USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 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 26 MET CE :methyl -130:sc= -4.02 (180deg=-3.89!) USER MOD Set 1.2: A 80 CYS SG : rot 170:sc= -0.887 USER MOD Set 1.3: A 88 THR OG1 : rot -134:sc= -0.959! USER MOD Set 2.1: A 62 HIS :FLIP no HD1:sc= 0.0185 F(o=-0.82,f=0.031) USER MOD Set 2.2: A 66 ASN : amide:sc= 0.0128 K(o=0.031,f=-0.82) USER MOD Set 3.1: A 27 SER OG : rot 98:sc= 0.335 USER MOD Set 3.2: A 61 THR OG1 : rot 97:sc= 0.352 USER MOD Set 4.1: A 48 THR OG1 : rot 180:sc= 0.14 USER MOD Set 4.2: A 49 THR OG1 : rot 119:sc= 1.27 USER MOD Single : A 10 THR OG1 : rot -19:sc= 0.404 USER MOD Single : A 11 SER OG : rot 153:sc= 1.22 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 62:sc= 0.399 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.57) USER MOD Single : A 32 GLN : amide:sc= -0.0884 X(o=-0.088,f=-0.53) USER MOD Single : A 33 CYS SG : rot 64:sc= 0.552 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.0955 F(o=-1.8!,f=-0.095) USER MOD Single : A 37 TYR OH : rot -130:sc= -0.403 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -110:sc= -3.87! USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= 0.919 (180deg=-0.536) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.708) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= -0.0134 (180deg=-0.118) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -99:sc= 1.19 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 1.33 (180deg=1.2) USER MOD Single : A 74 ASN : amide:sc= -1.9! C(o=-1.9!,f=-5.3!) USER MOD Single : A 81 ASN : amide:sc= -5! C(o=-5!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 154:sc= -0.873 (180deg=-3.67!) USER MOD Single : A 89 LYS NZ :NH3+ -154:sc= -0.112 (180deg=-0.546) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 1.14 (180deg=0.731) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc=-0.00318 (180deg=-0.0542) USER MOD Single : A 95 TYR OH : rot 23:sc= 0.372 USER MOD Single : A 96 MET CE :methyl 164:sc= -1.74 (180deg=-2.11!) USER MOD Single : A 97 GLN : amide:sc= 0.309 K(o=0.31,f=-1.2) USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= 0.552 (180deg=-1.51) USER MOD Single : A 103 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.971) USER MOD Single : A 106 LYS NZ :NH3+ -109:sc= 1.08 (180deg=-0.144) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -2.279 -23.328 2.969 1.00 0.00 N ATOM 2 CA THR A 10 -2.205 -22.810 4.331 1.00 0.00 C ATOM 3 C THR A 10 -2.075 -21.280 4.333 1.00 0.00 C ATOM 4 O THR A 10 -1.283 -20.688 5.068 1.00 0.00 O ATOM 5 CB THR A 10 -1.026 -23.472 5.078 1.00 0.00 C ATOM 6 OG1 THR A 10 0.112 -23.585 4.197 1.00 0.00 O ATOM 7 CG2 THR A 10 -1.409 -24.849 5.608 1.00 0.00 C ATOM 0 HA THR A 10 -3.130 -23.057 4.852 1.00 0.00 H new ATOM 0 HB THR A 10 -0.768 -22.841 5.929 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.187 -23.517 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.558 -25.288 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.247 -24.753 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.697 -25.492 4.776 1.00 0.00 H new ATOM 15 N SER A 11 -2.938 -20.658 3.590 1.00 0.00 N ATOM 16 CA SER A 11 -2.933 -19.226 3.352 1.00 0.00 C ATOM 17 C SER A 11 -3.410 -18.404 4.515 1.00 0.00 C ATOM 18 O SER A 11 -3.389 -17.185 4.452 1.00 0.00 O ATOM 19 CB SER A 11 -3.770 -18.969 2.175 1.00 0.00 C ATOM 20 OG SER A 11 -3.368 -19.810 1.101 1.00 0.00 O ATOM 0 H SER A 11 -3.698 -21.141 3.110 1.00 0.00 H new ATOM 0 HA SER A 11 -1.899 -18.920 3.194 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.817 -19.149 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.686 -17.923 1.880 1.00 0.00 H new ATOM 0 HG SER A 11 -4.132 -19.972 0.509 1.00 0.00 H new ATOM 26 N SER A 12 -3.851 -19.029 5.539 1.00 0.00 N ATOM 27 CA SER A 12 -4.189 -18.302 6.696 1.00 0.00 C ATOM 28 C SER A 12 -2.884 -17.875 7.369 1.00 0.00 C ATOM 29 O SER A 12 -2.663 -16.693 7.637 1.00 0.00 O ATOM 30 CB SER A 12 -5.063 -19.151 7.615 1.00 0.00 C ATOM 31 OG SER A 12 -5.492 -18.419 8.759 1.00 0.00 O ATOM 0 H SER A 12 -3.985 -20.038 5.599 1.00 0.00 H new ATOM 0 HA SER A 12 -4.772 -17.414 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.933 -19.506 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.506 -20.032 7.935 1.00 0.00 H new ATOM 0 HG SER A 12 -6.051 -18.993 9.324 1.00 0.00 H new ATOM 37 N GLU A 13 -1.985 -18.826 7.564 1.00 0.00 N ATOM 38 CA GLU A 13 -0.718 -18.573 8.221 1.00 0.00 C ATOM 39 C GLU A 13 0.306 -17.953 7.281 1.00 0.00 C ATOM 40 O GLU A 13 1.084 -17.093 7.685 1.00 0.00 O ATOM 41 CB GLU A 13 -0.176 -19.857 8.831 1.00 0.00 C ATOM 42 CG GLU A 13 -0.098 -21.014 7.857 1.00 0.00 C ATOM 43 CD GLU A 13 0.588 -22.198 8.446 1.00 0.00 C ATOM 44 OE1 GLU A 13 -0.053 -22.956 9.193 1.00 0.00 O ATOM 45 OE2 GLU A 13 1.781 -22.397 8.165 1.00 0.00 O ATOM 0 H GLU A 13 -2.115 -19.794 7.270 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.902 -17.849 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.819 -19.665 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.809 -20.144 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.105 -21.296 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.434 -20.697 6.960 1.00 0.00 H new ATOM 52 N LEU A 14 0.279 -18.393 6.016 1.00 0.00 N ATOM 53 CA LEU A 14 1.189 -17.920 4.958 1.00 0.00 C ATOM 54 C LEU A 14 1.066 -16.415 4.854 1.00 0.00 C ATOM 55 O LEU A 14 2.043 -15.676 4.799 1.00 0.00 O ATOM 56 CB LEU A 14 0.698 -18.534 3.618 1.00 0.00 C ATOM 57 CG LEU A 14 1.696 -18.680 2.435 1.00 0.00 C ATOM 58 CD1 LEU A 14 0.981 -19.254 1.239 1.00 0.00 C ATOM 59 CD2 LEU A 14 2.365 -17.371 2.043 1.00 0.00 C ATOM 0 H LEU A 14 -0.384 -19.097 5.692 1.00 0.00 H new ATOM 0 HA LEU A 14 2.219 -18.202 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.304 -19.526 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.138 -17.929 3.268 1.00 0.00 H new ATOM 0 HG LEU A 14 2.486 -19.350 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.682 -19.356 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.575 -20.233 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.168 -18.589 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.048 -17.546 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.605 -16.650 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.922 -16.978 2.894 1.00 0.00 H new ATOM 71 N ALA A 15 -0.151 -15.981 5.005 1.00 0.00 N ATOM 72 CA ALA A 15 -0.485 -14.654 4.752 1.00 0.00 C ATOM 73 C ALA A 15 -0.180 -13.773 5.917 1.00 0.00 C ATOM 74 O ALA A 15 -0.089 -12.585 5.763 1.00 0.00 O ATOM 75 CB ALA A 15 -1.881 -14.517 4.324 1.00 0.00 C ATOM 0 H ALA A 15 -0.931 -16.563 5.311 1.00 0.00 H new ATOM 0 HA ALA A 15 0.141 -14.321 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.103 -13.466 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.039 -15.090 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.540 -14.893 5.107 1.00 0.00 H new ATOM 81 N LYS A 16 0.028 -14.356 7.084 1.00 0.00 N ATOM 82 CA LYS A 16 0.409 -13.568 8.243 1.00 0.00 C ATOM 83 C LYS A 16 1.799 -13.014 7.993 1.00 0.00 C ATOM 84 O LYS A 16 2.175 -11.958 8.503 1.00 0.00 O ATOM 85 CB LYS A 16 0.397 -14.406 9.522 1.00 0.00 C ATOM 86 CG LYS A 16 -0.928 -15.086 9.818 1.00 0.00 C ATOM 87 CD LYS A 16 -2.066 -14.096 9.977 1.00 0.00 C ATOM 88 CE LYS A 16 -3.372 -14.826 10.235 1.00 0.00 C ATOM 89 NZ LYS A 16 -4.507 -13.902 10.378 1.00 0.00 N ATOM 0 H LYS A 16 -0.059 -15.358 7.254 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.310 -12.761 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.173 -15.168 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.658 -13.765 10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.165 -15.780 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.834 -15.676 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.853 -13.417 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.154 -13.487 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.569 -15.516 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.278 -15.426 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.377 -14.445 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.333 -13.260 11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.615 -13.347 9.505 1.00 0.00 H new ATOM 103 N LYS A 17 2.561 -13.759 7.217 1.00 0.00 N ATOM 104 CA LYS A 17 3.850 -13.321 6.757 1.00 0.00 C ATOM 105 C LYS A 17 3.663 -12.412 5.544 1.00 0.00 C ATOM 106 O LYS A 17 4.274 -11.344 5.454 1.00 0.00 O ATOM 107 CB LYS A 17 4.790 -14.498 6.407 1.00 0.00 C ATOM 108 CG LYS A 17 5.263 -15.361 7.587 1.00 0.00 C ATOM 109 CD LYS A 17 4.156 -16.203 8.216 1.00 0.00 C ATOM 110 CE LYS A 17 4.689 -17.016 9.384 1.00 0.00 C ATOM 111 NZ LYS A 17 3.640 -17.820 10.047 1.00 0.00 N ATOM 0 H LYS A 17 2.296 -14.688 6.890 1.00 0.00 H new ATOM 0 HA LYS A 17 4.328 -12.775 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.279 -15.144 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.669 -14.097 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.060 -16.022 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.692 -14.712 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.350 -15.554 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.732 -16.871 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.479 -17.678 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.140 -16.343 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.058 -18.354 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.898 -17.189 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.225 -18.483 9.361 1.00 0.00 H new ATOM 125 N SER A 18 2.767 -12.818 4.634 1.00 0.00 N ATOM 126 CA SER A 18 2.536 -12.088 3.399 1.00 0.00 C ATOM 127 C SER A 18 2.030 -10.683 3.636 1.00 0.00 C ATOM 128 O SER A 18 2.341 -9.819 2.876 1.00 0.00 O ATOM 129 CB SER A 18 1.591 -12.829 2.471 1.00 0.00 C ATOM 130 OG SER A 18 2.026 -14.158 2.272 1.00 0.00 O ATOM 0 H SER A 18 2.192 -13.654 4.739 1.00 0.00 H new ATOM 0 HA SER A 18 3.511 -12.013 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.586 -12.829 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.535 -12.312 1.513 1.00 0.00 H new ATOM 0 HG SER A 18 2.022 -14.635 3.128 1.00 0.00 H new ATOM 136 N LYS A 19 1.262 -10.451 4.700 1.00 0.00 N ATOM 137 CA LYS A 19 0.763 -9.111 4.975 1.00 0.00 C ATOM 138 C LYS A 19 1.903 -8.201 5.322 1.00 0.00 C ATOM 139 O LYS A 19 1.869 -7.054 4.988 1.00 0.00 O ATOM 140 CB LYS A 19 -0.278 -9.051 6.104 1.00 0.00 C ATOM 141 CG LYS A 19 -1.478 -10.000 5.987 1.00 0.00 C ATOM 142 CD LYS A 19 -2.663 -9.519 6.833 1.00 0.00 C ATOM 143 CE LYS A 19 -2.223 -9.086 8.215 1.00 0.00 C ATOM 144 NZ LYS A 19 -3.345 -8.616 9.058 1.00 0.00 N ATOM 0 H LYS A 19 0.977 -11.162 5.373 1.00 0.00 H new ATOM 0 HA LYS A 19 0.263 -8.789 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.230 -9.259 7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.656 -8.030 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.782 -10.075 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.184 -11.000 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.155 -8.687 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.398 -10.319 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.728 -9.921 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.486 -8.288 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.983 -8.333 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.804 -7.801 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.038 -9.383 9.173 1.00 0.00 H new ATOM 158 N GLU A 20 2.928 -8.742 5.948 1.00 0.00 N ATOM 159 CA GLU A 20 4.091 -7.959 6.349 1.00 0.00 C ATOM 160 C GLU A 20 4.921 -7.668 5.145 1.00 0.00 C ATOM 161 O GLU A 20 5.319 -6.526 4.912 1.00 0.00 O ATOM 162 CB GLU A 20 4.915 -8.715 7.356 1.00 0.00 C ATOM 163 CG GLU A 20 4.090 -9.197 8.489 1.00 0.00 C ATOM 164 CD GLU A 20 3.432 -8.070 9.254 1.00 0.00 C ATOM 165 OE1 GLU A 20 4.131 -7.306 9.955 1.00 0.00 O ATOM 166 OE2 GLU A 20 2.201 -7.950 9.192 1.00 0.00 O ATOM 0 H GLU A 20 2.984 -9.730 6.194 1.00 0.00 H new ATOM 0 HA GLU A 20 3.753 -7.028 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.396 -9.564 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.710 -8.071 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.321 -9.872 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.716 -9.775 9.169 1.00 0.00 H new ATOM 173 N VAL A 21 5.132 -8.704 4.349 1.00 0.00 N ATOM 174 CA VAL A 21 5.867 -8.587 3.115 1.00 0.00 C ATOM 175 C VAL A 21 5.140 -7.606 2.220 1.00 0.00 C ATOM 176 O VAL A 21 5.747 -6.681 1.685 1.00 0.00 O ATOM 177 CB VAL A 21 6.017 -9.963 2.405 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.735 -9.820 1.069 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.769 -10.943 3.294 1.00 0.00 C ATOM 0 H VAL A 21 4.796 -9.646 4.547 1.00 0.00 H new ATOM 0 HA VAL A 21 6.874 -8.229 3.330 1.00 0.00 H new ATOM 0 HB VAL A 21 5.015 -10.349 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.824 -10.799 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.166 -9.155 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.729 -9.404 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.864 -11.900 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.761 -10.548 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.221 -11.084 4.226 1.00 0.00 H new ATOM 189 N PHE A 22 3.826 -7.731 2.195 1.00 0.00 N ATOM 190 CA PHE A 22 2.974 -6.889 1.373 1.00 0.00 C ATOM 191 C PHE A 22 3.023 -5.470 1.844 1.00 0.00 C ATOM 192 O PHE A 22 3.319 -4.563 1.061 1.00 0.00 O ATOM 193 CB PHE A 22 1.510 -7.391 1.381 1.00 0.00 C ATOM 194 CG PHE A 22 0.503 -6.316 1.052 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.444 -5.753 -0.201 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.346 -5.840 2.029 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.447 -4.734 -0.475 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.234 -4.836 1.759 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.292 -4.277 0.513 1.00 0.00 C ATOM 0 H PHE A 22 3.317 -8.422 2.746 1.00 0.00 H new ATOM 0 HA PHE A 22 3.351 -6.940 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.409 -8.204 0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.281 -7.804 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.101 -6.111 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.309 -6.266 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.481 -4.296 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.895 -4.482 2.536 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.994 -3.484 0.305 1.00 0.00 H new ATOM 209 N ARG A 23 2.747 -5.276 3.126 1.00 0.00 N ATOM 210 CA ARG A 23 2.734 -3.948 3.684 1.00 0.00 C ATOM 211 C ARG A 23 4.090 -3.286 3.527 1.00 0.00 C ATOM 212 O ARG A 23 4.163 -2.105 3.374 1.00 0.00 O ATOM 213 CB ARG A 23 2.221 -3.929 5.147 1.00 0.00 C ATOM 214 CG ARG A 23 3.147 -4.539 6.202 1.00 0.00 C ATOM 215 CD ARG A 23 4.123 -3.532 6.777 1.00 0.00 C ATOM 216 NE ARG A 23 3.441 -2.408 7.428 1.00 0.00 N ATOM 217 CZ ARG A 23 4.063 -1.384 8.016 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.377 -1.406 8.163 1.00 0.00 N ATOM 219 NH2 ARG A 23 3.371 -0.358 8.484 1.00 0.00 N ATOM 0 H ARG A 23 2.532 -6.021 3.788 1.00 0.00 H new ATOM 0 HA ARG A 23 2.017 -3.355 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.021 -2.894 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.269 -4.458 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.546 -4.957 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.703 -5.365 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.771 -4.029 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.764 -3.154 5.980 1.00 0.00 H new ATOM 0 HE ARG A 23 2.421 -2.409 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.914 -2.205 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.853 -0.624 8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.355 -0.346 8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.854 0.421 8.932 1.00 0.00 H new ATOM 233 N LYS A 24 5.155 -4.077 3.497 1.00 0.00 N ATOM 234 CA LYS A 24 6.487 -3.540 3.342 1.00 0.00 C ATOM 235 C LYS A 24 6.681 -3.036 1.926 1.00 0.00 C ATOM 236 O LYS A 24 7.144 -1.908 1.726 1.00 0.00 O ATOM 237 CB LYS A 24 7.564 -4.572 3.680 1.00 0.00 C ATOM 238 CG LYS A 24 9.007 -4.071 3.483 1.00 0.00 C ATOM 239 CD LYS A 24 9.353 -2.904 4.407 1.00 0.00 C ATOM 240 CE LYS A 24 9.308 -3.325 5.858 1.00 0.00 C ATOM 241 NZ LYS A 24 9.673 -2.228 6.771 1.00 0.00 N ATOM 0 H LYS A 24 5.115 -5.093 3.579 1.00 0.00 H new ATOM 0 HA LYS A 24 6.591 -2.713 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.439 -4.884 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.411 -5.456 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.701 -4.892 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.143 -3.762 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.347 -2.527 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.653 -2.085 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.306 -3.678 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.987 -4.164 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.628 -2.565 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.639 -1.907 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.010 -1.437 6.645 1.00 0.00 H new ATOM 255 N GLU A 25 6.278 -3.858 0.945 1.00 0.00 N ATOM 256 CA GLU A 25 6.430 -3.507 -0.467 1.00 0.00 C ATOM 257 C GLU A 25 5.650 -2.276 -0.698 1.00 0.00 C ATOM 258 O GLU A 25 6.123 -1.311 -1.232 1.00 0.00 O ATOM 259 CB GLU A 25 5.773 -4.507 -1.331 1.00 0.00 C ATOM 260 CG GLU A 25 6.125 -5.899 -1.098 1.00 0.00 C ATOM 261 CD GLU A 25 7.315 -6.330 -1.879 1.00 0.00 C ATOM 262 OE1 GLU A 25 8.440 -6.113 -1.427 1.00 0.00 O ATOM 263 OE2 GLU A 25 7.145 -6.869 -2.987 1.00 0.00 O ATOM 0 H GLU A 25 5.846 -4.767 1.108 1.00 0.00 H new ATOM 0 HA GLU A 25 7.494 -3.425 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.694 -4.404 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.004 -4.266 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.320 -6.047 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.277 -6.532 -1.358 1.00 0.00 H new ATOM 270 N MET A 26 4.428 -2.350 -0.285 1.00 0.00 N ATOM 271 CA MET A 26 3.481 -1.274 -0.474 1.00 0.00 C ATOM 272 C MET A 26 3.897 -0.001 0.244 1.00 0.00 C ATOM 273 O MET A 26 3.753 1.050 -0.308 1.00 0.00 O ATOM 274 CB MET A 26 2.118 -1.709 -0.044 1.00 0.00 C ATOM 275 CG MET A 26 1.001 -0.701 -0.301 1.00 0.00 C ATOM 276 SD MET A 26 -0.093 -1.076 -1.703 1.00 0.00 S ATOM 277 CE MET A 26 0.995 -1.135 -3.139 1.00 0.00 C ATOM 0 H MET A 26 4.044 -3.162 0.199 1.00 0.00 H new ATOM 0 HA MET A 26 3.461 -1.038 -1.538 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.872 -2.638 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.145 -1.932 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.393 -0.623 0.600 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.451 0.278 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.583 -0.512 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.982 -0.765 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.078 -2.163 -3.491 1.00 0.00 H new ATOM 287 N SER A 27 4.428 -0.112 1.448 1.00 0.00 N ATOM 288 CA SER A 27 4.892 1.049 2.162 1.00 0.00 C ATOM 289 C SER A 27 5.999 1.684 1.396 1.00 0.00 C ATOM 290 O SER A 27 6.013 2.870 1.231 1.00 0.00 O ATOM 291 CB SER A 27 5.375 0.735 3.589 1.00 0.00 C ATOM 292 OG SER A 27 4.323 0.257 4.410 1.00 0.00 O ATOM 0 H SER A 27 4.546 -0.995 1.945 1.00 0.00 H new ATOM 0 HA SER A 27 4.042 1.724 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.170 -0.010 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.803 1.634 4.033 1.00 0.00 H new ATOM 0 HG SER A 27 4.355 -0.722 4.446 1.00 0.00 H new ATOM 298 N GLN A 28 6.880 0.873 0.844 1.00 0.00 N ATOM 299 CA GLN A 28 8.055 1.419 0.174 1.00 0.00 C ATOM 300 C GLN A 28 7.661 1.992 -1.152 1.00 0.00 C ATOM 301 O GLN A 28 8.159 3.039 -1.589 1.00 0.00 O ATOM 302 CB GLN A 28 9.140 0.357 0.038 1.00 0.00 C ATOM 303 CG GLN A 28 9.001 -0.632 -1.095 1.00 0.00 C ATOM 304 CD GLN A 28 10.109 -1.660 -1.125 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.234 -1.402 -0.688 1.00 0.00 O ATOM 306 NE2 GLN A 28 9.825 -2.813 -1.668 1.00 0.00 N ATOM 0 H GLN A 28 6.813 -0.145 0.842 1.00 0.00 H new ATOM 0 HA GLN A 28 8.473 2.225 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.098 0.865 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.183 -0.203 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.042 -1.143 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.989 -0.092 -2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.885 -2.993 -2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.544 -3.533 -1.741 1.00 0.00 H new ATOM 315 N PHE A 29 6.763 1.299 -1.766 1.00 0.00 N ATOM 316 CA PHE A 29 6.155 1.696 -3.017 1.00 0.00 C ATOM 317 C PHE A 29 5.432 3.035 -2.845 1.00 0.00 C ATOM 318 O PHE A 29 5.653 3.967 -3.604 1.00 0.00 O ATOM 319 CB PHE A 29 5.196 0.594 -3.485 1.00 0.00 C ATOM 320 CG PHE A 29 4.433 0.884 -4.730 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.995 0.660 -5.967 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.137 1.359 -4.661 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.277 0.907 -7.110 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.421 1.597 -5.801 1.00 0.00 C ATOM 325 CZ PHE A 29 2.988 1.374 -7.012 1.00 0.00 C ATOM 0 H PHE A 29 6.412 0.410 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 29 6.923 1.830 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.770 -0.320 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.485 0.393 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.006 0.288 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.686 1.544 -3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.721 0.736 -8.079 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.406 1.962 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.420 1.566 -7.910 1.00 0.00 H new ATOM 335 N ILE A 30 4.596 3.114 -1.833 1.00 0.00 N ATOM 336 CA ILE A 30 3.846 4.315 -1.515 1.00 0.00 C ATOM 337 C ILE A 30 4.757 5.426 -1.112 1.00 0.00 C ATOM 338 O ILE A 30 4.585 6.542 -1.564 1.00 0.00 O ATOM 339 CB ILE A 30 2.776 4.066 -0.433 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.678 3.190 -1.023 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.208 5.387 0.096 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.681 2.699 -0.025 1.00 0.00 C ATOM 0 H ILE A 30 4.414 2.337 -1.198 1.00 0.00 H new ATOM 0 HA ILE A 30 3.322 4.610 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 30 3.230 3.554 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.155 3.754 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.138 2.331 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.456 5.181 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.012 5.980 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.751 5.941 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.065 2.084 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.189 2.105 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.190 3.550 0.448 1.00 0.00 H new ATOM 354 N VAL A 31 5.719 5.128 -0.261 1.00 0.00 N ATOM 355 CA VAL A 31 6.739 6.103 0.102 1.00 0.00 C ATOM 356 C VAL A 31 7.361 6.703 -1.155 1.00 0.00 C ATOM 357 O VAL A 31 7.422 7.924 -1.294 1.00 0.00 O ATOM 358 CB VAL A 31 7.826 5.473 1.032 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.083 6.326 1.112 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.257 5.300 2.435 1.00 0.00 C ATOM 0 H VAL A 31 5.819 4.221 0.194 1.00 0.00 H new ATOM 0 HA VAL A 31 6.263 6.905 0.667 1.00 0.00 H new ATOM 0 HB VAL A 31 8.101 4.509 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.807 5.846 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.513 6.434 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.830 7.310 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.015 4.861 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.961 6.272 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.388 4.644 2.397 1.00 0.00 H new ATOM 370 N GLN A 32 7.731 5.844 -2.094 1.00 0.00 N ATOM 371 CA GLN A 32 8.304 6.265 -3.347 1.00 0.00 C ATOM 372 C GLN A 32 7.310 7.119 -4.132 1.00 0.00 C ATOM 373 O GLN A 32 7.664 8.133 -4.712 1.00 0.00 O ATOM 374 CB GLN A 32 8.675 5.038 -4.160 1.00 0.00 C ATOM 375 CG GLN A 32 9.339 5.361 -5.463 1.00 0.00 C ATOM 376 CD GLN A 32 10.643 6.121 -5.289 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.366 5.946 -4.303 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.935 6.988 -6.211 1.00 0.00 N ATOM 0 H GLN A 32 7.638 4.833 -2.000 1.00 0.00 H new ATOM 0 HA GLN A 32 9.193 6.864 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.340 4.408 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.774 4.456 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.533 4.436 -6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.658 5.953 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.316 7.108 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.783 7.549 -6.133 1.00 0.00 H new ATOM 387 N CYS A 33 6.070 6.691 -4.123 1.00 0.00 N ATOM 388 CA CYS A 33 4.992 7.387 -4.780 1.00 0.00 C ATOM 389 C CYS A 33 4.774 8.770 -4.184 1.00 0.00 C ATOM 390 O CYS A 33 4.457 9.696 -4.898 1.00 0.00 O ATOM 391 CB CYS A 33 3.707 6.575 -4.679 1.00 0.00 C ATOM 392 SG CYS A 33 3.746 5.007 -5.569 1.00 0.00 S ATOM 0 H CYS A 33 5.778 5.835 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 33 5.266 7.510 -5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.498 6.377 -3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.881 7.175 -5.061 1.00 0.00 H new ATOM 0 HG CYS A 33 4.648 4.232 -5.043 1.00 0.00 H new ATOM 398 N LEU A 34 4.936 8.880 -2.883 1.00 0.00 N ATOM 399 CA LEU A 34 4.785 10.136 -2.159 1.00 0.00 C ATOM 400 C LEU A 34 6.023 11.019 -2.265 1.00 0.00 C ATOM 401 O LEU A 34 5.954 12.215 -1.984 1.00 0.00 O ATOM 402 CB LEU A 34 4.468 9.885 -0.699 1.00 0.00 C ATOM 403 CG LEU A 34 3.181 9.147 -0.398 1.00 0.00 C ATOM 404 CD1 LEU A 34 3.064 8.920 1.092 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.991 9.929 -0.891 1.00 0.00 C ATOM 0 H LEU A 34 5.180 8.091 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 34 3.954 10.663 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.293 9.321 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.436 10.847 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 34 3.200 8.187 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.137 8.389 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.911 8.327 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.060 9.881 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.076 9.381 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.964 10.900 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.071 10.072 -1.969 1.00 0.00 H new ATOM 417 N ASN A 35 7.170 10.420 -2.600 1.00 0.00 N ATOM 418 CA ASN A 35 8.414 11.186 -2.866 1.00 0.00 C ATOM 419 C ASN A 35 8.226 12.479 -3.692 1.00 0.00 C ATOM 420 O ASN A 35 8.682 13.535 -3.272 1.00 0.00 O ATOM 421 CB ASN A 35 9.524 10.328 -3.478 1.00 0.00 C ATOM 422 CG ASN A 35 10.341 9.706 -2.440 1.00 0.00 C ATOM 423 OD1 ASN A 35 9.717 9.376 -1.386 1.00 0.00 O flip ATOM 424 ND2 ASN A 35 11.541 9.510 -2.600 1.00 0.00 N flip ATOM 0 H ASN A 35 7.273 9.410 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 35 8.723 11.503 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.085 9.556 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.153 10.945 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.993 9.796 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.087 9.061 -1.865 1.00 0.00 H new ATOM 431 N PRO A 36 7.541 12.438 -4.870 1.00 0.00 N ATOM 432 CA PRO A 36 7.295 13.647 -5.661 1.00 0.00 C ATOM 433 C PRO A 36 6.325 14.621 -4.987 1.00 0.00 C ATOM 434 O PRO A 36 6.276 15.795 -5.333 1.00 0.00 O ATOM 435 CB PRO A 36 6.704 13.131 -6.971 1.00 0.00 C ATOM 436 CG PRO A 36 6.173 11.787 -6.661 1.00 0.00 C ATOM 437 CD PRO A 36 7.018 11.236 -5.555 1.00 0.00 C ATOM 0 HA PRO A 36 8.216 14.216 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.915 13.791 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.463 13.083 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.128 11.844 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.215 11.142 -7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.433 10.614 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.825 10.614 -5.942 1.00 0.00 H new ATOM 445 N TYR A 37 5.595 14.145 -4.016 1.00 0.00 N ATOM 446 CA TYR A 37 4.622 14.969 -3.341 1.00 0.00 C ATOM 447 C TYR A 37 5.266 15.755 -2.240 1.00 0.00 C ATOM 448 O TYR A 37 4.850 16.842 -1.925 1.00 0.00 O ATOM 449 CB TYR A 37 3.454 14.138 -2.808 1.00 0.00 C ATOM 450 CG TYR A 37 2.615 13.506 -3.890 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.010 12.341 -4.496 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.427 14.082 -4.301 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.267 11.761 -5.488 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.662 13.512 -5.287 1.00 0.00 C ATOM 455 CZ TYR A 37 1.087 12.351 -5.887 1.00 0.00 C ATOM 456 OH TYR A 37 0.335 11.783 -6.902 1.00 0.00 O ATOM 0 H TYR A 37 5.654 13.187 -3.671 1.00 0.00 H new ATOM 0 HA TYR A 37 4.218 15.669 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.844 13.354 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.818 14.774 -2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.930 11.870 -4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.095 14.999 -3.837 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.603 10.847 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.267 13.972 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 37 0.110 12.469 -7.565 1.00 0.00 H new ATOM 466 N ARG A 38 6.334 15.231 -1.688 1.00 0.00 N ATOM 467 CA ARG A 38 7.020 15.917 -0.587 1.00 0.00 C ATOM 468 C ARG A 38 8.014 16.933 -1.128 1.00 0.00 C ATOM 469 O ARG A 38 8.742 17.600 -0.373 1.00 0.00 O ATOM 470 CB ARG A 38 7.724 14.933 0.319 1.00 0.00 C ATOM 471 CG ARG A 38 8.858 14.213 -0.351 1.00 0.00 C ATOM 472 CD ARG A 38 9.576 13.330 0.621 1.00 0.00 C ATOM 473 NE ARG A 38 10.771 12.710 0.047 1.00 0.00 N ATOM 474 CZ ARG A 38 11.631 11.939 0.725 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.439 11.687 2.019 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.702 11.460 0.110 1.00 0.00 N ATOM 0 H ARG A 38 6.753 14.344 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 38 6.264 16.439 0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.105 15.463 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.001 14.201 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.477 13.615 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.554 14.937 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.860 13.915 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.897 12.550 0.966 1.00 0.00 H new ATOM 0 HE ARG A 38 10.963 12.877 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.632 12.082 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.099 11.099 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.867 11.679 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.362 10.872 0.619 1.00 0.00 H new ATOM 490 N LYS A 39 8.054 17.013 -2.423 1.00 0.00 N ATOM 491 CA LYS A 39 8.863 17.962 -3.122 1.00 0.00 C ATOM 492 C LYS A 39 8.236 19.327 -2.954 1.00 0.00 C ATOM 493 O LYS A 39 7.031 19.468 -3.075 1.00 0.00 O ATOM 494 CB LYS A 39 8.915 17.620 -4.612 1.00 0.00 C ATOM 495 CG LYS A 39 9.554 16.282 -5.002 1.00 0.00 C ATOM 496 CD LYS A 39 11.063 16.253 -4.808 1.00 0.00 C ATOM 497 CE LYS A 39 11.501 15.932 -3.386 1.00 0.00 C ATOM 498 NZ LYS A 39 12.962 15.988 -3.258 1.00 0.00 N ATOM 0 H LYS A 39 7.512 16.405 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 39 9.877 17.945 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.895 17.632 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.458 18.415 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.104 15.486 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.325 16.069 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.491 15.513 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.474 17.221 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.045 16.639 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.146 14.940 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.234 15.765 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.394 15.296 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.295 16.943 -3.501 1.00 0.00 H new ATOM 512 N PRO A 40 9.033 20.352 -2.691 1.00 0.00 N ATOM 513 CA PRO A 40 8.529 21.719 -2.502 1.00 0.00 C ATOM 514 C PRO A 40 7.983 22.315 -3.808 1.00 0.00 C ATOM 515 O PRO A 40 7.351 23.365 -3.812 1.00 0.00 O ATOM 516 CB PRO A 40 9.768 22.486 -2.041 1.00 0.00 C ATOM 517 CG PRO A 40 10.904 21.716 -2.609 1.00 0.00 C ATOM 518 CD PRO A 40 10.494 20.281 -2.546 1.00 0.00 C ATOM 0 HA PRO A 40 7.699 21.761 -1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.760 23.513 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.824 22.536 -0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.108 22.020 -3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.817 21.887 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.951 19.695 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.785 19.818 -1.603 1.00 0.00 H new ATOM 526 N ASP A 41 8.236 21.633 -4.906 1.00 0.00 N ATOM 527 CA ASP A 41 7.792 22.034 -6.187 1.00 0.00 C ATOM 528 C ASP A 41 6.585 21.211 -6.622 1.00 0.00 C ATOM 529 O ASP A 41 6.111 21.367 -7.730 1.00 0.00 O ATOM 530 CB ASP A 41 8.914 21.832 -7.180 1.00 0.00 C ATOM 531 CG ASP A 41 9.330 20.382 -7.339 1.00 0.00 C ATOM 532 OD1 ASP A 41 10.104 19.882 -6.493 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.922 19.734 -8.333 1.00 0.00 O ATOM 0 H ASP A 41 8.771 20.765 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 41 7.502 23.084 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.604 22.221 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.778 22.417 -6.863 1.00 0.00 H new ATOM 538 N CYS A 42 6.109 20.335 -5.739 1.00 0.00 N ATOM 539 CA CYS A 42 4.955 19.474 -6.025 1.00 0.00 C ATOM 540 C CYS A 42 3.743 20.299 -6.447 1.00 0.00 C ATOM 541 O CYS A 42 3.475 21.373 -5.875 1.00 0.00 O ATOM 542 CB CYS A 42 4.618 18.594 -4.828 1.00 0.00 C ATOM 543 SG CYS A 42 3.206 17.496 -5.055 1.00 0.00 S ATOM 0 H CYS A 42 6.507 20.200 -4.810 1.00 0.00 H new ATOM 0 HA CYS A 42 5.226 18.824 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.492 17.990 -4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.424 19.236 -3.969 1.00 0.00 H new ATOM 0 HG CYS A 42 2.217 17.902 -4.315 1.00 0.00 H new ATOM 549 N LYS A 43 3.038 19.814 -7.452 1.00 0.00 N ATOM 550 CA LYS A 43 1.902 20.515 -8.014 1.00 0.00 C ATOM 551 C LYS A 43 0.681 20.361 -7.137 1.00 0.00 C ATOM 552 O LYS A 43 -0.001 21.343 -6.816 1.00 0.00 O ATOM 553 CB LYS A 43 1.558 19.974 -9.416 1.00 0.00 C ATOM 554 CG LYS A 43 2.622 20.119 -10.515 1.00 0.00 C ATOM 555 CD LYS A 43 2.957 21.578 -10.834 1.00 0.00 C ATOM 556 CE LYS A 43 4.127 22.095 -10.025 1.00 0.00 C ATOM 557 NZ LYS A 43 5.380 21.408 -10.383 1.00 0.00 N ATOM 0 H LYS A 43 3.239 18.921 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 43 2.179 21.567 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.318 18.915 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.652 20.476 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.530 19.603 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.270 19.626 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.184 21.671 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.083 22.199 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.239 23.167 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.926 21.955 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.853 21.075 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.167 20.595 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.006 22.068 -10.887 1.00 0.00 H new ATOM 571 N VAL A 44 0.416 19.137 -6.741 1.00 0.00 N ATOM 572 CA VAL A 44 -0.802 18.802 -6.029 1.00 0.00 C ATOM 573 C VAL A 44 -0.481 17.823 -4.921 1.00 0.00 C ATOM 574 O VAL A 44 0.188 16.826 -5.161 1.00 0.00 O ATOM 575 CB VAL A 44 -1.867 18.153 -6.984 1.00 0.00 C ATOM 576 CG1 VAL A 44 -3.129 17.773 -6.235 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.221 19.073 -8.146 1.00 0.00 C ATOM 0 H VAL A 44 1.037 18.344 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.218 19.724 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.410 17.248 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.843 17.327 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.885 17.054 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.568 18.664 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.960 18.587 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.632 20.006 -7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.324 19.285 -8.728 1.00 0.00 H new ATOM 587 N GLY A 45 -0.971 18.105 -3.733 1.00 0.00 N ATOM 588 CA GLY A 45 -0.731 17.256 -2.596 1.00 0.00 C ATOM 589 C GLY A 45 0.700 17.354 -2.120 1.00 0.00 C ATOM 590 O GLY A 45 1.345 16.358 -1.874 1.00 0.00 O ATOM 0 H GLY A 45 -1.543 18.925 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.404 17.534 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.958 16.223 -2.859 1.00 0.00 H new ATOM 594 N ARG A 46 1.203 18.556 -1.994 1.00 0.00 N ATOM 595 CA ARG A 46 2.563 18.768 -1.571 1.00 0.00 C ATOM 596 C ARG A 46 2.693 18.500 -0.076 1.00 0.00 C ATOM 597 O ARG A 46 2.063 19.161 0.737 1.00 0.00 O ATOM 598 CB ARG A 46 2.951 20.192 -1.917 1.00 0.00 C ATOM 599 CG ARG A 46 4.398 20.557 -1.698 1.00 0.00 C ATOM 600 CD ARG A 46 4.712 21.858 -2.421 1.00 0.00 C ATOM 601 NE ARG A 46 3.903 22.978 -1.937 1.00 0.00 N ATOM 602 CZ ARG A 46 3.093 23.749 -2.702 1.00 0.00 C ATOM 603 NH1 ARG A 46 2.927 23.483 -4.004 1.00 0.00 N ATOM 604 NH2 ARG A 46 2.447 24.778 -2.156 1.00 0.00 N ATOM 0 H ARG A 46 0.682 19.413 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 46 3.236 18.080 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.707 20.369 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.333 20.869 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.599 20.664 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.044 19.760 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.768 22.095 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.542 21.726 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 46 3.953 23.196 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.413 22.693 -4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.315 24.070 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.563 24.984 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.837 25.360 -2.730 1.00 0.00 H new ATOM 618 N ILE A 47 3.474 17.521 0.266 1.00 0.00 N ATOM 619 CA ILE A 47 3.651 17.126 1.638 1.00 0.00 C ATOM 620 C ILE A 47 4.508 18.113 2.394 1.00 0.00 C ATOM 621 O ILE A 47 5.632 18.444 1.988 1.00 0.00 O ATOM 622 CB ILE A 47 4.188 15.676 1.781 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.239 14.702 1.056 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.350 15.313 3.245 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.692 13.267 1.044 1.00 0.00 C ATOM 0 H ILE A 47 4.012 16.967 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 47 2.660 17.133 2.091 1.00 0.00 H new ATOM 0 HB ILE A 47 5.172 15.604 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.258 14.754 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.115 15.037 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.727 14.294 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.054 16.000 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.385 15.384 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.960 12.659 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.657 13.194 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.787 12.907 2.068 1.00 0.00 H new ATOM 637 N THR A 48 3.934 18.616 3.444 1.00 0.00 N ATOM 638 CA THR A 48 4.551 19.547 4.336 1.00 0.00 C ATOM 639 C THR A 48 5.740 18.974 5.073 1.00 0.00 C ATOM 640 O THR A 48 6.892 19.363 4.841 1.00 0.00 O ATOM 641 CB THR A 48 3.515 19.969 5.368 1.00 0.00 C ATOM 642 OG1 THR A 48 2.721 18.812 5.726 1.00 0.00 O ATOM 643 CG2 THR A 48 2.627 20.999 4.806 1.00 0.00 C ATOM 0 H THR A 48 2.980 18.377 3.714 1.00 0.00 H new ATOM 0 HA THR A 48 4.912 20.382 3.736 1.00 0.00 H new ATOM 0 HB THR A 48 4.022 20.374 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.050 19.069 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.891 21.292 5.554 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.216 21.869 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.115 20.600 3.930 1.00 0.00 H new ATOM 651 N THR A 49 5.472 18.012 5.898 1.00 0.00 N ATOM 652 CA THR A 49 6.460 17.554 6.817 1.00 0.00 C ATOM 653 C THR A 49 6.799 16.123 6.529 1.00 0.00 C ATOM 654 O THR A 49 5.975 15.387 6.008 1.00 0.00 O ATOM 655 CB THR A 49 5.920 17.633 8.264 1.00 0.00 C ATOM 656 OG1 THR A 49 5.059 18.764 8.401 1.00 0.00 O ATOM 657 CG2 THR A 49 7.061 17.770 9.264 1.00 0.00 C ATOM 0 H THR A 49 4.575 17.529 5.953 1.00 0.00 H new ATOM 0 HA THR A 49 7.343 18.184 6.710 1.00 0.00 H new ATOM 0 HB THR A 49 5.372 16.713 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.159 18.462 8.643 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.655 17.824 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.721 16.906 9.184 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.625 18.678 9.051 1.00 0.00 H new ATOM 665 N THR A 50 7.990 15.739 6.861 1.00 0.00 N ATOM 666 CA THR A 50 8.410 14.373 6.782 1.00 0.00 C ATOM 667 C THR A 50 7.493 13.491 7.641 1.00 0.00 C ATOM 668 O THR A 50 7.094 12.423 7.229 1.00 0.00 O ATOM 669 CB THR A 50 9.881 14.273 7.250 1.00 0.00 C ATOM 670 OG1 THR A 50 10.396 12.937 7.127 1.00 0.00 O ATOM 671 CG2 THR A 50 10.072 14.792 8.668 1.00 0.00 C ATOM 0 H THR A 50 8.712 16.375 7.201 1.00 0.00 H new ATOM 0 HA THR A 50 8.343 14.019 5.753 1.00 0.00 H new ATOM 0 HB THR A 50 10.454 14.916 6.583 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.327 12.916 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.121 14.701 8.951 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.773 15.839 8.716 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.459 14.208 9.355 1.00 0.00 H new ATOM 679 N GLU A 51 7.124 13.997 8.812 1.00 0.00 N ATOM 680 CA GLU A 51 6.196 13.320 9.712 1.00 0.00 C ATOM 681 C GLU A 51 4.855 13.133 9.040 1.00 0.00 C ATOM 682 O GLU A 51 4.219 12.094 9.181 1.00 0.00 O ATOM 683 CB GLU A 51 6.012 14.113 10.973 1.00 0.00 C ATOM 684 CG GLU A 51 7.269 14.316 11.771 1.00 0.00 C ATOM 685 CD GLU A 51 7.010 15.162 12.968 1.00 0.00 C ATOM 686 OE1 GLU A 51 6.425 14.664 13.940 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.345 16.358 12.951 1.00 0.00 O ATOM 0 H GLU A 51 7.461 14.892 9.166 1.00 0.00 H new ATOM 0 HA GLU A 51 6.616 12.345 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.598 15.088 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.276 13.609 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.666 13.350 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.029 14.786 11.146 1.00 0.00 H new ATOM 694 N ASP A 52 4.457 14.119 8.275 1.00 0.00 N ATOM 695 CA ASP A 52 3.199 14.082 7.553 1.00 0.00 C ATOM 696 C ASP A 52 3.287 13.096 6.432 1.00 0.00 C ATOM 697 O ASP A 52 2.356 12.331 6.190 1.00 0.00 O ATOM 698 CB ASP A 52 2.852 15.474 7.013 1.00 0.00 C ATOM 699 CG ASP A 52 2.250 16.394 8.052 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.009 16.386 8.236 1.00 0.00 O ATOM 701 OD2 ASP A 52 2.994 17.151 8.691 1.00 0.00 O ATOM 0 H ASP A 52 4.994 14.974 8.132 1.00 0.00 H new ATOM 0 HA ASP A 52 2.408 13.772 8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.755 15.934 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.152 15.369 6.184 1.00 0.00 H new ATOM 706 N PHE A 53 4.433 13.088 5.789 1.00 0.00 N ATOM 707 CA PHE A 53 4.754 12.152 4.743 1.00 0.00 C ATOM 708 C PHE A 53 4.616 10.704 5.293 1.00 0.00 C ATOM 709 O PHE A 53 3.923 9.862 4.723 1.00 0.00 O ATOM 710 CB PHE A 53 6.194 12.423 4.263 1.00 0.00 C ATOM 711 CG PHE A 53 6.747 11.432 3.293 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.352 10.273 3.740 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.667 11.655 1.949 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.856 9.363 2.860 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.174 10.750 1.056 1.00 0.00 C ATOM 716 CZ PHE A 53 7.767 9.604 1.507 1.00 0.00 C ATOM 0 H PHE A 53 5.184 13.750 5.986 1.00 0.00 H new ATOM 0 HA PHE A 53 4.072 12.267 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.225 13.411 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.848 12.456 5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.426 10.086 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.198 12.557 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.322 8.458 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.106 10.941 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.165 8.888 0.803 1.00 0.00 H new ATOM 726 N LYS A 54 5.264 10.471 6.417 1.00 0.00 N ATOM 727 CA LYS A 54 5.283 9.186 7.104 1.00 0.00 C ATOM 728 C LYS A 54 3.895 8.748 7.534 1.00 0.00 C ATOM 729 O LYS A 54 3.509 7.581 7.338 1.00 0.00 O ATOM 730 CB LYS A 54 6.204 9.303 8.316 1.00 0.00 C ATOM 731 CG LYS A 54 7.650 9.530 7.916 1.00 0.00 C ATOM 732 CD LYS A 54 8.516 9.996 9.066 1.00 0.00 C ATOM 733 CE LYS A 54 8.620 8.980 10.175 1.00 0.00 C ATOM 734 NZ LYS A 54 9.545 9.442 11.227 1.00 0.00 N ATOM 0 H LYS A 54 5.809 11.189 6.895 1.00 0.00 H new ATOM 0 HA LYS A 54 5.651 8.425 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.869 10.127 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.132 8.394 8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.059 8.604 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.688 10.270 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.515 10.222 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.108 10.924 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.634 8.802 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.968 8.029 9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.600 8.726 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.490 9.589 10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.198 10.337 11.626 1.00 0.00 H new ATOM 748 N HIS A 55 3.134 9.694 8.055 1.00 0.00 N ATOM 749 CA HIS A 55 1.772 9.463 8.545 1.00 0.00 C ATOM 750 C HIS A 55 0.880 9.044 7.401 1.00 0.00 C ATOM 751 O HIS A 55 0.089 8.094 7.508 1.00 0.00 O ATOM 752 CB HIS A 55 1.234 10.748 9.196 1.00 0.00 C ATOM 753 CG HIS A 55 -0.172 10.665 9.744 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.463 10.231 11.017 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.368 10.980 9.175 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.759 10.270 11.215 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.341 10.725 10.114 1.00 0.00 N ATOM 0 H HIS A 55 3.442 10.661 8.154 1.00 0.00 H new ATOM 0 HA HIS A 55 1.785 8.666 9.289 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.905 11.031 10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.270 11.550 8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.524 11.358 8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.267 9.980 12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.343 10.863 9.985 1.00 0.00 H new ATOM 765 N LEU A 56 1.001 9.729 6.326 1.00 0.00 N ATOM 766 CA LEU A 56 0.197 9.432 5.201 1.00 0.00 C ATOM 767 C LEU A 56 0.613 8.156 4.544 1.00 0.00 C ATOM 768 O LEU A 56 -0.248 7.376 4.152 1.00 0.00 O ATOM 769 CB LEU A 56 0.222 10.520 4.213 1.00 0.00 C ATOM 770 CG LEU A 56 -0.958 10.508 3.294 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.244 10.861 4.048 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.686 11.415 2.155 1.00 0.00 C ATOM 0 H LEU A 56 1.653 10.504 6.201 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.821 9.319 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.258 11.476 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.135 10.445 3.623 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.115 9.505 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.087 10.845 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.412 10.133 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.150 11.856 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.540 11.415 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.518 12.426 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.201 11.073 1.621 1.00 0.00 H new ATOM 784 N ALA A 57 1.928 7.911 4.438 1.00 0.00 N ATOM 785 CA ALA A 57 2.418 6.638 3.873 1.00 0.00 C ATOM 786 C ALA A 57 1.804 5.480 4.659 1.00 0.00 C ATOM 787 O ALA A 57 1.372 4.474 4.074 1.00 0.00 O ATOM 788 CB ALA A 57 3.934 6.565 3.863 1.00 0.00 C ATOM 0 H ALA A 57 2.660 8.560 4.728 1.00 0.00 H new ATOM 0 HA ALA A 57 2.107 6.572 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.250 5.612 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.334 7.380 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.309 6.651 4.883 1.00 0.00 H new ATOM 794 N ARG A 58 1.692 5.685 5.971 1.00 0.00 N ATOM 795 CA ARG A 58 1.030 4.733 6.859 1.00 0.00 C ATOM 796 C ARG A 58 -0.402 4.510 6.420 1.00 0.00 C ATOM 797 O ARG A 58 -0.812 3.376 6.088 1.00 0.00 O ATOM 798 CB ARG A 58 1.007 5.266 8.298 1.00 0.00 C ATOM 799 CG ARG A 58 2.309 5.184 9.040 1.00 0.00 C ATOM 800 CD ARG A 58 2.635 3.753 9.307 1.00 0.00 C ATOM 801 NE ARG A 58 3.855 3.596 10.123 1.00 0.00 N ATOM 802 CZ ARG A 58 4.025 2.700 11.111 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.040 1.890 11.457 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.190 2.626 11.746 1.00 0.00 N ATOM 0 H ARG A 58 2.056 6.511 6.445 1.00 0.00 H new ATOM 0 HA ARG A 58 1.587 3.797 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.687 6.308 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.254 4.713 8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.104 5.647 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.241 5.735 9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.796 3.282 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.765 3.230 8.360 1.00 0.00 H new ATOM 0 HE ARG A 58 4.636 4.220 9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.143 1.942 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.176 1.213 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.954 3.249 11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.320 1.947 12.496 1.00 0.00 H new ATOM 818 N LYS A 59 -1.140 5.605 6.349 1.00 0.00 N ATOM 819 CA LYS A 59 -2.567 5.527 6.069 1.00 0.00 C ATOM 820 C LYS A 59 -2.852 4.898 4.709 1.00 0.00 C ATOM 821 O LYS A 59 -3.735 4.052 4.576 1.00 0.00 O ATOM 822 CB LYS A 59 -3.254 6.903 6.178 1.00 0.00 C ATOM 823 CG LYS A 59 -4.764 6.827 5.928 1.00 0.00 C ATOM 824 CD LYS A 59 -5.498 8.143 6.162 1.00 0.00 C ATOM 825 CE LYS A 59 -5.323 8.637 7.586 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.369 9.602 7.961 1.00 0.00 N ATOM 0 H LYS A 59 -0.781 6.551 6.480 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.990 4.877 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.074 7.318 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.804 7.588 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.936 6.504 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.192 6.064 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.126 8.896 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.559 8.011 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.348 7.789 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.343 9.103 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.970 10.313 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.729 10.073 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.148 9.102 8.435 1.00 0.00 H new ATOM 840 N LEU A 60 -2.097 5.295 3.722 1.00 0.00 N ATOM 841 CA LEU A 60 -2.311 4.835 2.361 1.00 0.00 C ATOM 842 C LEU A 60 -2.000 3.372 2.206 1.00 0.00 C ATOM 843 O LEU A 60 -2.765 2.637 1.566 1.00 0.00 O ATOM 844 CB LEU A 60 -1.502 5.688 1.433 1.00 0.00 C ATOM 845 CG LEU A 60 -1.841 7.150 1.577 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.788 8.035 0.959 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.205 7.432 0.998 1.00 0.00 C ATOM 0 H LEU A 60 -1.317 5.944 3.828 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.366 4.937 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.441 5.539 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.678 5.374 0.404 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.864 7.384 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.071 9.080 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.170 7.857 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.700 7.808 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.436 8.491 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.213 7.168 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.953 6.840 1.525 1.00 0.00 H new ATOM 859 N THR A 61 -0.887 2.945 2.811 1.00 0.00 N ATOM 860 CA THR A 61 -0.503 1.545 2.783 1.00 0.00 C ATOM 861 C THR A 61 -1.595 0.722 3.406 1.00 0.00 C ATOM 862 O THR A 61 -1.966 -0.347 2.916 1.00 0.00 O ATOM 863 CB THR A 61 0.822 1.307 3.560 1.00 0.00 C ATOM 864 OG1 THR A 61 1.861 2.117 2.994 1.00 0.00 O ATOM 865 CG2 THR A 61 1.242 -0.161 3.494 1.00 0.00 C ATOM 0 H THR A 61 -0.245 3.551 3.321 1.00 0.00 H new ATOM 0 HA THR A 61 -0.349 1.252 1.744 1.00 0.00 H new ATOM 0 HB THR A 61 0.658 1.577 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.954 2.941 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.172 -0.299 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.463 -0.783 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.391 -0.450 2.454 1.00 0.00 H new ATOM 873 N HIS A 62 -2.153 1.261 4.450 1.00 0.00 N ATOM 874 CA HIS A 62 -3.146 0.538 5.180 1.00 0.00 C ATOM 875 C HIS A 62 -4.508 0.537 4.457 1.00 0.00 C ATOM 876 O HIS A 62 -5.234 -0.453 4.523 1.00 0.00 O ATOM 877 CB HIS A 62 -3.253 1.076 6.597 1.00 0.00 C ATOM 878 CG HIS A 62 -3.986 0.187 7.542 1.00 0.00 C ATOM 879 ND1 HIS A 62 -5.259 0.203 7.977 1.00 0.00 N flip ATOM 880 CD2 HIS A 62 -3.390 -0.890 8.151 1.00 0.00 C flip ATOM 881 CE1 HIS A 62 -5.408 -0.861 8.832 1.00 0.00 C flip ATOM 882 NE2 HIS A 62 -4.253 -1.502 8.916 1.00 0.00 N flip ATOM 0 H HIS A 62 -1.939 2.191 4.811 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.832 -0.504 5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.248 1.247 6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.752 2.044 6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.360 -1.187 8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.317 -1.130 9.350 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -4.069 -2.331 9.481 1.00 0.00 H new ATOM 890 N GLY A 63 -4.833 1.605 3.756 1.00 0.00 N ATOM 891 CA GLY A 63 -6.125 1.682 3.090 1.00 0.00 C ATOM 892 C GLY A 63 -6.237 0.768 1.888 1.00 0.00 C ATOM 893 O GLY A 63 -7.271 0.130 1.700 1.00 0.00 O ATOM 0 H GLY A 63 -4.234 2.421 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.909 1.429 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.302 2.710 2.773 1.00 0.00 H new ATOM 897 N VAL A 64 -5.164 0.655 1.101 1.00 0.00 N ATOM 898 CA VAL A 64 -5.171 -0.251 -0.078 1.00 0.00 C ATOM 899 C VAL A 64 -5.298 -1.675 0.424 1.00 0.00 C ATOM 900 O VAL A 64 -6.060 -2.482 -0.111 1.00 0.00 O ATOM 901 CB VAL A 64 -3.873 -0.116 -0.941 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.843 -1.147 -2.097 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.754 1.296 -1.497 1.00 0.00 C ATOM 0 H VAL A 64 -4.291 1.163 1.244 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.010 0.022 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.022 -0.320 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.926 -1.021 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.878 -2.156 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.704 -0.990 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.847 1.376 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.621 1.516 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.710 2.009 -0.674 1.00 0.00 H new ATOM 913 N MET A 65 -4.650 -1.890 1.541 1.00 0.00 N ATOM 914 CA MET A 65 -4.605 -3.164 2.214 1.00 0.00 C ATOM 915 C MET A 65 -6.014 -3.560 2.643 1.00 0.00 C ATOM 916 O MET A 65 -6.452 -4.666 2.411 1.00 0.00 O ATOM 917 CB MET A 65 -3.680 -3.048 3.405 1.00 0.00 C ATOM 918 CG MET A 65 -3.574 -4.257 4.276 1.00 0.00 C ATOM 919 SD MET A 65 -2.350 -3.967 5.548 1.00 0.00 S ATOM 920 CE MET A 65 -2.703 -5.294 6.639 1.00 0.00 C ATOM 0 H MET A 65 -4.123 -1.161 2.022 1.00 0.00 H new ATOM 0 HA MET A 65 -4.225 -3.939 1.548 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.683 -2.799 3.042 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.014 -2.211 4.019 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.540 -4.478 4.729 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.296 -5.126 3.679 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.023 -5.256 7.490 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.731 -5.211 6.992 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.575 -6.241 6.114 1.00 0.00 H new ATOM 930 N ASN A 66 -6.716 -2.627 3.238 1.00 0.00 N ATOM 931 CA ASN A 66 -8.090 -2.806 3.662 1.00 0.00 C ATOM 932 C ASN A 66 -9.009 -3.100 2.480 1.00 0.00 C ATOM 933 O ASN A 66 -9.817 -4.027 2.535 1.00 0.00 O ATOM 934 CB ASN A 66 -8.576 -1.574 4.394 1.00 0.00 C ATOM 935 CG ASN A 66 -7.968 -1.370 5.742 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.542 -2.315 6.412 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.953 -0.148 6.180 1.00 0.00 N ATOM 0 H ASN A 66 -6.343 -1.701 3.447 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.118 -3.664 4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.368 -0.698 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.659 -1.637 4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.580 0.057 7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.314 0.607 5.597 1.00 0.00 H new ATOM 944 N LYS A 67 -8.870 -2.325 1.424 1.00 0.00 N ATOM 945 CA LYS A 67 -9.675 -2.483 0.224 1.00 0.00 C ATOM 946 C LYS A 67 -9.498 -3.845 -0.386 1.00 0.00 C ATOM 947 O LYS A 67 -10.482 -4.521 -0.718 1.00 0.00 O ATOM 948 CB LYS A 67 -9.422 -1.369 -0.817 1.00 0.00 C ATOM 949 CG LYS A 67 -10.326 -0.132 -0.682 1.00 0.00 C ATOM 950 CD LYS A 67 -10.198 0.562 0.666 1.00 0.00 C ATOM 951 CE LYS A 67 -11.129 1.765 0.775 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.838 2.810 -0.234 1.00 0.00 N ATOM 0 H LYS A 67 -8.193 -1.564 1.371 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.714 -2.387 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.383 -1.050 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.553 -1.789 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.081 0.577 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.364 -0.430 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.425 -0.147 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.167 0.886 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.160 1.432 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.043 2.196 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.393 3.663 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.824 3.042 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.092 2.460 -1.180 1.00 0.00 H new ATOM 966 N GLU A 68 -8.285 -4.299 -0.485 1.00 0.00 N ATOM 967 CA GLU A 68 -8.091 -5.565 -1.043 1.00 0.00 C ATOM 968 C GLU A 68 -8.460 -6.657 -0.104 1.00 0.00 C ATOM 969 O GLU A 68 -9.082 -7.593 -0.505 1.00 0.00 O ATOM 970 CB GLU A 68 -6.768 -5.715 -1.687 1.00 0.00 C ATOM 971 CG GLU A 68 -5.556 -5.463 -0.851 1.00 0.00 C ATOM 972 CD GLU A 68 -4.378 -5.497 -1.748 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.194 -4.514 -2.480 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.716 -6.550 -1.844 1.00 0.00 O ATOM 0 H GLU A 68 -7.441 -3.809 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.795 -5.663 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.699 -6.729 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.732 -5.039 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.629 -4.497 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.465 -6.219 -0.071 1.00 0.00 H new ATOM 981 N LEU A 69 -8.150 -6.519 1.160 1.00 0.00 N ATOM 982 CA LEU A 69 -8.611 -7.496 2.163 1.00 0.00 C ATOM 983 C LEU A 69 -10.120 -7.659 2.130 1.00 0.00 C ATOM 984 O LEU A 69 -10.628 -8.752 2.368 1.00 0.00 O ATOM 985 CB LEU A 69 -8.187 -7.097 3.586 1.00 0.00 C ATOM 986 CG LEU A 69 -6.890 -7.670 4.162 1.00 0.00 C ATOM 987 CD1 LEU A 69 -7.067 -9.132 4.534 1.00 0.00 C ATOM 988 CD2 LEU A 69 -5.756 -7.540 3.194 1.00 0.00 C ATOM 0 H LEU A 69 -7.588 -5.755 1.535 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.139 -8.444 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.107 -6.010 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.997 -7.374 4.261 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.653 -7.094 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.133 -9.519 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.855 -9.224 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.340 -9.703 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.851 -7.957 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.995 -8.081 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.595 -6.487 2.962 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.835 -6.605 1.807 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.259 -6.696 1.774 1.00 0.00 C ATOM 1002 C LYS A 70 -12.782 -7.239 0.449 1.00 0.00 C ATOM 1003 O LYS A 70 -13.816 -7.902 0.410 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.916 -5.378 2.208 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.718 -4.182 1.320 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.470 -2.982 1.875 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.023 -2.645 3.299 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.858 -1.613 3.918 1.00 0.00 N ATOM 0 H LYS A 70 -10.451 -5.691 1.568 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.557 -7.439 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.988 -5.552 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.543 -5.126 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.656 -3.950 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.070 -4.406 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.307 -2.120 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.540 -3.188 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.054 -3.547 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.987 -2.307 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.515 -1.420 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.810 -0.742 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.843 -1.943 3.961 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.056 -7.006 -0.631 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.492 -7.501 -1.952 1.00 0.00 C ATOM 1024 C TYR A 71 -11.957 -8.885 -2.243 1.00 0.00 C ATOM 1025 O TYR A 71 -12.635 -9.705 -2.855 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.092 -6.531 -3.065 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.708 -5.157 -2.917 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.662 -4.907 -1.942 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.324 -4.115 -3.729 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.209 -3.691 -1.774 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.875 -2.868 -3.571 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.820 -2.661 -2.587 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.370 -1.423 -2.421 1.00 0.00 O ATOM 0 H TYR A 71 -11.177 -6.489 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.580 -7.566 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.006 -6.434 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.387 -6.951 -4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.975 -5.715 -1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.583 -4.280 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.949 -3.528 -1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.571 -2.054 -4.213 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.986 -0.804 -3.077 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.792 -9.147 -1.755 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.110 -10.388 -1.952 1.00 0.00 C ATOM 1045 C CYS A 72 -10.599 -11.355 -0.930 1.00 0.00 C ATOM 1046 O CYS A 72 -10.845 -12.526 -1.238 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.597 -10.171 -1.799 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.845 -9.165 -3.104 1.00 0.00 S ATOM 0 H CYS A 72 -10.267 -8.482 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.304 -10.778 -2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.407 -9.696 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.104 -11.143 -1.778 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.286 -9.942 -3.983 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.752 -10.848 0.313 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.255 -11.595 1.470 1.00 0.00 C ATOM 1056 C LYS A 73 -10.228 -12.599 1.978 1.00 0.00 C ATOM 1057 O LYS A 73 -9.993 -12.707 3.187 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.604 -12.217 1.150 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.671 -11.168 0.870 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.725 -11.714 -0.047 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.903 -10.762 -0.219 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.546 -9.538 -0.967 1.00 0.00 N ATOM 0 H LYS A 73 -10.520 -9.880 0.538 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.415 -10.902 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.504 -12.871 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.921 -12.841 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.127 -10.848 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.213 -10.287 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.283 -11.918 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.085 -12.665 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.709 -11.279 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.286 -10.484 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.375 -8.912 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.773 -9.044 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.239 -9.795 -1.927 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.620 -13.305 1.070 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.543 -14.197 1.377 1.00 0.00 C ATOM 1078 C ASN A 74 -7.233 -13.486 1.046 1.00 0.00 C ATOM 1079 O ASN A 74 -7.077 -12.921 -0.035 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.657 -15.538 0.597 1.00 0.00 C ATOM 1081 CG ASN A 74 -8.561 -15.402 -0.923 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -7.474 -15.446 -1.493 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -9.683 -15.274 -1.585 1.00 0.00 N ATOM 0 H ASN A 74 -9.863 -13.276 0.080 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.580 -14.454 2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.869 -16.210 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.608 -16.009 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.670 -15.208 -2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.570 -15.241 -1.083 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.286 -13.430 1.989 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.976 -12.791 1.758 1.00 0.00 C ATOM 1092 C PRO A 75 -4.046 -13.581 0.881 1.00 0.00 C ATOM 1093 O PRO A 75 -2.894 -13.219 0.662 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.382 -12.664 3.080 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.038 -13.732 3.928 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.411 -13.937 3.370 1.00 0.00 C ATOM 0 HA PRO A 75 -5.127 -11.846 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.302 -12.805 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.558 -11.672 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.465 -14.658 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.086 -13.423 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.702 -14.987 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.163 -13.387 3.936 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.548 -14.638 0.396 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.895 -15.480 -0.576 1.00 0.00 C ATOM 1106 C GLU A 76 -3.827 -14.703 -1.912 1.00 0.00 C ATOM 1107 O GLU A 76 -3.122 -15.067 -2.862 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.713 -16.756 -0.696 1.00 0.00 C ATOM 1109 CG GLU A 76 -4.196 -17.801 -1.637 1.00 0.00 C ATOM 1110 CD GLU A 76 -5.135 -18.970 -1.709 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.155 -19.780 -0.772 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -5.883 -19.086 -2.688 1.00 0.00 O ATOM 0 H GLU A 76 -5.472 -14.979 0.663 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.878 -15.745 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.796 -17.202 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.721 -16.485 -1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.068 -17.370 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.213 -18.139 -1.307 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.526 -13.600 -1.927 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.618 -12.742 -3.090 1.00 0.00 C ATOM 1121 C ASP A 77 -4.069 -11.357 -2.726 1.00 0.00 C ATOM 1122 O ASP A 77 -4.044 -10.434 -3.539 1.00 0.00 O ATOM 1123 CB ASP A 77 -6.078 -12.676 -3.556 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.249 -12.128 -4.957 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.791 -12.793 -5.925 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.903 -11.082 -5.128 1.00 0.00 O ATOM 0 H ASP A 77 -5.057 -13.263 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.025 -13.138 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.509 -13.676 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.643 -12.055 -2.862 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.578 -11.262 -1.491 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.991 -10.091 -0.942 1.00 0.00 C ATOM 1133 C LEU A 78 -1.507 -10.145 -1.200 1.00 0.00 C ATOM 1134 O LEU A 78 -0.766 -10.951 -0.600 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.231 -10.080 0.549 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.551 -8.980 1.327 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.135 -7.634 1.050 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.523 -9.262 2.793 1.00 0.00 C ATOM 0 H LEU A 78 -3.590 -12.045 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.423 -9.197 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.305 -10.008 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.906 -11.038 0.955 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.520 -8.960 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.608 -6.881 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.034 -7.405 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.190 -7.632 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.024 -8.443 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.543 -9.359 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.981 -10.190 2.975 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.112 -9.376 -2.116 1.00 0.00 N ATOM 1151 CA GLU A 79 0.216 -9.249 -2.530 1.00 0.00 C ATOM 1152 C GLU A 79 0.362 -7.881 -3.096 1.00 0.00 C ATOM 1153 O GLU A 79 -0.546 -7.410 -3.726 1.00 0.00 O ATOM 1154 CB GLU A 79 0.421 -10.219 -3.649 1.00 0.00 C ATOM 1155 CG GLU A 79 1.734 -10.116 -4.329 1.00 0.00 C ATOM 1156 CD GLU A 79 2.890 -10.456 -3.435 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.282 -9.612 -2.590 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.445 -11.554 -3.581 1.00 0.00 O ATOM 0 H GLU A 79 -1.750 -8.774 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 79 0.917 -9.425 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.308 -11.231 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.367 -10.072 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.742 -10.782 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.862 -9.102 -4.707 1.00 0.00 H new ATOM 1165 N CYS A 80 1.506 -7.286 -2.946 1.00 0.00 N ATOM 1166 CA CYS A 80 1.761 -6.016 -3.561 1.00 0.00 C ATOM 1167 C CYS A 80 2.200 -6.306 -4.967 1.00 0.00 C ATOM 1168 O CYS A 80 3.385 -6.313 -5.300 1.00 0.00 O ATOM 1169 CB CYS A 80 2.798 -5.184 -2.785 1.00 0.00 C ATOM 1170 SG CYS A 80 3.349 -3.658 -3.600 1.00 0.00 S ATOM 0 H CYS A 80 2.282 -7.660 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 80 0.861 -5.401 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.376 -4.924 -1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.671 -5.809 -2.596 1.00 0.00 H new ATOM 0 HG CYS A 80 4.048 -2.948 -2.765 1.00 0.00 H new ATOM 1176 N ASN A 81 1.244 -6.680 -5.755 1.00 0.00 N ATOM 1177 CA ASN A 81 1.498 -7.082 -7.103 1.00 0.00 C ATOM 1178 C ASN A 81 1.204 -5.920 -8.015 1.00 0.00 C ATOM 1179 O ASN A 81 0.951 -4.828 -7.563 1.00 0.00 O ATOM 1180 CB ASN A 81 0.639 -8.273 -7.505 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.848 -7.900 -7.539 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.320 -7.381 -8.455 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.537 -8.130 -6.541 1.00 0.00 N ATOM 0 H ASN A 81 0.262 -6.716 -5.482 1.00 0.00 H new ATOM 0 HA ASN A 81 2.542 -7.383 -7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.949 -8.633 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.795 -9.091 -6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.521 -7.861 -6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.122 -8.589 -5.730 1.00 0.00 H new ATOM 1190 N GLU A 82 1.176 -6.210 -9.273 1.00 0.00 N ATOM 1191 CA GLU A 82 0.910 -5.282 -10.358 1.00 0.00 C ATOM 1192 C GLU A 82 -0.431 -4.567 -10.179 1.00 0.00 C ATOM 1193 O GLU A 82 -0.487 -3.331 -10.198 1.00 0.00 O ATOM 1194 CB GLU A 82 0.849 -6.107 -11.583 1.00 0.00 C ATOM 1195 CG GLU A 82 2.123 -6.844 -11.906 1.00 0.00 C ATOM 1196 CD GLU A 82 1.915 -7.906 -12.939 1.00 0.00 C ATOM 1197 OE1 GLU A 82 1.410 -8.985 -12.593 1.00 0.00 O ATOM 1198 OE2 GLU A 82 2.247 -7.686 -14.114 1.00 0.00 O ATOM 0 H GLU A 82 1.347 -7.158 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 82 1.683 -4.514 -10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.042 -6.832 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.592 -5.465 -12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.871 -6.135 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.520 -7.296 -10.997 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.484 -5.378 -10.025 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.860 -4.942 -9.750 1.00 0.00 C ATOM 1207 C ASN A 83 -2.823 -4.019 -8.616 1.00 0.00 C ATOM 1208 O ASN A 83 -3.319 -2.895 -8.693 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.754 -6.129 -9.273 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.142 -7.133 -10.329 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -4.307 -6.803 -11.504 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -4.310 -8.364 -9.920 1.00 0.00 N ATOM 0 H ASN A 83 -1.399 -6.392 -10.091 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.258 -4.505 -10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.229 -6.655 -8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.665 -5.719 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.587 -9.088 -10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.164 -8.600 -8.938 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.187 -4.481 -7.543 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.156 -3.698 -6.331 1.00 0.00 C ATOM 1221 C VAL A 84 -1.448 -2.384 -6.536 1.00 0.00 C ATOM 1222 O VAL A 84 -1.988 -1.350 -6.220 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.584 -4.476 -5.173 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.432 -3.620 -3.948 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.496 -5.588 -4.866 1.00 0.00 C ATOM 0 H VAL A 84 -1.699 -5.375 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.189 -3.465 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.596 -4.839 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.017 -4.217 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.762 -2.788 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.407 -3.232 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.099 -6.164 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.476 -5.192 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.589 -6.234 -5.739 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.280 -2.442 -7.137 1.00 0.00 N ATOM 1236 CA LYS A 85 0.505 -1.252 -7.423 1.00 0.00 C ATOM 1237 C LYS A 85 -0.279 -0.269 -8.204 1.00 0.00 C ATOM 1238 O LYS A 85 -0.349 0.886 -7.827 1.00 0.00 O ATOM 1239 CB LYS A 85 1.777 -1.599 -8.150 1.00 0.00 C ATOM 1240 CG LYS A 85 2.670 -2.420 -7.304 1.00 0.00 C ATOM 1241 CD LYS A 85 3.915 -2.833 -8.002 1.00 0.00 C ATOM 1242 CE LYS A 85 4.577 -3.836 -7.138 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.891 -4.277 -7.637 1.00 0.00 N ATOM 0 H LYS A 85 0.156 -3.312 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 85 0.769 -0.800 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.539 -2.141 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.291 -0.684 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.932 -1.856 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.133 -3.309 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.687 -3.256 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.567 -1.976 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.700 -3.417 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.926 -4.705 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.294 -4.978 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.779 -4.706 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.529 -3.459 -7.704 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.938 -0.755 -9.232 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.753 0.098 -10.094 1.00 0.00 C ATOM 1259 C HIS A 86 -2.803 0.824 -9.263 1.00 0.00 C ATOM 1260 O HIS A 86 -2.916 2.071 -9.311 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.394 -0.687 -11.252 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.074 0.194 -12.271 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.439 0.656 -13.401 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.319 0.724 -12.310 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.237 1.428 -14.082 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.393 1.493 -13.450 1.00 0.00 N ATOM 0 H HIS A 86 -0.931 -1.739 -9.499 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.097 0.837 -10.553 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.625 -1.278 -11.749 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.123 -1.389 -10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.105 0.573 -11.585 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.994 1.930 -15.007 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.208 2.025 -13.755 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.487 0.051 -8.443 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.529 0.546 -7.552 1.00 0.00 C ATOM 1276 C LYS A 87 -3.976 1.596 -6.651 1.00 0.00 C ATOM 1277 O LYS A 87 -4.573 2.633 -6.474 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.077 -0.550 -6.683 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.075 -1.474 -7.308 1.00 0.00 C ATOM 1280 CD LYS A 87 -5.916 -2.871 -6.738 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.784 -2.900 -5.198 1.00 0.00 C ATOM 1282 NZ LYS A 87 -5.634 -4.274 -4.671 1.00 0.00 N ATOM 0 H LYS A 87 -3.335 -0.955 -8.373 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.323 0.947 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.240 -1.148 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.540 -0.091 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.086 -1.110 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.936 -1.495 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.775 -3.474 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.034 -3.336 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.923 -2.303 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.664 -2.437 -4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.127 -4.244 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.574 -4.696 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.095 -4.849 -5.350 1.00 0.00 H new ATOM 1296 N THR A 88 -2.834 1.341 -6.171 1.00 0.00 N ATOM 1297 CA THR A 88 -2.257 2.080 -5.172 1.00 0.00 C ATOM 1298 C THR A 88 -1.782 3.386 -5.649 1.00 0.00 C ATOM 1299 O THR A 88 -2.275 4.390 -5.197 1.00 0.00 O ATOM 1300 CB THR A 88 -1.153 1.280 -4.573 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.727 0.182 -3.885 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.310 2.118 -3.675 1.00 0.00 C ATOM 0 H THR A 88 -2.255 0.565 -6.492 1.00 0.00 H new ATOM 0 HA THR A 88 -3.007 2.299 -4.412 1.00 0.00 H new ATOM 0 HB THR A 88 -0.491 0.909 -5.355 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.307 0.092 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.488 1.508 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.124 2.939 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.925 2.521 -2.870 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.880 3.390 -6.584 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.358 4.624 -7.045 1.00 0.00 C ATOM 1312 C LYS A 89 -1.427 5.523 -7.668 1.00 0.00 C ATOM 1313 O LYS A 89 -1.398 6.726 -7.474 1.00 0.00 O ATOM 1314 CB LYS A 89 0.892 4.439 -7.912 1.00 0.00 C ATOM 1315 CG LYS A 89 0.836 3.321 -8.924 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.196 3.540 -9.946 1.00 0.00 C ATOM 1317 CE LYS A 89 0.118 2.839 -11.253 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.329 3.353 -11.906 1.00 0.00 N ATOM 0 H LYS A 89 -0.499 2.558 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.017 5.172 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.084 5.372 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.744 4.265 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.808 3.224 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.641 2.380 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.156 3.186 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.300 4.610 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.238 1.772 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.728 2.951 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.267 3.189 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.416 4.373 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.163 2.861 -11.527 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.407 4.914 -8.362 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.522 5.693 -8.922 1.00 0.00 C ATOM 1334 C GLU A 90 -4.452 6.196 -7.832 1.00 0.00 C ATOM 1335 O GLU A 90 -4.982 7.327 -7.905 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.284 4.917 -9.972 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.459 4.638 -11.215 1.00 0.00 C ATOM 1338 CD GLU A 90 -2.901 5.905 -11.832 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -3.586 6.530 -12.669 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -1.758 6.291 -11.518 1.00 0.00 O ATOM 0 H GLU A 90 -2.449 3.911 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.085 6.561 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.620 3.972 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.177 5.476 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.638 3.968 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.076 4.120 -11.949 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.580 5.411 -6.777 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.388 5.807 -5.643 1.00 0.00 C ATOM 1349 C TYR A 91 -4.722 6.973 -4.998 1.00 0.00 C ATOM 1350 O TYR A 91 -5.363 7.956 -4.713 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.545 4.661 -4.637 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.922 5.067 -3.239 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.160 5.619 -2.946 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.017 4.891 -2.208 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.482 5.978 -1.652 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.320 5.233 -0.924 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.560 5.782 -0.640 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.888 6.118 0.660 1.00 0.00 O ATOM 0 H TYR A 91 -4.135 4.498 -6.684 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.390 6.071 -5.982 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.303 3.974 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.606 4.108 -4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.879 5.770 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.046 4.472 -2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.447 6.409 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.600 5.077 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.132 5.918 1.250 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.423 6.838 -4.790 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.581 7.895 -4.248 1.00 0.00 C ATOM 1370 C ILE A 92 -2.766 9.176 -5.015 1.00 0.00 C ATOM 1371 O ILE A 92 -3.001 10.215 -4.397 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.093 7.498 -4.295 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.820 6.256 -3.433 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.203 8.679 -3.894 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.594 6.515 -2.004 1.00 0.00 C ATOM 0 H ILE A 92 -2.914 5.978 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.882 8.045 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.844 7.233 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.664 5.574 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.054 5.742 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.843 8.376 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.367 9.508 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.451 8.994 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.411 5.573 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.271 7.168 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.474 6.997 -1.578 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.672 9.091 -6.353 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.844 10.254 -7.215 1.00 0.00 C ATOM 1389 C LYS A 93 -4.121 10.937 -6.820 1.00 0.00 C ATOM 1390 O LYS A 93 -4.121 12.036 -6.250 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.997 9.856 -8.702 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.905 8.997 -9.301 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.569 9.692 -9.386 1.00 0.00 C ATOM 1394 CE LYS A 93 0.485 8.754 -9.962 1.00 0.00 C ATOM 1395 NZ LYS A 93 0.109 8.226 -11.298 1.00 0.00 N ATOM 0 H LYS A 93 -2.477 8.224 -6.854 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.965 10.888 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.944 9.328 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.070 10.770 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.797 8.092 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.207 8.685 -10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.654 10.581 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.263 10.027 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.435 9.283 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.639 7.921 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.941 7.793 -11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.638 7.510 -11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.240 9.004 -11.893 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.190 10.184 -6.928 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.506 10.742 -6.806 1.00 0.00 C ATOM 1411 C LYS A 94 -6.744 11.220 -5.400 1.00 0.00 C ATOM 1412 O LYS A 94 -7.433 12.225 -5.180 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.570 9.726 -7.202 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.439 9.181 -8.615 1.00 0.00 C ATOM 1415 CD LYS A 94 -8.474 8.097 -8.872 1.00 0.00 C ATOM 1416 CE LYS A 94 -8.288 7.440 -10.232 1.00 0.00 C ATOM 1417 NZ LYS A 94 -8.411 8.399 -11.347 1.00 0.00 N ATOM 0 H LYS A 94 -5.168 9.179 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.576 11.592 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.534 8.892 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.551 10.189 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.566 9.990 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.438 8.777 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.406 7.339 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.473 8.529 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.307 6.966 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.029 6.650 -10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.378 7.886 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.315 8.907 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.627 9.081 -11.307 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.159 10.517 -4.463 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.281 10.845 -3.106 1.00 0.00 C ATOM 1433 C TYR A 95 -5.638 12.178 -2.815 1.00 0.00 C ATOM 1434 O TYR A 95 -6.250 13.039 -2.257 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.663 9.751 -2.269 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.583 10.116 -0.819 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.732 10.177 -0.041 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.382 10.459 -0.237 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.673 10.558 1.274 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.329 10.840 1.068 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.465 10.885 1.821 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.389 11.288 3.114 1.00 0.00 O ATOM 0 H TYR A 95 -5.583 9.695 -4.646 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.338 10.931 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.249 8.838 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.662 9.534 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.685 9.921 -0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.475 10.425 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.572 10.599 1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.381 11.109 1.510 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.167 10.954 3.607 1.00 0.00 H new ATOM 1452 N MET A 96 -4.422 12.353 -3.228 1.00 0.00 N ATOM 1453 CA MET A 96 -3.733 13.558 -2.941 1.00 0.00 C ATOM 1454 C MET A 96 -4.309 14.737 -3.684 1.00 0.00 C ATOM 1455 O MET A 96 -4.127 15.885 -3.276 1.00 0.00 O ATOM 1456 CB MET A 96 -2.264 13.395 -3.176 1.00 0.00 C ATOM 1457 CG MET A 96 -1.707 12.206 -2.408 1.00 0.00 C ATOM 1458 SD MET A 96 0.004 12.330 -2.002 1.00 0.00 S ATOM 1459 CE MET A 96 -0.062 13.780 -0.997 1.00 0.00 C ATOM 0 H MET A 96 -3.890 11.670 -3.767 1.00 0.00 H new ATOM 0 HA MET A 96 -3.874 13.778 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.077 13.261 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.743 14.303 -2.872 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.278 12.086 -1.487 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.862 11.304 -2.999 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.857 13.863 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.171 14.659 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.913 13.715 -0.320 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.058 14.451 -4.755 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.717 15.512 -5.497 1.00 0.00 C ATOM 1471 C GLN A 97 -6.802 16.172 -4.655 1.00 0.00 C ATOM 1472 O GLN A 97 -7.219 17.288 -4.945 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.319 15.047 -6.830 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.392 14.240 -7.722 1.00 0.00 C ATOM 1475 CD GLN A 97 -3.989 14.799 -7.846 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.689 15.622 -8.699 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.108 14.303 -7.017 1.00 0.00 N ATOM 0 H GLN A 97 -5.216 13.510 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.934 16.234 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.204 14.447 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.653 15.925 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.331 13.223 -7.334 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.832 14.176 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.395 13.618 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.134 14.601 -7.069 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.251 15.490 -3.608 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.314 16.042 -2.780 1.00 0.00 C ATOM 1488 C LYS A 98 -7.785 17.104 -1.822 1.00 0.00 C ATOM 1489 O LYS A 98 -8.545 17.937 -1.338 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.075 14.963 -1.975 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.305 14.361 -0.790 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.205 14.135 0.406 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.694 15.461 0.953 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.801 15.320 1.910 1.00 0.00 N ATOM 0 H LYS A 98 -6.905 14.575 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.017 16.499 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.001 15.399 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.353 14.156 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.856 13.415 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.489 15.027 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.055 13.517 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.663 13.592 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.865 15.974 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.017 16.092 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.667 15.728 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.956 14.312 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.564 15.820 2.791 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.489 17.055 -1.535 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.886 18.002 -0.608 1.00 0.00 C ATOM 1510 C PHE A 99 -5.741 19.367 -1.244 1.00 0.00 C ATOM 1511 O PHE A 99 -5.958 20.396 -0.601 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.526 17.512 -0.103 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.568 16.318 0.815 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.224 16.390 2.030 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.904 15.146 0.490 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.232 15.317 2.896 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.911 14.070 1.359 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.583 14.168 2.564 1.00 0.00 C ATOM 0 H PHE A 99 -5.840 16.374 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.556 18.082 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.905 17.265 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.034 18.333 0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.737 17.300 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.377 15.072 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.754 15.389 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.394 13.158 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.593 13.329 3.244 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.381 19.365 -2.496 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.207 20.564 -3.208 1.00 0.00 C ATOM 1530 C GLY A 100 -3.768 20.765 -3.496 1.00 0.00 C ATOM 1531 O GLY A 100 -3.089 19.839 -3.905 1.00 0.00 O ATOM 0 H GLY A 100 -5.203 18.520 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.774 20.532 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.593 21.403 -2.628 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.292 21.925 -3.237 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.911 22.254 -3.477 1.00 0.00 C ATOM 1537 C ALA A 101 -1.024 21.595 -2.445 1.00 0.00 C ATOM 1538 O ALA A 101 0.005 21.008 -2.775 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.714 23.755 -3.454 1.00 0.00 C ATOM 0 H ALA A 101 -3.843 22.690 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.634 21.881 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.665 23.987 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.328 24.214 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.007 24.146 -2.480 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.435 21.648 -1.203 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.610 21.123 -0.138 1.00 0.00 C ATOM 1547 C VAL A 102 -1.363 20.004 0.536 1.00 0.00 C ATOM 1548 O VAL A 102 -2.591 19.983 0.553 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.251 22.196 0.913 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.990 21.853 1.705 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.171 23.575 0.318 1.00 0.00 C ATOM 0 H VAL A 102 -2.326 22.044 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 102 0.325 20.771 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.077 22.202 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.191 22.644 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.837 20.911 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.839 21.756 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.084 24.293 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.595 23.593 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.134 23.840 -0.118 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.628 19.104 1.088 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.157 17.995 1.782 1.00 0.00 C ATOM 1563 C TYR A 103 -1.515 18.423 3.179 1.00 0.00 C ATOM 1564 O TYR A 103 -0.655 18.674 4.023 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.178 16.802 1.734 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.339 15.773 2.837 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.560 15.280 3.187 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.750 15.330 3.531 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.701 14.381 4.204 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.630 14.416 4.546 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.595 13.949 4.885 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.723 13.060 5.935 1.00 0.00 O ATOM 0 H TYR A 103 0.392 19.125 1.065 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.070 17.643 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.294 16.299 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.840 17.190 1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.436 15.608 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.729 15.708 3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.681 14.012 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.508 14.070 5.072 1.00 0.00 H new ATOM 0 HH TYR A 103 0.163 12.860 6.304 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.773 18.593 3.366 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.343 18.962 4.628 1.00 0.00 C ATOM 1584 C LYS A 104 -4.185 17.807 5.154 1.00 0.00 C ATOM 1585 O LYS A 104 -5.357 17.712 4.826 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.239 20.177 4.433 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.549 21.391 3.818 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.563 22.452 3.414 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.459 21.967 2.271 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.543 22.916 1.966 1.00 0.00 N ATOM 0 H LYS A 104 -3.465 18.477 2.625 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.548 19.195 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.078 19.893 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.654 20.464 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.842 21.812 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.973 21.083 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.179 22.714 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.040 23.358 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.853 21.813 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.889 21.001 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.869 22.768 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.335 22.762 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.192 23.889 2.070 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.607 16.896 5.957 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.336 15.718 6.493 1.00 0.00 C ATOM 1606 C PRO A 105 -5.481 16.139 7.415 1.00 0.00 C ATOM 1607 O PRO A 105 -6.418 15.382 7.673 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.280 14.952 7.272 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.206 15.937 7.529 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.214 16.920 6.401 1.00 0.00 C ATOM 0 HA PRO A 105 -4.795 15.126 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.685 14.558 8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.908 14.101 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.371 16.444 8.480 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.238 15.440 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.912 17.914 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.531 16.626 5.604 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.368 17.350 7.948 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.452 18.002 8.693 1.00 0.00 C ATOM 1620 C LYS A 106 -7.716 18.151 7.833 1.00 0.00 C ATOM 1621 O LYS A 106 -8.804 18.403 8.344 1.00 0.00 O ATOM 1622 CB LYS A 106 -5.995 19.358 9.215 1.00 0.00 C ATOM 1623 CG LYS A 106 -5.433 20.291 8.139 1.00 0.00 C ATOM 1624 CD LYS A 106 -4.921 21.587 8.747 1.00 0.00 C ATOM 1625 CE LYS A 106 -6.051 22.491 9.214 1.00 0.00 C ATOM 1626 NZ LYS A 106 -6.810 23.071 8.082 1.00 0.00 N ATOM 0 H LYS A 106 -4.521 17.914 7.878 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.704 17.366 9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.837 19.850 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.233 19.202 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.623 19.791 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.208 20.512 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.270 21.358 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.315 22.116 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.729 21.922 9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.641 23.296 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.602 24.087 8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.533 22.596 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.829 22.937 8.242 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.544 17.990 6.547 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.603 18.091 5.585 1.00 0.00 C ATOM 1642 C GLU A 107 -8.645 16.824 4.724 1.00 0.00 C ATOM 1643 O GLU A 107 -9.055 16.858 3.574 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.377 19.346 4.748 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.584 20.618 5.555 1.00 0.00 C ATOM 1646 CD GLU A 107 -8.002 21.832 4.912 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -8.461 22.238 3.825 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -7.055 22.405 5.475 1.00 0.00 O ATOM 0 H GLU A 107 -6.637 17.779 6.131 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.570 18.175 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.365 19.334 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.059 19.342 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.652 20.773 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.138 20.490 6.541 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.243 15.704 5.326 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.279 14.375 4.713 1.00 0.00 C ATOM 1657 C ASP A 108 -9.727 13.862 4.704 1.00 0.00 C ATOM 1658 O ASP A 108 -10.626 14.545 5.196 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.269 13.428 5.475 1.00 0.00 C ATOM 1660 CG ASP A 108 -7.541 11.928 5.417 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -7.650 11.368 4.319 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -7.645 11.300 6.480 1.00 0.00 O ATOM 0 H ASP A 108 -7.874 15.695 6.277 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.955 14.405 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.271 13.606 5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.250 13.728 6.523 1.00 0.00 H new ATOM 1667 N THR A 109 -9.959 12.720 4.106 1.00 0.00 N ATOM 1668 CA THR A 109 -11.273 12.145 4.010 1.00 0.00 C ATOM 1669 C THR A 109 -11.769 11.806 5.410 1.00 0.00 C ATOM 1670 O THR A 109 -12.948 12.034 5.731 1.00 0.00 O ATOM 1671 CB THR A 109 -11.274 10.902 3.054 1.00 0.00 C ATOM 1672 OG1 THR A 109 -12.578 10.302 2.961 1.00 0.00 O ATOM 1673 CG2 THR A 109 -10.253 9.865 3.498 1.00 0.00 C ATOM 0 H THR A 109 -9.229 12.158 3.667 1.00 0.00 H new ATOM 0 HA THR A 109 -11.962 12.866 3.569 1.00 0.00 H new ATOM 0 HB THR A 109 -10.996 11.264 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.541 9.532 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.277 9.015 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.257 10.308 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.492 9.528 4.507 1.00 0.00 H new TER 1681 THR A 109