USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 80 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.1!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 CYS SG : rot 76:sc= -0.267 USER MOD Set 2.2: A 74 ASN : amide:sc=-0.00939 K(o=-0.28,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.039) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -92:sc= 0.179 USER MOD Single : A 20 THR OG1 : rot -31:sc= 0.795 USER MOD Single : A 21 CYS SG : rot -57:sc= -1.52 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.69! K(o=-2.7!,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -120:sc= -2.36! USER MOD Single : A 43 GLN : amide:sc= 0.132 K(o=0.13,f=-0.92) USER MOD Single : A 44 ASN : amide:sc= -3.83 K(o=-3.8,f=-12!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.436 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.7) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 120:sc= -0.227 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.53 K(o=-0.53,f=0) USER MOD Single : A 89 SER OG : rot -50:sc= 0.851 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 28:sc= 0.017 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.544 2.110 -26.399 1.00 0.00 N ATOM 2 CA GLY A 1 4.238 3.194 -25.728 1.00 0.00 C ATOM 3 C GLY A 1 5.690 3.300 -26.147 1.00 0.00 C ATOM 4 O GLY A 1 6.533 2.525 -25.695 1.00 0.00 O ATOM 0 H1 GLY A 1 2.555 2.080 -26.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.570 2.265 -27.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.009 1.208 -26.173 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.731 4.135 -25.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.184 3.043 -24.650 1.00 0.00 H new ATOM 8 N SER A 2 5.985 4.262 -27.016 1.00 0.00 N ATOM 9 CA SER A 2 7.345 4.463 -27.502 1.00 0.00 C ATOM 10 C SER A 2 8.072 5.509 -26.662 1.00 0.00 C ATOM 11 O SER A 2 7.493 6.103 -25.753 1.00 0.00 O ATOM 12 CB SER A 2 7.328 4.893 -28.970 1.00 0.00 C ATOM 13 OG SER A 2 6.776 6.190 -29.114 1.00 0.00 O ATOM 0 H SER A 2 5.300 4.914 -27.398 1.00 0.00 H new ATOM 0 HA SER A 2 7.879 3.517 -27.415 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.343 4.880 -29.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.747 4.180 -29.555 1.00 0.00 H new ATOM 0 HG SER A 2 6.778 6.443 -30.061 1.00 0.00 H new ATOM 19 N SER A 3 9.345 5.729 -26.975 1.00 0.00 N ATOM 20 CA SER A 3 10.154 6.701 -26.247 1.00 0.00 C ATOM 21 C SER A 3 10.376 7.957 -27.084 1.00 0.00 C ATOM 22 O SER A 3 10.730 7.880 -28.259 1.00 0.00 O ATOM 23 CB SER A 3 11.501 6.087 -25.861 1.00 0.00 C ATOM 24 OG SER A 3 12.360 5.993 -26.984 1.00 0.00 O ATOM 0 H SER A 3 9.838 5.248 -27.727 1.00 0.00 H new ATOM 0 HA SER A 3 9.616 6.979 -25.341 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.973 6.694 -25.088 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.344 5.096 -25.436 1.00 0.00 H new ATOM 0 HG SER A 3 13.215 5.599 -26.710 1.00 0.00 H new ATOM 30 N GLY A 4 10.165 9.116 -26.467 1.00 0.00 N ATOM 31 CA GLY A 4 10.346 10.374 -27.168 1.00 0.00 C ATOM 32 C GLY A 4 9.677 11.535 -26.460 1.00 0.00 C ATOM 33 O GLY A 4 10.345 12.466 -26.012 1.00 0.00 O ATOM 0 H GLY A 4 9.872 9.206 -25.494 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.412 10.580 -27.269 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.941 10.286 -28.176 1.00 0.00 H new ATOM 37 N SER A 5 8.352 11.480 -26.359 1.00 0.00 N ATOM 38 CA SER A 5 7.591 12.538 -25.705 1.00 0.00 C ATOM 39 C SER A 5 7.778 12.485 -24.191 1.00 0.00 C ATOM 40 O SER A 5 8.062 13.499 -23.554 1.00 0.00 O ATOM 41 CB SER A 5 6.106 12.417 -26.052 1.00 0.00 C ATOM 42 OG SER A 5 5.408 13.608 -25.729 1.00 0.00 O ATOM 0 H SER A 5 7.784 10.714 -26.722 1.00 0.00 H new ATOM 0 HA SER A 5 7.964 13.496 -26.066 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.994 12.203 -27.115 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.670 11.578 -25.510 1.00 0.00 H new ATOM 0 HG SER A 5 4.462 13.506 -25.962 1.00 0.00 H new ATOM 48 N SER A 6 7.615 11.294 -23.623 1.00 0.00 N ATOM 49 CA SER A 6 7.761 11.108 -22.184 1.00 0.00 C ATOM 50 C SER A 6 9.219 11.256 -21.762 1.00 0.00 C ATOM 51 O SER A 6 10.129 10.832 -22.473 1.00 0.00 O ATOM 52 CB SER A 6 7.236 9.731 -21.771 1.00 0.00 C ATOM 53 OG SER A 6 5.870 9.582 -22.116 1.00 0.00 O ATOM 0 H SER A 6 7.382 10.444 -24.137 1.00 0.00 H new ATOM 0 HA SER A 6 7.176 11.878 -21.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.824 8.953 -22.258 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.359 9.599 -20.696 1.00 0.00 H new ATOM 0 HG SER A 6 5.559 8.694 -21.843 1.00 0.00 H new ATOM 59 N GLY A 7 9.434 11.863 -20.599 1.00 0.00 N ATOM 60 CA GLY A 7 10.783 12.058 -20.101 1.00 0.00 C ATOM 61 C GLY A 7 11.100 11.162 -18.920 1.00 0.00 C ATOM 62 O GLY A 7 11.594 10.049 -19.092 1.00 0.00 O ATOM 0 H GLY A 7 8.697 12.223 -19.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.495 11.862 -20.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.912 13.100 -19.808 1.00 0.00 H new ATOM 66 N ASN A 8 10.817 11.650 -17.716 1.00 0.00 N ATOM 67 CA ASN A 8 11.078 10.886 -16.502 1.00 0.00 C ATOM 68 C ASN A 8 10.225 9.622 -16.460 1.00 0.00 C ATOM 69 O ASN A 8 10.747 8.510 -16.377 1.00 0.00 O ATOM 70 CB ASN A 8 10.799 11.743 -15.266 1.00 0.00 C ATOM 71 CG ASN A 8 11.446 13.112 -15.354 1.00 0.00 C ATOM 72 OD1 ASN A 8 12.640 13.265 -15.097 1.00 0.00 O ATOM 73 ND2 ASN A 8 10.657 14.117 -15.719 1.00 0.00 N ATOM 0 H ASN A 8 10.407 12.570 -17.556 1.00 0.00 H new ATOM 0 HA ASN A 8 12.128 10.594 -16.505 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.722 11.860 -15.144 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.166 11.227 -14.379 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.036 15.061 -15.795 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.673 13.944 -15.923 1.00 0.00 H new ATOM 80 N ASP A 9 8.910 9.800 -16.519 1.00 0.00 N ATOM 81 CA ASP A 9 7.983 8.675 -16.490 1.00 0.00 C ATOM 82 C ASP A 9 6.607 9.090 -17.001 1.00 0.00 C ATOM 83 O ASP A 9 6.346 10.273 -17.219 1.00 0.00 O ATOM 84 CB ASP A 9 7.867 8.118 -15.070 1.00 0.00 C ATOM 85 CG ASP A 9 7.915 9.207 -14.016 1.00 0.00 C ATOM 86 OD1 ASP A 9 6.886 9.888 -13.819 1.00 0.00 O ATOM 87 OD2 ASP A 9 8.980 9.378 -13.388 1.00 0.00 O ATOM 0 H ASP A 9 8.462 10.714 -16.587 1.00 0.00 H new ATOM 0 HA ASP A 9 8.374 7.897 -17.146 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.933 7.565 -14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.676 7.409 -14.893 1.00 0.00 H new ATOM 92 N ALA A 10 5.731 8.109 -17.191 1.00 0.00 N ATOM 93 CA ALA A 10 4.381 8.373 -17.675 1.00 0.00 C ATOM 94 C ALA A 10 3.628 9.297 -16.724 1.00 0.00 C ATOM 95 O ALA A 10 4.131 9.652 -15.658 1.00 0.00 O ATOM 96 CB ALA A 10 3.622 7.067 -17.858 1.00 0.00 C ATOM 0 H ALA A 10 5.932 7.124 -17.017 1.00 0.00 H new ATOM 0 HA ALA A 10 4.458 8.874 -18.640 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.616 7.279 -18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.144 6.441 -18.582 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.562 6.544 -16.903 1.00 0.00 H new ATOM 102 N VAL A 11 2.418 9.684 -17.117 1.00 0.00 N ATOM 103 CA VAL A 11 1.595 10.567 -16.299 1.00 0.00 C ATOM 104 C VAL A 11 0.781 9.774 -15.283 1.00 0.00 C ATOM 105 O VAL A 11 0.403 10.294 -14.233 1.00 0.00 O ATOM 106 CB VAL A 11 0.637 11.404 -17.167 1.00 0.00 C ATOM 107 CG1 VAL A 11 1.415 12.398 -18.015 1.00 0.00 C ATOM 108 CG2 VAL A 11 -0.218 10.499 -18.041 1.00 0.00 C ATOM 0 H VAL A 11 1.986 9.400 -17.996 1.00 0.00 H new ATOM 0 HA VAL A 11 2.275 11.236 -15.772 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.025 11.966 -16.508 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.721 12.980 -18.621 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.979 13.067 -17.365 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.103 11.860 -18.667 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.889 11.107 -18.648 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.426 9.909 -18.693 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.804 9.832 -17.410 1.00 0.00 H new ATOM 118 N ASP A 12 0.515 8.512 -15.601 1.00 0.00 N ATOM 119 CA ASP A 12 -0.253 7.645 -14.715 1.00 0.00 C ATOM 120 C ASP A 12 0.453 7.478 -13.373 1.00 0.00 C ATOM 121 O ASP A 12 -0.141 7.009 -12.402 1.00 0.00 O ATOM 122 CB ASP A 12 -0.470 6.278 -15.366 1.00 0.00 C ATOM 123 CG ASP A 12 -0.938 6.389 -16.803 1.00 0.00 C ATOM 124 OD1 ASP A 12 -2.119 6.732 -17.018 1.00 0.00 O ATOM 125 OD2 ASP A 12 -0.122 6.133 -17.714 1.00 0.00 O ATOM 0 H ASP A 12 0.820 8.066 -16.466 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.222 8.112 -14.540 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.460 5.711 -15.333 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.206 5.717 -14.790 1.00 0.00 H new ATOM 130 N PHE A 13 1.724 7.863 -13.326 1.00 0.00 N ATOM 131 CA PHE A 13 2.511 7.754 -12.104 1.00 0.00 C ATOM 132 C PHE A 13 2.095 8.817 -11.092 1.00 0.00 C ATOM 133 O PHE A 13 2.288 8.653 -9.887 1.00 0.00 O ATOM 134 CB PHE A 13 4.002 7.889 -12.419 1.00 0.00 C ATOM 135 CG PHE A 13 4.583 6.683 -13.101 1.00 0.00 C ATOM 136 CD1 PHE A 13 4.948 5.565 -12.368 1.00 0.00 C ATOM 137 CD2 PHE A 13 4.763 6.666 -14.474 1.00 0.00 C ATOM 138 CE1 PHE A 13 5.483 4.454 -12.992 1.00 0.00 C ATOM 139 CE2 PHE A 13 5.297 5.558 -15.105 1.00 0.00 C ATOM 140 CZ PHE A 13 5.656 4.450 -14.363 1.00 0.00 C ATOM 0 H PHE A 13 2.231 8.253 -14.120 1.00 0.00 H new ATOM 0 HA PHE A 13 2.326 6.772 -11.669 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.153 8.763 -13.053 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.546 8.069 -11.492 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.813 5.562 -11.297 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.483 7.529 -15.059 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.766 3.590 -12.409 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.433 5.559 -16.176 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.071 3.582 -14.853 1.00 0.00 H new ATOM 150 N SER A 14 1.524 9.909 -11.591 1.00 0.00 N ATOM 151 CA SER A 14 1.085 11.002 -10.732 1.00 0.00 C ATOM 152 C SER A 14 -0.065 10.558 -9.833 1.00 0.00 C ATOM 153 O SER A 14 0.025 10.592 -8.605 1.00 0.00 O ATOM 154 CB SER A 14 0.652 12.201 -11.578 1.00 0.00 C ATOM 155 OG SER A 14 -0.411 12.905 -10.959 1.00 0.00 O ATOM 0 H SER A 14 1.355 10.060 -12.585 1.00 0.00 H new ATOM 0 HA SER A 14 1.924 11.295 -10.101 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.499 12.871 -11.725 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.340 11.860 -12.565 1.00 0.00 H new ATOM 0 HG SER A 14 -0.668 13.667 -11.519 1.00 0.00 H new ATOM 161 N PRO A 15 -1.172 10.132 -10.457 1.00 0.00 N ATOM 162 CA PRO A 15 -2.362 9.672 -9.734 1.00 0.00 C ATOM 163 C PRO A 15 -2.131 8.342 -9.025 1.00 0.00 C ATOM 164 O PRO A 15 -3.047 7.779 -8.425 1.00 0.00 O ATOM 165 CB PRO A 15 -3.410 9.515 -10.838 1.00 0.00 C ATOM 166 CG PRO A 15 -2.620 9.278 -12.079 1.00 0.00 C ATOM 167 CD PRO A 15 -1.349 10.065 -11.917 1.00 0.00 C ATOM 0 HA PRO A 15 -2.654 10.367 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.081 8.682 -10.631 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.028 10.408 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.408 8.217 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.171 9.604 -12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.506 9.572 -12.402 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.433 11.059 -12.357 1.00 0.00 H new ATOM 175 N THR A 16 -0.901 7.843 -9.098 1.00 0.00 N ATOM 176 CA THR A 16 -0.550 6.579 -8.464 1.00 0.00 C ATOM 177 C THR A 16 0.695 6.725 -7.596 1.00 0.00 C ATOM 178 O THR A 16 1.582 7.524 -7.896 1.00 0.00 O ATOM 179 CB THR A 16 -0.305 5.475 -9.510 1.00 0.00 C ATOM 180 OG1 THR A 16 0.843 5.796 -10.303 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.519 5.305 -10.411 1.00 0.00 C ATOM 0 H THR A 16 -0.131 8.296 -9.590 1.00 0.00 H new ATOM 0 HA THR A 16 -1.395 6.295 -7.837 1.00 0.00 H new ATOM 0 HB THR A 16 -0.130 4.538 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.561 6.286 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.323 4.520 -11.142 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.384 5.031 -9.808 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.721 6.242 -10.930 1.00 0.00 H new ATOM 189 N LEU A 17 0.755 5.949 -6.519 1.00 0.00 N ATOM 190 CA LEU A 17 1.892 5.992 -5.608 1.00 0.00 C ATOM 191 C LEU A 17 2.326 4.585 -5.212 1.00 0.00 C ATOM 192 O LEU A 17 1.505 3.694 -4.992 1.00 0.00 O ATOM 193 CB LEU A 17 1.540 6.801 -4.358 1.00 0.00 C ATOM 194 CG LEU A 17 0.970 8.194 -4.627 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.452 8.818 -3.341 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.025 9.086 -5.266 1.00 0.00 C ATOM 0 H LEU A 17 0.029 5.283 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 17 2.721 6.476 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.816 6.236 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.436 6.904 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 17 0.135 8.096 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.051 9.809 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.334 8.190 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.268 8.903 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.603 10.074 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.880 9.176 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.349 8.648 -6.210 1.00 0.00 H new ATOM 208 N PRO A 18 3.648 4.378 -5.119 1.00 0.00 N ATOM 209 CA PRO A 18 4.222 3.080 -4.748 1.00 0.00 C ATOM 210 C PRO A 18 3.964 2.729 -3.287 1.00 0.00 C ATOM 211 O PRO A 18 4.366 3.460 -2.382 1.00 0.00 O ATOM 212 CB PRO A 18 5.720 3.271 -4.997 1.00 0.00 C ATOM 213 CG PRO A 18 5.941 4.739 -4.866 1.00 0.00 C ATOM 214 CD PRO A 18 4.684 5.394 -5.367 1.00 0.00 C ATOM 0 HA PRO A 18 3.783 2.261 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.316 2.715 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.006 2.914 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.137 5.013 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.806 5.057 -5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.474 6.321 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.756 5.645 -6.425 1.00 0.00 H new ATOM 222 N VAL A 19 3.292 1.604 -3.063 1.00 0.00 N ATOM 223 CA VAL A 19 2.983 1.154 -1.711 1.00 0.00 C ATOM 224 C VAL A 19 3.562 -0.231 -1.447 1.00 0.00 C ATOM 225 O VAL A 19 3.730 -1.033 -2.367 1.00 0.00 O ATOM 226 CB VAL A 19 1.463 1.118 -1.466 1.00 0.00 C ATOM 227 CG1 VAL A 19 0.868 2.512 -1.598 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.791 0.149 -2.427 1.00 0.00 C ATOM 0 H VAL A 19 2.951 0.988 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 19 3.437 1.871 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 19 1.284 0.767 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.207 2.467 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.329 3.175 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.055 2.894 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.283 0.136 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.976 0.467 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.197 -0.852 -2.278 1.00 0.00 H new ATOM 238 N THR A 20 3.866 -0.508 -0.183 1.00 0.00 N ATOM 239 CA THR A 20 4.427 -1.797 0.204 1.00 0.00 C ATOM 240 C THR A 20 3.994 -2.184 1.613 1.00 0.00 C ATOM 241 O THR A 20 4.116 -1.394 2.550 1.00 0.00 O ATOM 242 CB THR A 20 5.966 -1.782 0.138 1.00 0.00 C ATOM 243 OG1 THR A 20 6.476 -0.649 0.850 1.00 0.00 O ATOM 244 CG2 THR A 20 6.445 -1.738 -1.306 1.00 0.00 C ATOM 0 H THR A 20 3.733 0.143 0.591 1.00 0.00 H new ATOM 0 HA THR A 20 4.047 -2.533 -0.505 1.00 0.00 H new ATOM 0 HB THR A 20 6.337 -2.697 0.600 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.836 0.091 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.535 -1.728 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.079 -2.617 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.064 -0.838 -1.788 1.00 0.00 H new ATOM 252 N CYS A 21 3.490 -3.405 1.757 1.00 0.00 N ATOM 253 CA CYS A 21 3.038 -3.897 3.054 1.00 0.00 C ATOM 254 C CYS A 21 3.694 -5.234 3.386 1.00 0.00 C ATOM 255 O CYS A 21 3.366 -6.262 2.795 1.00 0.00 O ATOM 256 CB CYS A 21 1.516 -4.045 3.065 1.00 0.00 C ATOM 257 SG CYS A 21 0.820 -4.398 4.696 1.00 0.00 S ATOM 0 H CYS A 21 3.384 -4.072 0.992 1.00 0.00 H new ATOM 0 HA CYS A 21 3.330 -3.171 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.070 -3.127 2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.235 -4.846 2.381 1.00 0.00 H new ATOM 0 HG CYS A 21 1.360 -5.480 5.173 1.00 0.00 H new ATOM 263 N GLY A 22 4.625 -5.211 4.335 1.00 0.00 N ATOM 264 CA GLY A 22 5.313 -6.427 4.728 1.00 0.00 C ATOM 265 C GLY A 22 6.019 -7.095 3.565 1.00 0.00 C ATOM 266 O GLY A 22 7.043 -6.606 3.087 1.00 0.00 O ATOM 0 H GLY A 22 4.915 -4.373 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.041 -6.194 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.595 -7.123 5.162 1.00 0.00 H new ATOM 270 N LYS A 23 5.473 -8.217 3.109 1.00 0.00 N ATOM 271 CA LYS A 23 6.057 -8.954 1.995 1.00 0.00 C ATOM 272 C LYS A 23 5.253 -8.736 0.717 1.00 0.00 C ATOM 273 O LYS A 23 5.438 -9.445 -0.272 1.00 0.00 O ATOM 274 CB LYS A 23 6.119 -10.448 2.322 1.00 0.00 C ATOM 275 CG LYS A 23 4.762 -11.062 2.622 1.00 0.00 C ATOM 276 CD LYS A 23 4.840 -12.577 2.698 1.00 0.00 C ATOM 277 CE LYS A 23 5.262 -13.045 4.083 1.00 0.00 C ATOM 278 NZ LYS A 23 4.865 -14.458 4.336 1.00 0.00 N ATOM 0 H LYS A 23 4.626 -8.636 3.494 1.00 0.00 H new ATOM 0 HA LYS A 23 7.068 -8.580 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.570 -10.977 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.774 -10.597 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.384 -10.668 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.051 -10.772 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.869 -13.005 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.550 -12.943 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.343 -12.948 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.811 -12.400 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.170 -14.739 5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.831 -14.547 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.316 -15.077 3.632 1.00 0.00 H new ATOM 292 N ALA A 24 4.362 -7.751 0.745 1.00 0.00 N ATOM 293 CA ALA A 24 3.533 -7.437 -0.412 1.00 0.00 C ATOM 294 C ALA A 24 3.985 -6.141 -1.077 1.00 0.00 C ATOM 295 O ALA A 24 4.589 -5.280 -0.436 1.00 0.00 O ATOM 296 CB ALA A 24 2.071 -7.340 -0.003 1.00 0.00 C ATOM 0 H ALA A 24 4.196 -7.156 1.557 1.00 0.00 H new ATOM 0 HA ALA A 24 3.644 -8.244 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.464 -7.105 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.747 -8.292 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.953 -6.554 0.743 1.00 0.00 H new ATOM 302 N LYS A 25 3.690 -6.009 -2.366 1.00 0.00 N ATOM 303 CA LYS A 25 4.066 -4.818 -3.118 1.00 0.00 C ATOM 304 C LYS A 25 3.009 -4.480 -4.165 1.00 0.00 C ATOM 305 O LYS A 25 2.542 -5.354 -4.894 1.00 0.00 O ATOM 306 CB LYS A 25 5.423 -5.024 -3.795 1.00 0.00 C ATOM 307 CG LYS A 25 6.532 -5.407 -2.831 1.00 0.00 C ATOM 308 CD LYS A 25 7.652 -6.151 -3.537 1.00 0.00 C ATOM 309 CE LYS A 25 8.683 -6.675 -2.549 1.00 0.00 C ATOM 310 NZ LYS A 25 8.288 -7.994 -1.982 1.00 0.00 N ATOM 0 H LYS A 25 3.192 -6.712 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 25 4.139 -3.985 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.327 -5.802 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.704 -4.107 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.931 -4.509 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.124 -6.031 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.236 -6.983 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.137 -5.487 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.648 -6.768 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.809 -5.955 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.016 -8.317 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.379 -7.900 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.192 -8.688 -2.751 1.00 0.00 H new ATOM 324 N GLY A 26 2.638 -3.206 -4.235 1.00 0.00 N ATOM 325 CA GLY A 26 1.640 -2.775 -5.197 1.00 0.00 C ATOM 326 C GLY A 26 1.693 -1.284 -5.460 1.00 0.00 C ATOM 327 O GLY A 26 2.739 -0.653 -5.300 1.00 0.00 O ATOM 0 H GLY A 26 3.011 -2.464 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.788 -3.311 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.648 -3.041 -4.831 1.00 0.00 H new ATOM 331 N THR A 27 0.562 -0.715 -5.867 1.00 0.00 N ATOM 332 CA THR A 27 0.484 0.711 -6.156 1.00 0.00 C ATOM 333 C THR A 27 -0.907 1.258 -5.856 1.00 0.00 C ATOM 334 O THR A 27 -1.912 0.691 -6.282 1.00 0.00 O ATOM 335 CB THR A 27 0.834 1.007 -7.626 1.00 0.00 C ATOM 336 OG1 THR A 27 2.155 0.539 -7.919 1.00 0.00 O ATOM 337 CG2 THR A 27 0.742 2.498 -7.915 1.00 0.00 C ATOM 0 H THR A 27 -0.313 -1.221 -6.004 1.00 0.00 H new ATOM 0 HA THR A 27 1.212 1.204 -5.511 1.00 0.00 H new ATOM 0 HB THR A 27 0.116 0.486 -8.259 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.369 0.730 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.994 2.682 -8.959 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.273 2.845 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.439 3.037 -7.273 1.00 0.00 H new ATOM 345 N LEU A 28 -0.957 2.363 -5.121 1.00 0.00 N ATOM 346 CA LEU A 28 -2.227 2.987 -4.764 1.00 0.00 C ATOM 347 C LEU A 28 -2.628 4.033 -5.799 1.00 0.00 C ATOM 348 O LEU A 28 -1.808 4.843 -6.230 1.00 0.00 O ATOM 349 CB LEU A 28 -2.130 3.633 -3.380 1.00 0.00 C ATOM 350 CG LEU A 28 -3.280 4.575 -3.024 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.404 3.811 -2.342 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.786 5.706 -2.134 1.00 0.00 C ATOM 0 H LEU A 28 -0.134 2.846 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.992 2.211 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.082 2.844 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.194 4.188 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.669 5.007 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.214 4.498 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.776 3.036 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.029 3.350 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.618 6.367 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.371 5.291 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.015 6.271 -2.658 1.00 0.00 H new ATOM 364 N PHE A 29 -3.897 4.009 -6.195 1.00 0.00 N ATOM 365 CA PHE A 29 -4.408 4.954 -7.181 1.00 0.00 C ATOM 366 C PHE A 29 -5.396 5.925 -6.541 1.00 0.00 C ATOM 367 O PHE A 29 -6.551 5.579 -6.294 1.00 0.00 O ATOM 368 CB PHE A 29 -5.084 4.206 -8.332 1.00 0.00 C ATOM 369 CG PHE A 29 -4.126 3.417 -9.179 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.314 2.449 -8.610 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.038 3.644 -10.543 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.432 1.722 -9.387 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.157 2.920 -11.324 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.354 1.957 -10.746 1.00 0.00 C ATOM 0 H PHE A 29 -4.590 3.346 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.566 5.525 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.836 3.531 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.608 4.924 -8.963 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.371 2.261 -7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.665 4.395 -11.001 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.804 0.970 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.097 3.107 -12.386 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.666 1.389 -11.355 1.00 0.00 H new ATOM 384 N GLN A 30 -4.932 7.142 -6.277 1.00 0.00 N ATOM 385 CA GLN A 30 -5.774 8.164 -5.665 1.00 0.00 C ATOM 386 C GLN A 30 -7.172 8.154 -6.275 1.00 0.00 C ATOM 387 O GLN A 30 -8.172 8.179 -5.557 1.00 0.00 O ATOM 388 CB GLN A 30 -5.141 9.546 -5.836 1.00 0.00 C ATOM 389 CG GLN A 30 -3.622 9.528 -5.793 1.00 0.00 C ATOM 390 CD GLN A 30 -3.030 10.892 -5.496 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.994 11.768 -6.361 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.563 11.080 -4.267 1.00 0.00 N ATOM 0 H GLN A 30 -3.979 7.445 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.859 7.940 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.464 9.970 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.511 10.206 -5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.292 8.820 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.240 9.171 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.613 10.326 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.154 11.978 -4.009 1.00 0.00 H new ATOM 401 N GLU A 31 -7.234 8.117 -7.602 1.00 0.00 N ATOM 402 CA GLU A 31 -8.510 8.104 -8.307 1.00 0.00 C ATOM 403 C GLU A 31 -9.399 6.970 -7.804 1.00 0.00 C ATOM 404 O GLU A 31 -10.618 7.114 -7.713 1.00 0.00 O ATOM 405 CB GLU A 31 -8.285 7.960 -9.813 1.00 0.00 C ATOM 406 CG GLU A 31 -7.505 6.714 -10.196 1.00 0.00 C ATOM 407 CD GLU A 31 -6.011 6.959 -10.267 1.00 0.00 C ATOM 408 OE1 GLU A 31 -5.380 7.095 -9.198 1.00 0.00 O ATOM 409 OE2 GLU A 31 -5.472 7.015 -11.392 1.00 0.00 O ATOM 0 H GLU A 31 -6.416 8.096 -8.210 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.013 9.051 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.252 7.942 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.752 8.838 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.706 5.927 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.856 6.353 -11.163 1.00 0.00 H new ATOM 416 N LYS A 32 -8.779 5.841 -7.478 1.00 0.00 N ATOM 417 CA LYS A 32 -9.510 4.681 -6.983 1.00 0.00 C ATOM 418 C LYS A 32 -9.667 4.743 -5.467 1.00 0.00 C ATOM 419 O LYS A 32 -10.465 4.008 -4.886 1.00 0.00 O ATOM 420 CB LYS A 32 -8.790 3.390 -7.380 1.00 0.00 C ATOM 421 CG LYS A 32 -9.160 2.888 -8.765 1.00 0.00 C ATOM 422 CD LYS A 32 -8.013 2.125 -9.406 1.00 0.00 C ATOM 423 CE LYS A 32 -8.294 1.822 -10.870 1.00 0.00 C ATOM 424 NZ LYS A 32 -8.046 3.006 -11.738 1.00 0.00 N ATOM 0 H LYS A 32 -7.771 5.705 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.502 4.689 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.714 3.557 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.021 2.616 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.035 2.242 -8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.435 3.732 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.096 2.708 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.848 1.193 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.665 0.994 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.329 1.500 -10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.249 2.759 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.664 3.789 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.052 3.298 -11.651 1.00 0.00 H new ATOM 438 N LEU A 33 -8.903 5.625 -4.833 1.00 0.00 N ATOM 439 CA LEU A 33 -8.958 5.784 -3.385 1.00 0.00 C ATOM 440 C LEU A 33 -10.018 6.807 -2.990 1.00 0.00 C ATOM 441 O LEU A 33 -10.636 6.700 -1.930 1.00 0.00 O ATOM 442 CB LEU A 33 -7.592 6.213 -2.845 1.00 0.00 C ATOM 443 CG LEU A 33 -7.430 6.102 -1.329 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.338 4.644 -0.907 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.202 6.871 -0.867 1.00 0.00 C ATOM 0 H LEU A 33 -8.238 6.241 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.227 4.822 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.823 5.606 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.411 7.247 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.308 6.541 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.223 4.585 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.247 4.121 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.478 4.179 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.102 6.781 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.314 6.462 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.309 7.922 -1.135 1.00 0.00 H new ATOM 457 N LYS A 34 -10.223 7.799 -3.849 1.00 0.00 N ATOM 458 CA LYS A 34 -11.209 8.843 -3.592 1.00 0.00 C ATOM 459 C LYS A 34 -12.568 8.237 -3.257 1.00 0.00 C ATOM 460 O LYS A 34 -13.176 8.578 -2.243 1.00 0.00 O ATOM 461 CB LYS A 34 -11.335 9.764 -4.808 1.00 0.00 C ATOM 462 CG LYS A 34 -10.131 10.666 -5.015 1.00 0.00 C ATOM 463 CD LYS A 34 -10.289 11.532 -6.253 1.00 0.00 C ATOM 464 CE LYS A 34 -10.972 12.852 -5.927 1.00 0.00 C ATOM 465 NZ LYS A 34 -11.586 13.472 -7.133 1.00 0.00 N ATOM 0 H LYS A 34 -9.719 7.903 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.870 9.426 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.480 9.156 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.226 10.382 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.997 11.302 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.231 10.058 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.309 11.726 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.871 10.995 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.741 12.686 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.245 13.540 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.041 14.369 -6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.849 13.654 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.298 12.827 -7.531 1.00 0.00 H new ATOM 479 N GLN A 35 -13.037 7.336 -4.115 1.00 0.00 N ATOM 480 CA GLN A 35 -14.324 6.683 -3.908 1.00 0.00 C ATOM 481 C GLN A 35 -14.438 6.142 -2.487 1.00 0.00 C ATOM 482 O GLN A 35 -15.456 6.326 -1.821 1.00 0.00 O ATOM 483 CB GLN A 35 -14.511 5.547 -4.915 1.00 0.00 C ATOM 484 CG GLN A 35 -14.402 5.994 -6.364 1.00 0.00 C ATOM 485 CD GLN A 35 -15.253 5.158 -7.299 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.891 5.682 -8.213 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.269 3.849 -7.074 1.00 0.00 N ATOM 0 H GLN A 35 -12.545 7.042 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.108 7.425 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.764 4.777 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.488 5.090 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.703 7.039 -6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.360 5.938 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.725 3.457 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.825 3.236 -7.670 1.00 0.00 H new ATOM 496 N GLY A 36 -13.385 5.473 -2.027 1.00 0.00 N ATOM 497 CA GLY A 36 -13.387 4.915 -0.687 1.00 0.00 C ATOM 498 C GLY A 36 -12.196 4.012 -0.433 1.00 0.00 C ATOM 499 O GLY A 36 -11.631 3.442 -1.366 1.00 0.00 O ATOM 0 H GLY A 36 -12.530 5.307 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.386 5.726 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.307 4.350 -0.533 1.00 0.00 H new ATOM 503 N ALA A 37 -11.814 3.882 0.833 1.00 0.00 N ATOM 504 CA ALA A 37 -10.683 3.042 1.207 1.00 0.00 C ATOM 505 C ALA A 37 -11.088 1.573 1.271 1.00 0.00 C ATOM 506 O ALA A 37 -10.363 0.744 1.821 1.00 0.00 O ATOM 507 CB ALA A 37 -10.110 3.493 2.543 1.00 0.00 C ATOM 0 H ALA A 37 -12.271 4.348 1.617 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.915 3.147 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.266 2.857 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.775 4.527 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.878 3.418 3.312 1.00 0.00 H new ATOM 513 N SER A 38 -12.250 1.259 0.707 1.00 0.00 N ATOM 514 CA SER A 38 -12.753 -0.109 0.705 1.00 0.00 C ATOM 515 C SER A 38 -12.619 -0.735 -0.680 1.00 0.00 C ATOM 516 O SER A 38 -12.471 -1.950 -0.815 1.00 0.00 O ATOM 517 CB SER A 38 -14.216 -0.138 1.150 1.00 0.00 C ATOM 518 OG SER A 38 -14.319 -0.157 2.563 1.00 0.00 O ATOM 0 H SER A 38 -12.860 1.934 0.246 1.00 0.00 H new ATOM 0 HA SER A 38 -12.155 -0.690 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.737 0.735 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.708 -1.017 0.735 1.00 0.00 H new ATOM 0 HG SER A 38 -15.264 -0.174 2.822 1.00 0.00 H new ATOM 524 N LYS A 39 -12.672 0.105 -1.709 1.00 0.00 N ATOM 525 CA LYS A 39 -12.556 -0.363 -3.085 1.00 0.00 C ATOM 526 C LYS A 39 -11.110 -0.714 -3.420 1.00 0.00 C ATOM 527 O LYS A 39 -10.175 -0.113 -2.890 1.00 0.00 O ATOM 528 CB LYS A 39 -13.070 0.705 -4.054 1.00 0.00 C ATOM 529 CG LYS A 39 -14.570 0.929 -3.971 1.00 0.00 C ATOM 530 CD LYS A 39 -14.937 1.812 -2.790 1.00 0.00 C ATOM 531 CE LYS A 39 -16.429 2.109 -2.759 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.189 1.053 -2.034 1.00 0.00 N ATOM 0 H LYS A 39 -12.795 1.113 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.163 -1.262 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.559 1.646 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.810 0.415 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.922 1.390 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.078 -0.031 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.643 1.321 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.380 2.747 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.598 3.073 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.804 2.191 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.201 1.291 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.049 0.138 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.848 0.992 -1.053 1.00 0.00 H new ATOM 546 N LYS A 40 -10.932 -1.690 -4.305 1.00 0.00 N ATOM 547 CA LYS A 40 -9.600 -2.120 -4.713 1.00 0.00 C ATOM 548 C LYS A 40 -8.844 -0.980 -5.389 1.00 0.00 C ATOM 549 O LYS A 40 -9.130 -0.626 -6.534 1.00 0.00 O ATOM 550 CB LYS A 40 -9.697 -3.316 -5.663 1.00 0.00 C ATOM 551 CG LYS A 40 -10.612 -4.419 -5.160 1.00 0.00 C ATOM 552 CD LYS A 40 -9.847 -5.453 -4.351 1.00 0.00 C ATOM 553 CE LYS A 40 -10.677 -6.706 -4.120 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.481 -7.708 -5.204 1.00 0.00 N ATOM 0 H LYS A 40 -11.694 -2.198 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.051 -2.417 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.056 -2.971 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.700 -3.726 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.401 -3.986 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.097 -4.905 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.927 -5.716 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.558 -5.025 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.406 -7.150 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.732 -6.437 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.064 -8.547 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.763 -7.293 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.479 -7.984 -5.245 1.00 0.00 H new ATOM 568 N CYS A 41 -7.879 -0.411 -4.675 1.00 0.00 N ATOM 569 CA CYS A 41 -7.081 0.688 -5.207 1.00 0.00 C ATOM 570 C CYS A 41 -5.610 0.298 -5.297 1.00 0.00 C ATOM 571 O CYS A 41 -4.871 0.813 -6.137 1.00 0.00 O ATOM 572 CB CYS A 41 -7.240 1.931 -4.330 1.00 0.00 C ATOM 573 SG CYS A 41 -6.849 1.659 -2.586 1.00 0.00 S ATOM 0 H CYS A 41 -7.630 -0.692 -3.727 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.440 0.913 -6.211 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.595 2.720 -4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.266 2.290 -4.410 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.895 1.922 -1.861 1.00 0.00 H new ATOM 579 N ILE A 42 -5.190 -0.613 -4.425 1.00 0.00 N ATOM 580 CA ILE A 42 -3.807 -1.071 -4.406 1.00 0.00 C ATOM 581 C ILE A 42 -3.587 -2.199 -5.408 1.00 0.00 C ATOM 582 O ILE A 42 -4.131 -3.292 -5.256 1.00 0.00 O ATOM 583 CB ILE A 42 -3.394 -1.558 -3.004 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.457 -0.404 -2.000 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.997 -2.159 -3.041 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.333 -0.849 -0.560 1.00 0.00 C ATOM 0 H ILE A 42 -5.788 -1.048 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.189 -0.217 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.092 -2.332 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.659 0.305 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.400 0.127 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.720 -2.498 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.983 -3.005 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.285 -1.405 -3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.386 0.020 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.146 -1.535 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.378 -1.354 -0.416 1.00 0.00 H new ATOM 598 N GLN A 43 -2.784 -1.925 -6.431 1.00 0.00 N ATOM 599 CA GLN A 43 -2.491 -2.918 -7.459 1.00 0.00 C ATOM 600 C GLN A 43 -1.140 -3.578 -7.208 1.00 0.00 C ATOM 601 O GLN A 43 -0.112 -2.905 -7.140 1.00 0.00 O ATOM 602 CB GLN A 43 -2.506 -2.269 -8.844 1.00 0.00 C ATOM 603 CG GLN A 43 -2.894 -3.226 -9.960 1.00 0.00 C ATOM 604 CD GLN A 43 -2.712 -2.620 -11.337 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.818 -1.801 -11.555 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.561 -3.019 -12.277 1.00 0.00 N ATOM 0 H GLN A 43 -2.325 -1.025 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.263 -3.686 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.203 -1.431 -8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.518 -1.859 -9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.292 -4.131 -9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.935 -3.524 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.287 -3.700 -12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.487 -2.645 -13.223 1.00 0.00 H new ATOM 615 N ASN A 44 -1.149 -4.900 -7.070 1.00 0.00 N ATOM 616 CA ASN A 44 0.077 -5.652 -6.826 1.00 0.00 C ATOM 617 C ASN A 44 0.906 -5.769 -8.101 1.00 0.00 C ATOM 618 O ASN A 44 0.456 -5.391 -9.182 1.00 0.00 O ATOM 619 CB ASN A 44 -0.254 -7.046 -6.289 1.00 0.00 C ATOM 620 CG ASN A 44 -0.941 -7.916 -7.323 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.195 -7.481 -8.447 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.245 -9.153 -6.948 1.00 0.00 N ATOM 0 H ASN A 44 -1.991 -5.473 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 44 0.663 -5.113 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.664 -7.533 -5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.896 -6.952 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.708 -9.785 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.016 -9.471 -6.006 1.00 0.00 H new ATOM 629 N GLU A 45 2.119 -6.296 -7.965 1.00 0.00 N ATOM 630 CA GLU A 45 3.011 -6.463 -9.107 1.00 0.00 C ATOM 631 C GLU A 45 2.357 -7.318 -10.188 1.00 0.00 C ATOM 632 O GLU A 45 2.689 -7.207 -11.368 1.00 0.00 O ATOM 633 CB GLU A 45 4.329 -7.102 -8.663 1.00 0.00 C ATOM 634 CG GLU A 45 5.036 -6.335 -7.558 1.00 0.00 C ATOM 635 CD GLU A 45 6.543 -6.486 -7.616 1.00 0.00 C ATOM 636 OE1 GLU A 45 7.069 -7.433 -6.994 1.00 0.00 O ATOM 637 OE2 GLU A 45 7.198 -5.657 -8.283 1.00 0.00 O ATOM 0 H GLU A 45 2.506 -6.614 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 45 3.216 -5.477 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.133 -8.118 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.994 -7.178 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.777 -5.279 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.676 -6.685 -6.590 1.00 0.00 H new ATOM 644 N ALA A 46 1.425 -8.172 -9.776 1.00 0.00 N ATOM 645 CA ALA A 46 0.723 -9.045 -10.708 1.00 0.00 C ATOM 646 C ALA A 46 -0.379 -8.290 -11.444 1.00 0.00 C ATOM 647 O ALA A 46 -0.949 -8.791 -12.412 1.00 0.00 O ATOM 648 CB ALA A 46 0.143 -10.245 -9.973 1.00 0.00 C ATOM 0 H ALA A 46 1.139 -8.277 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 46 1.442 -9.398 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.379 -10.888 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.949 -10.806 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.557 -9.902 -9.211 1.00 0.00 H new ATOM 654 N GLY A 47 -0.675 -7.080 -10.977 1.00 0.00 N ATOM 655 CA GLY A 47 -1.708 -6.276 -11.602 1.00 0.00 C ATOM 656 C GLY A 47 -3.038 -6.380 -10.883 1.00 0.00 C ATOM 657 O GLY A 47 -3.898 -5.510 -11.024 1.00 0.00 O ATOM 0 H GLY A 47 -0.217 -6.643 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.390 -5.234 -11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.833 -6.592 -12.638 1.00 0.00 H new ATOM 661 N ASP A 48 -3.209 -7.447 -10.110 1.00 0.00 N ATOM 662 CA ASP A 48 -4.445 -7.661 -9.366 1.00 0.00 C ATOM 663 C ASP A 48 -4.628 -6.590 -8.296 1.00 0.00 C ATOM 664 O ASP A 48 -3.759 -6.392 -7.446 1.00 0.00 O ATOM 665 CB ASP A 48 -4.442 -9.048 -8.721 1.00 0.00 C ATOM 666 CG ASP A 48 -4.615 -10.160 -9.737 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.738 -10.315 -10.261 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.628 -10.876 -10.007 1.00 0.00 O ATOM 0 H ASP A 48 -2.508 -8.177 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.278 -7.595 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.505 -9.193 -8.184 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.244 -9.105 -7.985 1.00 0.00 H new ATOM 673 N TRP A 49 -5.762 -5.900 -8.345 1.00 0.00 N ATOM 674 CA TRP A 49 -6.058 -4.847 -7.380 1.00 0.00 C ATOM 675 C TRP A 49 -6.446 -5.440 -6.029 1.00 0.00 C ATOM 676 O TRP A 49 -6.924 -6.571 -5.951 1.00 0.00 O ATOM 677 CB TRP A 49 -7.184 -3.952 -7.900 1.00 0.00 C ATOM 678 CG TRP A 49 -6.863 -3.293 -9.207 1.00 0.00 C ATOM 679 CD1 TRP A 49 -6.959 -3.848 -10.451 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.391 -1.955 -9.399 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.576 -2.936 -11.404 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.224 -1.766 -10.785 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.096 -0.897 -8.535 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.774 -0.564 -11.323 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.650 0.296 -9.071 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.492 0.455 -10.454 1.00 0.00 C ATOM 0 H TRP A 49 -6.491 -6.051 -9.042 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.158 -4.247 -7.247 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.089 -4.549 -8.015 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.400 -3.184 -7.157 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.288 -4.856 -10.656 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.557 -3.103 -12.410 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.214 -1.010 -7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.652 -0.440 -12.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.419 1.120 -8.412 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.141 1.400 -10.842 1.00 0.00 H new ATOM 697 N LEU A 50 -6.238 -4.668 -4.968 1.00 0.00 N ATOM 698 CA LEU A 50 -6.567 -5.117 -3.620 1.00 0.00 C ATOM 699 C LEU A 50 -7.071 -3.957 -2.768 1.00 0.00 C ATOM 700 O LEU A 50 -6.578 -2.833 -2.873 1.00 0.00 O ATOM 701 CB LEU A 50 -5.342 -5.756 -2.960 1.00 0.00 C ATOM 702 CG LEU A 50 -4.740 -6.937 -3.721 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.263 -7.088 -3.391 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.494 -8.218 -3.399 1.00 0.00 C ATOM 0 H LEU A 50 -5.843 -3.729 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.361 -5.860 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.574 -4.992 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.620 -6.091 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.834 -6.742 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.852 -7.934 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.732 -6.179 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.145 -7.260 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.052 -9.049 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.432 -8.418 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.539 -8.107 -3.687 1.00 0.00 H new ATOM 716 N THR A 51 -8.058 -4.237 -1.922 1.00 0.00 N ATOM 717 CA THR A 51 -8.631 -3.218 -1.052 1.00 0.00 C ATOM 718 C THR A 51 -7.670 -2.851 0.073 1.00 0.00 C ATOM 719 O THR A 51 -6.931 -3.700 0.573 1.00 0.00 O ATOM 720 CB THR A 51 -9.965 -3.687 -0.440 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.722 -4.690 0.552 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.888 -4.241 -1.515 1.00 0.00 C ATOM 0 H THR A 51 -8.477 -5.162 -1.821 1.00 0.00 H new ATOM 0 HA THR A 51 -8.813 -2.340 -1.672 1.00 0.00 H new ATOM 0 HB THR A 51 -10.449 -2.828 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.574 -4.982 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.823 -4.566 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.094 -3.466 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.409 -5.089 -2.004 1.00 0.00 H new ATOM 730 N VAL A 52 -7.685 -1.582 0.468 1.00 0.00 N ATOM 731 CA VAL A 52 -6.815 -1.104 1.537 1.00 0.00 C ATOM 732 C VAL A 52 -6.596 -2.182 2.592 1.00 0.00 C ATOM 733 O VAL A 52 -5.502 -2.317 3.140 1.00 0.00 O ATOM 734 CB VAL A 52 -7.397 0.151 2.214 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.494 0.613 3.348 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.598 1.262 1.195 1.00 0.00 C ATOM 0 H VAL A 52 -8.290 -0.866 0.064 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.859 -0.851 1.078 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.369 -0.103 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.921 1.501 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.407 -0.181 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.506 0.850 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.010 2.141 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.640 1.517 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.288 0.926 0.421 1.00 0.00 H new ATOM 746 N LYS A 53 -7.644 -2.950 2.871 1.00 0.00 N ATOM 747 CA LYS A 53 -7.568 -4.019 3.860 1.00 0.00 C ATOM 748 C LYS A 53 -6.873 -5.247 3.280 1.00 0.00 C ATOM 749 O LYS A 53 -5.965 -5.805 3.895 1.00 0.00 O ATOM 750 CB LYS A 53 -8.970 -4.395 4.344 1.00 0.00 C ATOM 751 CG LYS A 53 -9.471 -3.529 5.487 1.00 0.00 C ATOM 752 CD LYS A 53 -10.647 -4.174 6.201 1.00 0.00 C ATOM 753 CE LYS A 53 -11.504 -3.138 6.912 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.995 -2.842 8.280 1.00 0.00 N ATOM 0 H LYS A 53 -8.556 -2.852 2.426 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.983 -3.657 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.666 -4.318 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.968 -5.437 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.662 -3.359 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.768 -2.553 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.257 -4.719 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.280 -4.902 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.525 -2.219 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.531 -3.498 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.606 -2.132 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.999 -3.713 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.024 -2.474 8.217 1.00 0.00 H new ATOM 768 N GLU A 54 -7.305 -5.661 2.093 1.00 0.00 N ATOM 769 CA GLU A 54 -6.722 -6.823 1.431 1.00 0.00 C ATOM 770 C GLU A 54 -5.200 -6.722 1.396 1.00 0.00 C ATOM 771 O GLU A 54 -4.498 -7.555 1.970 1.00 0.00 O ATOM 772 CB GLU A 54 -7.269 -6.954 0.008 1.00 0.00 C ATOM 773 CG GLU A 54 -8.609 -7.666 -0.066 1.00 0.00 C ATOM 774 CD GLU A 54 -8.465 -9.166 -0.230 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.270 -9.858 0.791 1.00 0.00 O ATOM 776 OE2 GLU A 54 -8.547 -9.649 -1.379 1.00 0.00 O ATOM 0 H GLU A 54 -8.056 -5.210 1.570 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.997 -7.711 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.371 -5.959 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.546 -7.495 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.178 -7.456 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.183 -7.266 -0.902 1.00 0.00 H new ATOM 783 N PHE A 55 -4.696 -5.696 0.718 1.00 0.00 N ATOM 784 CA PHE A 55 -3.258 -5.487 0.605 1.00 0.00 C ATOM 785 C PHE A 55 -2.544 -5.913 1.885 1.00 0.00 C ATOM 786 O PHE A 55 -1.508 -6.574 1.840 1.00 0.00 O ATOM 787 CB PHE A 55 -2.957 -4.017 0.305 1.00 0.00 C ATOM 788 CG PHE A 55 -1.517 -3.756 -0.032 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.912 -4.406 -1.096 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.767 -2.862 0.716 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.413 -4.168 -1.409 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.558 -2.620 0.407 1.00 0.00 C ATOM 793 CZ PHE A 55 1.149 -3.275 -0.656 1.00 0.00 C ATOM 0 H PHE A 55 -5.263 -4.996 0.239 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.890 -6.101 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.581 -3.689 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.234 -3.414 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.483 -5.107 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.223 -2.349 1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.872 -4.680 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.131 -1.919 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.185 -3.089 -0.898 1.00 0.00 H new ATOM 803 N LEU A 56 -3.107 -5.527 3.025 1.00 0.00 N ATOM 804 CA LEU A 56 -2.526 -5.868 4.319 1.00 0.00 C ATOM 805 C LEU A 56 -2.465 -7.380 4.507 1.00 0.00 C ATOM 806 O LEU A 56 -1.410 -7.937 4.807 1.00 0.00 O ATOM 807 CB LEU A 56 -3.339 -5.233 5.449 1.00 0.00 C ATOM 808 CG LEU A 56 -3.677 -3.755 5.253 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.613 -3.270 6.349 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.408 -2.918 5.225 1.00 0.00 C ATOM 0 H LEU A 56 -3.965 -4.978 3.079 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.509 -5.476 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.269 -5.790 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.784 -5.342 6.381 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.185 -3.643 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.842 -2.216 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.536 -3.850 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.133 -3.396 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.667 -1.869 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.873 -3.037 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.773 -3.248 4.403 1.00 0.00 H new ATOM 822 N ASN A 57 -3.606 -8.039 4.328 1.00 0.00 N ATOM 823 CA ASN A 57 -3.683 -9.487 4.479 1.00 0.00 C ATOM 824 C ASN A 57 -2.605 -10.179 3.650 1.00 0.00 C ATOM 825 O ASN A 57 -2.001 -11.155 4.092 1.00 0.00 O ATOM 826 CB ASN A 57 -5.066 -9.991 4.060 1.00 0.00 C ATOM 827 CG ASN A 57 -6.075 -9.918 5.190 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.252 -10.876 5.942 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.742 -8.777 5.314 1.00 0.00 N ATOM 0 H ASN A 57 -4.489 -7.593 4.078 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.518 -9.727 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.425 -9.400 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.985 -11.022 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.434 -8.669 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.563 -8.009 4.668 1.00 0.00 H new ATOM 836 N GLU A 58 -2.370 -9.664 2.447 1.00 0.00 N ATOM 837 CA GLU A 58 -1.365 -10.233 1.557 1.00 0.00 C ATOM 838 C GLU A 58 -0.015 -10.345 2.261 1.00 0.00 C ATOM 839 O GLU A 58 0.714 -11.318 2.077 1.00 0.00 O ATOM 840 CB GLU A 58 -1.225 -9.378 0.296 1.00 0.00 C ATOM 841 CG GLU A 58 -2.151 -9.801 -0.832 1.00 0.00 C ATOM 842 CD GLU A 58 -2.027 -11.275 -1.166 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.886 -11.783 -1.195 1.00 0.00 O ATOM 844 OE2 GLU A 58 -3.070 -11.921 -1.398 1.00 0.00 O ATOM 0 H GLU A 58 -2.861 -8.855 2.067 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.692 -11.234 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.426 -8.337 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.194 -9.428 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.181 -9.581 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.928 -9.211 -1.721 1.00 0.00 H new ATOM 851 N GLY A 59 0.310 -9.339 3.068 1.00 0.00 N ATOM 852 CA GLY A 59 1.570 -9.343 3.787 1.00 0.00 C ATOM 853 C GLY A 59 1.484 -10.087 5.105 1.00 0.00 C ATOM 854 O GLY A 59 2.418 -10.787 5.493 1.00 0.00 O ATOM 0 H GLY A 59 -0.277 -8.522 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.338 -9.801 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.882 -8.315 3.973 1.00 0.00 H new ATOM 858 N GLY A 60 0.359 -9.934 5.797 1.00 0.00 N ATOM 859 CA GLY A 60 0.176 -10.601 7.072 1.00 0.00 C ATOM 860 C GLY A 60 0.029 -9.624 8.222 1.00 0.00 C ATOM 861 O GLY A 60 0.377 -9.938 9.360 1.00 0.00 O ATOM 0 H GLY A 60 -0.429 -9.360 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.709 -11.235 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.027 -11.255 7.262 1.00 0.00 H new ATOM 865 N ARG A 61 -0.486 -8.436 7.925 1.00 0.00 N ATOM 866 CA ARG A 61 -0.674 -7.409 8.942 1.00 0.00 C ATOM 867 C ARG A 61 -2.153 -7.065 9.100 1.00 0.00 C ATOM 868 O ARG A 61 -2.502 -6.033 9.671 1.00 0.00 O ATOM 869 CB ARG A 61 0.117 -6.150 8.580 1.00 0.00 C ATOM 870 CG ARG A 61 1.578 -6.209 8.995 1.00 0.00 C ATOM 871 CD ARG A 61 2.120 -4.826 9.319 1.00 0.00 C ATOM 872 NE ARG A 61 1.944 -4.484 10.728 1.00 0.00 N ATOM 873 CZ ARG A 61 2.791 -4.849 11.685 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.868 -5.562 11.384 1.00 0.00 N ATOM 875 NH2 ARG A 61 2.562 -4.500 12.944 1.00 0.00 N ATOM 0 H ARG A 61 -0.781 -8.161 6.988 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.306 -7.801 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.060 -5.992 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.352 -5.288 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.684 -6.856 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.168 -6.654 8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.179 -4.784 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.614 -4.085 8.700 1.00 0.00 H new ATOM 0 HE ARG A 61 1.126 -3.935 10.992 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.047 -5.831 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.517 -5.841 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.735 -3.951 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.213 -4.781 13.677 1.00 0.00 H new ATOM 889 N ALA A 62 -3.015 -7.938 8.590 1.00 0.00 N ATOM 890 CA ALA A 62 -4.455 -7.728 8.676 1.00 0.00 C ATOM 891 C ALA A 62 -4.858 -7.250 10.066 1.00 0.00 C ATOM 892 O ALA A 62 -5.689 -6.352 10.210 1.00 0.00 O ATOM 893 CB ALA A 62 -5.197 -9.007 8.319 1.00 0.00 C ATOM 0 H ALA A 62 -2.741 -8.797 8.113 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.727 -6.952 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.271 -8.836 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.941 -9.304 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.911 -9.799 9.011 1.00 0.00 H new ATOM 899 N THR A 63 -4.266 -7.857 11.090 1.00 0.00 N ATOM 900 CA THR A 63 -4.565 -7.495 12.470 1.00 0.00 C ATOM 901 C THR A 63 -4.529 -5.983 12.662 1.00 0.00 C ATOM 902 O THR A 63 -5.376 -5.415 13.351 1.00 0.00 O ATOM 903 CB THR A 63 -3.573 -8.149 13.450 1.00 0.00 C ATOM 904 OG1 THR A 63 -2.228 -7.848 13.060 1.00 0.00 O ATOM 905 CG2 THR A 63 -3.768 -9.657 13.492 1.00 0.00 C ATOM 0 H THR A 63 -3.576 -8.602 10.989 1.00 0.00 H new ATOM 0 HA THR A 63 -5.569 -7.862 12.682 1.00 0.00 H new ATOM 0 HB THR A 63 -3.761 -7.746 14.445 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.604 -8.266 13.689 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.056 -10.097 14.191 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.783 -9.884 13.817 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.604 -10.073 12.498 1.00 0.00 H new ATOM 913 N SER A 64 -3.544 -5.336 12.047 1.00 0.00 N ATOM 914 CA SER A 64 -3.396 -3.890 12.153 1.00 0.00 C ATOM 915 C SER A 64 -4.672 -3.179 11.713 1.00 0.00 C ATOM 916 O SER A 64 -5.394 -3.659 10.837 1.00 0.00 O ATOM 917 CB SER A 64 -2.215 -3.413 11.306 1.00 0.00 C ATOM 918 OG SER A 64 -1.620 -2.255 11.866 1.00 0.00 O ATOM 0 H SER A 64 -2.837 -5.791 11.470 1.00 0.00 H new ATOM 0 HA SER A 64 -3.207 -3.645 13.198 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.472 -4.207 11.232 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.554 -3.198 10.293 1.00 0.00 H new ATOM 0 HG SER A 64 -0.682 -2.441 12.081 1.00 0.00 H new ATOM 924 N LYS A 65 -4.946 -2.033 12.326 1.00 0.00 N ATOM 925 CA LYS A 65 -6.134 -1.253 11.998 1.00 0.00 C ATOM 926 C LYS A 65 -5.796 -0.132 11.021 1.00 0.00 C ATOM 927 O LYS A 65 -6.463 0.037 10.000 1.00 0.00 O ATOM 928 CB LYS A 65 -6.752 -0.668 13.270 1.00 0.00 C ATOM 929 CG LYS A 65 -8.200 -0.244 13.103 1.00 0.00 C ATOM 930 CD LYS A 65 -9.144 -1.430 13.210 1.00 0.00 C ATOM 931 CE LYS A 65 -9.514 -1.719 14.657 1.00 0.00 C ATOM 932 NZ LYS A 65 -10.019 -3.109 14.833 1.00 0.00 N ATOM 0 H LYS A 65 -4.361 -1.623 13.054 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.856 -1.918 11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.689 -1.408 14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.164 0.194 13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.454 0.494 13.864 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.329 0.239 12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.048 -1.230 12.635 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.675 -2.310 12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.642 -1.566 15.292 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.275 -1.012 14.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.260 -3.267 15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.866 -3.247 14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.283 -3.785 14.544 1.00 0.00 H new ATOM 946 N ASP A 66 -4.757 0.631 11.340 1.00 0.00 N ATOM 947 CA ASP A 66 -4.329 1.735 10.489 1.00 0.00 C ATOM 948 C ASP A 66 -3.539 1.222 9.289 1.00 0.00 C ATOM 949 O ASP A 66 -2.427 0.714 9.437 1.00 0.00 O ATOM 950 CB ASP A 66 -3.480 2.725 11.289 1.00 0.00 C ATOM 951 CG ASP A 66 -4.279 3.437 12.362 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.409 3.880 12.066 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.775 3.551 13.499 1.00 0.00 O ATOM 0 H ASP A 66 -4.195 0.505 12.182 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.220 2.245 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.648 2.195 11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.051 3.462 10.611 1.00 0.00 H new ATOM 958 N TRP A 67 -4.120 1.358 8.103 1.00 0.00 N ATOM 959 CA TRP A 67 -3.470 0.907 6.877 1.00 0.00 C ATOM 960 C TRP A 67 -2.364 1.870 6.461 1.00 0.00 C ATOM 961 O TRP A 67 -1.371 1.467 5.855 1.00 0.00 O ATOM 962 CB TRP A 67 -4.496 0.772 5.751 1.00 0.00 C ATOM 963 CG TRP A 67 -5.267 2.032 5.497 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.359 2.478 6.186 1.00 0.00 C ATOM 965 CD2 TRP A 67 -5.006 3.006 4.481 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.792 3.670 5.659 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.979 4.016 4.613 1.00 0.00 C ATOM 968 CE3 TRP A 67 -4.045 3.124 3.473 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.016 5.127 3.774 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.083 4.227 2.642 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.062 5.217 2.797 1.00 0.00 C ATOM 0 H TRP A 67 -5.040 1.777 7.963 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.023 -0.068 7.070 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.983 0.477 4.835 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.193 -0.029 5.998 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.815 1.968 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.590 4.210 5.993 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.286 2.366 3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.771 5.891 3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.345 4.328 1.860 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.064 6.068 2.132 1.00 0.00 H new ATOM 982 N LYS A 68 -2.540 3.145 6.791 1.00 0.00 N ATOM 983 CA LYS A 68 -1.556 4.167 6.453 1.00 0.00 C ATOM 984 C LYS A 68 -0.252 3.938 7.211 1.00 0.00 C ATOM 985 O LYS A 68 0.814 4.367 6.774 1.00 0.00 O ATOM 986 CB LYS A 68 -2.106 5.559 6.772 1.00 0.00 C ATOM 987 CG LYS A 68 -3.260 5.976 5.877 1.00 0.00 C ATOM 988 CD LYS A 68 -3.846 7.311 6.308 1.00 0.00 C ATOM 989 CE LYS A 68 -4.792 7.870 5.257 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.580 9.021 5.777 1.00 0.00 N ATOM 0 H LYS A 68 -3.356 3.496 7.293 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.351 4.100 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.436 5.581 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.302 6.289 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.915 6.045 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.036 5.211 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.379 7.188 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.040 8.022 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.220 8.186 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.471 7.085 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.213 9.374 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.145 8.714 6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.933 9.781 6.070 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.346 3.257 8.350 1.00 0.00 N ATOM 1005 CA GLY A 69 0.834 2.982 9.149 1.00 0.00 C ATOM 1006 C GLY A 69 1.572 1.742 8.685 1.00 0.00 C ATOM 1007 O GLY A 69 2.798 1.743 8.580 1.00 0.00 O ATOM 0 H GLY A 69 -1.218 2.891 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.506 3.839 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.542 2.859 10.192 1.00 0.00 H new ATOM 1011 N VAL A 70 0.823 0.679 8.409 1.00 0.00 N ATOM 1012 CA VAL A 70 1.414 -0.575 7.955 1.00 0.00 C ATOM 1013 C VAL A 70 2.012 -0.427 6.560 1.00 0.00 C ATOM 1014 O VAL A 70 3.125 -0.885 6.299 1.00 0.00 O ATOM 1015 CB VAL A 70 0.375 -1.711 7.938 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.084 -2.036 9.351 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.808 -1.338 7.057 1.00 0.00 C ATOM 0 H VAL A 70 -0.193 0.661 8.492 1.00 0.00 H new ATOM 0 HA VAL A 70 2.205 -0.827 8.662 1.00 0.00 H new ATOM 0 HB VAL A 70 0.843 -2.602 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.818 -2.841 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.772 -2.349 9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.535 -1.151 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.532 -2.152 7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.279 -0.434 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.462 -1.160 6.039 1.00 0.00 H new ATOM 1027 N ILE A 71 1.266 0.216 5.668 1.00 0.00 N ATOM 1028 CA ILE A 71 1.724 0.426 4.300 1.00 0.00 C ATOM 1029 C ILE A 71 2.808 1.496 4.240 1.00 0.00 C ATOM 1030 O ILE A 71 2.653 2.582 4.799 1.00 0.00 O ATOM 1031 CB ILE A 71 0.563 0.835 3.374 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.567 -0.193 3.453 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.054 0.982 1.942 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.811 0.216 2.695 1.00 0.00 C ATOM 0 H ILE A 71 0.343 0.600 5.868 1.00 0.00 H new ATOM 0 HA ILE A 71 2.135 -0.523 3.957 1.00 0.00 H new ATOM 0 HB ILE A 71 0.176 1.799 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.209 -1.145 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.826 -0.356 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.222 1.271 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.828 1.748 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.464 0.032 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.570 -0.560 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.194 1.152 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.567 0.351 1.641 1.00 0.00 H new ATOM 1046 N ARG A 72 3.905 1.183 3.558 1.00 0.00 N ATOM 1047 CA ARG A 72 5.015 2.119 3.425 1.00 0.00 C ATOM 1048 C ARG A 72 5.203 2.535 1.969 1.00 0.00 C ATOM 1049 O ARG A 72 5.082 1.715 1.058 1.00 0.00 O ATOM 1050 CB ARG A 72 6.304 1.493 3.959 1.00 0.00 C ATOM 1051 CG ARG A 72 6.195 1.003 5.393 1.00 0.00 C ATOM 1052 CD ARG A 72 7.545 1.024 6.094 1.00 0.00 C ATOM 1053 NE ARG A 72 7.428 0.720 7.517 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.422 -0.514 8.007 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.526 -1.555 7.192 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.312 -0.710 9.315 1.00 0.00 N ATOM 0 H ARG A 72 4.049 0.289 3.089 1.00 0.00 H new ATOM 0 HA ARG A 72 4.781 3.008 4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.584 0.657 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.108 2.227 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.490 1.629 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.795 -0.011 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.210 0.300 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.003 2.005 5.970 1.00 0.00 H new ATOM 0 HE ARG A 72 7.346 1.499 8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.611 -1.409 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.521 -2.502 7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.232 0.088 9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.308 -1.659 9.690 1.00 0.00 H new ATOM 1070 N CYS A 73 5.500 3.813 1.758 1.00 0.00 N ATOM 1071 CA CYS A 73 5.704 4.338 0.413 1.00 0.00 C ATOM 1072 C CYS A 73 7.098 4.940 0.270 1.00 0.00 C ATOM 1073 O CYS A 73 7.386 6.000 0.824 1.00 0.00 O ATOM 1074 CB CYS A 73 4.644 5.392 0.088 1.00 0.00 C ATOM 1075 SG CYS A 73 4.926 6.267 -1.468 1.00 0.00 S ATOM 0 H CYS A 73 5.605 4.504 2.501 1.00 0.00 H new ATOM 0 HA CYS A 73 5.611 3.511 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.667 4.910 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.609 6.119 0.900 1.00 0.00 H new ATOM 0 HG CYS A 73 4.600 5.498 -2.464 1.00 0.00 H new ATOM 1081 N ASN A 74 7.959 4.255 -0.475 1.00 0.00 N ATOM 1082 CA ASN A 74 9.324 4.722 -0.689 1.00 0.00 C ATOM 1083 C ASN A 74 10.090 4.784 0.629 1.00 0.00 C ATOM 1084 O ASN A 74 10.964 5.631 0.811 1.00 0.00 O ATOM 1085 CB ASN A 74 9.316 6.100 -1.354 1.00 0.00 C ATOM 1086 CG ASN A 74 8.836 6.046 -2.791 1.00 0.00 C ATOM 1087 OD1 ASN A 74 9.151 5.112 -3.528 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.068 7.051 -3.196 1.00 0.00 N ATOM 0 H ASN A 74 7.736 3.375 -0.940 1.00 0.00 H new ATOM 0 HA ASN A 74 9.826 4.012 -1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.674 6.771 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.321 6.520 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.714 7.069 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.832 7.805 -2.551 1.00 0.00 H new ATOM 1095 N GLY A 75 9.756 3.881 1.545 1.00 0.00 N ATOM 1096 CA GLY A 75 10.422 3.850 2.835 1.00 0.00 C ATOM 1097 C GLY A 75 9.748 4.745 3.856 1.00 0.00 C ATOM 1098 O GLY A 75 10.119 4.746 5.029 1.00 0.00 O ATOM 0 H GLY A 75 9.036 3.170 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.438 2.826 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.460 4.161 2.713 1.00 0.00 H new ATOM 1102 N GLU A 76 8.758 5.511 3.409 1.00 0.00 N ATOM 1103 CA GLU A 76 8.034 6.416 4.293 1.00 0.00 C ATOM 1104 C GLU A 76 6.546 6.077 4.319 1.00 0.00 C ATOM 1105 O GLU A 76 5.891 6.021 3.277 1.00 0.00 O ATOM 1106 CB GLU A 76 8.230 7.866 3.846 1.00 0.00 C ATOM 1107 CG GLU A 76 9.613 8.415 4.153 1.00 0.00 C ATOM 1108 CD GLU A 76 10.629 8.070 3.081 1.00 0.00 C ATOM 1109 OE1 GLU A 76 11.199 6.961 3.139 1.00 0.00 O ATOM 1110 OE2 GLU A 76 10.852 8.910 2.184 1.00 0.00 O ATOM 0 H GLU A 76 8.439 5.523 2.440 1.00 0.00 H new ATOM 0 HA GLU A 76 8.434 6.296 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.051 7.934 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.483 8.492 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.555 9.498 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.952 8.020 5.111 1.00 0.00 H new ATOM 1117 N THR A 77 6.017 5.852 5.518 1.00 0.00 N ATOM 1118 CA THR A 77 4.608 5.517 5.681 1.00 0.00 C ATOM 1119 C THR A 77 3.714 6.581 5.054 1.00 0.00 C ATOM 1120 O THR A 77 4.022 7.771 5.103 1.00 0.00 O ATOM 1121 CB THR A 77 4.236 5.360 7.167 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.599 6.542 7.890 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.934 4.154 7.776 1.00 0.00 C ATOM 0 H THR A 77 6.544 5.896 6.390 1.00 0.00 H new ATOM 0 HA THR A 77 4.448 4.566 5.172 1.00 0.00 H new ATOM 0 HB THR A 77 3.159 5.209 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.358 6.435 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.655 4.064 8.826 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.634 3.252 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.014 4.280 7.697 1.00 0.00 H new ATOM 1131 N LEU A 78 2.606 6.144 4.466 1.00 0.00 N ATOM 1132 CA LEU A 78 1.666 7.060 3.830 1.00 0.00 C ATOM 1133 C LEU A 78 1.367 8.250 4.736 1.00 0.00 C ATOM 1134 O LEU A 78 1.357 9.397 4.289 1.00 0.00 O ATOM 1135 CB LEU A 78 0.366 6.329 3.482 1.00 0.00 C ATOM 1136 CG LEU A 78 0.523 5.156 2.515 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.785 4.391 2.386 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.990 5.647 1.153 1.00 0.00 C ATOM 0 H LEU A 78 2.337 5.161 4.416 1.00 0.00 H new ATOM 0 HA LEU A 78 2.123 7.431 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.085 5.962 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.332 7.046 3.049 1.00 0.00 H new ATOM 0 HG LEU A 78 1.278 4.480 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.653 3.560 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.080 4.007 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.561 5.058 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.096 4.798 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.258 6.345 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.951 6.150 1.258 1.00 0.00 H new ATOM 1150 N ARG A 79 1.125 7.968 6.012 1.00 0.00 N ATOM 1151 CA ARG A 79 0.825 9.014 6.982 1.00 0.00 C ATOM 1152 C ARG A 79 1.937 10.059 7.016 1.00 0.00 C ATOM 1153 O ARG A 79 1.673 11.258 7.108 1.00 0.00 O ATOM 1154 CB ARG A 79 0.636 8.410 8.374 1.00 0.00 C ATOM 1155 CG ARG A 79 0.588 9.445 9.486 1.00 0.00 C ATOM 1156 CD ARG A 79 -0.629 10.347 9.356 1.00 0.00 C ATOM 1157 NE ARG A 79 -1.807 9.774 10.001 1.00 0.00 N ATOM 1158 CZ ARG A 79 -2.073 9.907 11.296 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -1.249 10.589 12.079 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -3.165 9.356 11.810 1.00 0.00 N ATOM 0 H ARG A 79 1.131 7.024 6.398 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.100 9.502 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.288 7.832 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.451 7.714 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.567 8.941 10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.495 10.050 9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.409 11.318 9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.841 10.519 8.301 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.461 9.243 9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.408 11.013 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.456 10.689 13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.801 8.830 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.368 9.459 12.804 1.00 0.00 H new ATOM 1174 N HIS A 80 3.180 9.595 6.941 1.00 0.00 N ATOM 1175 CA HIS A 80 4.332 10.489 6.963 1.00 0.00 C ATOM 1176 C HIS A 80 4.321 11.421 5.755 1.00 0.00 C ATOM 1177 O HIS A 80 4.527 12.627 5.887 1.00 0.00 O ATOM 1178 CB HIS A 80 5.631 9.682 6.987 1.00 0.00 C ATOM 1179 CG HIS A 80 6.853 10.519 7.210 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.520 10.572 8.415 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.529 11.339 6.371 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.552 11.389 8.309 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.581 11.867 7.079 1.00 0.00 N ATOM 0 H HIS A 80 3.415 8.605 6.864 1.00 0.00 H new ATOM 0 HA HIS A 80 4.272 11.095 7.867 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.567 8.930 7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.734 9.147 6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.286 11.540 5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.253 11.626 9.095 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.272 12.522 6.714 1.00 0.00 H new ATOM 1192 N LEU A 81 4.079 10.853 4.578 1.00 0.00 N ATOM 1193 CA LEU A 81 4.041 11.632 3.346 1.00 0.00 C ATOM 1194 C LEU A 81 2.959 12.704 3.413 1.00 0.00 C ATOM 1195 O LEU A 81 3.177 13.846 3.010 1.00 0.00 O ATOM 1196 CB LEU A 81 3.795 10.715 2.146 1.00 0.00 C ATOM 1197 CG LEU A 81 4.828 9.605 1.957 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.308 8.549 0.994 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.144 10.182 1.456 1.00 0.00 C ATOM 0 H LEU A 81 3.906 9.856 4.452 1.00 0.00 H new ATOM 0 HA LEU A 81 5.006 12.124 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.810 10.260 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.769 11.324 1.242 1.00 0.00 H new ATOM 0 HG LEU A 81 5.004 9.131 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.058 7.767 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.391 8.114 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.102 9.008 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.868 9.378 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.982 10.681 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.526 10.901 2.181 1.00 0.00 H new ATOM 1211 N GLU A 82 1.791 12.327 3.925 1.00 0.00 N ATOM 1212 CA GLU A 82 0.674 13.256 4.044 1.00 0.00 C ATOM 1213 C GLU A 82 1.053 14.455 4.908 1.00 0.00 C ATOM 1214 O GLU A 82 0.730 15.596 4.580 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.545 12.549 4.641 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.826 13.361 4.548 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.260 13.604 3.116 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.140 12.672 2.294 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -2.719 14.726 2.817 1.00 0.00 O ATOM 0 H GLU A 82 1.594 11.385 4.264 1.00 0.00 H new ATOM 0 HA GLU A 82 0.425 13.614 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.690 11.598 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.345 12.320 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.621 12.840 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.682 14.319 5.047 1.00 0.00 H new ATOM 1226 N GLN A 83 1.740 14.187 6.014 1.00 0.00 N ATOM 1227 CA GLN A 83 2.162 15.243 6.926 1.00 0.00 C ATOM 1228 C GLN A 83 3.044 16.260 6.210 1.00 0.00 C ATOM 1229 O GLN A 83 2.979 17.458 6.485 1.00 0.00 O ATOM 1230 CB GLN A 83 2.913 14.647 8.118 1.00 0.00 C ATOM 1231 CG GLN A 83 2.011 13.933 9.111 1.00 0.00 C ATOM 1232 CD GLN A 83 2.754 13.475 10.350 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.119 14.284 11.204 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.983 12.171 10.456 1.00 0.00 N ATOM 0 H GLN A 83 2.016 13.248 6.300 1.00 0.00 H new ATOM 0 HA GLN A 83 1.270 15.754 7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.662 13.945 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.449 15.444 8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.200 14.600 9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.555 13.070 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.663 11.536 9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.479 11.805 11.269 1.00 0.00 H new ATOM 1243 N LYS A 84 3.871 15.774 5.290 1.00 0.00 N ATOM 1244 CA LYS A 84 4.767 16.640 4.532 1.00 0.00 C ATOM 1245 C LYS A 84 4.060 17.220 3.311 1.00 0.00 C ATOM 1246 O LYS A 84 4.696 17.790 2.426 1.00 0.00 O ATOM 1247 CB LYS A 84 6.010 15.863 4.093 1.00 0.00 C ATOM 1248 CG LYS A 84 6.922 15.474 5.244 1.00 0.00 C ATOM 1249 CD LYS A 84 7.727 14.227 4.921 1.00 0.00 C ATOM 1250 CE LYS A 84 9.052 14.575 4.258 1.00 0.00 C ATOM 1251 NZ LYS A 84 10.099 14.919 5.259 1.00 0.00 N ATOM 0 H LYS A 84 3.939 14.785 5.051 1.00 0.00 H new ATOM 0 HA LYS A 84 5.070 17.463 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.697 14.961 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.574 16.467 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.600 16.298 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.325 15.301 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.913 13.666 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.148 13.579 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.389 13.732 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.909 15.415 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.986 15.150 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.789 15.739 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.254 14.108 5.892 1.00 0.00 H new ATOM 1265 N GLY A 85 2.739 17.072 3.272 1.00 0.00 N ATOM 1266 CA GLY A 85 1.968 17.588 2.156 1.00 0.00 C ATOM 1267 C GLY A 85 2.342 16.933 0.841 1.00 0.00 C ATOM 1268 O GLY A 85 2.335 17.579 -0.206 1.00 0.00 O ATOM 0 H GLY A 85 2.190 16.604 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.907 17.431 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.122 18.664 2.079 1.00 0.00 H new ATOM 1272 N LEU A 86 2.671 15.647 0.895 1.00 0.00 N ATOM 1273 CA LEU A 86 3.051 14.904 -0.301 1.00 0.00 C ATOM 1274 C LEU A 86 1.894 14.042 -0.797 1.00 0.00 C ATOM 1275 O LEU A 86 1.722 13.847 -2.000 1.00 0.00 O ATOM 1276 CB LEU A 86 4.271 14.026 -0.014 1.00 0.00 C ATOM 1277 CG LEU A 86 5.449 14.748 0.638 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.464 13.747 1.167 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.104 15.700 -0.352 1.00 0.00 C ATOM 0 H LEU A 86 2.682 15.097 1.754 1.00 0.00 H new ATOM 0 HA LEU A 86 3.304 15.623 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.964 13.205 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.609 13.583 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 86 5.072 15.330 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.295 14.281 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.989 13.105 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.836 13.137 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.941 16.206 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.466 15.138 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.375 16.440 -0.683 1.00 0.00 H new ATOM 1291 N LEU A 87 1.103 13.528 0.139 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.038 12.687 -0.202 1.00 0.00 C ATOM 1293 C LEU A 87 -1.347 13.450 -0.033 1.00 0.00 C ATOM 1294 O LEU A 87 -1.436 14.383 0.766 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.050 11.430 0.671 1.00 0.00 C ATOM 1296 CG LEU A 87 -1.078 10.372 0.269 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.488 9.415 -0.755 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.565 9.612 1.493 1.00 0.00 C ATOM 0 H LEU A 87 1.231 13.679 1.140 1.00 0.00 H new ATOM 0 HA LEU A 87 0.058 12.394 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.942 10.979 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.239 11.725 1.703 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.931 10.876 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.235 8.669 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.189 9.972 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.383 8.917 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.296 8.863 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.721 9.120 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.028 10.308 2.193 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.362 13.049 -0.791 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.667 13.695 -0.726 1.00 0.00 C ATOM 1312 C PHE A 88 -4.568 13.002 0.291 1.00 0.00 C ATOM 1313 O PHE A 88 -5.360 13.648 0.978 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.333 13.686 -2.104 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.141 12.448 -2.371 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.555 11.195 -2.303 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.486 12.538 -2.690 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.296 10.053 -2.547 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.232 11.401 -2.935 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.636 10.157 -2.865 1.00 0.00 C ATOM 0 H PHE A 88 -2.306 12.279 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.518 14.727 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.980 14.559 -2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.564 13.781 -2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.507 11.109 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.957 13.508 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.828 9.082 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.280 11.485 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.217 9.267 -3.059 1.00 0.00 H new ATOM 1330 N SER A 89 -4.442 11.682 0.382 1.00 0.00 N ATOM 1331 CA SER A 89 -5.247 10.899 1.312 1.00 0.00 C ATOM 1332 C SER A 89 -6.727 11.242 1.171 1.00 0.00 C ATOM 1333 O SER A 89 -7.439 11.386 2.164 1.00 0.00 O ATOM 1334 CB SER A 89 -4.789 11.147 2.750 1.00 0.00 C ATOM 1335 OG SER A 89 -5.333 12.352 3.258 1.00 0.00 O ATOM 0 H SER A 89 -3.790 11.132 -0.177 1.00 0.00 H new ATOM 0 HA SER A 89 -5.112 9.844 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.094 10.312 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.701 11.192 2.786 1.00 0.00 H new ATOM 0 HG SER A 89 -5.179 13.076 2.616 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.183 11.372 -0.071 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.575 11.698 -0.320 1.00 0.00 C ATOM 1343 C GLY A 90 -8.827 13.192 -0.336 1.00 0.00 C ATOM 1344 O GLY A 90 -8.038 13.982 0.183 1.00 0.00 O ATOM 0 H GLY A 90 -6.613 11.257 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.879 11.271 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.196 11.236 0.448 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.949 13.601 -0.946 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.329 15.013 -1.044 1.00 0.00 C ATOM 1350 C PRO A 91 -10.731 15.600 0.305 1.00 0.00 C ATOM 1351 O PRO A 91 -11.568 15.039 1.011 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.526 14.994 -1.998 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.100 13.627 -1.858 1.00 0.00 C ATOM 1354 CD PRO A 91 -10.936 12.715 -1.587 1.00 0.00 C ATOM 0 HA PRO A 91 -9.502 15.634 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.256 15.759 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.217 15.190 -3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.823 13.589 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.626 13.330 -2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.217 11.888 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.546 12.278 -2.506 1.00 0.00 H new ATOM 1362 N SER A 92 -10.130 16.732 0.656 1.00 0.00 N ATOM 1363 CA SER A 92 -10.424 17.393 1.922 1.00 0.00 C ATOM 1364 C SER A 92 -11.334 18.599 1.707 1.00 0.00 C ATOM 1365 O SER A 92 -10.888 19.656 1.263 1.00 0.00 O ATOM 1366 CB SER A 92 -9.128 17.834 2.605 1.00 0.00 C ATOM 1367 OG SER A 92 -8.461 16.731 3.193 1.00 0.00 O ATOM 0 H SER A 92 -9.436 17.211 0.081 1.00 0.00 H new ATOM 0 HA SER A 92 -10.940 16.679 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.474 18.312 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.351 18.578 3.370 1.00 0.00 H new ATOM 0 HG SER A 92 -7.635 17.039 3.621 1.00 0.00 H new ATOM 1373 N SER A 93 -12.614 18.431 2.025 1.00 0.00 N ATOM 1374 CA SER A 93 -13.589 19.503 1.864 1.00 0.00 C ATOM 1375 C SER A 93 -14.640 19.452 2.969 1.00 0.00 C ATOM 1376 O SER A 93 -14.875 18.405 3.570 1.00 0.00 O ATOM 1377 CB SER A 93 -14.266 19.403 0.496 1.00 0.00 C ATOM 1378 OG SER A 93 -13.545 20.129 -0.485 1.00 0.00 O ATOM 0 H SER A 93 -13.000 17.563 2.396 1.00 0.00 H new ATOM 0 HA SER A 93 -13.061 20.454 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.338 18.357 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.284 19.787 0.562 1.00 0.00 H new ATOM 0 HG SER A 93 -12.598 20.163 -0.236 1.00 0.00 H new ATOM 1384 N GLY A 94 -15.270 20.594 3.231 1.00 0.00 N ATOM 1385 CA GLY A 94 -16.288 20.659 4.263 1.00 0.00 C ATOM 1386 C GLY A 94 -16.346 22.017 4.934 1.00 0.00 C ATOM 1387 O GLY A 94 -16.338 23.049 4.264 1.00 0.00 O ATOM 0 H GLY A 94 -15.093 21.474 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.260 20.431 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.090 19.894 5.014 1.00 0.00 H new TER 1391 GLY A 94