USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 927 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 35 HIS : no HE2:sc= -5.35! C(o=-5.4!,f=-3.5!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00813 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 52:sc= 1.16 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -60:sc= 0.213 USER MOD Single : A 32 SER OG : rot 180:sc= -0.896 USER MOD Single : A 33 SER OG : rot 180:sc= 0.126 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.88 K(o=-1.9,f=-7.3!) USER MOD Single : A 53 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.55) USER MOD Single : A 54 ASN : amide:sc= -0.0855 X(o=-0.086,f=-0.49) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= -0.0267 (180deg=-0.192) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.62) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.35) USER MOD Single : A 91 SER OG : rot -58:sc= 0.1 USER MOD Single : A 92 SER OG : rot 20:sc= 0.653 USER MOD Single : A 93 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-0.19) USER MOD Single : A 94 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 97 THR OG1 : rot -46:sc= 0.941 USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00381) USER MOD Single : A 102 ASN : amide:sc= -1.93! C(o=-1.9!,f=-13!) USER MOD Single : A 103 ASN : amide:sc= -7.1! C(o=-7.1!,f=-13!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -129:sc= 0.0597 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 120 THR OG1 : rot 48:sc= 0.762 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.332 21.465 -43.537 1.00 0.00 N ATOM 2 CA GLY A 1 -19.793 20.173 -43.153 1.00 0.00 C ATOM 3 C GLY A 1 -20.542 19.555 -41.989 1.00 0.00 C ATOM 4 O GLY A 1 -20.054 19.556 -40.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.786 21.845 -44.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.327 21.356 -43.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.269 22.120 -42.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.834 19.497 -44.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.742 20.286 -42.886 1.00 0.00 H new ATOM 8 N SER A 2 -21.730 19.028 -42.264 1.00 0.00 N ATOM 9 CA SER A 2 -22.550 18.409 -41.229 1.00 0.00 C ATOM 10 C SER A 2 -21.762 17.340 -40.479 1.00 0.00 C ATOM 11 O SER A 2 -21.809 17.265 -39.251 1.00 0.00 O ATOM 12 CB SER A 2 -23.808 17.794 -41.845 1.00 0.00 C ATOM 13 OG SER A 2 -23.475 16.801 -42.800 1.00 0.00 O ATOM 0 H SER A 2 -22.147 19.017 -43.195 1.00 0.00 H new ATOM 0 HA SER A 2 -22.843 19.184 -40.520 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.424 17.356 -41.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.403 18.574 -42.319 1.00 0.00 H new ATOM 0 HG SER A 2 -24.296 16.422 -43.178 1.00 0.00 H new ATOM 19 N SER A 3 -21.038 16.514 -41.227 1.00 0.00 N ATOM 20 CA SER A 3 -20.242 15.445 -40.634 1.00 0.00 C ATOM 21 C SER A 3 -18.940 15.993 -40.058 1.00 0.00 C ATOM 22 O SER A 3 -18.583 17.147 -40.290 1.00 0.00 O ATOM 23 CB SER A 3 -19.938 14.368 -41.678 1.00 0.00 C ATOM 24 OG SER A 3 -19.572 13.147 -41.059 1.00 0.00 O ATOM 0 H SER A 3 -20.986 16.564 -42.244 1.00 0.00 H new ATOM 0 HA SER A 3 -20.820 15.002 -39.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.813 14.212 -42.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.132 14.705 -42.329 1.00 0.00 H new ATOM 0 HG SER A 3 -19.385 12.475 -41.747 1.00 0.00 H new ATOM 30 N GLY A 4 -18.235 15.155 -39.304 1.00 0.00 N ATOM 31 CA GLY A 4 -16.980 15.572 -38.706 1.00 0.00 C ATOM 32 C GLY A 4 -16.598 14.723 -37.509 1.00 0.00 C ATOM 33 O GLY A 4 -17.437 14.422 -36.660 1.00 0.00 O ATOM 0 H GLY A 4 -18.510 14.195 -39.097 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.189 15.517 -39.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.056 16.615 -38.398 1.00 0.00 H new ATOM 37 N SER A 5 -15.329 14.335 -37.443 1.00 0.00 N ATOM 38 CA SER A 5 -14.838 13.510 -36.344 1.00 0.00 C ATOM 39 C SER A 5 -13.340 13.713 -36.140 1.00 0.00 C ATOM 40 O SER A 5 -12.540 13.464 -37.042 1.00 0.00 O ATOM 41 CB SER A 5 -15.132 12.034 -36.616 1.00 0.00 C ATOM 42 OG SER A 5 -15.136 11.285 -35.413 1.00 0.00 O ATOM 0 H SER A 5 -14.622 14.578 -38.137 1.00 0.00 H new ATOM 0 HA SER A 5 -15.355 13.814 -35.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.098 11.938 -37.111 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.383 11.630 -37.297 1.00 0.00 H new ATOM 0 HG SER A 5 -15.328 10.345 -35.613 1.00 0.00 H new ATOM 48 N SER A 6 -12.968 14.167 -34.948 1.00 0.00 N ATOM 49 CA SER A 6 -11.566 14.408 -34.625 1.00 0.00 C ATOM 50 C SER A 6 -10.858 13.103 -34.273 1.00 0.00 C ATOM 51 O SER A 6 -9.896 12.709 -34.930 1.00 0.00 O ATOM 52 CB SER A 6 -11.451 15.393 -33.460 1.00 0.00 C ATOM 53 OG SER A 6 -11.511 16.733 -33.919 1.00 0.00 O ATOM 0 H SER A 6 -13.617 14.376 -34.190 1.00 0.00 H new ATOM 0 HA SER A 6 -11.085 14.837 -35.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.255 15.213 -32.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.512 15.228 -32.931 1.00 0.00 H new ATOM 0 HG SER A 6 -11.437 17.344 -33.156 1.00 0.00 H new ATOM 59 N GLY A 7 -11.343 12.436 -33.229 1.00 0.00 N ATOM 60 CA GLY A 7 -10.746 11.183 -32.807 1.00 0.00 C ATOM 61 C GLY A 7 -10.112 11.277 -31.433 1.00 0.00 C ATOM 62 O GLY A 7 -8.914 11.524 -31.295 1.00 0.00 O ATOM 0 H GLY A 7 -12.139 12.742 -32.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.509 10.405 -32.799 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.991 10.881 -33.533 1.00 0.00 H new ATOM 66 N PRO A 8 -10.926 11.077 -30.387 1.00 0.00 N ATOM 67 CA PRO A 8 -10.460 11.137 -28.998 1.00 0.00 C ATOM 68 C PRO A 8 -9.553 9.965 -28.641 1.00 0.00 C ATOM 69 O PRO A 8 -9.610 8.909 -29.270 1.00 0.00 O ATOM 70 CB PRO A 8 -11.756 11.077 -28.186 1.00 0.00 C ATOM 71 CG PRO A 8 -12.728 10.380 -29.074 1.00 0.00 C ATOM 72 CD PRO A 8 -12.365 10.777 -30.478 1.00 0.00 C ATOM 0 HA PRO A 8 -9.862 12.028 -28.806 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.613 10.534 -27.252 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.105 12.076 -27.924 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.668 9.299 -28.946 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.751 10.672 -28.838 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.564 9.973 -31.187 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.936 11.644 -30.811 1.00 0.00 H new ATOM 80 N ALA A 9 -8.717 10.158 -27.626 1.00 0.00 N ATOM 81 CA ALA A 9 -7.799 9.115 -27.183 1.00 0.00 C ATOM 82 C ALA A 9 -7.459 9.274 -25.705 1.00 0.00 C ATOM 83 O ALA A 9 -7.972 10.169 -25.031 1.00 0.00 O ATOM 84 CB ALA A 9 -6.531 9.137 -28.023 1.00 0.00 C ATOM 0 H ALA A 9 -8.656 11.027 -27.095 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.292 8.152 -27.314 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.855 8.353 -27.681 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.785 8.967 -29.069 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.044 10.107 -27.921 1.00 0.00 H new ATOM 90 N THR A 10 -6.592 8.400 -25.204 1.00 0.00 N ATOM 91 CA THR A 10 -6.186 8.442 -23.805 1.00 0.00 C ATOM 92 C THR A 10 -4.728 8.027 -23.644 1.00 0.00 C ATOM 93 O THR A 10 -4.360 6.889 -23.935 1.00 0.00 O ATOM 94 CB THR A 10 -7.067 7.526 -22.936 1.00 0.00 C ATOM 95 OG1 THR A 10 -8.449 7.847 -23.131 1.00 0.00 O ATOM 96 CG2 THR A 10 -6.711 7.670 -21.464 1.00 0.00 C ATOM 0 H THR A 10 -6.157 7.654 -25.747 1.00 0.00 H new ATOM 0 HA THR A 10 -6.307 9.473 -23.472 1.00 0.00 H new ATOM 0 HB THR A 10 -6.888 6.494 -23.238 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.003 7.259 -22.576 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.347 7.013 -20.870 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.666 7.397 -21.314 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.865 8.703 -21.152 1.00 0.00 H new ATOM 104 N ASP A 11 -3.901 8.957 -23.177 1.00 0.00 N ATOM 105 CA ASP A 11 -2.483 8.687 -22.975 1.00 0.00 C ATOM 106 C ASP A 11 -2.192 8.374 -21.510 1.00 0.00 C ATOM 107 O ASP A 11 -2.984 8.702 -20.626 1.00 0.00 O ATOM 108 CB ASP A 11 -1.644 9.883 -23.429 1.00 0.00 C ATOM 109 CG ASP A 11 -1.495 9.945 -24.937 1.00 0.00 C ATOM 110 OD1 ASP A 11 -2.510 10.181 -25.624 1.00 0.00 O ATOM 111 OD2 ASP A 11 -0.362 9.757 -25.429 1.00 0.00 O ATOM 0 H ASP A 11 -4.189 9.904 -22.931 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.216 7.817 -23.574 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.107 10.804 -23.074 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.657 9.826 -22.971 1.00 0.00 H new ATOM 116 N TRP A 12 -1.054 7.737 -21.261 1.00 0.00 N ATOM 117 CA TRP A 12 -0.660 7.379 -19.903 1.00 0.00 C ATOM 118 C TRP A 12 -0.616 8.611 -19.006 1.00 0.00 C ATOM 119 O TRP A 12 0.107 9.568 -19.285 1.00 0.00 O ATOM 120 CB TRP A 12 0.705 6.689 -19.911 1.00 0.00 C ATOM 121 CG TRP A 12 0.835 5.640 -20.974 1.00 0.00 C ATOM 122 CD1 TRP A 12 1.100 5.844 -22.299 1.00 0.00 C ATOM 123 CD2 TRP A 12 0.703 4.225 -20.802 1.00 0.00 C ATOM 124 NE1 TRP A 12 1.140 4.640 -22.960 1.00 0.00 N ATOM 125 CE2 TRP A 12 0.901 3.632 -22.064 1.00 0.00 C ATOM 126 CE3 TRP A 12 0.439 3.401 -19.705 1.00 0.00 C ATOM 127 CZ2 TRP A 12 0.842 2.254 -22.256 1.00 0.00 C ATOM 128 CZ3 TRP A 12 0.380 2.034 -19.897 1.00 0.00 C ATOM 129 CH2 TRP A 12 0.582 1.471 -21.164 1.00 0.00 C ATOM 0 H TRP A 12 -0.388 7.458 -21.981 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.405 6.690 -19.505 1.00 0.00 H new ATOM 0 HB2 TRP A 12 1.482 7.439 -20.054 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.879 6.232 -18.937 1.00 0.00 H new ATOM 0 HD1 TRP A 12 1.255 6.809 -22.759 1.00 0.00 H new ATOM 0 HE1 TRP A 12 1.319 4.517 -23.957 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.284 3.825 -18.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 0.996 1.819 -23.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.175 1.388 -19.056 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.532 0.399 -21.281 1.00 0.00 H new ATOM 140 N LEU A 13 -1.392 8.581 -17.928 1.00 0.00 N ATOM 141 CA LEU A 13 -1.441 9.696 -16.989 1.00 0.00 C ATOM 142 C LEU A 13 -1.216 9.214 -15.560 1.00 0.00 C ATOM 143 O LEU A 13 -1.253 8.015 -15.285 1.00 0.00 O ATOM 144 CB LEU A 13 -2.787 10.416 -17.091 1.00 0.00 C ATOM 145 CG LEU A 13 -4.025 9.566 -16.803 1.00 0.00 C ATOM 146 CD1 LEU A 13 -5.134 10.423 -16.213 1.00 0.00 C ATOM 147 CD2 LEU A 13 -4.502 8.872 -18.071 1.00 0.00 C ATOM 0 H LEU A 13 -1.996 7.796 -17.683 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.643 10.392 -17.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.780 11.258 -16.399 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.880 10.830 -18.095 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.757 8.802 -16.074 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.007 9.802 -16.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.790 10.873 -15.282 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.401 11.209 -16.919 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.384 8.271 -17.847 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.754 9.620 -18.823 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.711 8.227 -18.452 1.00 0.00 H new ATOM 159 N SER A 14 -0.984 10.158 -14.652 1.00 0.00 N ATOM 160 CA SER A 14 -0.752 9.830 -13.251 1.00 0.00 C ATOM 161 C SER A 14 -2.054 9.434 -12.562 1.00 0.00 C ATOM 162 O SER A 14 -2.713 10.262 -11.933 1.00 0.00 O ATOM 163 CB SER A 14 -0.118 11.018 -12.525 1.00 0.00 C ATOM 164 OG SER A 14 -1.003 12.124 -12.489 1.00 0.00 O ATOM 0 H SER A 14 -0.952 11.156 -14.863 1.00 0.00 H new ATOM 0 HA SER A 14 -0.068 8.982 -13.211 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.148 10.728 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.806 11.304 -13.027 1.00 0.00 H new ATOM 0 HG SER A 14 -1.872 11.836 -12.140 1.00 0.00 H new ATOM 170 N ALA A 15 -2.420 8.163 -12.686 1.00 0.00 N ATOM 171 CA ALA A 15 -3.642 7.656 -12.075 1.00 0.00 C ATOM 172 C ALA A 15 -3.488 7.528 -10.563 1.00 0.00 C ATOM 173 O ALA A 15 -2.428 7.146 -10.069 1.00 0.00 O ATOM 174 CB ALA A 15 -4.020 6.314 -12.684 1.00 0.00 C ATOM 0 H ALA A 15 -1.887 7.465 -13.205 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.441 8.370 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.935 5.948 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.181 6.433 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.215 5.598 -12.516 1.00 0.00 H new ATOM 180 N GLU A 16 -4.552 7.852 -9.834 1.00 0.00 N ATOM 181 CA GLU A 16 -4.532 7.775 -8.379 1.00 0.00 C ATOM 182 C GLU A 16 -5.372 6.601 -7.885 1.00 0.00 C ATOM 183 O GLU A 16 -6.081 6.706 -6.884 1.00 0.00 O ATOM 184 CB GLU A 16 -5.051 9.079 -7.769 1.00 0.00 C ATOM 185 CG GLU A 16 -6.513 9.355 -8.077 1.00 0.00 C ATOM 186 CD GLU A 16 -6.725 9.863 -9.490 1.00 0.00 C ATOM 187 OE1 GLU A 16 -5.878 10.641 -9.976 1.00 0.00 O ATOM 188 OE2 GLU A 16 -7.740 9.481 -10.110 1.00 0.00 O ATOM 0 H GLU A 16 -5.438 8.170 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.500 7.620 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.917 9.043 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.448 9.908 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.090 8.441 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.897 10.089 -7.369 1.00 0.00 H new ATOM 195 N THR A 17 -5.287 5.480 -8.595 1.00 0.00 N ATOM 196 CA THR A 17 -6.040 4.286 -8.232 1.00 0.00 C ATOM 197 C THR A 17 -5.118 3.082 -8.071 1.00 0.00 C ATOM 198 O THR A 17 -4.320 2.777 -8.957 1.00 0.00 O ATOM 199 CB THR A 17 -7.116 3.958 -9.284 1.00 0.00 C ATOM 200 OG1 THR A 17 -7.909 5.119 -9.552 1.00 0.00 O ATOM 201 CG2 THR A 17 -8.011 2.824 -8.807 1.00 0.00 C ATOM 0 H THR A 17 -4.704 5.374 -9.425 1.00 0.00 H new ATOM 0 HA THR A 17 -6.527 4.497 -7.280 1.00 0.00 H new ATOM 0 HB THR A 17 -6.614 3.643 -10.199 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.590 4.903 -10.223 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.763 2.610 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.408 1.933 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.504 3.115 -7.880 1.00 0.00 H new ATOM 209 N PHE A 18 -5.233 2.401 -6.936 1.00 0.00 N ATOM 210 CA PHE A 18 -4.410 1.230 -6.660 1.00 0.00 C ATOM 211 C PHE A 18 -5.266 0.065 -6.173 1.00 0.00 C ATOM 212 O PHE A 18 -5.930 0.158 -5.141 1.00 0.00 O ATOM 213 CB PHE A 18 -3.343 1.566 -5.615 1.00 0.00 C ATOM 214 CG PHE A 18 -2.217 2.400 -6.154 1.00 0.00 C ATOM 215 CD1 PHE A 18 -2.401 3.748 -6.418 1.00 0.00 C ATOM 216 CD2 PHE A 18 -0.974 1.838 -6.396 1.00 0.00 C ATOM 217 CE1 PHE A 18 -1.367 4.518 -6.915 1.00 0.00 C ATOM 218 CE2 PHE A 18 0.064 2.603 -6.893 1.00 0.00 C ATOM 219 CZ PHE A 18 -0.132 3.945 -7.151 1.00 0.00 C ATOM 0 H PHE A 18 -5.889 2.640 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.920 0.934 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.812 2.096 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.937 0.639 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.363 4.202 -6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.814 0.789 -6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.524 5.567 -7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.027 2.152 -7.079 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.678 4.546 -7.537 1.00 0.00 H new ATOM 229 N GLU A 19 -5.246 -1.031 -6.925 1.00 0.00 N ATOM 230 CA GLU A 19 -6.022 -2.214 -6.571 1.00 0.00 C ATOM 231 C GLU A 19 -5.271 -3.074 -5.559 1.00 0.00 C ATOM 232 O GLU A 19 -4.041 -3.120 -5.559 1.00 0.00 O ATOM 233 CB GLU A 19 -6.338 -3.037 -7.822 1.00 0.00 C ATOM 234 CG GLU A 19 -7.549 -2.536 -8.590 1.00 0.00 C ATOM 235 CD GLU A 19 -8.061 -3.547 -9.597 1.00 0.00 C ATOM 236 OE1 GLU A 19 -7.239 -4.085 -10.369 1.00 0.00 O ATOM 237 OE2 GLU A 19 -9.284 -3.802 -9.613 1.00 0.00 O ATOM 0 H GLU A 19 -4.701 -1.124 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.956 -1.882 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.470 -3.027 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.506 -4.074 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.346 -2.294 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.290 -1.613 -9.108 1.00 0.00 H new ATOM 244 N SER A 20 -6.021 -3.755 -4.698 1.00 0.00 N ATOM 245 CA SER A 20 -5.427 -4.610 -3.677 1.00 0.00 C ATOM 246 C SER A 20 -5.154 -6.006 -4.230 1.00 0.00 C ATOM 247 O SER A 20 -5.571 -7.008 -3.649 1.00 0.00 O ATOM 248 CB SER A 20 -6.349 -4.703 -2.460 1.00 0.00 C ATOM 249 OG SER A 20 -5.605 -4.913 -1.272 1.00 0.00 O ATOM 0 H SER A 20 -7.041 -3.731 -4.687 1.00 0.00 H new ATOM 0 HA SER A 20 -4.479 -4.166 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.932 -3.786 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.058 -5.519 -2.598 1.00 0.00 H new ATOM 0 HG SER A 20 -6.217 -4.967 -0.508 1.00 0.00 H new ATOM 255 N ASP A 21 -4.452 -6.062 -5.356 1.00 0.00 N ATOM 256 CA ASP A 21 -4.121 -7.334 -5.988 1.00 0.00 C ATOM 257 C ASP A 21 -2.620 -7.445 -6.235 1.00 0.00 C ATOM 258 O ASP A 21 -2.184 -7.807 -7.328 1.00 0.00 O ATOM 259 CB ASP A 21 -4.880 -7.484 -7.308 1.00 0.00 C ATOM 260 CG ASP A 21 -5.063 -8.935 -7.709 1.00 0.00 C ATOM 261 OD1 ASP A 21 -4.044 -9.629 -7.909 1.00 0.00 O ATOM 262 OD2 ASP A 21 -6.226 -9.376 -7.821 1.00 0.00 O ATOM 0 H ASP A 21 -4.101 -5.242 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.419 -8.136 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.857 -7.009 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.341 -6.958 -8.096 1.00 0.00 H new ATOM 267 N LEU A 22 -1.833 -7.130 -5.212 1.00 0.00 N ATOM 268 CA LEU A 22 -0.380 -7.193 -5.317 1.00 0.00 C ATOM 269 C LEU A 22 0.192 -8.223 -4.348 1.00 0.00 C ATOM 270 O LEU A 22 -0.482 -8.649 -3.410 1.00 0.00 O ATOM 271 CB LEU A 22 0.232 -5.819 -5.037 1.00 0.00 C ATOM 272 CG LEU A 22 0.364 -4.886 -6.241 1.00 0.00 C ATOM 273 CD1 LEU A 22 1.363 -5.444 -7.242 1.00 0.00 C ATOM 274 CD2 LEU A 22 -0.991 -4.670 -6.900 1.00 0.00 C ATOM 0 H LEU A 22 -2.177 -6.828 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.127 -7.497 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.374 -5.320 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.222 -5.965 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 22 0.733 -3.922 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.444 -4.766 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.338 -5.545 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.025 -6.421 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.878 -4.003 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.389 -5.627 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.678 -4.224 -6.181 1.00 0.00 H new ATOM 286 N ASP A 23 1.439 -8.618 -4.580 1.00 0.00 N ATOM 287 CA ASP A 23 2.104 -9.596 -3.727 1.00 0.00 C ATOM 288 C ASP A 23 2.528 -8.963 -2.405 1.00 0.00 C ATOM 289 O ASP A 23 3.491 -8.198 -2.354 1.00 0.00 O ATOM 290 CB ASP A 23 3.322 -10.183 -4.440 1.00 0.00 C ATOM 291 CG ASP A 23 3.608 -11.611 -4.017 1.00 0.00 C ATOM 292 OD1 ASP A 23 3.399 -11.930 -2.828 1.00 0.00 O ATOM 293 OD2 ASP A 23 4.042 -12.408 -4.875 1.00 0.00 O ATOM 0 H ASP A 23 2.010 -8.275 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 23 1.397 -10.398 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.159 -10.152 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.195 -9.564 -4.232 1.00 0.00 H new ATOM 298 N GLU A 24 1.803 -9.288 -1.339 1.00 0.00 N ATOM 299 CA GLU A 24 2.105 -8.749 -0.018 1.00 0.00 C ATOM 300 C GLU A 24 2.241 -9.870 1.008 1.00 0.00 C ATOM 301 O GLU A 24 1.825 -9.729 2.159 1.00 0.00 O ATOM 302 CB GLU A 24 1.012 -7.771 0.420 1.00 0.00 C ATOM 303 CG GLU A 24 1.418 -6.889 1.589 1.00 0.00 C ATOM 304 CD GLU A 24 0.299 -5.973 2.044 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.685 -5.819 1.290 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.407 -5.409 3.153 1.00 0.00 O ATOM 0 H GLU A 24 1.004 -9.921 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 24 3.055 -8.218 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.742 -7.138 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.120 -8.335 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.730 -7.518 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.281 -6.288 1.303 1.00 0.00 H new ATOM 313 N THR A 25 2.827 -10.986 0.584 1.00 0.00 N ATOM 314 CA THR A 25 3.017 -12.132 1.463 1.00 0.00 C ATOM 315 C THR A 25 4.494 -12.353 1.767 1.00 0.00 C ATOM 316 O THR A 25 4.844 -13.067 2.707 1.00 0.00 O ATOM 317 CB THR A 25 2.434 -13.417 0.846 1.00 0.00 C ATOM 318 OG1 THR A 25 3.121 -13.731 -0.371 1.00 0.00 O ATOM 319 CG2 THR A 25 0.947 -13.257 0.567 1.00 0.00 C ATOM 0 H THR A 25 3.178 -11.120 -0.364 1.00 0.00 H new ATOM 0 HA THR A 25 2.487 -11.910 2.389 1.00 0.00 H new ATOM 0 HB THR A 25 2.569 -14.230 1.560 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.011 -12.994 -1.008 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.557 -14.177 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.423 -13.046 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.794 -12.433 -0.130 1.00 0.00 H new ATOM 327 N ARG A 26 5.357 -11.734 0.968 1.00 0.00 N ATOM 328 CA ARG A 26 6.797 -11.864 1.152 1.00 0.00 C ATOM 329 C ARG A 26 7.479 -10.500 1.088 1.00 0.00 C ATOM 330 O ARG A 26 6.942 -9.552 0.514 1.00 0.00 O ATOM 331 CB ARG A 26 7.387 -12.791 0.087 1.00 0.00 C ATOM 332 CG ARG A 26 7.116 -12.334 -1.337 1.00 0.00 C ATOM 333 CD ARG A 26 8.200 -12.809 -2.291 1.00 0.00 C ATOM 334 NE ARG A 26 7.698 -12.973 -3.652 1.00 0.00 N ATOM 335 CZ ARG A 26 6.954 -14.002 -4.043 1.00 0.00 C ATOM 336 NH1 ARG A 26 6.627 -14.953 -3.179 1.00 0.00 N ATOM 337 NH2 ARG A 26 6.535 -14.080 -5.299 1.00 0.00 N ATOM 0 H ARG A 26 5.084 -11.138 0.187 1.00 0.00 H new ATOM 0 HA ARG A 26 6.974 -12.294 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.464 -12.864 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.978 -13.792 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.149 -12.715 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.056 -11.246 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.022 -12.093 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.604 -13.757 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 26 7.931 -12.258 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.947 -14.895 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.056 -15.742 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.784 -13.350 -5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.964 -14.870 -5.598 1.00 0.00 H new ATOM 351 N VAL A 27 8.664 -10.408 1.682 1.00 0.00 N ATOM 352 CA VAL A 27 9.420 -9.161 1.693 1.00 0.00 C ATOM 353 C VAL A 27 9.969 -8.840 0.307 1.00 0.00 C ATOM 354 O VAL A 27 10.211 -9.725 -0.513 1.00 0.00 O ATOM 355 CB VAL A 27 10.588 -9.221 2.695 1.00 0.00 C ATOM 356 CG1 VAL A 27 10.065 -9.289 4.121 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.489 -10.408 2.391 1.00 0.00 C ATOM 0 H VAL A 27 9.122 -11.183 2.162 1.00 0.00 H new ATOM 0 HA VAL A 27 8.730 -8.375 1.999 1.00 0.00 H new ATOM 0 HB VAL A 27 11.179 -8.310 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.905 -9.331 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.465 -8.404 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.450 -10.181 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.309 -10.435 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.913 -11.330 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.892 -10.310 1.383 1.00 0.00 H new ATOM 367 N PRO A 28 10.170 -7.541 0.038 1.00 0.00 N ATOM 368 CA PRO A 28 10.695 -7.072 -1.248 1.00 0.00 C ATOM 369 C PRO A 28 12.160 -7.442 -1.447 1.00 0.00 C ATOM 370 O PRO A 28 13.048 -6.843 -0.841 1.00 0.00 O ATOM 371 CB PRO A 28 10.533 -5.552 -1.164 1.00 0.00 C ATOM 372 CG PRO A 28 10.546 -5.250 0.295 1.00 0.00 C ATOM 373 CD PRO A 28 9.903 -6.431 0.968 1.00 0.00 C ATOM 0 HA PRO A 28 10.172 -7.524 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.343 -5.038 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.602 -5.227 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.565 -5.103 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.997 -4.333 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.335 -6.618 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.834 -6.277 1.114 1.00 0.00 H new ATOM 381 N GLU A 29 12.406 -8.432 -2.300 1.00 0.00 N ATOM 382 CA GLU A 29 13.765 -8.881 -2.577 1.00 0.00 C ATOM 383 C GLU A 29 14.654 -7.708 -2.980 1.00 0.00 C ATOM 384 O GLU A 29 14.174 -6.701 -3.501 1.00 0.00 O ATOM 385 CB GLU A 29 13.762 -9.937 -3.684 1.00 0.00 C ATOM 386 CG GLU A 29 12.818 -11.097 -3.415 1.00 0.00 C ATOM 387 CD GLU A 29 12.279 -11.717 -4.690 1.00 0.00 C ATOM 388 OE1 GLU A 29 11.350 -11.133 -5.286 1.00 0.00 O ATOM 389 OE2 GLU A 29 12.785 -12.786 -5.090 1.00 0.00 O ATOM 0 H GLU A 29 11.682 -8.938 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 29 14.167 -9.323 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.484 -9.464 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.773 -10.324 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.340 -11.859 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.985 -10.749 -2.804 1.00 0.00 H new ATOM 396 N VAL A 30 15.953 -7.846 -2.735 1.00 0.00 N ATOM 397 CA VAL A 30 16.910 -6.799 -3.072 1.00 0.00 C ATOM 398 C VAL A 30 16.488 -6.054 -4.334 1.00 0.00 C ATOM 399 O VAL A 30 16.029 -6.646 -5.310 1.00 0.00 O ATOM 400 CB VAL A 30 18.323 -7.376 -3.280 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.300 -8.486 -4.319 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.293 -6.276 -3.684 1.00 0.00 C ATOM 0 H VAL A 30 16.367 -8.673 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 30 16.928 -6.105 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 30 18.665 -7.802 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.307 -8.881 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.638 -9.285 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.938 -8.089 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.286 -6.701 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.957 -5.818 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.332 -5.519 -2.901 1.00 0.00 H new ATOM 412 N PRO A 31 16.646 -4.722 -4.315 1.00 0.00 N ATOM 413 CA PRO A 31 16.287 -3.866 -5.450 1.00 0.00 C ATOM 414 C PRO A 31 17.222 -4.059 -6.639 1.00 0.00 C ATOM 415 O PRO A 31 18.243 -4.738 -6.534 1.00 0.00 O ATOM 416 CB PRO A 31 16.425 -2.450 -4.885 1.00 0.00 C ATOM 417 CG PRO A 31 17.406 -2.582 -3.771 1.00 0.00 C ATOM 418 CD PRO A 31 17.187 -3.949 -3.184 1.00 0.00 C ATOM 0 HA PRO A 31 15.291 -4.091 -5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.780 -1.753 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.468 -2.071 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.427 -2.473 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.251 -1.806 -3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.116 -4.380 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.490 -3.920 -2.347 1.00 0.00 H new ATOM 426 N SER A 32 16.867 -3.456 -7.769 1.00 0.00 N ATOM 427 CA SER A 32 17.673 -3.564 -8.979 1.00 0.00 C ATOM 428 C SER A 32 19.121 -3.170 -8.705 1.00 0.00 C ATOM 429 O SER A 32 20.052 -3.874 -9.095 1.00 0.00 O ATOM 430 CB SER A 32 17.093 -2.680 -10.085 1.00 0.00 C ATOM 431 OG SER A 32 16.022 -3.329 -10.748 1.00 0.00 O ATOM 0 H SER A 32 16.026 -2.888 -7.872 1.00 0.00 H new ATOM 0 HA SER A 32 17.653 -4.603 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.744 -1.740 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.874 -2.433 -10.804 1.00 0.00 H new ATOM 0 HG SER A 32 15.668 -2.743 -11.449 1.00 0.00 H new ATOM 437 N SER A 33 19.302 -2.039 -8.029 1.00 0.00 N ATOM 438 CA SER A 33 20.636 -1.548 -7.705 1.00 0.00 C ATOM 439 C SER A 33 20.558 -0.311 -6.815 1.00 0.00 C ATOM 440 O SER A 33 19.475 0.098 -6.394 1.00 0.00 O ATOM 441 CB SER A 33 21.408 -1.222 -8.985 1.00 0.00 C ATOM 442 OG SER A 33 22.788 -1.046 -8.717 1.00 0.00 O ATOM 0 H SER A 33 18.542 -1.446 -7.696 1.00 0.00 H new ATOM 0 HA SER A 33 21.163 -2.332 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 33 21.275 -2.026 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.004 -0.316 -9.437 1.00 0.00 H new ATOM 0 HG SER A 33 23.260 -0.840 -9.551 1.00 0.00 H new ATOM 448 N LEU A 34 21.713 0.281 -6.533 1.00 0.00 N ATOM 449 CA LEU A 34 21.777 1.472 -5.693 1.00 0.00 C ATOM 450 C LEU A 34 22.955 2.356 -6.091 1.00 0.00 C ATOM 451 O LEU A 34 24.114 1.969 -5.938 1.00 0.00 O ATOM 452 CB LEU A 34 21.896 1.076 -4.221 1.00 0.00 C ATOM 453 CG LEU A 34 22.679 2.040 -3.328 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.882 3.313 -3.090 1.00 0.00 C ATOM 455 CD2 LEU A 34 23.031 1.374 -2.005 1.00 0.00 C ATOM 0 H LEU A 34 22.618 -0.044 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 34 20.857 2.038 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.891 0.968 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.369 0.096 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 34 23.606 2.305 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.455 3.987 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.680 3.800 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.939 3.066 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.588 2.074 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.116 1.080 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.642 0.491 -2.193 1.00 0.00 H new ATOM 467 N HIS A 35 22.651 3.545 -6.601 1.00 0.00 N ATOM 468 CA HIS A 35 23.685 4.485 -7.018 1.00 0.00 C ATOM 469 C HIS A 35 23.927 5.539 -5.942 1.00 0.00 C ATOM 470 O HIS A 35 23.010 5.918 -5.212 1.00 0.00 O ATOM 471 CB HIS A 35 23.289 5.162 -8.331 1.00 0.00 C ATOM 472 CG HIS A 35 23.870 6.532 -8.497 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.591 6.914 -9.609 1.00 0.00 N ATOM 474 CD2 HIS A 35 23.831 7.615 -7.686 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.972 8.172 -9.473 1.00 0.00 C ATOM 476 NE2 HIS A 35 24.523 8.620 -8.314 1.00 0.00 N ATOM 0 H HIS A 35 21.697 3.880 -6.735 1.00 0.00 H new ATOM 0 HA HIS A 35 24.609 3.927 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.610 4.537 -9.164 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.202 5.228 -8.383 1.00 0.00 H new ATOM 0 HD1 HIS A 35 24.798 6.319 -10.411 1.00 0.00 H new ATOM 0 HD2 HIS A 35 23.345 7.677 -6.723 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.552 8.738 -10.188 1.00 0.00 H new ATOM 485 N VAL A 36 25.167 6.009 -5.849 1.00 0.00 N ATOM 486 CA VAL A 36 25.529 7.020 -4.862 1.00 0.00 C ATOM 487 C VAL A 36 26.513 8.029 -5.444 1.00 0.00 C ATOM 488 O VAL A 36 27.363 7.680 -6.263 1.00 0.00 O ATOM 489 CB VAL A 36 26.150 6.380 -3.606 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.076 5.714 -2.759 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.230 5.382 -3.994 1.00 0.00 C ATOM 0 H VAL A 36 25.938 5.706 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 36 24.609 7.534 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 36 26.613 7.167 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.534 5.267 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.342 6.459 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.581 4.938 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.657 4.940 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 36 26.795 4.597 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.013 5.893 -4.554 1.00 0.00 H new ATOM 501 N ARG A 37 26.391 9.281 -5.016 1.00 0.00 N ATOM 502 CA ARG A 37 27.269 10.341 -5.495 1.00 0.00 C ATOM 503 C ARG A 37 27.875 11.115 -4.328 1.00 0.00 C ATOM 504 O ARG A 37 27.199 11.883 -3.643 1.00 0.00 O ATOM 505 CB ARG A 37 26.499 11.296 -6.409 1.00 0.00 C ATOM 506 CG ARG A 37 27.385 12.301 -7.126 1.00 0.00 C ATOM 507 CD ARG A 37 26.563 13.388 -7.800 1.00 0.00 C ATOM 508 NE ARG A 37 27.319 14.079 -8.842 1.00 0.00 N ATOM 509 CZ ARG A 37 27.667 13.516 -9.993 1.00 0.00 C ATOM 510 NH1 ARG A 37 27.328 12.260 -10.250 1.00 0.00 N ATOM 511 NH2 ARG A 37 28.354 14.210 -10.891 1.00 0.00 N ATOM 0 H ARG A 37 25.692 9.586 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 37 28.078 9.880 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.952 10.714 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.759 11.834 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.074 12.754 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.991 11.786 -7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.666 12.947 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.233 14.109 -7.052 1.00 0.00 H new ATOM 0 HE ARG A 37 27.595 15.047 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.799 11.724 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 37 27.597 11.830 -11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 37 28.615 15.177 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 37 28.621 13.777 -11.775 1.00 0.00 H new ATOM 525 N PRO A 38 29.179 10.907 -4.094 1.00 0.00 N ATOM 526 CA PRO A 38 29.905 11.576 -3.010 1.00 0.00 C ATOM 527 C PRO A 38 30.088 13.067 -3.268 1.00 0.00 C ATOM 528 O PRO A 38 30.643 13.467 -4.292 1.00 0.00 O ATOM 529 CB PRO A 38 31.261 10.865 -2.999 1.00 0.00 C ATOM 530 CG PRO A 38 31.428 10.348 -4.386 1.00 0.00 C ATOM 531 CD PRO A 38 30.046 10.005 -4.870 1.00 0.00 C ATOM 0 HA PRO A 38 29.369 11.516 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.065 11.551 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.278 10.055 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.892 11.097 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.075 9.471 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.943 10.172 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.804 8.958 -4.686 1.00 0.00 H new ATOM 539 N LEU A 39 29.618 13.887 -2.333 1.00 0.00 N ATOM 540 CA LEU A 39 29.730 15.336 -2.460 1.00 0.00 C ATOM 541 C LEU A 39 30.612 15.912 -1.356 1.00 0.00 C ATOM 542 O LEU A 39 30.739 15.327 -0.280 1.00 0.00 O ATOM 543 CB LEU A 39 28.344 15.981 -2.410 1.00 0.00 C ATOM 544 CG LEU A 39 27.640 16.162 -3.754 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.953 14.872 -4.176 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.636 17.303 -3.681 1.00 0.00 C ATOM 0 H LEU A 39 29.156 13.573 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 39 30.192 15.557 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.706 15.375 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.437 16.958 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 39 28.391 16.412 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.457 15.021 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.695 14.079 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.214 14.591 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.144 17.417 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.890 17.083 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.154 18.228 -3.426 1.00 0.00 H new ATOM 558 N VAL A 40 31.218 17.063 -1.630 1.00 0.00 N ATOM 559 CA VAL A 40 32.085 17.720 -0.659 1.00 0.00 C ATOM 560 C VAL A 40 31.621 17.445 0.767 1.00 0.00 C ATOM 561 O VAL A 40 32.277 16.720 1.516 1.00 0.00 O ATOM 562 CB VAL A 40 32.130 19.243 -0.888 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.010 19.914 0.156 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.622 19.556 -2.293 1.00 0.00 C ATOM 0 H VAL A 40 31.125 17.560 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 40 33.085 17.309 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 40 31.120 19.639 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.030 20.989 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.609 19.718 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.023 19.516 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.647 20.636 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.624 19.148 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.948 19.108 -3.023 1.00 0.00 H new ATOM 574 N THR A 41 30.486 18.028 1.137 1.00 0.00 N ATOM 575 CA THR A 41 29.934 17.847 2.474 1.00 0.00 C ATOM 576 C THR A 41 28.559 17.192 2.417 1.00 0.00 C ATOM 577 O THR A 41 27.764 17.313 3.348 1.00 0.00 O ATOM 578 CB THR A 41 29.820 19.189 3.221 1.00 0.00 C ATOM 579 OG1 THR A 41 29.107 20.137 2.419 1.00 0.00 O ATOM 580 CG2 THR A 41 31.197 19.738 3.561 1.00 0.00 C ATOM 0 H THR A 41 29.930 18.630 0.529 1.00 0.00 H new ATOM 0 HA THR A 41 30.621 17.196 3.014 1.00 0.00 H new ATOM 0 HB THR A 41 29.276 19.018 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.037 20.987 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.091 20.686 4.088 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.726 19.027 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.763 19.895 2.643 1.00 0.00 H new ATOM 588 N SER A 42 28.285 16.496 1.317 1.00 0.00 N ATOM 589 CA SER A 42 27.003 15.824 1.138 1.00 0.00 C ATOM 590 C SER A 42 27.173 14.536 0.337 1.00 0.00 C ATOM 591 O SER A 42 28.287 14.166 -0.035 1.00 0.00 O ATOM 592 CB SER A 42 26.012 16.750 0.431 1.00 0.00 C ATOM 593 OG SER A 42 26.264 18.107 0.752 1.00 0.00 O ATOM 0 H SER A 42 28.933 16.383 0.538 1.00 0.00 H new ATOM 0 HA SER A 42 26.612 15.571 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.083 16.609 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.994 16.488 0.720 1.00 0.00 H new ATOM 0 HG SER A 42 25.618 18.679 0.287 1.00 0.00 H new ATOM 599 N ILE A 43 26.060 13.859 0.076 1.00 0.00 N ATOM 600 CA ILE A 43 26.085 12.613 -0.682 1.00 0.00 C ATOM 601 C ILE A 43 24.711 12.294 -1.259 1.00 0.00 C ATOM 602 O ILE A 43 23.797 11.898 -0.535 1.00 0.00 O ATOM 603 CB ILE A 43 26.550 11.433 0.192 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.938 11.713 0.770 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.557 10.145 -0.619 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.542 10.529 1.492 1.00 0.00 C ATOM 0 H ILE A 43 25.130 14.151 0.378 1.00 0.00 H new ATOM 0 HA ILE A 43 26.795 12.752 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 43 25.851 11.315 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.605 12.015 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.872 12.554 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.888 9.320 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.551 9.941 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.237 10.251 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.526 10.800 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.896 10.240 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.640 9.692 0.800 1.00 0.00 H new ATOM 618 N VAL A 44 24.571 12.467 -2.570 1.00 0.00 N ATOM 619 CA VAL A 44 23.308 12.194 -3.247 1.00 0.00 C ATOM 620 C VAL A 44 23.127 10.700 -3.490 1.00 0.00 C ATOM 621 O VAL A 44 23.653 10.149 -4.457 1.00 0.00 O ATOM 622 CB VAL A 44 23.222 12.937 -4.593 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.888 12.659 -5.271 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.426 14.431 -4.391 1.00 0.00 C ATOM 0 H VAL A 44 25.316 12.795 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 44 22.513 12.551 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 44 24.017 12.570 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.845 13.192 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.787 11.589 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.076 12.997 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.362 14.940 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.655 14.817 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.408 14.608 -3.951 1.00 0.00 H new ATOM 634 N VAL A 45 22.378 10.049 -2.606 1.00 0.00 N ATOM 635 CA VAL A 45 22.125 8.618 -2.725 1.00 0.00 C ATOM 636 C VAL A 45 20.930 8.345 -3.632 1.00 0.00 C ATOM 637 O VAL A 45 19.779 8.513 -3.227 1.00 0.00 O ATOM 638 CB VAL A 45 21.868 7.977 -1.348 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.631 6.481 -1.492 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.031 8.253 -0.407 1.00 0.00 C ATOM 0 H VAL A 45 21.936 10.490 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 45 23.019 8.174 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 45 20.970 8.423 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.451 6.045 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.763 6.310 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.508 6.015 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.833 7.793 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.946 7.835 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.149 9.329 -0.280 1.00 0.00 H new ATOM 650 N SER A 46 21.210 7.922 -4.860 1.00 0.00 N ATOM 651 CA SER A 46 20.158 7.629 -5.826 1.00 0.00 C ATOM 652 C SER A 46 20.040 6.126 -6.061 1.00 0.00 C ATOM 653 O SER A 46 21.005 5.470 -6.451 1.00 0.00 O ATOM 654 CB SER A 46 20.438 8.342 -7.150 1.00 0.00 C ATOM 655 OG SER A 46 21.099 9.577 -6.934 1.00 0.00 O ATOM 0 H SER A 46 22.157 7.774 -5.210 1.00 0.00 H new ATOM 0 HA SER A 46 19.214 7.992 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 46 21.051 7.705 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 46 19.501 8.515 -7.679 1.00 0.00 H new ATOM 0 HG SER A 46 21.268 10.012 -7.795 1.00 0.00 H new ATOM 661 N TRP A 47 18.850 5.588 -5.819 1.00 0.00 N ATOM 662 CA TRP A 47 18.604 4.162 -6.004 1.00 0.00 C ATOM 663 C TRP A 47 17.461 3.929 -6.986 1.00 0.00 C ATOM 664 O TRP A 47 16.928 4.873 -7.569 1.00 0.00 O ATOM 665 CB TRP A 47 18.283 3.501 -4.662 1.00 0.00 C ATOM 666 CG TRP A 47 17.012 4.001 -4.043 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.768 3.452 -4.167 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.863 5.152 -3.205 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.854 4.192 -3.457 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.501 5.240 -2.856 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.747 6.116 -2.712 1.00 0.00 C ATOM 672 CZ2 TRP A 47 15.005 6.253 -2.041 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.253 7.121 -1.903 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.893 7.183 -1.573 1.00 0.00 C ATOM 0 H TRP A 47 18.041 6.117 -5.494 1.00 0.00 H new ATOM 0 HA TRP A 47 19.508 3.713 -6.415 1.00 0.00 H new ATOM 0 HB2 TRP A 47 18.210 2.423 -4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.108 3.676 -3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.537 2.566 -4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.856 3.994 -3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.798 6.076 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.957 6.303 -1.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.927 7.872 -1.518 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.538 7.980 -0.937 1.00 0.00 H new ATOM 685 N THR A 48 17.089 2.665 -7.165 1.00 0.00 N ATOM 686 CA THR A 48 16.010 2.309 -8.078 1.00 0.00 C ATOM 687 C THR A 48 15.152 1.188 -7.503 1.00 0.00 C ATOM 688 O THR A 48 15.601 0.390 -6.680 1.00 0.00 O ATOM 689 CB THR A 48 16.557 1.870 -9.450 1.00 0.00 C ATOM 690 OG1 THR A 48 17.808 1.194 -9.285 1.00 0.00 O ATOM 691 CG2 THR A 48 16.740 3.069 -10.368 1.00 0.00 C ATOM 0 H THR A 48 17.519 1.871 -6.690 1.00 0.00 H new ATOM 0 HA THR A 48 15.398 3.201 -8.208 1.00 0.00 H new ATOM 0 HB THR A 48 15.835 1.191 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.148 0.917 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.127 2.735 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.780 3.564 -10.515 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.444 3.768 -9.917 1.00 0.00 H new ATOM 699 N PRO A 49 13.888 1.123 -7.947 1.00 0.00 N ATOM 700 CA PRO A 49 12.940 0.101 -7.490 1.00 0.00 C ATOM 701 C PRO A 49 13.296 -1.290 -8.003 1.00 0.00 C ATOM 702 O PRO A 49 13.977 -1.449 -9.016 1.00 0.00 O ATOM 703 CB PRO A 49 11.607 0.565 -8.081 1.00 0.00 C ATOM 704 CG PRO A 49 11.982 1.376 -9.273 1.00 0.00 C ATOM 705 CD PRO A 49 13.286 2.041 -8.928 1.00 0.00 C ATOM 0 HA PRO A 49 12.931 0.009 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.981 -0.283 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.040 1.157 -7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.087 0.746 -10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.214 2.116 -9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.920 2.162 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.131 3.034 -8.507 1.00 0.00 H new ATOM 713 N PRO A 50 12.823 -2.323 -7.291 1.00 0.00 N ATOM 714 CA PRO A 50 13.078 -3.719 -7.657 1.00 0.00 C ATOM 715 C PRO A 50 12.338 -4.130 -8.925 1.00 0.00 C ATOM 716 O PRO A 50 11.115 -4.021 -9.004 1.00 0.00 O ATOM 717 CB PRO A 50 12.550 -4.504 -6.453 1.00 0.00 C ATOM 718 CG PRO A 50 11.524 -3.614 -5.841 1.00 0.00 C ATOM 719 CD PRO A 50 12.004 -2.208 -6.072 1.00 0.00 C ATOM 0 HA PRO A 50 14.132 -3.898 -7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.116 -5.456 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.349 -4.731 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.547 -3.773 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.415 -3.819 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.172 -1.517 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.588 -1.839 -5.229 1.00 0.00 H new ATOM 727 N GLU A 51 13.089 -4.603 -9.915 1.00 0.00 N ATOM 728 CA GLU A 51 12.503 -5.030 -11.181 1.00 0.00 C ATOM 729 C GLU A 51 11.154 -5.708 -10.954 1.00 0.00 C ATOM 730 O GLU A 51 10.267 -5.648 -11.805 1.00 0.00 O ATOM 731 CB GLU A 51 13.450 -5.984 -11.911 1.00 0.00 C ATOM 732 CG GLU A 51 14.419 -5.282 -12.847 1.00 0.00 C ATOM 733 CD GLU A 51 15.517 -6.200 -13.346 1.00 0.00 C ATOM 734 OE1 GLU A 51 16.006 -7.029 -12.549 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.888 -6.090 -14.533 1.00 0.00 O ATOM 0 H GLU A 51 14.103 -4.700 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 51 12.346 -4.145 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.017 -6.553 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.860 -6.701 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.870 -4.882 -13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.867 -4.433 -12.330 1.00 0.00 H new ATOM 742 N ASN A 52 11.009 -6.353 -9.801 1.00 0.00 N ATOM 743 CA ASN A 52 9.770 -7.044 -9.463 1.00 0.00 C ATOM 744 C ASN A 52 8.791 -6.098 -8.775 1.00 0.00 C ATOM 745 O ASN A 52 8.917 -5.819 -7.583 1.00 0.00 O ATOM 746 CB ASN A 52 10.061 -8.242 -8.557 1.00 0.00 C ATOM 747 CG ASN A 52 8.898 -9.213 -8.492 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.785 -8.842 -8.121 1.00 0.00 O ATOM 749 ND2 ASN A 52 9.152 -10.466 -8.853 1.00 0.00 N ATOM 0 H ASN A 52 11.734 -6.412 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 52 9.316 -7.399 -10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.946 -8.763 -8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.291 -7.887 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.409 -11.164 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.090 -10.730 -9.154 1.00 0.00 H new ATOM 756 N GLN A 53 7.815 -5.610 -9.534 1.00 0.00 N ATOM 757 CA GLN A 53 6.814 -4.696 -8.997 1.00 0.00 C ATOM 758 C GLN A 53 5.729 -5.458 -8.245 1.00 0.00 C ATOM 759 O GLN A 53 5.186 -4.970 -7.255 1.00 0.00 O ATOM 760 CB GLN A 53 6.189 -3.872 -10.123 1.00 0.00 C ATOM 761 CG GLN A 53 4.783 -3.385 -9.812 1.00 0.00 C ATOM 762 CD GLN A 53 4.770 -2.221 -8.841 1.00 0.00 C ATOM 763 OE1 GLN A 53 4.233 -1.153 -9.141 1.00 0.00 O ATOM 764 NE2 GLN A 53 5.362 -2.420 -7.670 1.00 0.00 N ATOM 0 H GLN A 53 7.696 -5.832 -10.522 1.00 0.00 H new ATOM 0 HA GLN A 53 7.311 -4.024 -8.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.826 -3.011 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.164 -4.474 -11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.293 -3.086 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.202 -4.207 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.794 -3.321 -7.464 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.385 -1.672 -6.976 1.00 0.00 H new ATOM 773 N ASN A 54 5.416 -6.658 -8.723 1.00 0.00 N ATOM 774 CA ASN A 54 4.394 -7.488 -8.096 1.00 0.00 C ATOM 775 C ASN A 54 4.465 -7.383 -6.576 1.00 0.00 C ATOM 776 O ASN A 54 3.441 -7.412 -5.893 1.00 0.00 O ATOM 777 CB ASN A 54 4.557 -8.947 -8.526 1.00 0.00 C ATOM 778 CG ASN A 54 4.469 -9.120 -10.030 1.00 0.00 C ATOM 779 OD1 ASN A 54 5.469 -9.009 -10.739 1.00 0.00 O ATOM 780 ND2 ASN A 54 3.267 -9.393 -10.524 1.00 0.00 N ATOM 0 H ASN A 54 5.855 -7.077 -9.542 1.00 0.00 H new ATOM 0 HA ASN A 54 3.418 -7.127 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.519 -9.321 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.787 -9.552 -8.048 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.145 -9.520 -11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.465 -9.476 -9.899 1.00 0.00 H new ATOM 787 N ILE A 55 5.681 -7.262 -6.053 1.00 0.00 N ATOM 788 CA ILE A 55 5.885 -7.151 -4.614 1.00 0.00 C ATOM 789 C ILE A 55 5.525 -5.757 -4.113 1.00 0.00 C ATOM 790 O ILE A 55 5.717 -4.764 -4.816 1.00 0.00 O ATOM 791 CB ILE A 55 7.343 -7.463 -4.227 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.801 -8.766 -4.885 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.482 -7.550 -2.714 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.289 -9.011 -4.767 1.00 0.00 C ATOM 0 H ILE A 55 6.539 -7.238 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 55 5.228 -7.883 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 55 7.980 -6.654 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.266 -9.600 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.526 -8.747 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.518 -7.771 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.191 -6.599 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.837 -8.342 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.543 -9.952 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.831 -8.196 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.567 -9.062 -3.714 1.00 0.00 H new ATOM 806 N VAL A 56 5.002 -5.689 -2.893 1.00 0.00 N ATOM 807 CA VAL A 56 4.618 -4.416 -2.295 1.00 0.00 C ATOM 808 C VAL A 56 5.757 -3.829 -1.469 1.00 0.00 C ATOM 809 O VAL A 56 6.477 -4.554 -0.782 1.00 0.00 O ATOM 810 CB VAL A 56 3.374 -4.569 -1.399 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.988 -3.230 -0.789 1.00 0.00 C ATOM 812 CG2 VAL A 56 2.217 -5.158 -2.191 1.00 0.00 C ATOM 0 H VAL A 56 4.834 -6.501 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 56 4.384 -3.739 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 56 3.614 -5.255 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.107 -3.357 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.814 -2.853 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.766 -2.518 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.347 -5.259 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.974 -4.499 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.500 -6.138 -2.574 1.00 0.00 H new ATOM 822 N VAL A 57 5.916 -2.512 -1.541 1.00 0.00 N ATOM 823 CA VAL A 57 6.967 -1.826 -0.799 1.00 0.00 C ATOM 824 C VAL A 57 6.447 -0.537 -0.174 1.00 0.00 C ATOM 825 O VAL A 57 5.791 0.266 -0.837 1.00 0.00 O ATOM 826 CB VAL A 57 8.170 -1.497 -1.703 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.394 -1.167 -0.864 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.457 -2.654 -2.648 1.00 0.00 C ATOM 0 H VAL A 57 5.330 -1.898 -2.106 1.00 0.00 H new ATOM 0 HA VAL A 57 7.291 -2.504 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 57 7.924 -0.620 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.234 -0.937 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.180 -0.305 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.647 -2.022 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.310 -2.405 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.683 -3.549 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.584 -2.838 -3.274 1.00 0.00 H new ATOM 838 N ARG A 58 6.746 -0.344 1.107 1.00 0.00 N ATOM 839 CA ARG A 58 6.308 0.848 1.823 1.00 0.00 C ATOM 840 C ARG A 58 7.481 1.790 2.079 1.00 0.00 C ATOM 841 O ARG A 58 7.436 2.622 2.984 1.00 0.00 O ATOM 842 CB ARG A 58 5.652 0.460 3.149 1.00 0.00 C ATOM 843 CG ARG A 58 4.278 -0.169 2.988 1.00 0.00 C ATOM 844 CD ARG A 58 3.223 0.874 2.655 1.00 0.00 C ATOM 845 NE ARG A 58 1.869 0.377 2.889 1.00 0.00 N ATOM 846 CZ ARG A 58 0.773 1.080 2.627 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.870 2.304 2.126 1.00 0.00 N ATOM 848 NH2 ARG A 58 -0.424 0.559 2.867 1.00 0.00 N ATOM 0 H ARG A 58 7.290 -0.998 1.670 1.00 0.00 H new ATOM 0 HA ARG A 58 5.577 1.366 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.302 -0.238 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.565 1.348 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.311 -0.920 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.003 -0.685 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.391 1.766 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.325 1.172 1.611 1.00 0.00 H new ATOM 0 HE ARG A 58 1.760 -0.561 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.788 2.708 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.027 2.841 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.503 -0.382 3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.265 1.100 2.666 1.00 0.00 H new ATOM 862 N GLY A 59 8.531 1.651 1.276 1.00 0.00 N ATOM 863 CA GLY A 59 9.701 2.495 1.432 1.00 0.00 C ATOM 864 C GLY A 59 10.981 1.693 1.568 1.00 0.00 C ATOM 865 O GLY A 59 10.955 0.462 1.547 1.00 0.00 O ATOM 0 H GLY A 59 8.592 0.969 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.782 3.160 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.576 3.125 2.312 1.00 0.00 H new ATOM 869 N TYR A 60 12.102 2.391 1.707 1.00 0.00 N ATOM 870 CA TYR A 60 13.398 1.736 1.842 1.00 0.00 C ATOM 871 C TYR A 60 14.163 2.285 3.043 1.00 0.00 C ATOM 872 O TYR A 60 13.843 3.355 3.561 1.00 0.00 O ATOM 873 CB TYR A 60 14.224 1.923 0.569 1.00 0.00 C ATOM 874 CG TYR A 60 13.407 1.833 -0.701 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.744 2.945 -1.205 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.300 0.635 -1.397 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.997 2.867 -2.364 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.556 0.548 -2.558 1.00 0.00 C ATOM 879 CZ TYR A 60 11.906 1.667 -3.037 1.00 0.00 C ATOM 880 OH TYR A 60 11.163 1.585 -4.192 1.00 0.00 O ATOM 0 H TYR A 60 12.140 3.410 1.729 1.00 0.00 H new ATOM 0 HA TYR A 60 13.223 0.672 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.718 2.894 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.009 1.167 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.814 3.887 -0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.807 -0.243 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.487 3.741 -2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.484 -0.390 -3.088 1.00 0.00 H new ATOM 0 HH TYR A 60 11.203 0.671 -4.542 1.00 0.00 H new ATOM 890 N ALA A 61 15.176 1.544 3.480 1.00 0.00 N ATOM 891 CA ALA A 61 15.989 1.956 4.617 1.00 0.00 C ATOM 892 C ALA A 61 17.427 2.234 4.192 1.00 0.00 C ATOM 893 O ALA A 61 18.168 1.315 3.840 1.00 0.00 O ATOM 894 CB ALA A 61 15.953 0.893 5.705 1.00 0.00 C ATOM 0 H ALA A 61 15.453 0.655 3.063 1.00 0.00 H new ATOM 0 HA ALA A 61 15.571 2.881 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.565 1.214 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.925 0.747 6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.343 -0.045 5.310 1.00 0.00 H new ATOM 900 N ILE A 62 17.815 3.504 4.227 1.00 0.00 N ATOM 901 CA ILE A 62 19.165 3.901 3.846 1.00 0.00 C ATOM 902 C ILE A 62 20.095 3.917 5.054 1.00 0.00 C ATOM 903 O ILE A 62 19.761 4.472 6.100 1.00 0.00 O ATOM 904 CB ILE A 62 19.177 5.291 3.184 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.303 5.290 1.928 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.601 5.704 2.844 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.778 6.658 1.555 1.00 0.00 C ATOM 0 H ILE A 62 17.214 4.276 4.515 1.00 0.00 H new ATOM 0 HA ILE A 62 19.520 3.162 3.127 1.00 0.00 H new ATOM 0 HB ILE A 62 18.768 6.015 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.881 4.892 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.460 4.616 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.593 6.689 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.197 5.740 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.035 4.979 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.167 6.580 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.173 7.051 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.615 7.330 1.368 1.00 0.00 H new ATOM 919 N GLY A 63 21.265 3.306 4.902 1.00 0.00 N ATOM 920 CA GLY A 63 22.227 3.263 5.987 1.00 0.00 C ATOM 921 C GLY A 63 23.616 3.685 5.549 1.00 0.00 C ATOM 922 O GLY A 63 24.209 3.067 4.665 1.00 0.00 O ATOM 0 H GLY A 63 21.564 2.839 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.890 3.915 6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.269 2.252 6.391 1.00 0.00 H new ATOM 926 N TYR A 64 24.134 4.740 6.167 1.00 0.00 N ATOM 927 CA TYR A 64 25.460 5.247 5.833 1.00 0.00 C ATOM 928 C TYR A 64 26.376 5.222 7.052 1.00 0.00 C ATOM 929 O TYR A 64 25.912 5.185 8.191 1.00 0.00 O ATOM 930 CB TYR A 64 25.361 6.671 5.284 1.00 0.00 C ATOM 931 CG TYR A 64 24.566 7.607 6.167 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.185 7.496 6.263 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.197 8.601 6.904 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.454 8.349 7.068 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.475 9.457 7.712 1.00 0.00 C ATOM 936 CZ TYR A 64 23.104 9.328 7.791 1.00 0.00 C ATOM 937 OH TYR A 64 22.381 10.179 8.594 1.00 0.00 O ATOM 0 H TYR A 64 23.656 5.261 6.902 1.00 0.00 H new ATOM 0 HA TYR A 64 25.887 4.599 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.366 7.072 5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.902 6.639 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.674 6.730 5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.270 8.706 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.380 8.250 7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.981 10.224 8.279 1.00 0.00 H new ATOM 0 HH TYR A 64 22.989 10.809 9.035 1.00 0.00 H new ATOM 947 N GLY A 65 27.682 5.244 6.804 1.00 0.00 N ATOM 948 CA GLY A 65 28.644 5.224 7.890 1.00 0.00 C ATOM 949 C GLY A 65 30.018 4.770 7.439 1.00 0.00 C ATOM 950 O GLY A 65 30.155 3.730 6.793 1.00 0.00 O ATOM 0 H GLY A 65 28.091 5.275 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.718 6.221 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.285 4.560 8.677 1.00 0.00 H new ATOM 954 N ILE A 66 31.039 5.550 7.779 1.00 0.00 N ATOM 955 CA ILE A 66 32.409 5.222 7.404 1.00 0.00 C ATOM 956 C ILE A 66 32.764 3.796 7.813 1.00 0.00 C ATOM 957 O ILE A 66 32.887 3.492 8.999 1.00 0.00 O ATOM 958 CB ILE A 66 33.416 6.194 8.046 1.00 0.00 C ATOM 959 CG1 ILE A 66 33.098 7.634 7.638 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.837 5.825 7.645 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.495 8.658 8.678 1.00 0.00 C ATOM 0 H ILE A 66 30.943 6.413 8.313 1.00 0.00 H new ATOM 0 HA ILE A 66 32.470 5.312 6.319 1.00 0.00 H new ATOM 0 HB ILE A 66 33.334 6.117 9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.611 7.860 6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 66 32.029 7.721 7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.538 6.521 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 66 35.058 4.812 7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.934 5.878 6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.240 9.656 8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 66 32.962 8.458 9.608 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.569 8.599 8.855 1.00 0.00 H new ATOM 973 N GLY A 67 32.930 2.926 6.822 1.00 0.00 N ATOM 974 CA GLY A 67 33.272 1.543 7.099 1.00 0.00 C ATOM 975 C GLY A 67 32.059 0.706 7.454 1.00 0.00 C ATOM 976 O GLY A 67 31.815 -0.336 6.844 1.00 0.00 O ATOM 0 H GLY A 67 32.834 3.154 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.764 1.112 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.988 1.506 7.920 1.00 0.00 H new ATOM 980 N SER A 68 31.297 1.160 8.444 1.00 0.00 N ATOM 981 CA SER A 68 30.106 0.443 8.883 1.00 0.00 C ATOM 982 C SER A 68 28.870 1.331 8.784 1.00 0.00 C ATOM 983 O SER A 68 28.790 2.398 9.394 1.00 0.00 O ATOM 984 CB SER A 68 30.282 -0.048 10.322 1.00 0.00 C ATOM 985 OG SER A 68 31.035 -1.247 10.363 1.00 0.00 O ATOM 0 H SER A 68 31.484 2.021 8.957 1.00 0.00 H new ATOM 0 HA SER A 68 29.967 -0.417 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.782 0.719 10.913 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.305 -0.213 10.775 1.00 0.00 H new ATOM 0 HG SER A 68 31.135 -1.539 11.293 1.00 0.00 H new ATOM 991 N PRO A 69 27.881 0.882 7.997 1.00 0.00 N ATOM 992 CA PRO A 69 26.630 1.620 7.799 1.00 0.00 C ATOM 993 C PRO A 69 25.760 1.632 9.051 1.00 0.00 C ATOM 994 O PRO A 69 24.700 2.260 9.077 1.00 0.00 O ATOM 995 CB PRO A 69 25.937 0.847 6.674 1.00 0.00 C ATOM 996 CG PRO A 69 26.489 -0.533 6.766 1.00 0.00 C ATOM 997 CD PRO A 69 27.908 -0.381 7.240 1.00 0.00 C ATOM 0 HA PRO A 69 26.808 2.670 7.567 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.854 0.849 6.801 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.145 1.292 5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.908 -1.140 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.452 -1.033 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.214 -1.219 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.608 -0.335 6.406 1.00 0.00 H new ATOM 1005 N HIS A 70 26.213 0.935 10.088 1.00 0.00 N ATOM 1006 CA HIS A 70 25.476 0.867 11.345 1.00 0.00 C ATOM 1007 C HIS A 70 25.664 2.146 12.155 1.00 0.00 C ATOM 1008 O HIS A 70 25.947 2.098 13.352 1.00 0.00 O ATOM 1009 CB HIS A 70 25.932 -0.341 12.164 1.00 0.00 C ATOM 1010 CG HIS A 70 25.593 -1.655 11.531 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.511 -2.419 11.917 1.00 0.00 N ATOM 1012 CD2 HIS A 70 26.199 -2.340 10.533 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.468 -3.518 11.185 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.480 -3.494 10.337 1.00 0.00 N ATOM 0 H HIS A 70 27.087 0.409 10.083 1.00 0.00 H new ATOM 0 HA HIS A 70 24.417 0.758 11.111 1.00 0.00 H new ATOM 0 HB2 HIS A 70 27.011 -0.285 12.310 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.474 -0.294 13.152 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.083 -2.036 9.992 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.730 -4.303 11.266 1.00 0.00 H new ATOM 0 HE2 HIS A 70 25.693 -4.215 9.648 1.00 0.00 H new ATOM 1023 N ALA A 71 25.506 3.289 11.494 1.00 0.00 N ATOM 1024 CA ALA A 71 25.658 4.580 12.153 1.00 0.00 C ATOM 1025 C ALA A 71 24.337 5.341 12.179 1.00 0.00 C ATOM 1026 O ALA A 71 23.869 5.755 13.240 1.00 0.00 O ATOM 1027 CB ALA A 71 26.731 5.404 11.459 1.00 0.00 C ATOM 0 H ALA A 71 25.273 3.346 10.503 1.00 0.00 H new ATOM 0 HA ALA A 71 25.964 4.401 13.184 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.834 6.366 11.962 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.681 4.871 11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.449 5.567 10.419 1.00 0.00 H new ATOM 1033 N GLN A 72 23.741 5.523 11.005 1.00 0.00 N ATOM 1034 CA GLN A 72 22.474 6.236 10.894 1.00 0.00 C ATOM 1035 C GLN A 72 21.553 5.557 9.886 1.00 0.00 C ATOM 1036 O GLN A 72 22.013 4.877 8.969 1.00 0.00 O ATOM 1037 CB GLN A 72 22.717 7.689 10.483 1.00 0.00 C ATOM 1038 CG GLN A 72 23.319 8.542 11.588 1.00 0.00 C ATOM 1039 CD GLN A 72 24.817 8.353 11.720 1.00 0.00 C ATOM 1040 OE1 GLN A 72 25.314 7.961 12.777 1.00 0.00 O ATOM 1041 NE2 GLN A 72 25.547 8.630 10.646 1.00 0.00 N ATOM 0 H GLN A 72 24.115 5.187 10.118 1.00 0.00 H new ATOM 0 HA GLN A 72 21.989 6.218 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.381 7.707 9.619 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.772 8.132 10.168 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.105 9.592 11.389 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.840 8.294 12.535 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.094 8.952 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.561 8.521 10.676 1.00 0.00 H new ATOM 1050 N THR A 73 20.249 5.746 10.063 1.00 0.00 N ATOM 1051 CA THR A 73 19.263 5.150 9.170 1.00 0.00 C ATOM 1052 C THR A 73 18.176 6.154 8.803 1.00 0.00 C ATOM 1053 O THR A 73 17.576 6.781 9.676 1.00 0.00 O ATOM 1054 CB THR A 73 18.606 3.910 9.805 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.609 3.061 10.373 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.803 3.134 8.773 1.00 0.00 C ATOM 0 H THR A 73 19.851 6.307 10.816 1.00 0.00 H new ATOM 0 HA THR A 73 19.796 4.848 8.268 1.00 0.00 H new ATOM 0 HB THR A 73 17.929 4.247 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.183 2.276 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.349 2.263 9.245 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.021 3.774 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.463 2.808 7.969 1.00 0.00 H new ATOM 1064 N ILE A 74 17.928 6.302 7.506 1.00 0.00 N ATOM 1065 CA ILE A 74 16.912 7.230 7.024 1.00 0.00 C ATOM 1066 C ILE A 74 15.812 6.494 6.266 1.00 0.00 C ATOM 1067 O ILE A 74 16.051 5.921 5.203 1.00 0.00 O ATOM 1068 CB ILE A 74 17.522 8.305 6.106 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.558 9.132 6.870 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.429 9.204 5.544 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.421 9.995 5.976 1.00 0.00 C ATOM 0 H ILE A 74 18.416 5.792 6.770 1.00 0.00 H new ATOM 0 HA ILE A 74 16.484 7.714 7.902 1.00 0.00 H new ATOM 0 HB ILE A 74 18.022 7.809 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.044 9.769 7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.199 8.460 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.876 9.959 4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.724 8.604 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.903 9.694 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.132 10.553 6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.963 9.362 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.790 10.692 5.424 1.00 0.00 H new ATOM 1083 N LYS A 75 14.604 6.516 6.819 1.00 0.00 N ATOM 1084 CA LYS A 75 13.464 5.855 6.195 1.00 0.00 C ATOM 1085 C LYS A 75 12.607 6.856 5.427 1.00 0.00 C ATOM 1086 O LYS A 75 12.073 7.802 6.005 1.00 0.00 O ATOM 1087 CB LYS A 75 12.616 5.148 7.255 1.00 0.00 C ATOM 1088 CG LYS A 75 13.338 4.008 7.952 1.00 0.00 C ATOM 1089 CD LYS A 75 13.253 2.721 7.149 1.00 0.00 C ATOM 1090 CE LYS A 75 13.451 1.499 8.033 1.00 0.00 C ATOM 1091 NZ LYS A 75 14.645 1.637 8.911 1.00 0.00 N ATOM 0 H LYS A 75 14.389 6.985 7.699 1.00 0.00 H new ATOM 0 HA LYS A 75 13.845 5.116 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.301 5.877 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.712 4.761 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.384 4.276 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.904 3.851 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.283 2.662 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.009 2.730 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.564 1.348 8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.560 0.613 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.145 0.727 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.282 2.360 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.343 1.920 9.865 1.00 0.00 H new ATOM 1105 N VAL A 76 12.480 6.641 4.122 1.00 0.00 N ATOM 1106 CA VAL A 76 11.686 7.523 3.275 1.00 0.00 C ATOM 1107 C VAL A 76 10.698 6.729 2.428 1.00 0.00 C ATOM 1108 O VAL A 76 10.971 5.594 2.037 1.00 0.00 O ATOM 1109 CB VAL A 76 12.581 8.365 2.346 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.492 9.271 3.160 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.393 7.463 1.429 1.00 0.00 C ATOM 0 H VAL A 76 12.917 5.863 3.628 1.00 0.00 H new ATOM 0 HA VAL A 76 11.137 8.189 3.940 1.00 0.00 H new ATOM 0 HB VAL A 76 11.942 8.994 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.117 9.858 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.887 9.941 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.126 8.664 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.020 8.074 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.024 6.807 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.718 6.861 0.820 1.00 0.00 H new ATOM 1121 N ASP A 77 9.548 7.333 2.148 1.00 0.00 N ATOM 1122 CA ASP A 77 8.518 6.683 1.346 1.00 0.00 C ATOM 1123 C ASP A 77 9.117 6.080 0.079 1.00 0.00 C ATOM 1124 O ASP A 77 10.117 6.574 -0.443 1.00 0.00 O ATOM 1125 CB ASP A 77 7.420 7.683 0.981 1.00 0.00 C ATOM 1126 CG ASP A 77 7.949 8.857 0.180 1.00 0.00 C ATOM 1127 OD1 ASP A 77 8.866 8.650 -0.642 1.00 0.00 O ATOM 1128 OD2 ASP A 77 7.444 9.982 0.375 1.00 0.00 O ATOM 0 H ASP A 77 9.306 8.272 2.465 1.00 0.00 H new ATOM 0 HA ASP A 77 8.083 5.879 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.646 7.174 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.950 8.051 1.893 1.00 0.00 H new ATOM 1133 N TYR A 78 8.499 5.011 -0.410 1.00 0.00 N ATOM 1134 CA TYR A 78 8.972 4.339 -1.614 1.00 0.00 C ATOM 1135 C TYR A 78 9.129 5.328 -2.765 1.00 0.00 C ATOM 1136 O TYR A 78 10.125 5.305 -3.488 1.00 0.00 O ATOM 1137 CB TYR A 78 8.006 3.223 -2.014 1.00 0.00 C ATOM 1138 CG TYR A 78 6.567 3.677 -2.119 1.00 0.00 C ATOM 1139 CD1 TYR A 78 6.091 4.279 -3.277 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.684 3.504 -1.060 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.778 4.696 -3.377 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.369 3.916 -1.152 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.921 4.512 -2.312 1.00 0.00 C ATOM 1144 OH TYR A 78 2.612 4.926 -2.407 1.00 0.00 O ATOM 0 H TYR A 78 7.669 4.591 0.009 1.00 0.00 H new ATOM 0 HA TYR A 78 9.948 3.905 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.319 2.809 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.072 2.417 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.759 4.423 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.032 3.039 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.424 5.164 -4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.695 3.772 -0.320 1.00 0.00 H new ATOM 0 HH TYR A 78 2.143 4.722 -1.571 1.00 0.00 H new ATOM 1154 N LYS A 79 8.137 6.197 -2.928 1.00 0.00 N ATOM 1155 CA LYS A 79 8.163 7.197 -3.989 1.00 0.00 C ATOM 1156 C LYS A 79 9.557 7.798 -4.137 1.00 0.00 C ATOM 1157 O LYS A 79 10.081 7.906 -5.245 1.00 0.00 O ATOM 1158 CB LYS A 79 7.147 8.304 -3.698 1.00 0.00 C ATOM 1159 CG LYS A 79 5.710 7.815 -3.655 1.00 0.00 C ATOM 1160 CD LYS A 79 4.729 8.973 -3.573 1.00 0.00 C ATOM 1161 CE LYS A 79 4.325 9.460 -4.956 1.00 0.00 C ATOM 1162 NZ LYS A 79 3.616 10.768 -4.899 1.00 0.00 N ATOM 0 H LYS A 79 7.305 6.229 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 79 7.898 6.705 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.392 8.769 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.236 9.077 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.500 7.221 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.573 7.160 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.842 8.661 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.179 9.794 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.213 9.555 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.681 8.718 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.358 11.065 -5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.755 10.671 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.239 11.482 -4.472 1.00 0.00 H new ATOM 1176 N GLN A 80 10.152 8.185 -3.013 1.00 0.00 N ATOM 1177 CA GLN A 80 11.486 8.774 -3.020 1.00 0.00 C ATOM 1178 C GLN A 80 12.448 7.932 -3.851 1.00 0.00 C ATOM 1179 O GLN A 80 12.656 6.751 -3.572 1.00 0.00 O ATOM 1180 CB GLN A 80 12.013 8.910 -1.590 1.00 0.00 C ATOM 1181 CG GLN A 80 11.577 10.192 -0.900 1.00 0.00 C ATOM 1182 CD GLN A 80 11.754 11.416 -1.778 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.812 12.046 -1.780 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.715 11.759 -2.531 1.00 0.00 N ATOM 0 H GLN A 80 9.732 8.101 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 80 11.417 9.764 -3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.671 8.057 -1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.102 8.869 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.530 10.106 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.152 10.321 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.857 11.208 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.775 12.573 -3.142 1.00 0.00 H new ATOM 1193 N ARG A 81 13.032 8.548 -4.874 1.00 0.00 N ATOM 1194 CA ARG A 81 13.972 7.855 -5.748 1.00 0.00 C ATOM 1195 C ARG A 81 15.400 7.996 -5.231 1.00 0.00 C ATOM 1196 O ARG A 81 16.203 7.068 -5.332 1.00 0.00 O ATOM 1197 CB ARG A 81 13.876 8.403 -7.172 1.00 0.00 C ATOM 1198 CG ARG A 81 14.287 7.402 -8.239 1.00 0.00 C ATOM 1199 CD ARG A 81 14.908 8.094 -9.443 1.00 0.00 C ATOM 1200 NE ARG A 81 14.808 7.282 -10.653 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.200 7.699 -11.852 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.716 8.911 -12.000 1.00 0.00 N ATOM 1203 NH2 ARG A 81 15.076 6.902 -12.906 1.00 0.00 N ATOM 0 H ARG A 81 12.871 9.525 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 81 13.710 6.797 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.851 8.722 -7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.506 9.289 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.999 6.692 -7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.416 6.829 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.412 9.051 -9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.956 8.309 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 81 14.416 6.344 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.813 9.526 -11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.016 9.228 -12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.680 5.969 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.377 7.223 -13.826 1.00 0.00 H new ATOM 1217 N TYR A 82 15.711 9.164 -4.679 1.00 0.00 N ATOM 1218 CA TYR A 82 17.043 9.429 -4.149 1.00 0.00 C ATOM 1219 C TYR A 82 16.971 10.321 -2.914 1.00 0.00 C ATOM 1220 O TYR A 82 15.932 10.913 -2.622 1.00 0.00 O ATOM 1221 CB TYR A 82 17.918 10.087 -5.218 1.00 0.00 C ATOM 1222 CG TYR A 82 17.408 11.437 -5.670 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.484 11.541 -6.703 1.00 0.00 C ATOM 1224 CD2 TYR A 82 17.849 12.607 -5.065 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.016 12.772 -7.120 1.00 0.00 C ATOM 1226 CE2 TYR A 82 17.385 13.842 -5.475 1.00 0.00 C ATOM 1227 CZ TYR A 82 16.469 13.920 -6.503 1.00 0.00 C ATOM 1228 OH TYR A 82 16.004 15.147 -6.915 1.00 0.00 O ATOM 0 H TYR A 82 15.058 9.942 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 82 17.488 8.477 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.929 10.202 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.983 9.425 -6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.126 10.645 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 82 18.567 12.550 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.299 12.836 -7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 82 17.738 14.742 -4.993 1.00 0.00 H new ATOM 0 HH TYR A 82 16.421 15.852 -6.377 1.00 0.00 H new ATOM 1238 N TYR A 83 18.083 10.412 -2.193 1.00 0.00 N ATOM 1239 CA TYR A 83 18.148 11.230 -0.988 1.00 0.00 C ATOM 1240 C TYR A 83 19.486 11.957 -0.893 1.00 0.00 C ATOM 1241 O TYR A 83 20.525 11.423 -1.282 1.00 0.00 O ATOM 1242 CB TYR A 83 17.936 10.363 0.255 1.00 0.00 C ATOM 1243 CG TYR A 83 17.760 11.160 1.527 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.860 11.641 2.227 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.494 11.434 2.029 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.704 12.370 3.390 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.328 12.162 3.191 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.436 12.628 3.868 1.00 0.00 C ATOM 1249 OH TYR A 83 17.276 13.354 5.026 1.00 0.00 O ATOM 0 H TYR A 83 18.952 9.929 -2.422 1.00 0.00 H new ATOM 0 HA TYR A 83 17.354 11.975 -1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.057 9.736 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.789 9.694 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.854 11.441 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.624 11.071 1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.570 12.736 3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.336 12.365 3.567 1.00 0.00 H new ATOM 0 HH TYR A 83 16.321 13.447 5.224 1.00 0.00 H new ATOM 1259 N THR A 84 19.453 13.179 -0.372 1.00 0.00 N ATOM 1260 CA THR A 84 20.661 13.981 -0.225 1.00 0.00 C ATOM 1261 C THR A 84 21.095 14.059 1.234 1.00 0.00 C ATOM 1262 O THR A 84 20.470 14.747 2.041 1.00 0.00 O ATOM 1263 CB THR A 84 20.457 15.409 -0.766 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.050 15.359 -2.138 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.735 16.223 -0.640 1.00 0.00 C ATOM 0 H THR A 84 18.602 13.636 -0.044 1.00 0.00 H new ATOM 0 HA THR A 84 21.440 13.488 -0.807 1.00 0.00 H new ATOM 0 HB THR A 84 19.679 15.891 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.921 16.270 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.566 17.227 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.026 16.284 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.530 15.742 -1.210 1.00 0.00 H new ATOM 1273 N ILE A 85 22.170 13.351 1.565 1.00 0.00 N ATOM 1274 CA ILE A 85 22.688 13.343 2.927 1.00 0.00 C ATOM 1275 C ILE A 85 23.697 14.467 3.138 1.00 0.00 C ATOM 1276 O ILE A 85 24.792 14.444 2.578 1.00 0.00 O ATOM 1277 CB ILE A 85 23.356 11.998 3.268 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.419 10.838 2.926 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.745 11.957 4.738 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.110 9.493 2.893 1.00 0.00 C ATOM 0 H ILE A 85 22.698 12.776 0.909 1.00 0.00 H new ATOM 0 HA ILE A 85 21.836 13.494 3.589 1.00 0.00 H new ATOM 0 HB ILE A 85 24.262 11.897 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.612 10.805 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.961 11.026 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.216 11.000 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.445 12.765 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.854 12.077 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.385 8.718 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.899 9.507 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.545 9.283 3.870 1.00 0.00 H new ATOM 1292 N GLU A 86 23.320 15.449 3.952 1.00 0.00 N ATOM 1293 CA GLU A 86 24.193 16.581 4.237 1.00 0.00 C ATOM 1294 C GLU A 86 24.739 16.502 5.660 1.00 0.00 C ATOM 1295 O GLU A 86 24.348 15.634 6.439 1.00 0.00 O ATOM 1296 CB GLU A 86 23.439 17.898 4.041 1.00 0.00 C ATOM 1297 CG GLU A 86 22.867 18.069 2.644 1.00 0.00 C ATOM 1298 CD GLU A 86 21.812 19.156 2.574 1.00 0.00 C ATOM 1299 OE1 GLU A 86 22.127 20.311 2.931 1.00 0.00 O ATOM 1300 OE2 GLU A 86 20.673 18.853 2.163 1.00 0.00 O ATOM 0 H GLU A 86 22.417 15.483 4.425 1.00 0.00 H new ATOM 0 HA GLU A 86 25.031 16.544 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.627 17.954 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 86 24.113 18.728 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.675 18.307 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.433 17.125 2.315 1.00 0.00 H new ATOM 1307 N ASN A 87 25.646 17.416 5.992 1.00 0.00 N ATOM 1308 CA ASN A 87 26.246 17.449 7.320 1.00 0.00 C ATOM 1309 C ASN A 87 27.202 16.276 7.515 1.00 0.00 C ATOM 1310 O ASN A 87 27.197 15.624 8.561 1.00 0.00 O ATOM 1311 CB ASN A 87 25.158 17.420 8.396 1.00 0.00 C ATOM 1312 CG ASN A 87 24.015 18.367 8.087 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.212 19.576 7.962 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.811 17.821 7.964 1.00 0.00 N ATOM 0 H ASN A 87 25.981 18.143 5.360 1.00 0.00 H new ATOM 0 HA ASN A 87 26.813 18.375 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.771 16.406 8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.596 17.685 9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.003 18.409 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.694 16.814 8.076 1.00 0.00 H new ATOM 1321 N LEU A 88 28.020 16.011 6.502 1.00 0.00 N ATOM 1322 CA LEU A 88 28.982 14.916 6.562 1.00 0.00 C ATOM 1323 C LEU A 88 30.411 15.449 6.600 1.00 0.00 C ATOM 1324 O LEU A 88 30.640 16.651 6.468 1.00 0.00 O ATOM 1325 CB LEU A 88 28.803 13.989 5.359 1.00 0.00 C ATOM 1326 CG LEU A 88 27.457 13.270 5.259 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.221 12.772 3.842 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.394 12.116 6.249 1.00 0.00 C ATOM 0 H LEU A 88 28.036 16.539 5.630 1.00 0.00 H new ATOM 0 HA LEU A 88 28.799 14.353 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.948 14.574 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.592 13.238 5.384 1.00 0.00 H new ATOM 0 HG LEU A 88 26.669 13.980 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.258 12.263 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.221 13.618 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.014 12.078 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.429 11.616 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.191 11.406 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.516 12.499 7.262 1.00 0.00 H new ATOM 1340 N ASP A 89 31.368 14.545 6.780 1.00 0.00 N ATOM 1341 CA ASP A 89 32.776 14.923 6.832 1.00 0.00 C ATOM 1342 C ASP A 89 33.450 14.694 5.483 1.00 0.00 C ATOM 1343 O ASP A 89 33.485 13.579 4.960 1.00 0.00 O ATOM 1344 CB ASP A 89 33.499 14.128 7.920 1.00 0.00 C ATOM 1345 CG ASP A 89 34.850 14.721 8.269 1.00 0.00 C ATOM 1346 OD1 ASP A 89 34.880 15.816 8.868 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.877 14.091 7.942 1.00 0.00 O ATOM 0 H ASP A 89 31.195 13.546 6.892 1.00 0.00 H new ATOM 0 HA ASP A 89 32.834 15.985 7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.878 14.095 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.632 13.099 7.586 1.00 0.00 H new ATOM 1352 N PRO A 90 34.000 15.772 4.905 1.00 0.00 N ATOM 1353 CA PRO A 90 34.683 15.713 3.609 1.00 0.00 C ATOM 1354 C PRO A 90 36.006 14.959 3.685 1.00 0.00 C ATOM 1355 O PRO A 90 36.637 14.898 4.740 1.00 0.00 O ATOM 1356 CB PRO A 90 34.926 17.186 3.269 1.00 0.00 C ATOM 1357 CG PRO A 90 34.956 17.879 4.588 1.00 0.00 C ATOM 1358 CD PRO A 90 33.996 17.131 5.471 1.00 0.00 C ATOM 0 HA PRO A 90 34.095 15.180 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.864 17.318 2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.135 17.581 2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.961 17.872 5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.660 18.923 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.321 17.134 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.000 17.573 5.447 1.00 0.00 H new ATOM 1366 N SER A 91 36.421 14.386 2.560 1.00 0.00 N ATOM 1367 CA SER A 91 37.668 13.633 2.500 1.00 0.00 C ATOM 1368 C SER A 91 37.586 12.377 3.363 1.00 0.00 C ATOM 1369 O SER A 91 38.483 12.098 4.159 1.00 0.00 O ATOM 1370 CB SER A 91 38.838 14.505 2.959 1.00 0.00 C ATOM 1371 OG SER A 91 40.079 13.921 2.604 1.00 0.00 O ATOM 0 H SER A 91 35.912 14.429 1.677 1.00 0.00 H new ATOM 0 HA SER A 91 37.833 13.332 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.756 15.495 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.792 14.641 4.040 1.00 0.00 H new ATOM 0 HG SER A 91 40.150 13.031 3.009 1.00 0.00 H new ATOM 1377 N SER A 92 36.503 11.624 3.200 1.00 0.00 N ATOM 1378 CA SER A 92 36.300 10.400 3.966 1.00 0.00 C ATOM 1379 C SER A 92 35.347 9.456 3.240 1.00 0.00 C ATOM 1380 O SER A 92 34.349 9.886 2.662 1.00 0.00 O ATOM 1381 CB SER A 92 35.750 10.728 5.356 1.00 0.00 C ATOM 1382 OG SER A 92 36.791 11.106 6.240 1.00 0.00 O ATOM 0 H SER A 92 35.752 11.840 2.544 1.00 0.00 H new ATOM 0 HA SER A 92 37.265 9.904 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 92 35.021 11.535 5.281 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.225 9.861 5.757 1.00 0.00 H new ATOM 0 HG SER A 92 37.573 11.391 5.722 1.00 0.00 H new ATOM 1388 N HIS A 93 35.664 8.165 3.273 1.00 0.00 N ATOM 1389 CA HIS A 93 34.836 7.158 2.618 1.00 0.00 C ATOM 1390 C HIS A 93 33.645 6.781 3.494 1.00 0.00 C ATOM 1391 O HIS A 93 33.796 6.524 4.688 1.00 0.00 O ATOM 1392 CB HIS A 93 35.665 5.913 2.302 1.00 0.00 C ATOM 1393 CG HIS A 93 34.838 4.690 2.050 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.106 3.467 2.628 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.741 4.507 1.278 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.212 2.585 2.221 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.372 3.190 1.401 1.00 0.00 N ATOM 0 H HIS A 93 36.487 7.792 3.746 1.00 0.00 H new ATOM 0 HA HIS A 93 34.460 7.582 1.687 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.283 6.111 1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.343 5.718 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.248 5.257 0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.174 1.545 2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.578 2.751 0.935 1.00 0.00 H new ATOM 1406 N TYR A 94 32.461 6.752 2.892 1.00 0.00 N ATOM 1407 CA TYR A 94 31.243 6.411 3.617 1.00 0.00 C ATOM 1408 C TYR A 94 30.502 5.267 2.930 1.00 0.00 C ATOM 1409 O TYR A 94 30.148 5.359 1.754 1.00 0.00 O ATOM 1410 CB TYR A 94 30.329 7.633 3.726 1.00 0.00 C ATOM 1411 CG TYR A 94 30.775 8.631 4.770 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.847 9.483 4.532 1.00 0.00 C ATOM 1413 CD2 TYR A 94 30.124 8.723 5.994 1.00 0.00 C ATOM 1414 CE1 TYR A 94 32.258 10.396 5.484 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.528 9.635 6.951 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.595 10.468 6.691 1.00 0.00 C ATOM 1417 OH TYR A 94 32.001 11.378 7.641 1.00 0.00 O ATOM 0 H TYR A 94 32.319 6.961 1.904 1.00 0.00 H new ATOM 0 HA TYR A 94 31.526 6.087 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.283 8.130 2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.318 7.300 3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.367 9.430 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.288 8.071 6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 94 33.094 11.050 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 94 30.011 9.695 7.897 1.00 0.00 H new ATOM 0 HH TYR A 94 31.429 11.301 8.433 1.00 0.00 H new ATOM 1427 N VAL A 95 30.270 4.190 3.673 1.00 0.00 N ATOM 1428 CA VAL A 95 29.570 3.028 3.138 1.00 0.00 C ATOM 1429 C VAL A 95 28.059 3.217 3.208 1.00 0.00 C ATOM 1430 O VAL A 95 27.473 3.218 4.291 1.00 0.00 O ATOM 1431 CB VAL A 95 29.952 1.744 3.898 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.244 0.538 3.299 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.460 1.547 3.886 1.00 0.00 C ATOM 0 H VAL A 95 30.557 4.098 4.648 1.00 0.00 H new ATOM 0 HA VAL A 95 29.873 2.928 2.096 1.00 0.00 H new ATOM 0 HB VAL A 95 29.630 1.847 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.526 -0.360 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.165 0.680 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.533 0.429 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.712 0.635 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.808 1.466 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.942 2.399 4.366 1.00 0.00 H new ATOM 1443 N ILE A 96 27.434 3.376 2.046 1.00 0.00 N ATOM 1444 CA ILE A 96 25.991 3.564 1.975 1.00 0.00 C ATOM 1445 C ILE A 96 25.282 2.257 1.636 1.00 0.00 C ATOM 1446 O ILE A 96 25.767 1.466 0.825 1.00 0.00 O ATOM 1447 CB ILE A 96 25.612 4.627 0.927 1.00 0.00 C ATOM 1448 CG1 ILE A 96 26.111 6.006 1.365 1.00 0.00 C ATOM 1449 CG2 ILE A 96 24.106 4.646 0.713 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.519 6.312 0.905 1.00 0.00 C ATOM 0 H ILE A 96 27.905 3.378 1.141 1.00 0.00 H new ATOM 0 HA ILE A 96 25.669 3.905 2.959 1.00 0.00 H new ATOM 0 HB ILE A 96 26.090 4.371 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.436 6.768 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 96 26.071 6.070 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.854 5.402 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.776 3.668 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.608 4.881 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.807 7.305 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.205 5.571 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.561 6.281 -0.184 1.00 0.00 H new ATOM 1462 N THR A 97 24.130 2.035 2.261 1.00 0.00 N ATOM 1463 CA THR A 97 23.353 0.824 2.025 1.00 0.00 C ATOM 1464 C THR A 97 21.880 1.150 1.809 1.00 0.00 C ATOM 1465 O THR A 97 21.369 2.142 2.330 1.00 0.00 O ATOM 1466 CB THR A 97 23.482 -0.163 3.200 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.192 0.503 4.434 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.881 -0.759 3.255 1.00 0.00 C ATOM 0 H THR A 97 23.714 2.678 2.935 1.00 0.00 H new ATOM 0 HA THR A 97 23.755 0.360 1.124 1.00 0.00 H new ATOM 0 HB THR A 97 22.766 -0.971 3.047 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.670 1.358 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.948 -1.453 4.093 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.087 -1.291 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.612 0.039 3.386 1.00 0.00 H new ATOM 1476 N LEU A 98 21.200 0.308 1.038 1.00 0.00 N ATOM 1477 CA LEU A 98 19.783 0.506 0.754 1.00 0.00 C ATOM 1478 C LEU A 98 19.046 -0.829 0.699 1.00 0.00 C ATOM 1479 O LEU A 98 19.537 -1.798 0.119 1.00 0.00 O ATOM 1480 CB LEU A 98 19.607 1.252 -0.570 1.00 0.00 C ATOM 1481 CG LEU A 98 18.182 1.321 -1.118 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.459 2.544 -0.574 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.195 1.341 -2.640 1.00 0.00 C ATOM 0 H LEU A 98 21.607 -0.518 0.599 1.00 0.00 H new ATOM 0 HA LEU A 98 19.357 1.103 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.975 2.270 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.240 0.776 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 98 17.645 0.431 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.446 2.576 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.417 2.488 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.995 3.445 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.172 1.390 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.750 2.212 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.673 0.435 -3.012 1.00 0.00 H new ATOM 1495 N LYS A 99 17.865 -0.872 1.306 1.00 0.00 N ATOM 1496 CA LYS A 99 17.058 -2.087 1.325 1.00 0.00 C ATOM 1497 C LYS A 99 15.572 -1.751 1.389 1.00 0.00 C ATOM 1498 O LYS A 99 15.154 -0.887 2.160 1.00 0.00 O ATOM 1499 CB LYS A 99 17.446 -2.963 2.518 1.00 0.00 C ATOM 1500 CG LYS A 99 16.904 -2.460 3.844 1.00 0.00 C ATOM 1501 CD LYS A 99 17.104 -3.481 4.952 1.00 0.00 C ATOM 1502 CE LYS A 99 18.428 -3.273 5.670 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.369 -2.129 6.622 1.00 0.00 N ATOM 0 H LYS A 99 17.445 -0.079 1.792 1.00 0.00 H new ATOM 0 HA LYS A 99 17.249 -2.635 0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.082 -3.976 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.533 -3.020 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.403 -1.529 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.842 -2.235 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.285 -3.407 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.071 -4.486 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.695 -4.181 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.215 -3.095 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.268 -2.062 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.206 -1.247 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.591 -2.278 7.296 1.00 0.00 H new ATOM 1517 N ALA A 100 14.778 -2.441 0.577 1.00 0.00 N ATOM 1518 CA ALA A 100 13.338 -2.218 0.544 1.00 0.00 C ATOM 1519 C ALA A 100 12.641 -2.966 1.676 1.00 0.00 C ATOM 1520 O ALA A 100 13.082 -4.040 2.086 1.00 0.00 O ATOM 1521 CB ALA A 100 12.768 -2.642 -0.801 1.00 0.00 C ATOM 0 H ALA A 100 15.108 -3.160 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 100 13.157 -1.152 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.692 -2.470 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.236 -2.059 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.967 -3.701 -0.963 1.00 0.00 H new ATOM 1527 N PHE A 101 11.552 -2.393 2.176 1.00 0.00 N ATOM 1528 CA PHE A 101 10.795 -3.005 3.262 1.00 0.00 C ATOM 1529 C PHE A 101 9.297 -2.785 3.072 1.00 0.00 C ATOM 1530 O PHE A 101 8.876 -1.799 2.470 1.00 0.00 O ATOM 1531 CB PHE A 101 11.240 -2.432 4.609 1.00 0.00 C ATOM 1532 CG PHE A 101 10.797 -1.014 4.833 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.495 -0.733 5.214 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.683 0.038 4.661 1.00 0.00 C ATOM 1535 CE1 PHE A 101 9.085 0.570 5.421 1.00 0.00 C ATOM 1536 CE2 PHE A 101 11.278 1.343 4.867 1.00 0.00 C ATOM 1537 CZ PHE A 101 9.977 1.610 5.246 1.00 0.00 C ATOM 0 H PHE A 101 11.173 -1.505 1.847 1.00 0.00 H new ATOM 0 HA PHE A 101 10.991 -4.077 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.846 -3.058 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.327 -2.479 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.792 -1.542 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.701 -0.164 4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.068 0.775 5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.978 2.154 4.732 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.658 2.629 5.405 1.00 0.00 H new ATOM 1547 N ASN A 102 8.499 -3.712 3.591 1.00 0.00 N ATOM 1548 CA ASN A 102 7.048 -3.621 3.478 1.00 0.00 C ATOM 1549 C ASN A 102 6.368 -4.223 4.704 1.00 0.00 C ATOM 1550 O ASN A 102 7.032 -4.649 5.648 1.00 0.00 O ATOM 1551 CB ASN A 102 6.568 -4.335 2.213 1.00 0.00 C ATOM 1552 CG ASN A 102 6.822 -5.829 2.260 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.589 -6.313 3.092 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.178 -6.567 1.364 1.00 0.00 N ATOM 0 H ASN A 102 8.832 -4.535 4.094 1.00 0.00 H new ATOM 0 HA ASN A 102 6.779 -2.567 3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.501 -4.155 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.074 -3.911 1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.310 -7.578 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.551 -6.123 0.693 1.00 0.00 H new ATOM 1561 N ASN A 103 5.040 -4.256 4.682 1.00 0.00 N ATOM 1562 CA ASN A 103 4.269 -4.806 5.791 1.00 0.00 C ATOM 1563 C ASN A 103 4.853 -6.139 6.250 1.00 0.00 C ATOM 1564 O ASN A 103 4.894 -6.432 7.445 1.00 0.00 O ATOM 1565 CB ASN A 103 2.807 -4.991 5.382 1.00 0.00 C ATOM 1566 CG ASN A 103 2.606 -6.194 4.480 1.00 0.00 C ATOM 1567 OD1 ASN A 103 3.239 -6.309 3.431 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.722 -7.097 4.887 1.00 0.00 N ATOM 0 H ASN A 103 4.475 -3.908 3.908 1.00 0.00 H new ATOM 0 HA ASN A 103 4.320 -4.101 6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.194 -5.104 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.460 -4.094 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.545 -7.928 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.220 -6.960 5.764 1.00 0.00 H new ATOM 1575 N VAL A 104 5.304 -6.943 5.292 1.00 0.00 N ATOM 1576 CA VAL A 104 5.887 -8.244 5.597 1.00 0.00 C ATOM 1577 C VAL A 104 7.259 -8.093 6.244 1.00 0.00 C ATOM 1578 O VAL A 104 7.548 -8.715 7.265 1.00 0.00 O ATOM 1579 CB VAL A 104 6.020 -9.110 4.331 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.645 -10.455 4.667 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.664 -9.294 3.667 1.00 0.00 C ATOM 0 H VAL A 104 5.277 -6.716 4.298 1.00 0.00 H new ATOM 0 HA VAL A 104 5.212 -8.738 6.296 1.00 0.00 H new ATOM 0 HB VAL A 104 6.677 -8.597 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.731 -11.053 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.636 -10.299 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.017 -10.978 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.777 -9.909 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.982 -9.785 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.260 -8.321 3.389 1.00 0.00 H new ATOM 1591 N GLY A 105 8.103 -7.261 5.641 1.00 0.00 N ATOM 1592 CA GLY A 105 9.436 -7.042 6.172 1.00 0.00 C ATOM 1593 C GLY A 105 10.392 -6.494 5.131 1.00 0.00 C ATOM 1594 O GLY A 105 9.965 -5.956 4.110 1.00 0.00 O ATOM 0 H GLY A 105 7.887 -6.735 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.380 -6.348 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.828 -7.982 6.561 1.00 0.00 H new ATOM 1598 N GLU A 106 11.688 -6.628 5.392 1.00 0.00 N ATOM 1599 CA GLU A 106 12.707 -6.139 4.470 1.00 0.00 C ATOM 1600 C GLU A 106 13.481 -7.298 3.850 1.00 0.00 C ATOM 1601 O GLU A 106 13.478 -8.411 4.373 1.00 0.00 O ATOM 1602 CB GLU A 106 13.671 -5.196 5.193 1.00 0.00 C ATOM 1603 CG GLU A 106 14.108 -5.702 6.557 1.00 0.00 C ATOM 1604 CD GLU A 106 14.998 -6.927 6.467 1.00 0.00 C ATOM 1605 OE1 GLU A 106 16.103 -6.817 5.897 1.00 0.00 O ATOM 1606 OE2 GLU A 106 14.587 -7.995 6.967 1.00 0.00 O ATOM 0 H GLU A 106 12.057 -7.071 6.233 1.00 0.00 H new ATOM 0 HA GLU A 106 12.205 -5.592 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.553 -5.045 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.194 -4.223 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.640 -4.908 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.226 -5.941 7.151 1.00 0.00 H new ATOM 1613 N GLY A 107 14.145 -7.027 2.729 1.00 0.00 N ATOM 1614 CA GLY A 107 14.914 -8.057 2.055 1.00 0.00 C ATOM 1615 C GLY A 107 16.405 -7.909 2.284 1.00 0.00 C ATOM 1616 O GLY A 107 16.846 -7.660 3.407 1.00 0.00 O ATOM 0 H GLY A 107 14.164 -6.113 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.591 -9.037 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.708 -8.019 0.985 1.00 0.00 H new ATOM 1620 N ILE A 108 17.184 -8.066 1.219 1.00 0.00 N ATOM 1621 CA ILE A 108 18.634 -7.949 1.310 1.00 0.00 C ATOM 1622 C ILE A 108 19.103 -6.567 0.868 1.00 0.00 C ATOM 1623 O ILE A 108 18.782 -6.094 -0.223 1.00 0.00 O ATOM 1624 CB ILE A 108 19.339 -9.017 0.453 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.490 -10.287 0.381 1.00 0.00 C ATOM 1626 CG2 ILE A 108 20.717 -9.325 1.019 1.00 0.00 C ATOM 1627 CD1 ILE A 108 18.537 -11.118 1.645 1.00 0.00 C ATOM 0 H ILE A 108 16.835 -8.274 0.283 1.00 0.00 H new ATOM 0 HA ILE A 108 18.898 -8.102 2.356 1.00 0.00 H new ATOM 0 HB ILE A 108 19.462 -8.628 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.456 -10.012 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.831 -10.895 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 108 21.203 -10.081 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 108 21.320 -8.417 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 108 20.617 -9.697 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 108 17.912 -12.003 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 108 19.565 -11.424 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 108 18.168 -10.527 2.483 1.00 0.00 H new ATOM 1639 N PRO A 109 19.883 -5.902 1.733 1.00 0.00 N ATOM 1640 CA PRO A 109 20.416 -4.566 1.453 1.00 0.00 C ATOM 1641 C PRO A 109 21.477 -4.582 0.358 1.00 0.00 C ATOM 1642 O PRO A 109 21.754 -5.625 -0.236 1.00 0.00 O ATOM 1643 CB PRO A 109 21.032 -4.143 2.789 1.00 0.00 C ATOM 1644 CG PRO A 109 21.362 -5.423 3.476 1.00 0.00 C ATOM 1645 CD PRO A 109 20.306 -6.405 3.051 1.00 0.00 C ATOM 0 HA PRO A 109 19.644 -3.887 1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.923 -3.533 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.333 -3.547 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.355 -5.772 3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.364 -5.296 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.702 -7.418 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.475 -6.432 3.756 1.00 0.00 H new ATOM 1653 N LEU A 110 22.067 -3.421 0.096 1.00 0.00 N ATOM 1654 CA LEU A 110 23.099 -3.302 -0.928 1.00 0.00 C ATOM 1655 C LEU A 110 24.317 -2.558 -0.390 1.00 0.00 C ATOM 1656 O LEU A 110 24.197 -1.702 0.487 1.00 0.00 O ATOM 1657 CB LEU A 110 22.546 -2.578 -2.156 1.00 0.00 C ATOM 1658 CG LEU A 110 21.487 -3.333 -2.961 1.00 0.00 C ATOM 1659 CD1 LEU A 110 21.004 -2.490 -4.130 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.039 -4.663 -3.452 1.00 0.00 C ATOM 0 H LEU A 110 21.849 -2.549 0.578 1.00 0.00 H new ATOM 0 HA LEU A 110 23.408 -4.307 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.119 -1.629 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.378 -2.343 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 110 20.637 -3.534 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.251 -3.043 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.569 -1.563 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.845 -2.258 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.272 -5.187 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.906 -4.485 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.335 -5.272 -2.598 1.00 0.00 H new ATOM 1672 N TYR A 111 25.488 -2.887 -0.923 1.00 0.00 N ATOM 1673 CA TYR A 111 26.728 -2.250 -0.497 1.00 0.00 C ATOM 1674 C TYR A 111 27.265 -1.321 -1.581 1.00 0.00 C ATOM 1675 O TYR A 111 27.308 -1.683 -2.757 1.00 0.00 O ATOM 1676 CB TYR A 111 27.778 -3.309 -0.151 1.00 0.00 C ATOM 1677 CG TYR A 111 27.651 -3.851 1.254 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.457 -4.402 1.703 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.726 -3.813 2.134 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.336 -4.898 2.986 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.615 -4.308 3.419 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.418 -4.849 3.840 1.00 0.00 C ATOM 1683 OH TYR A 111 27.303 -5.343 5.119 1.00 0.00 O ATOM 0 H TYR A 111 25.605 -3.592 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 111 26.514 -1.656 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.696 -4.134 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.771 -2.878 -0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.608 -4.443 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.664 -3.389 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.400 -5.322 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.460 -4.272 4.090 1.00 0.00 H new ATOM 0 HH TYR A 111 28.156 -5.234 5.590 1.00 0.00 H new ATOM 1693 N GLU A 112 27.673 -0.123 -1.176 1.00 0.00 N ATOM 1694 CA GLU A 112 28.206 0.859 -2.113 1.00 0.00 C ATOM 1695 C GLU A 112 29.389 1.606 -1.504 1.00 0.00 C ATOM 1696 O GLU A 112 29.757 1.374 -0.353 1.00 0.00 O ATOM 1697 CB GLU A 112 27.116 1.852 -2.521 1.00 0.00 C ATOM 1698 CG GLU A 112 26.324 1.419 -3.743 1.00 0.00 C ATOM 1699 CD GLU A 112 27.214 0.980 -4.890 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.785 1.860 -5.567 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.339 -0.243 -5.110 1.00 0.00 O ATOM 0 H GLU A 112 27.645 0.191 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 112 28.552 0.327 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.431 1.990 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.575 2.820 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.660 0.599 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.693 2.244 -4.073 1.00 0.00 H new ATOM 1708 N SER A 113 29.980 2.505 -2.285 1.00 0.00 N ATOM 1709 CA SER A 113 31.123 3.284 -1.825 1.00 0.00 C ATOM 1710 C SER A 113 31.043 4.720 -2.334 1.00 0.00 C ATOM 1711 O SER A 113 30.700 4.961 -3.491 1.00 0.00 O ATOM 1712 CB SER A 113 32.429 2.637 -2.291 1.00 0.00 C ATOM 1713 OG SER A 113 32.477 2.547 -3.704 1.00 0.00 O ATOM 0 H SER A 113 29.686 2.712 -3.240 1.00 0.00 H new ATOM 0 HA SER A 113 31.104 3.302 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.276 3.221 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.521 1.642 -1.857 1.00 0.00 H new ATOM 0 HG SER A 113 33.322 2.132 -3.977 1.00 0.00 H new ATOM 1719 N ALA A 114 31.363 5.670 -1.462 1.00 0.00 N ATOM 1720 CA ALA A 114 31.329 7.081 -1.823 1.00 0.00 C ATOM 1721 C ALA A 114 32.369 7.874 -1.037 1.00 0.00 C ATOM 1722 O ALA A 114 32.327 7.925 0.192 1.00 0.00 O ATOM 1723 CB ALA A 114 29.939 7.653 -1.588 1.00 0.00 C ATOM 0 H ALA A 114 31.649 5.488 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 114 31.570 7.165 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.929 8.708 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.215 7.112 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.676 7.549 -0.535 1.00 0.00 H new ATOM 1729 N VAL A 115 33.303 8.490 -1.755 1.00 0.00 N ATOM 1730 CA VAL A 115 34.354 9.280 -1.125 1.00 0.00 C ATOM 1731 C VAL A 115 34.088 10.773 -1.282 1.00 0.00 C ATOM 1732 O VAL A 115 34.295 11.343 -2.353 1.00 0.00 O ATOM 1733 CB VAL A 115 35.736 8.951 -1.720 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.813 9.811 -1.076 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.051 7.473 -1.550 1.00 0.00 C ATOM 0 H VAL A 115 33.353 8.457 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 115 34.352 9.023 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 115 35.715 9.174 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.783 9.565 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.593 10.864 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.836 9.622 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.031 7.259 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.053 7.221 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.295 6.878 -2.062 1.00 0.00 H new ATOM 1745 N THR A 116 33.627 11.402 -0.205 1.00 0.00 N ATOM 1746 CA THR A 116 33.331 12.829 -0.222 1.00 0.00 C ATOM 1747 C THR A 116 34.518 13.631 -0.744 1.00 0.00 C ATOM 1748 O THR A 116 35.669 13.333 -0.424 1.00 0.00 O ATOM 1749 CB THR A 116 32.957 13.342 1.181 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.893 12.851 2.147 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.551 12.904 1.561 1.00 0.00 C ATOM 0 H THR A 116 33.451 10.945 0.690 1.00 0.00 H new ATOM 0 HA THR A 116 32.481 12.967 -0.890 1.00 0.00 H new ATOM 0 HB THR A 116 32.989 14.431 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.408 12.439 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.310 13.278 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.838 13.304 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.496 11.815 1.560 1.00 0.00 H new ATOM 1759 N ARG A 117 34.231 14.648 -1.550 1.00 0.00 N ATOM 1760 CA ARG A 117 35.276 15.492 -2.116 1.00 0.00 C ATOM 1761 C ARG A 117 35.989 16.283 -1.023 1.00 0.00 C ATOM 1762 O ARG A 117 35.440 16.542 0.048 1.00 0.00 O ATOM 1763 CB ARG A 117 34.683 16.451 -3.150 1.00 0.00 C ATOM 1764 CG ARG A 117 34.551 15.844 -4.538 1.00 0.00 C ATOM 1765 CD ARG A 117 33.343 14.925 -4.632 1.00 0.00 C ATOM 1766 NE ARG A 117 33.098 14.482 -6.002 1.00 0.00 N ATOM 1767 CZ ARG A 117 33.814 13.543 -6.610 1.00 0.00 C ATOM 1768 NH1 ARG A 117 34.814 12.950 -5.972 1.00 0.00 N ATOM 1769 NH2 ARG A 117 33.529 13.194 -7.858 1.00 0.00 N ATOM 0 H ARG A 117 33.284 14.907 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 117 36.004 14.845 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.700 16.776 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.310 17.341 -3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 117 34.462 16.640 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 117 35.455 15.284 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.498 14.056 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 117 32.462 15.445 -4.256 1.00 0.00 H new ATOM 0 HE ARG A 117 32.335 14.918 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.035 13.215 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.362 12.229 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 117 32.760 13.647 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 117 34.079 12.473 -8.324 1.00 0.00 H new ATOM 1783 N PRO A 118 37.241 16.677 -1.298 1.00 0.00 N ATOM 1784 CA PRO A 118 38.055 17.445 -0.351 1.00 0.00 C ATOM 1785 C PRO A 118 37.543 18.869 -0.167 1.00 0.00 C ATOM 1786 O PRO A 118 37.340 19.597 -1.140 1.00 0.00 O ATOM 1787 CB PRO A 118 39.441 17.455 -1.001 1.00 0.00 C ATOM 1788 CG PRO A 118 39.177 17.279 -2.457 1.00 0.00 C ATOM 1789 CD PRO A 118 37.958 16.405 -2.555 1.00 0.00 C ATOM 0 HA PRO A 118 38.040 17.007 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.964 18.391 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.067 16.652 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.008 18.240 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.029 16.817 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.352 16.656 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.225 15.352 -2.646 1.00 0.00 H new ATOM 1797 N HIS A 119 37.335 19.262 1.086 1.00 0.00 N ATOM 1798 CA HIS A 119 36.848 20.601 1.396 1.00 0.00 C ATOM 1799 C HIS A 119 37.969 21.472 1.954 1.00 0.00 C ATOM 1800 O HIS A 119 38.323 21.371 3.129 1.00 0.00 O ATOM 1801 CB HIS A 119 35.696 20.527 2.400 1.00 0.00 C ATOM 1802 CG HIS A 119 35.144 21.867 2.777 1.00 0.00 C ATOM 1803 ND1 HIS A 119 34.904 22.868 1.860 1.00 0.00 N ATOM 1804 CD2 HIS A 119 34.782 22.368 3.982 1.00 0.00 C ATOM 1805 CE1 HIS A 119 34.420 23.927 2.483 1.00 0.00 C ATOM 1806 NE2 HIS A 119 34.336 23.650 3.772 1.00 0.00 N ATOM 0 H HIS A 119 37.496 18.672 1.902 1.00 0.00 H new ATOM 0 HA HIS A 119 36.487 21.053 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 119 34.896 19.919 1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 119 36.042 20.019 3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 119 34.834 21.855 4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 119 34.140 24.861 2.018 1.00 0.00 H new ATOM 0 HE2 HIS A 119 33.995 24.285 4.494 1.00 0.00 H new ATOM 1815 N THR A 120 38.526 22.328 1.103 1.00 0.00 N ATOM 1816 CA THR A 120 39.608 23.215 1.509 1.00 0.00 C ATOM 1817 C THR A 120 39.234 24.002 2.760 1.00 0.00 C ATOM 1818 O THR A 120 38.618 25.064 2.675 1.00 0.00 O ATOM 1819 CB THR A 120 39.977 24.203 0.386 1.00 0.00 C ATOM 1820 OG1 THR A 120 38.824 24.958 0.000 1.00 0.00 O ATOM 1821 CG2 THR A 120 40.535 23.465 -0.822 1.00 0.00 C ATOM 0 H THR A 120 38.245 22.425 0.127 1.00 0.00 H new ATOM 0 HA THR A 120 40.470 22.583 1.724 1.00 0.00 H new ATOM 0 HB THR A 120 40.743 24.880 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 120 38.373 25.299 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 120 40.788 24.183 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 120 41.430 22.915 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 120 39.787 22.768 -1.200 1.00 0.00 H new ATOM 1829 N SER A 121 39.611 23.474 3.921 1.00 0.00 N ATOM 1830 CA SER A 121 39.311 24.127 5.190 1.00 0.00 C ATOM 1831 C SER A 121 40.139 25.398 5.356 1.00 0.00 C ATOM 1832 O SER A 121 40.964 25.730 4.506 1.00 0.00 O ATOM 1833 CB SER A 121 39.583 23.172 6.354 1.00 0.00 C ATOM 1834 OG SER A 121 40.951 22.805 6.405 1.00 0.00 O ATOM 0 H SER A 121 40.124 22.597 4.009 1.00 0.00 H new ATOM 0 HA SER A 121 38.256 24.399 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 121 39.296 23.646 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 121 38.968 22.279 6.247 1.00 0.00 H new ATOM 0 HG SER A 121 41.098 22.196 7.158 1.00 0.00 H new ATOM 1840 N GLY A 122 39.910 26.105 6.458 1.00 0.00 N ATOM 1841 CA GLY A 122 40.641 27.332 6.717 1.00 0.00 C ATOM 1842 C GLY A 122 40.173 28.480 5.845 1.00 0.00 C ATOM 1843 O GLY A 122 39.422 28.295 4.888 1.00 0.00 O ATOM 0 H GLY A 122 39.232 25.850 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 122 40.525 27.606 7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 122 41.704 27.161 6.547 1.00 0.00 H new ATOM 1847 N PRO A 123 40.622 29.701 6.176 1.00 0.00 N ATOM 1848 CA PRO A 123 40.256 30.908 5.428 1.00 0.00 C ATOM 1849 C PRO A 123 40.888 30.944 4.041 1.00 0.00 C ATOM 1850 O PRO A 123 42.011 31.419 3.872 1.00 0.00 O ATOM 1851 CB PRO A 123 40.806 32.042 6.296 1.00 0.00 C ATOM 1852 CG PRO A 123 41.923 31.424 7.064 1.00 0.00 C ATOM 1853 CD PRO A 123 41.520 29.996 7.304 1.00 0.00 C ATOM 0 HA PRO A 123 39.182 30.969 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 123 41.158 32.873 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 123 40.039 32.438 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 123 42.857 31.477 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 123 42.085 31.947 8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 123 42.384 29.331 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 123 41.014 29.877 8.262 1.00 0.00 H new ATOM 1861 N SER A 124 40.159 30.440 3.050 1.00 0.00 N ATOM 1862 CA SER A 124 40.651 30.412 1.678 1.00 0.00 C ATOM 1863 C SER A 124 40.443 31.763 0.999 1.00 0.00 C ATOM 1864 O SER A 124 39.405 32.403 1.169 1.00 0.00 O ATOM 1865 CB SER A 124 39.942 29.315 0.882 1.00 0.00 C ATOM 1866 OG SER A 124 40.779 28.805 -0.141 1.00 0.00 O ATOM 0 H SER A 124 39.226 30.046 3.172 1.00 0.00 H new ATOM 0 HA SER A 124 41.720 30.199 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 124 39.648 28.507 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 124 39.027 29.713 0.443 1.00 0.00 H new ATOM 0 HG SER A 124 40.303 28.104 -0.634 1.00 0.00 H new ATOM 1872 N SER A 125 41.439 32.191 0.229 1.00 0.00 N ATOM 1873 CA SER A 125 41.368 33.467 -0.473 1.00 0.00 C ATOM 1874 C SER A 125 42.541 33.622 -1.437 1.00 0.00 C ATOM 1875 O SER A 125 43.484 32.833 -1.416 1.00 0.00 O ATOM 1876 CB SER A 125 41.361 34.624 0.528 1.00 0.00 C ATOM 1877 OG SER A 125 42.520 34.602 1.342 1.00 0.00 O ATOM 0 H SER A 125 42.304 31.673 0.076 1.00 0.00 H new ATOM 0 HA SER A 125 40.442 33.487 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 125 41.307 35.572 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 125 40.471 34.561 1.155 1.00 0.00 H new ATOM 0 HG SER A 125 42.492 35.352 1.972 1.00 0.00 H new ATOM 1883 N GLY A 126 42.472 34.646 -2.283 1.00 0.00 N ATOM 1884 CA GLY A 126 43.533 34.886 -3.243 1.00 0.00 C ATOM 1885 C GLY A 126 43.654 36.350 -3.618 1.00 0.00 C ATOM 1886 O GLY A 126 44.639 37.005 -3.278 1.00 0.00 O ATOM 0 H GLY A 126 41.701 35.313 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 126 44.480 34.541 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 126 43.346 34.298 -4.142 1.00 0.00 H new TER 1890 GLY A 126