USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=27 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 73 CYS SG : rot -27:sc= -0.68 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.84 K(o=-2.5,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0837 (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 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -0:sc= 0.192 USER MOD Single : A 20 THR OG1 : rot -23:sc= 0.295 USER MOD Single : A 21 CYS SG : rot -56:sc= -1.24 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= -0.0778 (180deg=-1.74!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0837 F(o=-0.76,f=-0.084) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.336) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0617) USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= -0.492 (180deg=-1.34) USER MOD Single : A 41 CYS SG : rot -120:sc= -2.78! USER MOD Single : A 43 GLN : amide:sc= 0.155 K(o=0.15,f=-0.66) USER MOD Single : A 44 ASN : amide:sc= -3.45 K(o=-3.5,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 115:sc= -0.991 USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= -0.288 (180deg=-1.09) 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 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.96) USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0302) USER MOD Single : A 89 SER OG : rot 140:sc= -0.836 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.125 10.732 -11.775 1.00 0.00 N ATOM 2 CA GLY A 1 12.796 10.950 -13.042 1.00 0.00 C ATOM 3 C GLY A 1 12.149 10.186 -14.180 1.00 0.00 C ATOM 4 O GLY A 1 11.153 9.491 -13.982 1.00 0.00 O ATOM 0 H1 GLY A 1 11.762 11.637 -11.414 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.334 10.071 -11.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.798 10.332 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.790 12.015 -13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.840 10.649 -12.953 1.00 0.00 H new ATOM 8 N SER A 2 12.715 10.316 -15.376 1.00 0.00 N ATOM 9 CA SER A 2 12.183 9.637 -16.552 1.00 0.00 C ATOM 10 C SER A 2 13.298 9.306 -17.539 1.00 0.00 C ATOM 11 O SER A 2 14.248 10.072 -17.699 1.00 0.00 O ATOM 12 CB SER A 2 11.124 10.506 -17.233 1.00 0.00 C ATOM 13 OG SER A 2 10.223 9.713 -17.987 1.00 0.00 O ATOM 0 H SER A 2 13.542 10.885 -15.556 1.00 0.00 H new ATOM 0 HA SER A 2 11.722 8.705 -16.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.574 11.072 -16.481 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.609 11.232 -17.886 1.00 0.00 H new ATOM 0 HG SER A 2 9.555 10.291 -18.411 1.00 0.00 H new ATOM 19 N SER A 3 13.174 8.159 -18.199 1.00 0.00 N ATOM 20 CA SER A 3 14.173 7.723 -19.168 1.00 0.00 C ATOM 21 C SER A 3 14.043 8.506 -20.471 1.00 0.00 C ATOM 22 O SER A 3 13.020 9.138 -20.729 1.00 0.00 O ATOM 23 CB SER A 3 14.027 6.225 -19.443 1.00 0.00 C ATOM 24 OG SER A 3 14.402 5.459 -18.312 1.00 0.00 O ATOM 0 H SER A 3 12.392 7.515 -18.081 1.00 0.00 H new ATOM 0 HA SER A 3 15.160 7.913 -18.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.995 6.001 -19.712 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.646 5.947 -20.296 1.00 0.00 H new ATOM 0 HG SER A 3 14.298 4.506 -18.513 1.00 0.00 H new ATOM 30 N GLY A 4 15.091 8.460 -21.288 1.00 0.00 N ATOM 31 CA GLY A 4 15.076 9.169 -22.554 1.00 0.00 C ATOM 32 C GLY A 4 15.460 10.628 -22.407 1.00 0.00 C ATOM 33 O GLY A 4 16.500 11.056 -22.907 1.00 0.00 O ATOM 0 H GLY A 4 15.950 7.944 -21.096 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.764 8.684 -23.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.081 9.101 -22.993 1.00 0.00 H new ATOM 37 N SER A 5 14.618 11.393 -21.719 1.00 0.00 N ATOM 38 CA SER A 5 14.873 12.814 -21.511 1.00 0.00 C ATOM 39 C SER A 5 14.551 13.219 -20.076 1.00 0.00 C ATOM 40 O SER A 5 13.932 12.462 -19.330 1.00 0.00 O ATOM 41 CB SER A 5 14.043 13.650 -22.488 1.00 0.00 C ATOM 42 OG SER A 5 14.565 14.962 -22.607 1.00 0.00 O ATOM 0 H SER A 5 13.754 11.053 -21.297 1.00 0.00 H new ATOM 0 HA SER A 5 15.932 12.999 -21.693 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.033 13.169 -23.466 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.009 13.696 -22.145 1.00 0.00 H new ATOM 0 HG SER A 5 14.018 15.476 -23.238 1.00 0.00 H new ATOM 48 N SER A 6 14.978 14.420 -19.698 1.00 0.00 N ATOM 49 CA SER A 6 14.740 14.926 -18.351 1.00 0.00 C ATOM 50 C SER A 6 14.142 16.329 -18.396 1.00 0.00 C ATOM 51 O SER A 6 14.615 17.194 -19.132 1.00 0.00 O ATOM 52 CB SER A 6 16.044 14.940 -17.551 1.00 0.00 C ATOM 53 OG SER A 6 16.924 15.943 -18.027 1.00 0.00 O ATOM 0 H SER A 6 15.490 15.060 -20.305 1.00 0.00 H new ATOM 0 HA SER A 6 14.028 14.262 -17.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.826 15.114 -16.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.527 13.965 -17.620 1.00 0.00 H new ATOM 0 HG SER A 6 17.749 15.932 -17.498 1.00 0.00 H new ATOM 59 N GLY A 7 13.098 16.547 -17.602 1.00 0.00 N ATOM 60 CA GLY A 7 12.452 17.845 -17.565 1.00 0.00 C ATOM 61 C GLY A 7 11.014 17.765 -17.092 1.00 0.00 C ATOM 62 O GLY A 7 10.563 18.601 -16.311 1.00 0.00 O ATOM 0 H GLY A 7 12.688 15.847 -16.984 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.012 18.507 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.480 18.289 -18.560 1.00 0.00 H new ATOM 66 N ASN A 8 10.292 16.755 -17.567 1.00 0.00 N ATOM 67 CA ASN A 8 8.896 16.569 -17.188 1.00 0.00 C ATOM 68 C ASN A 8 8.773 15.588 -16.026 1.00 0.00 C ATOM 69 O ASN A 8 9.709 14.848 -15.724 1.00 0.00 O ATOM 70 CB ASN A 8 8.085 16.065 -18.384 1.00 0.00 C ATOM 71 CG ASN A 8 7.641 17.191 -19.298 1.00 0.00 C ATOM 72 OD1 ASN A 8 6.525 17.696 -19.182 1.00 0.00 O ATOM 73 ND2 ASN A 8 8.517 17.589 -20.213 1.00 0.00 N ATOM 0 H ASN A 8 10.650 16.053 -18.215 1.00 0.00 H new ATOM 0 HA ASN A 8 8.500 17.533 -16.869 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.685 15.354 -18.953 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.209 15.526 -18.024 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.276 18.343 -20.856 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.431 17.141 -20.273 1.00 0.00 H new ATOM 80 N ASP A 9 7.613 15.590 -15.379 1.00 0.00 N ATOM 81 CA ASP A 9 7.366 14.699 -14.250 1.00 0.00 C ATOM 82 C ASP A 9 6.329 13.640 -14.611 1.00 0.00 C ATOM 83 O ASP A 9 5.507 13.841 -15.504 1.00 0.00 O ATOM 84 CB ASP A 9 6.896 15.499 -13.035 1.00 0.00 C ATOM 85 CG ASP A 9 5.626 16.279 -13.311 1.00 0.00 C ATOM 86 OD1 ASP A 9 5.627 17.099 -14.253 1.00 0.00 O ATOM 87 OD2 ASP A 9 4.632 16.071 -12.585 1.00 0.00 O ATOM 0 H ASP A 9 6.829 16.198 -15.616 1.00 0.00 H new ATOM 0 HA ASP A 9 8.301 14.196 -14.004 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.727 14.820 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.684 16.189 -12.731 1.00 0.00 H new ATOM 92 N ALA A 10 6.373 12.512 -13.909 1.00 0.00 N ATOM 93 CA ALA A 10 5.437 11.423 -14.154 1.00 0.00 C ATOM 94 C ALA A 10 3.995 11.914 -14.090 1.00 0.00 C ATOM 95 O ALA A 10 3.517 12.335 -13.037 1.00 0.00 O ATOM 96 CB ALA A 10 5.659 10.300 -13.151 1.00 0.00 C ATOM 0 H ALA A 10 7.047 12.329 -13.166 1.00 0.00 H new ATOM 0 HA ALA A 10 5.619 11.040 -15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.953 9.493 -13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.677 9.922 -13.247 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.507 10.679 -12.141 1.00 0.00 H new ATOM 102 N VAL A 11 3.304 11.857 -15.225 1.00 0.00 N ATOM 103 CA VAL A 11 1.916 12.296 -15.298 1.00 0.00 C ATOM 104 C VAL A 11 0.959 11.136 -15.047 1.00 0.00 C ATOM 105 O VAL A 11 0.110 11.200 -14.158 1.00 0.00 O ATOM 106 CB VAL A 11 1.596 12.923 -16.668 1.00 0.00 C ATOM 107 CG1 VAL A 11 0.138 13.350 -16.733 1.00 0.00 C ATOM 108 CG2 VAL A 11 2.519 14.101 -16.943 1.00 0.00 C ATOM 0 H VAL A 11 3.684 11.511 -16.106 1.00 0.00 H new ATOM 0 HA VAL A 11 1.782 13.049 -14.522 1.00 0.00 H new ATOM 0 HB VAL A 11 1.763 12.172 -17.440 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.069 13.791 -17.708 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.503 12.481 -16.584 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.061 14.085 -15.953 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.279 14.532 -17.915 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.386 14.856 -16.168 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.554 13.760 -16.943 1.00 0.00 H new ATOM 118 N ASP A 12 1.103 10.076 -15.835 1.00 0.00 N ATOM 119 CA ASP A 12 0.252 8.900 -15.697 1.00 0.00 C ATOM 120 C ASP A 12 0.508 8.198 -14.366 1.00 0.00 C ATOM 121 O ASP A 12 -0.375 7.532 -13.825 1.00 0.00 O ATOM 122 CB ASP A 12 0.495 7.930 -16.854 1.00 0.00 C ATOM 123 CG ASP A 12 -0.247 6.620 -16.678 1.00 0.00 C ATOM 124 OD1 ASP A 12 0.208 5.784 -15.869 1.00 0.00 O ATOM 125 OD2 ASP A 12 -1.285 6.432 -17.347 1.00 0.00 O ATOM 0 H ASP A 12 1.801 10.007 -16.576 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.787 9.228 -15.721 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.183 8.398 -17.788 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.563 7.730 -16.938 1.00 0.00 H new ATOM 130 N PHE A 13 1.721 8.350 -13.846 1.00 0.00 N ATOM 131 CA PHE A 13 2.093 7.729 -12.580 1.00 0.00 C ATOM 132 C PHE A 13 1.923 8.709 -11.423 1.00 0.00 C ATOM 133 O PHE A 13 2.250 8.397 -10.278 1.00 0.00 O ATOM 134 CB PHE A 13 3.540 7.235 -12.636 1.00 0.00 C ATOM 135 CG PHE A 13 3.715 5.985 -13.451 1.00 0.00 C ATOM 136 CD1 PHE A 13 3.263 5.926 -14.759 1.00 0.00 C ATOM 137 CD2 PHE A 13 4.332 4.869 -12.908 1.00 0.00 C ATOM 138 CE1 PHE A 13 3.423 4.777 -15.512 1.00 0.00 C ATOM 139 CE2 PHE A 13 4.495 3.718 -13.655 1.00 0.00 C ATOM 140 CZ PHE A 13 4.039 3.672 -14.958 1.00 0.00 C ATOM 0 H PHE A 13 2.463 8.898 -14.281 1.00 0.00 H new ATOM 0 HA PHE A 13 1.432 6.879 -12.413 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.168 8.022 -13.053 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.892 7.050 -11.621 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.780 6.787 -15.196 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.689 4.899 -11.889 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.067 4.744 -16.531 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.978 2.855 -13.221 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.164 2.773 -15.543 1.00 0.00 H new ATOM 150 N SER A 14 1.411 9.896 -11.731 1.00 0.00 N ATOM 151 CA SER A 14 1.201 10.924 -10.718 1.00 0.00 C ATOM 152 C SER A 14 0.142 10.487 -9.711 1.00 0.00 C ATOM 153 O SER A 14 0.354 10.510 -8.498 1.00 0.00 O ATOM 154 CB SER A 14 0.782 12.240 -11.376 1.00 0.00 C ATOM 155 OG SER A 14 1.352 13.350 -10.704 1.00 0.00 O ATOM 0 H SER A 14 1.134 10.170 -12.674 1.00 0.00 H new ATOM 0 HA SER A 14 2.142 11.074 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.094 12.244 -12.420 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.305 12.325 -11.368 1.00 0.00 H new ATOM 0 HG SER A 14 1.071 14.179 -11.145 1.00 0.00 H new ATOM 161 N PRO A 15 -1.028 10.077 -10.224 1.00 0.00 N ATOM 162 CA PRO A 15 -2.144 9.625 -9.388 1.00 0.00 C ATOM 163 C PRO A 15 -1.859 8.288 -8.713 1.00 0.00 C ATOM 164 O PRO A 15 -2.691 7.764 -7.971 1.00 0.00 O ATOM 165 CB PRO A 15 -3.299 9.487 -10.382 1.00 0.00 C ATOM 166 CG PRO A 15 -2.640 9.250 -11.697 1.00 0.00 C ATOM 167 CD PRO A 15 -1.350 10.022 -11.659 1.00 0.00 C ATOM 0 HA PRO A 15 -2.347 10.317 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.956 8.660 -10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.913 10.387 -10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.454 8.188 -11.855 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.273 9.588 -12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.566 9.523 -12.228 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.466 11.019 -12.083 1.00 0.00 H new ATOM 175 N THR A 16 -0.677 7.738 -8.975 1.00 0.00 N ATOM 176 CA THR A 16 -0.283 6.461 -8.394 1.00 0.00 C ATOM 177 C THR A 16 0.966 6.611 -7.532 1.00 0.00 C ATOM 178 O THR A 16 1.856 7.401 -7.844 1.00 0.00 O ATOM 179 CB THR A 16 -0.016 5.406 -9.484 1.00 0.00 C ATOM 180 OG1 THR A 16 1.072 5.825 -10.316 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.256 5.184 -10.337 1.00 0.00 C ATOM 0 H THR A 16 0.024 8.157 -9.586 1.00 0.00 H new ATOM 0 HA THR A 16 -1.113 6.128 -7.772 1.00 0.00 H new ATOM 0 HB THR A 16 0.242 4.467 -8.994 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.402 6.696 -10.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.044 4.435 -11.100 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.074 4.837 -9.706 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.540 6.121 -10.817 1.00 0.00 H new ATOM 189 N LEU A 17 1.025 5.847 -6.447 1.00 0.00 N ATOM 190 CA LEU A 17 2.166 5.894 -5.540 1.00 0.00 C ATOM 191 C LEU A 17 2.612 4.488 -5.152 1.00 0.00 C ATOM 192 O LEU A 17 1.799 3.589 -4.937 1.00 0.00 O ATOM 193 CB LEU A 17 1.813 6.695 -4.284 1.00 0.00 C ATOM 194 CG LEU A 17 1.223 8.081 -4.546 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.684 8.685 -3.259 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.268 8.995 -5.168 1.00 0.00 C ATOM 0 H LEU A 17 0.296 5.188 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 17 2.989 6.386 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.101 6.119 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.712 6.808 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 17 0.395 7.976 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.268 9.671 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.096 8.040 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.492 8.777 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.831 9.977 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.115 9.093 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.607 8.570 -6.113 1.00 0.00 H new ATOM 208 N PRO A 18 3.935 4.292 -5.059 1.00 0.00 N ATOM 209 CA PRO A 18 4.520 2.998 -4.696 1.00 0.00 C ATOM 210 C PRO A 18 4.266 2.635 -3.237 1.00 0.00 C ATOM 211 O PRO A 18 4.703 3.339 -2.326 1.00 0.00 O ATOM 212 CB PRO A 18 6.017 3.203 -4.942 1.00 0.00 C ATOM 213 CG PRO A 18 6.226 4.672 -4.803 1.00 0.00 C ATOM 214 CD PRO A 18 4.963 5.319 -5.301 1.00 0.00 C ATOM 0 HA PRO A 18 4.087 2.180 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.616 2.648 -4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.307 2.854 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.420 4.942 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.088 5.000 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.744 6.241 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.033 5.576 -6.358 1.00 0.00 H new ATOM 222 N VAL A 19 3.556 1.532 -3.021 1.00 0.00 N ATOM 223 CA VAL A 19 3.244 1.075 -1.672 1.00 0.00 C ATOM 224 C VAL A 19 3.806 -0.319 -1.421 1.00 0.00 C ATOM 225 O VAL A 19 4.068 -1.074 -2.358 1.00 0.00 O ATOM 226 CB VAL A 19 1.724 1.058 -1.422 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.148 2.461 -1.536 1.00 0.00 C ATOM 228 CG2 VAL A 19 1.037 0.109 -2.393 1.00 0.00 C ATOM 0 H VAL A 19 3.186 0.938 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 19 3.709 1.780 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 19 1.543 0.699 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.073 2.429 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.620 3.109 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.337 2.852 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.036 0.108 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.225 0.436 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.430 -0.898 -2.257 1.00 0.00 H new ATOM 238 N THR A 20 3.989 -0.657 -0.148 1.00 0.00 N ATOM 239 CA THR A 20 4.520 -1.961 0.228 1.00 0.00 C ATOM 240 C THR A 20 4.074 -2.353 1.632 1.00 0.00 C ATOM 241 O THR A 20 4.144 -1.549 2.562 1.00 0.00 O ATOM 242 CB THR A 20 6.059 -1.980 0.166 1.00 0.00 C ATOM 243 OG1 THR A 20 6.591 -0.851 0.869 1.00 0.00 O ATOM 244 CG2 THR A 20 6.544 -1.960 -1.276 1.00 0.00 C ATOM 0 H THR A 20 3.777 -0.045 0.640 1.00 0.00 H new ATOM 0 HA THR A 20 4.126 -2.681 -0.489 1.00 0.00 H new ATOM 0 HB THR A 20 6.408 -2.899 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.915 -0.142 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.634 -1.974 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.161 -2.835 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.185 -1.056 -1.768 1.00 0.00 H new ATOM 252 N CYS A 21 3.617 -3.592 1.778 1.00 0.00 N ATOM 253 CA CYS A 21 3.159 -4.090 3.070 1.00 0.00 C ATOM 254 C CYS A 21 3.787 -5.444 3.384 1.00 0.00 C ATOM 255 O CYS A 21 3.431 -6.459 2.786 1.00 0.00 O ATOM 256 CB CYS A 21 1.635 -4.205 3.085 1.00 0.00 C ATOM 257 SG CYS A 21 0.942 -4.635 4.699 1.00 0.00 S ATOM 0 H CYS A 21 3.554 -4.270 1.018 1.00 0.00 H new ATOM 0 HA CYS A 21 3.469 -3.379 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.207 -3.257 2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.331 -4.959 2.359 1.00 0.00 H new ATOM 0 HG CYS A 21 1.473 -5.745 5.117 1.00 0.00 H new ATOM 263 N GLY A 22 4.725 -5.452 4.326 1.00 0.00 N ATOM 264 CA GLY A 22 5.389 -6.687 4.702 1.00 0.00 C ATOM 265 C GLY A 22 6.142 -7.315 3.546 1.00 0.00 C ATOM 266 O GLY A 22 7.247 -6.889 3.209 1.00 0.00 O ATOM 0 H GLY A 22 5.037 -4.625 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.083 -6.489 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.649 -7.394 5.077 1.00 0.00 H new ATOM 270 N LYS A 23 5.544 -8.333 2.936 1.00 0.00 N ATOM 271 CA LYS A 23 6.164 -9.023 1.811 1.00 0.00 C ATOM 272 C LYS A 23 5.358 -8.814 0.533 1.00 0.00 C ATOM 273 O LYS A 23 5.614 -9.455 -0.485 1.00 0.00 O ATOM 274 CB LYS A 23 6.288 -10.519 2.109 1.00 0.00 C ATOM 275 CG LYS A 23 4.966 -11.181 2.457 1.00 0.00 C ATOM 276 CD LYS A 23 4.251 -11.685 1.215 1.00 0.00 C ATOM 277 CE LYS A 23 4.910 -12.940 0.663 1.00 0.00 C ATOM 278 NZ LYS A 23 4.404 -13.280 -0.696 1.00 0.00 N ATOM 0 H LYS A 23 4.630 -8.699 3.202 1.00 0.00 H new ATOM 0 HA LYS A 23 7.160 -8.604 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.718 -11.019 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.984 -10.660 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.143 -12.013 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.328 -10.469 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.209 -11.895 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.252 -10.907 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.990 -12.796 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.725 -13.775 1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.877 -14.141 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.378 -13.443 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.603 -12.494 -1.347 1.00 0.00 H new ATOM 292 N ALA A 24 4.384 -7.912 0.595 1.00 0.00 N ATOM 293 CA ALA A 24 3.543 -7.616 -0.558 1.00 0.00 C ATOM 294 C ALA A 24 3.861 -6.239 -1.131 1.00 0.00 C ATOM 295 O ALA A 24 4.125 -5.292 -0.389 1.00 0.00 O ATOM 296 CB ALA A 24 2.073 -7.704 -0.176 1.00 0.00 C ATOM 0 H ALA A 24 4.158 -7.374 1.431 1.00 0.00 H new ATOM 0 HA ALA A 24 3.752 -8.358 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.457 -7.481 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.849 -8.710 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.859 -6.985 0.614 1.00 0.00 H new ATOM 302 N LYS A 25 3.835 -6.133 -2.455 1.00 0.00 N ATOM 303 CA LYS A 25 4.120 -4.872 -3.128 1.00 0.00 C ATOM 304 C LYS A 25 3.027 -4.535 -4.138 1.00 0.00 C ATOM 305 O LYS A 25 2.574 -5.398 -4.888 1.00 0.00 O ATOM 306 CB LYS A 25 5.477 -4.941 -3.833 1.00 0.00 C ATOM 307 CG LYS A 25 6.639 -5.198 -2.890 1.00 0.00 C ATOM 308 CD LYS A 25 7.959 -5.275 -3.640 1.00 0.00 C ATOM 309 CE LYS A 25 8.408 -3.903 -4.119 1.00 0.00 C ATOM 310 NZ LYS A 25 9.163 -3.168 -3.067 1.00 0.00 N ATOM 0 H LYS A 25 3.619 -6.907 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 25 4.149 -4.085 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.447 -5.731 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.650 -4.004 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.688 -4.403 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.471 -6.130 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.723 -5.703 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.855 -5.944 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.034 -4.014 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.537 -3.319 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.850 -2.177 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.987 -3.608 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.180 -3.205 -3.280 1.00 0.00 H new ATOM 324 N GLY A 26 2.609 -3.273 -4.153 1.00 0.00 N ATOM 325 CA GLY A 26 1.574 -2.845 -5.075 1.00 0.00 C ATOM 326 C GLY A 26 1.658 -1.365 -5.394 1.00 0.00 C ATOM 327 O GLY A 26 2.716 -0.750 -5.254 1.00 0.00 O ATOM 0 H GLY A 26 2.969 -2.539 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.655 -3.418 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.596 -3.066 -4.647 1.00 0.00 H new ATOM 331 N THR A 27 0.540 -0.790 -5.827 1.00 0.00 N ATOM 332 CA THR A 27 0.492 0.625 -6.170 1.00 0.00 C ATOM 333 C THR A 27 -0.857 1.234 -5.804 1.00 0.00 C ATOM 334 O THR A 27 -1.904 0.752 -6.236 1.00 0.00 O ATOM 335 CB THR A 27 0.753 0.849 -7.672 1.00 0.00 C ATOM 336 OG1 THR A 27 2.034 0.319 -8.030 1.00 0.00 O ATOM 337 CG2 THR A 27 0.696 2.329 -8.016 1.00 0.00 C ATOM 0 H THR A 27 -0.344 -1.283 -5.948 1.00 0.00 H new ATOM 0 HA THR A 27 1.277 1.116 -5.595 1.00 0.00 H new ATOM 0 HB THR A 27 -0.024 0.332 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.192 0.464 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.883 2.462 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.290 2.722 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.454 2.865 -7.445 1.00 0.00 H new ATOM 345 N LEU A 28 -0.825 2.296 -5.007 1.00 0.00 N ATOM 346 CA LEU A 28 -2.047 2.971 -4.583 1.00 0.00 C ATOM 347 C LEU A 28 -2.458 4.037 -5.594 1.00 0.00 C ATOM 348 O LEU A 28 -1.624 4.800 -6.081 1.00 0.00 O ATOM 349 CB LEU A 28 -1.851 3.607 -3.205 1.00 0.00 C ATOM 350 CG LEU A 28 -2.992 4.513 -2.742 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.036 3.711 -1.982 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.456 5.645 -1.879 1.00 0.00 C ATOM 0 H LEU A 28 0.033 2.708 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.842 2.227 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.718 2.813 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.929 4.188 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.467 4.946 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.840 4.373 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.442 2.935 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.575 3.249 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.282 6.280 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.956 5.230 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.746 6.237 -2.456 1.00 0.00 H new ATOM 364 N PHE A 29 -3.749 4.083 -5.905 1.00 0.00 N ATOM 365 CA PHE A 29 -4.272 5.054 -6.859 1.00 0.00 C ATOM 366 C PHE A 29 -5.212 6.039 -6.172 1.00 0.00 C ATOM 367 O PHE A 29 -6.367 5.718 -5.894 1.00 0.00 O ATOM 368 CB PHE A 29 -5.005 4.339 -7.996 1.00 0.00 C ATOM 369 CG PHE A 29 -4.102 3.511 -8.865 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.330 2.498 -8.317 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.026 3.744 -10.228 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.498 1.735 -9.114 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.195 2.984 -11.030 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.432 1.977 -10.473 1.00 0.00 C ATOM 0 H PHE A 29 -4.453 3.459 -5.510 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.431 5.610 -7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.777 3.697 -7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.511 5.081 -8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.379 2.303 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.623 4.528 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.900 0.950 -8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.143 3.178 -12.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.785 1.380 -11.098 1.00 0.00 H new ATOM 384 N GLN A 30 -4.708 7.239 -5.901 1.00 0.00 N ATOM 385 CA GLN A 30 -5.502 8.270 -5.245 1.00 0.00 C ATOM 386 C GLN A 30 -6.888 8.373 -5.874 1.00 0.00 C ATOM 387 O GLN A 30 -7.862 8.706 -5.200 1.00 0.00 O ATOM 388 CB GLN A 30 -4.791 9.622 -5.328 1.00 0.00 C ATOM 389 CG GLN A 30 -3.275 9.516 -5.262 1.00 0.00 C ATOM 390 CD GLN A 30 -2.618 10.814 -4.836 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.310 10.928 -3.550 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.390 11.706 -5.654 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.754 7.520 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.617 7.991 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.073 10.115 -6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.139 10.257 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.000 8.727 -4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.892 9.223 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.643 11.577 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.948 12.574 -5.352 1.00 0.00 H new ATOM 401 N GLU A 31 -6.967 8.084 -7.169 1.00 0.00 N ATOM 402 CA GLU A 31 -8.234 8.145 -7.889 1.00 0.00 C ATOM 403 C GLU A 31 -9.171 7.029 -7.436 1.00 0.00 C ATOM 404 O GLU A 31 -10.366 7.248 -7.236 1.00 0.00 O ATOM 405 CB GLU A 31 -7.995 8.044 -9.397 1.00 0.00 C ATOM 406 CG GLU A 31 -9.221 7.605 -10.179 1.00 0.00 C ATOM 407 CD GLU A 31 -9.249 8.172 -11.586 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.265 7.970 -12.327 1.00 0.00 O ATOM 409 OE2 GLU A 31 -10.257 8.817 -11.945 1.00 0.00 O ATOM 0 H GLU A 31 -6.170 7.806 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.703 9.103 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.665 9.014 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.185 7.339 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.245 6.516 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.119 7.919 -9.647 1.00 0.00 H new ATOM 416 N LYS A 32 -8.621 5.830 -7.275 1.00 0.00 N ATOM 417 CA LYS A 32 -9.405 4.679 -6.845 1.00 0.00 C ATOM 418 C LYS A 32 -9.464 4.599 -5.323 1.00 0.00 C ATOM 419 O LYS A 32 -10.165 3.756 -4.763 1.00 0.00 O ATOM 420 CB LYS A 32 -8.807 3.389 -7.411 1.00 0.00 C ATOM 421 CG LYS A 32 -9.276 3.068 -8.820 1.00 0.00 C ATOM 422 CD LYS A 32 -8.261 2.216 -9.565 1.00 0.00 C ATOM 423 CE LYS A 32 -8.621 2.081 -11.037 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.668 1.046 -11.259 1.00 0.00 N ATOM 0 H LYS A 32 -7.634 5.630 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.420 4.799 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.720 3.471 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.066 2.559 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.230 2.543 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.446 3.995 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.271 2.662 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.210 1.227 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.974 3.041 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.728 1.823 -11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.885 0.984 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.322 0.125 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.529 1.305 -10.736 1.00 0.00 H new ATOM 438 N LEU A 33 -8.726 5.482 -4.659 1.00 0.00 N ATOM 439 CA LEU A 33 -8.696 5.512 -3.201 1.00 0.00 C ATOM 440 C LEU A 33 -9.642 6.579 -2.660 1.00 0.00 C ATOM 441 O LEU A 33 -10.398 6.335 -1.719 1.00 0.00 O ATOM 442 CB LEU A 33 -7.273 5.775 -2.705 1.00 0.00 C ATOM 443 CG LEU A 33 -7.115 5.822 -1.185 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.269 4.431 -0.590 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.768 6.419 -0.808 1.00 0.00 C ATOM 0 H LEU A 33 -8.140 6.187 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.027 4.540 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.618 4.998 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.929 6.722 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.899 6.459 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.154 4.484 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.257 4.040 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.507 3.771 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.672 6.445 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.969 5.808 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.696 7.432 -1.203 1.00 0.00 H new ATOM 457 N LYS A 34 -9.595 7.763 -3.261 1.00 0.00 N ATOM 458 CA LYS A 34 -10.447 8.869 -2.841 1.00 0.00 C ATOM 459 C LYS A 34 -11.912 8.446 -2.811 1.00 0.00 C ATOM 460 O LYS A 34 -12.686 8.915 -1.977 1.00 0.00 O ATOM 461 CB LYS A 34 -10.269 10.063 -3.782 1.00 0.00 C ATOM 462 CG LYS A 34 -10.920 9.869 -5.140 1.00 0.00 C ATOM 463 CD LYS A 34 -10.482 10.938 -6.127 1.00 0.00 C ATOM 464 CE LYS A 34 -11.400 12.150 -6.080 1.00 0.00 C ATOM 465 NZ LYS A 34 -10.947 13.151 -5.075 1.00 0.00 N ATOM 0 H LYS A 34 -8.975 7.981 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.151 9.161 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.689 10.952 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.204 10.249 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.662 8.885 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.004 9.895 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.460 11.245 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.476 10.524 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.437 12.616 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.414 11.829 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.754 13.443 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.214 12.729 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.556 13.981 -5.564 1.00 0.00 H new ATOM 479 N GLN A 35 -12.285 7.556 -3.726 1.00 0.00 N ATOM 480 CA GLN A 35 -13.658 7.070 -3.803 1.00 0.00 C ATOM 481 C GLN A 35 -14.033 6.297 -2.543 1.00 0.00 C ATOM 482 O GLN A 35 -15.112 6.489 -1.983 1.00 0.00 O ATOM 483 CB GLN A 35 -13.838 6.180 -5.034 1.00 0.00 C ATOM 484 CG GLN A 35 -13.428 6.851 -6.335 1.00 0.00 C ATOM 485 CD GLN A 35 -14.062 6.204 -7.550 1.00 0.00 C ATOM 486 OE1 GLN A 35 -13.949 4.995 -7.754 1.00 0.00 O ATOM 487 NE2 GLN A 35 -14.734 7.007 -8.366 1.00 0.00 N ATOM 0 H GLN A 35 -11.656 7.157 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.318 7.933 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.252 5.271 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.883 5.878 -5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.709 7.904 -6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.343 6.813 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.803 8.003 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.182 6.628 -9.200 1.00 0.00 H new ATOM 496 N GLY A 36 -13.134 5.422 -2.101 1.00 0.00 N ATOM 497 CA GLY A 36 -13.390 4.633 -0.911 1.00 0.00 C ATOM 498 C GLY A 36 -12.284 3.636 -0.627 1.00 0.00 C ATOM 499 O GLY A 36 -12.020 2.746 -1.435 1.00 0.00 O ATOM 0 H GLY A 36 -12.233 5.246 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.504 5.298 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.334 4.100 -1.028 1.00 0.00 H new ATOM 503 N ALA A 37 -11.635 3.786 0.523 1.00 0.00 N ATOM 504 CA ALA A 37 -10.552 2.891 0.910 1.00 0.00 C ATOM 505 C ALA A 37 -10.928 1.434 0.663 1.00 0.00 C ATOM 506 O ALA A 37 -10.080 0.615 0.310 1.00 0.00 O ATOM 507 CB ALA A 37 -10.189 3.104 2.373 1.00 0.00 C ATOM 0 H ALA A 37 -11.840 4.519 1.202 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.684 3.124 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.379 2.429 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.869 4.135 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.059 2.900 2.997 1.00 0.00 H new ATOM 513 N SER A 38 -12.205 1.118 0.852 1.00 0.00 N ATOM 514 CA SER A 38 -12.693 -0.242 0.654 1.00 0.00 C ATOM 515 C SER A 38 -12.514 -0.677 -0.797 1.00 0.00 C ATOM 516 O SER A 38 -12.211 -1.837 -1.078 1.00 0.00 O ATOM 517 CB SER A 38 -14.167 -0.340 1.050 1.00 0.00 C ATOM 518 OG SER A 38 -14.721 -1.582 0.650 1.00 0.00 O ATOM 0 H SER A 38 -12.920 1.785 1.142 1.00 0.00 H new ATOM 0 HA SER A 38 -12.109 -0.908 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.265 -0.225 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.725 0.476 0.591 1.00 0.00 H new ATOM 0 HG SER A 38 -15.663 -1.621 0.916 1.00 0.00 H new ATOM 524 N LYS A 39 -12.704 0.262 -1.718 1.00 0.00 N ATOM 525 CA LYS A 39 -12.563 -0.021 -3.141 1.00 0.00 C ATOM 526 C LYS A 39 -11.136 -0.444 -3.473 1.00 0.00 C ATOM 527 O LYS A 39 -10.173 0.113 -2.944 1.00 0.00 O ATOM 528 CB LYS A 39 -12.948 1.208 -3.967 1.00 0.00 C ATOM 529 CG LYS A 39 -14.351 1.717 -3.684 1.00 0.00 C ATOM 530 CD LYS A 39 -15.376 1.062 -4.595 1.00 0.00 C ATOM 531 CE LYS A 39 -16.787 1.527 -4.271 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.264 0.985 -2.969 1.00 0.00 N ATOM 0 H LYS A 39 -12.956 1.227 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.234 -0.843 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.234 2.007 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.866 0.964 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.608 1.519 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.381 2.798 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.144 1.297 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.316 -0.021 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.813 2.616 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.464 1.213 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.276 1.196 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.121 -0.045 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.729 1.425 -2.193 1.00 0.00 H new ATOM 546 N LYS A 40 -11.005 -1.430 -4.354 1.00 0.00 N ATOM 547 CA LYS A 40 -9.696 -1.926 -4.759 1.00 0.00 C ATOM 548 C LYS A 40 -8.894 -0.834 -5.460 1.00 0.00 C ATOM 549 O LYS A 40 -9.174 -0.484 -6.607 1.00 0.00 O ATOM 550 CB LYS A 40 -9.849 -3.135 -5.686 1.00 0.00 C ATOM 551 CG LYS A 40 -10.810 -4.186 -5.158 1.00 0.00 C ATOM 552 CD LYS A 40 -10.092 -5.220 -4.307 1.00 0.00 C ATOM 553 CE LYS A 40 -10.981 -6.421 -4.021 1.00 0.00 C ATOM 554 NZ LYS A 40 -12.379 -6.014 -3.707 1.00 0.00 N ATOM 0 H LYS A 40 -11.791 -1.902 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.157 -2.230 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.197 -2.793 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.871 -3.592 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.589 -3.704 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.304 -4.681 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.187 -5.549 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.779 -4.765 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.982 -7.086 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.570 -6.986 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.776 -6.658 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.383 -5.042 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.956 -6.057 -4.571 1.00 0.00 H new ATOM 568 N CYS A 41 -7.895 -0.301 -4.765 1.00 0.00 N ATOM 569 CA CYS A 41 -7.052 0.751 -5.321 1.00 0.00 C ATOM 570 C CYS A 41 -5.601 0.290 -5.419 1.00 0.00 C ATOM 571 O CYS A 41 -4.853 0.742 -6.286 1.00 0.00 O ATOM 572 CB CYS A 41 -7.142 2.013 -4.463 1.00 0.00 C ATOM 573 SG CYS A 41 -6.696 1.760 -2.729 1.00 0.00 S ATOM 0 H CYS A 41 -7.649 -0.580 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.411 0.977 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.489 2.775 -4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.159 2.401 -4.512 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.707 2.067 -1.972 1.00 0.00 H new ATOM 579 N ILE A 42 -5.210 -0.611 -4.524 1.00 0.00 N ATOM 580 CA ILE A 42 -3.849 -1.132 -4.509 1.00 0.00 C ATOM 581 C ILE A 42 -3.676 -2.247 -5.535 1.00 0.00 C ATOM 582 O ILE A 42 -4.206 -3.345 -5.368 1.00 0.00 O ATOM 583 CB ILE A 42 -3.466 -1.667 -3.117 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.541 -0.547 -2.077 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.072 -2.276 -3.148 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.544 -1.047 -0.649 1.00 0.00 C ATOM 0 H ILE A 42 -5.817 -0.995 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.191 -0.301 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.175 -2.446 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.694 0.124 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.444 0.039 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.816 -2.650 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.050 -3.099 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.350 -1.516 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.599 -0.199 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.406 -1.695 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.629 -1.608 -0.458 1.00 0.00 H new ATOM 598 N GLN A 43 -2.930 -1.956 -6.596 1.00 0.00 N ATOM 599 CA GLN A 43 -2.686 -2.935 -7.649 1.00 0.00 C ATOM 600 C GLN A 43 -1.368 -3.666 -7.418 1.00 0.00 C ATOM 601 O GLN A 43 -0.310 -3.044 -7.329 1.00 0.00 O ATOM 602 CB GLN A 43 -2.671 -2.251 -9.017 1.00 0.00 C ATOM 603 CG GLN A 43 -3.054 -3.173 -10.163 1.00 0.00 C ATOM 604 CD GLN A 43 -2.930 -2.504 -11.517 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.033 -1.690 -11.740 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.831 -2.844 -12.432 1.00 0.00 N ATOM 0 H GLN A 43 -2.485 -1.051 -6.749 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.494 -3.666 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.357 -1.404 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.675 -1.850 -9.202 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.418 -4.058 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.080 -3.513 -10.023 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.558 -3.523 -12.205 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.796 -2.426 -13.362 1.00 0.00 H new ATOM 615 N ASN A 44 -1.439 -4.990 -7.322 1.00 0.00 N ATOM 616 CA ASN A 44 -0.251 -5.805 -7.101 1.00 0.00 C ATOM 617 C ASN A 44 0.553 -5.957 -8.389 1.00 0.00 C ATOM 618 O ASN A 44 0.135 -5.495 -9.450 1.00 0.00 O ATOM 619 CB ASN A 44 -0.645 -7.184 -6.567 1.00 0.00 C ATOM 620 CG ASN A 44 -1.406 -8.004 -7.591 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.645 -7.553 -8.711 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.792 -9.216 -7.209 1.00 0.00 N ATOM 0 H ASN A 44 -2.307 -5.521 -7.394 1.00 0.00 H new ATOM 0 HA ASN A 44 0.372 -5.301 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.253 -7.725 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.258 -7.063 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.309 -9.814 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.572 -9.549 -6.270 1.00 0.00 H new ATOM 629 N GLU A 45 1.707 -6.609 -8.286 1.00 0.00 N ATOM 630 CA GLU A 45 2.568 -6.821 -9.443 1.00 0.00 C ATOM 631 C GLU A 45 1.846 -7.626 -10.520 1.00 0.00 C ATOM 632 O GLU A 45 2.174 -7.537 -11.702 1.00 0.00 O ATOM 633 CB GLU A 45 3.851 -7.544 -9.026 1.00 0.00 C ATOM 634 CG GLU A 45 4.616 -6.836 -7.920 1.00 0.00 C ATOM 635 CD GLU A 45 6.110 -7.088 -7.990 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.687 -6.932 -9.086 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.700 -7.441 -6.948 1.00 0.00 O ATOM 0 H GLU A 45 2.066 -6.999 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 45 2.826 -5.845 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.599 -8.551 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.499 -7.647 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.429 -5.764 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.240 -7.169 -6.953 1.00 0.00 H new ATOM 644 N ALA A 46 0.859 -8.412 -10.100 1.00 0.00 N ATOM 645 CA ALA A 46 0.089 -9.232 -11.027 1.00 0.00 C ATOM 646 C ALA A 46 -0.980 -8.404 -11.733 1.00 0.00 C ATOM 647 O ALA A 46 -1.585 -8.854 -12.706 1.00 0.00 O ATOM 648 CB ALA A 46 -0.546 -10.403 -10.293 1.00 0.00 C ATOM 0 H ALA A 46 0.574 -8.498 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 46 0.770 -9.619 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.118 -11.007 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.234 -11.015 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.210 -10.027 -9.514 1.00 0.00 H new ATOM 654 N GLY A 47 -1.210 -7.193 -11.235 1.00 0.00 N ATOM 655 CA GLY A 47 -2.207 -6.323 -11.830 1.00 0.00 C ATOM 656 C GLY A 47 -3.531 -6.369 -11.092 1.00 0.00 C ATOM 657 O GLY A 47 -4.351 -5.460 -11.219 1.00 0.00 O ATOM 0 H GLY A 47 -0.723 -6.799 -10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.834 -5.299 -11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.363 -6.612 -12.869 1.00 0.00 H new ATOM 661 N ASP A 48 -3.740 -7.431 -10.322 1.00 0.00 N ATOM 662 CA ASP A 48 -4.974 -7.592 -9.561 1.00 0.00 C ATOM 663 C ASP A 48 -5.064 -6.556 -8.445 1.00 0.00 C ATOM 664 O ASP A 48 -4.190 -6.482 -7.582 1.00 0.00 O ATOM 665 CB ASP A 48 -5.054 -9.002 -8.973 1.00 0.00 C ATOM 666 CG ASP A 48 -5.381 -10.048 -10.021 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.506 -10.015 -10.561 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.512 -10.901 -10.299 1.00 0.00 O ATOM 0 H ASP A 48 -3.072 -8.193 -10.208 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.813 -7.441 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.104 -9.250 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.814 -9.024 -8.192 1.00 0.00 H new ATOM 673 N TRP A 49 -6.125 -5.758 -8.470 1.00 0.00 N ATOM 674 CA TRP A 49 -6.329 -4.725 -7.461 1.00 0.00 C ATOM 675 C TRP A 49 -6.709 -5.342 -6.120 1.00 0.00 C ATOM 676 O TRP A 49 -7.280 -6.431 -6.066 1.00 0.00 O ATOM 677 CB TRP A 49 -7.415 -3.749 -7.913 1.00 0.00 C ATOM 678 CG TRP A 49 -7.100 -3.069 -9.211 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.244 -3.591 -10.465 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.587 -1.743 -9.382 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.851 -2.669 -11.406 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.444 -1.527 -10.767 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.236 -0.717 -8.501 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.965 -0.328 -11.287 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.760 0.472 -9.019 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.629 0.659 -10.401 1.00 0.00 C ATOM 0 H TRP A 49 -6.858 -5.806 -9.178 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.392 -4.182 -7.338 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.358 -4.287 -8.012 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.559 -2.993 -7.141 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.612 -4.582 -10.685 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.861 -2.812 -12.416 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.335 -0.851 -7.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.862 -0.182 -12.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.484 1.271 -8.347 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.255 1.601 -10.775 1.00 0.00 H new ATOM 697 N LEU A 50 -6.388 -4.640 -5.038 1.00 0.00 N ATOM 698 CA LEU A 50 -6.697 -5.120 -3.696 1.00 0.00 C ATOM 699 C LEU A 50 -7.163 -3.975 -2.803 1.00 0.00 C ATOM 700 O LEU A 50 -6.651 -2.858 -2.886 1.00 0.00 O ATOM 701 CB LEU A 50 -5.470 -5.796 -3.079 1.00 0.00 C ATOM 702 CG LEU A 50 -4.911 -6.973 -3.878 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.409 -7.095 -3.670 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.611 -8.265 -3.483 1.00 0.00 C ATOM 0 H LEU A 50 -5.914 -3.737 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.504 -5.848 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.684 -5.050 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.730 -6.145 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.097 -6.790 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.029 -7.938 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.920 -6.179 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.200 -7.255 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.201 -9.093 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.456 -8.453 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.679 -8.176 -3.684 1.00 0.00 H new ATOM 716 N THR A 51 -8.140 -4.260 -1.947 1.00 0.00 N ATOM 717 CA THR A 51 -8.678 -3.254 -1.039 1.00 0.00 C ATOM 718 C THR A 51 -7.663 -2.887 0.037 1.00 0.00 C ATOM 719 O THR A 51 -6.902 -3.735 0.503 1.00 0.00 O ATOM 720 CB THR A 51 -9.972 -3.744 -0.362 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.690 -4.869 0.478 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.014 -4.129 -1.401 1.00 0.00 C ATOM 0 H THR A 51 -8.575 -5.179 -1.864 1.00 0.00 H new ATOM 0 HA THR A 51 -8.902 -2.372 -1.640 1.00 0.00 H new ATOM 0 HB THR A 51 -10.370 -2.930 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.517 -5.173 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.919 -4.472 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.248 -3.263 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.623 -4.929 -2.030 1.00 0.00 H new ATOM 730 N VAL A 52 -7.657 -1.616 0.429 1.00 0.00 N ATOM 731 CA VAL A 52 -6.736 -1.136 1.453 1.00 0.00 C ATOM 732 C VAL A 52 -6.474 -2.210 2.503 1.00 0.00 C ATOM 733 O VAL A 52 -5.379 -2.296 3.060 1.00 0.00 O ATOM 734 CB VAL A 52 -7.279 0.126 2.149 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.341 0.567 3.263 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.482 1.245 1.138 1.00 0.00 C ATOM 0 H VAL A 52 -8.279 -0.901 0.053 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.802 -0.890 0.949 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.245 -0.112 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.741 1.460 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.250 -0.231 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.359 0.789 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.866 2.129 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.530 1.484 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.195 0.924 0.379 1.00 0.00 H new ATOM 746 N LYS A 53 -7.486 -3.028 2.770 1.00 0.00 N ATOM 747 CA LYS A 53 -7.367 -4.099 3.753 1.00 0.00 C ATOM 748 C LYS A 53 -6.778 -5.355 3.120 1.00 0.00 C ATOM 749 O LYS A 53 -5.815 -5.926 3.631 1.00 0.00 O ATOM 750 CB LYS A 53 -8.734 -4.415 4.362 1.00 0.00 C ATOM 751 CG LYS A 53 -8.686 -5.476 5.448 1.00 0.00 C ATOM 752 CD LYS A 53 -10.063 -6.059 5.719 1.00 0.00 C ATOM 753 CE LYS A 53 -10.365 -7.228 4.795 1.00 0.00 C ATOM 754 NZ LYS A 53 -11.827 -7.495 4.698 1.00 0.00 N ATOM 0 H LYS A 53 -8.399 -2.970 2.319 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.695 -3.761 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.157 -3.501 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.407 -4.747 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.005 -6.273 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.287 -5.042 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.122 -6.389 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.819 -5.285 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.967 -7.018 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.856 -8.120 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.991 -8.299 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.202 -7.720 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.310 -6.652 4.326 1.00 0.00 H new ATOM 768 N GLU A 54 -7.362 -5.780 2.003 1.00 0.00 N ATOM 769 CA GLU A 54 -6.893 -6.969 1.301 1.00 0.00 C ATOM 770 C GLU A 54 -5.380 -6.927 1.112 1.00 0.00 C ATOM 771 O GLU A 54 -4.692 -7.932 1.296 1.00 0.00 O ATOM 772 CB GLU A 54 -7.585 -7.091 -0.058 1.00 0.00 C ATOM 773 CG GLU A 54 -8.929 -7.798 0.004 1.00 0.00 C ATOM 774 CD GLU A 54 -9.387 -8.301 -1.351 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.519 -8.559 -2.211 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.612 -8.436 -1.551 1.00 0.00 O ATOM 0 H GLU A 54 -8.160 -5.319 1.566 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.142 -7.840 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.727 -6.094 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.931 -7.632 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.862 -8.638 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.677 -7.114 0.405 1.00 0.00 H new ATOM 783 N PHE A 55 -4.867 -5.758 0.742 1.00 0.00 N ATOM 784 CA PHE A 55 -3.435 -5.585 0.526 1.00 0.00 C ATOM 785 C PHE A 55 -2.645 -5.995 1.765 1.00 0.00 C ATOM 786 O PHE A 55 -1.621 -6.671 1.666 1.00 0.00 O ATOM 787 CB PHE A 55 -3.124 -4.131 0.168 1.00 0.00 C ATOM 788 CG PHE A 55 -1.679 -3.891 -0.165 1.00 0.00 C ATOM 789 CD1 PHE A 55 -1.053 -4.623 -1.160 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.947 -2.933 0.519 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.277 -4.405 -1.468 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.382 -2.710 0.215 1.00 0.00 C ATOM 793 CZ PHE A 55 0.995 -3.448 -0.779 1.00 0.00 C ATOM 0 H PHE A 55 -5.422 -4.916 0.585 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.138 -6.228 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.738 -3.835 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.407 -3.491 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.610 -5.373 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.421 -2.355 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.754 -4.982 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.941 -1.959 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.034 -3.277 -1.017 1.00 0.00 H new ATOM 803 N LEU A 56 -3.128 -5.582 2.932 1.00 0.00 N ATOM 804 CA LEU A 56 -2.467 -5.905 4.191 1.00 0.00 C ATOM 805 C LEU A 56 -2.445 -7.412 4.423 1.00 0.00 C ATOM 806 O LEU A 56 -1.399 -7.991 4.713 1.00 0.00 O ATOM 807 CB LEU A 56 -3.174 -5.208 5.356 1.00 0.00 C ATOM 808 CG LEU A 56 -3.503 -3.733 5.124 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.322 -3.180 6.279 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.226 -2.926 4.939 1.00 0.00 C ATOM 0 H LEU A 56 -3.975 -5.023 3.032 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.438 -5.549 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.100 -5.742 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.546 -5.289 6.243 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.097 -3.652 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.546 -2.129 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.253 -3.740 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.755 -3.274 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.478 -1.878 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.607 -3.015 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.677 -3.306 4.078 1.00 0.00 H new ATOM 822 N ASN A 57 -3.608 -8.042 4.293 1.00 0.00 N ATOM 823 CA ASN A 57 -3.723 -9.483 4.489 1.00 0.00 C ATOM 824 C ASN A 57 -2.690 -10.230 3.651 1.00 0.00 C ATOM 825 O ASN A 57 -2.120 -11.226 4.095 1.00 0.00 O ATOM 826 CB ASN A 57 -5.132 -9.957 4.124 1.00 0.00 C ATOM 827 CG ASN A 57 -6.093 -9.867 5.294 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.120 -10.743 6.158 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.888 -8.803 5.325 1.00 0.00 N ATOM 0 H ASN A 57 -4.484 -7.578 4.053 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.535 -9.698 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.512 -9.356 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.086 -10.988 3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.556 -8.687 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.831 -8.102 4.587 1.00 0.00 H new ATOM 836 N GLU A 58 -2.455 -9.741 2.437 1.00 0.00 N ATOM 837 CA GLU A 58 -1.490 -10.363 1.538 1.00 0.00 C ATOM 838 C GLU A 58 -0.123 -10.485 2.205 1.00 0.00 C ATOM 839 O GLU A 58 0.591 -11.467 2.009 1.00 0.00 O ATOM 840 CB GLU A 58 -1.369 -9.554 0.245 1.00 0.00 C ATOM 841 CG GLU A 58 -2.340 -9.989 -0.839 1.00 0.00 C ATOM 842 CD GLU A 58 -2.232 -11.467 -1.160 1.00 0.00 C ATOM 843 OE1 GLU A 58 -2.894 -12.274 -0.475 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.485 -11.816 -2.098 1.00 0.00 O ATOM 0 H GLU A 58 -2.919 -8.917 2.054 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.848 -11.364 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.536 -8.500 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.351 -9.642 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.358 -9.763 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.152 -9.410 -1.743 1.00 0.00 H new ATOM 851 N GLY A 59 0.234 -9.477 2.996 1.00 0.00 N ATOM 852 CA GLY A 59 1.514 -9.489 3.680 1.00 0.00 C ATOM 853 C GLY A 59 1.452 -10.207 5.013 1.00 0.00 C ATOM 854 O GLY A 59 2.398 -10.890 5.403 1.00 0.00 O ATOM 0 H GLY A 59 -0.340 -8.653 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.257 -9.971 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.848 -8.463 3.838 1.00 0.00 H new ATOM 858 N GLY A 60 0.334 -10.052 5.716 1.00 0.00 N ATOM 859 CA GLY A 60 0.174 -10.696 7.007 1.00 0.00 C ATOM 860 C GLY A 60 0.035 -9.697 8.139 1.00 0.00 C ATOM 861 O GLY A 60 0.343 -10.007 9.290 1.00 0.00 O ATOM 0 H GLY A 60 -0.464 -9.492 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.706 -11.338 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.033 -11.340 7.198 1.00 0.00 H new ATOM 865 N ARG A 61 -0.429 -8.496 7.813 1.00 0.00 N ATOM 866 CA ARG A 61 -0.606 -7.448 8.811 1.00 0.00 C ATOM 867 C ARG A 61 -2.073 -7.041 8.919 1.00 0.00 C ATOM 868 O ARG A 61 -2.394 -5.975 9.443 1.00 0.00 O ATOM 869 CB ARG A 61 0.248 -6.229 8.458 1.00 0.00 C ATOM 870 CG ARG A 61 1.653 -6.282 9.035 1.00 0.00 C ATOM 871 CD ARG A 61 2.544 -5.206 8.432 1.00 0.00 C ATOM 872 NE ARG A 61 3.917 -5.295 8.922 1.00 0.00 N ATOM 873 CZ ARG A 61 4.327 -4.751 10.062 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.474 -4.082 10.826 1.00 0.00 N ATOM 875 NH2 ARG A 61 5.593 -4.875 10.440 1.00 0.00 N ATOM 0 H ARG A 61 -0.689 -8.224 6.865 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.285 -7.842 9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.313 -6.143 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.251 -5.330 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.608 -6.155 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.088 -7.264 8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.540 -5.299 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.137 -4.223 8.670 1.00 0.00 H new ATOM 0 HE ARG A 61 4.598 -5.803 8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.500 -3.984 10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.792 -3.665 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.252 -5.388 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.907 -4.457 11.316 1.00 0.00 H new ATOM 889 N ALA A 62 -2.957 -7.898 8.419 1.00 0.00 N ATOM 890 CA ALA A 62 -4.389 -7.628 8.460 1.00 0.00 C ATOM 891 C ALA A 62 -4.824 -7.183 9.853 1.00 0.00 C ATOM 892 O ALA A 62 -5.577 -6.220 10.002 1.00 0.00 O ATOM 893 CB ALA A 62 -5.171 -8.861 8.030 1.00 0.00 C ATOM 0 H ALA A 62 -2.707 -8.785 7.981 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.601 -6.816 7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.239 -8.645 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.889 -9.134 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.946 -9.688 8.703 1.00 0.00 H new ATOM 899 N THR A 63 -4.346 -7.891 10.871 1.00 0.00 N ATOM 900 CA THR A 63 -4.687 -7.570 12.252 1.00 0.00 C ATOM 901 C THR A 63 -4.580 -6.072 12.510 1.00 0.00 C ATOM 902 O THR A 63 -5.223 -5.541 13.416 1.00 0.00 O ATOM 903 CB THR A 63 -3.775 -8.317 13.244 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.085 -7.923 14.585 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.310 -8.032 12.952 1.00 0.00 C ATOM 0 H THR A 63 -3.722 -8.691 10.766 1.00 0.00 H new ATOM 0 HA THR A 63 -5.718 -7.890 12.406 1.00 0.00 H new ATOM 0 HB THR A 63 -3.950 -9.387 13.130 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.502 -8.403 15.210 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.685 -8.570 13.665 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.070 -8.359 11.940 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.123 -6.962 13.041 1.00 0.00 H new ATOM 913 N SER A 64 -3.765 -5.394 11.708 1.00 0.00 N ATOM 914 CA SER A 64 -3.572 -3.956 11.853 1.00 0.00 C ATOM 915 C SER A 64 -4.837 -3.196 11.464 1.00 0.00 C ATOM 916 O SER A 64 -5.560 -3.597 10.552 1.00 0.00 O ATOM 917 CB SER A 64 -2.397 -3.489 10.991 1.00 0.00 C ATOM 918 OG SER A 64 -1.773 -2.349 11.556 1.00 0.00 O ATOM 0 H SER A 64 -3.228 -5.817 10.951 1.00 0.00 H new ATOM 0 HA SER A 64 -3.351 -3.747 12.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.670 -4.295 10.894 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.749 -3.255 9.986 1.00 0.00 H new ATOM 0 HG SER A 64 -0.859 -2.577 11.826 1.00 0.00 H new ATOM 924 N LYS A 65 -5.097 -2.097 12.162 1.00 0.00 N ATOM 925 CA LYS A 65 -6.273 -1.278 11.891 1.00 0.00 C ATOM 926 C LYS A 65 -5.931 -0.131 10.946 1.00 0.00 C ATOM 927 O LYS A 65 -6.653 0.130 9.984 1.00 0.00 O ATOM 928 CB LYS A 65 -6.845 -0.723 13.198 1.00 0.00 C ATOM 929 CG LYS A 65 -8.289 -0.266 13.083 1.00 0.00 C ATOM 930 CD LYS A 65 -9.257 -1.416 13.303 1.00 0.00 C ATOM 931 CE LYS A 65 -9.632 -1.556 14.771 1.00 0.00 C ATOM 932 NZ LYS A 65 -8.602 -2.308 15.537 1.00 0.00 N ATOM 0 H LYS A 65 -4.509 -1.752 12.921 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.022 -1.909 11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.775 -1.489 13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.232 0.116 13.526 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.483 0.519 13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.457 0.168 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.157 -1.254 12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.807 -2.344 12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.760 -0.566 15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.591 -2.067 14.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.065 -2.882 16.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.075 -2.931 14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.945 -1.638 15.985 1.00 0.00 H new ATOM 946 N ASP A 66 -4.825 0.551 11.226 1.00 0.00 N ATOM 947 CA ASP A 66 -4.386 1.668 10.398 1.00 0.00 C ATOM 948 C ASP A 66 -3.515 1.181 9.244 1.00 0.00 C ATOM 949 O ASP A 66 -2.420 0.662 9.457 1.00 0.00 O ATOM 950 CB ASP A 66 -3.614 2.683 11.243 1.00 0.00 C ATOM 951 CG ASP A 66 -4.490 3.360 12.279 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.163 4.353 11.930 1.00 0.00 O ATOM 953 OD2 ASP A 66 -4.504 2.897 13.438 1.00 0.00 O ATOM 0 H ASP A 66 -4.217 0.350 12.020 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.271 2.150 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.787 2.180 11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.179 3.439 10.590 1.00 0.00 H new ATOM 958 N TRP A 67 -4.010 1.352 8.024 1.00 0.00 N ATOM 959 CA TRP A 67 -3.277 0.929 6.836 1.00 0.00 C ATOM 960 C TRP A 67 -2.203 1.946 6.468 1.00 0.00 C ATOM 961 O TRP A 67 -1.173 1.596 5.892 1.00 0.00 O ATOM 962 CB TRP A 67 -4.237 0.734 5.662 1.00 0.00 C ATOM 963 CG TRP A 67 -5.115 1.923 5.408 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.282 2.231 6.047 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.895 2.960 4.446 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.801 3.398 5.540 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.969 3.865 4.558 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.896 3.214 3.504 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.070 5.002 3.760 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.997 4.343 2.713 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.077 5.226 2.846 1.00 0.00 C ATOM 0 H TRP A 67 -4.915 1.780 7.831 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.790 -0.020 7.059 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.660 0.518 4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.864 -0.137 5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.731 1.644 6.835 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.666 3.844 5.846 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.059 2.540 3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.903 5.683 3.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.231 4.548 1.980 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.126 6.101 2.214 1.00 0.00 H new ATOM 982 N LYS A 68 -2.449 3.208 6.803 1.00 0.00 N ATOM 983 CA LYS A 68 -1.503 4.277 6.509 1.00 0.00 C ATOM 984 C LYS A 68 -0.203 4.081 7.282 1.00 0.00 C ATOM 985 O LYS A 68 0.837 4.628 6.917 1.00 0.00 O ATOM 986 CB LYS A 68 -2.114 5.637 6.856 1.00 0.00 C ATOM 987 CG LYS A 68 -3.332 5.987 6.018 1.00 0.00 C ATOM 988 CD LYS A 68 -4.109 7.146 6.622 1.00 0.00 C ATOM 989 CE LYS A 68 -5.544 7.175 6.120 1.00 0.00 C ATOM 990 NZ LYS A 68 -6.357 8.204 6.826 1.00 0.00 N ATOM 0 H LYS A 68 -3.297 3.515 7.279 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.280 4.247 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.394 5.642 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.358 6.410 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.017 6.246 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.981 5.115 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.104 7.062 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.616 8.086 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.550 7.379 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.998 6.194 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.329 8.193 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.372 7.996 7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.938 9.143 6.671 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.268 3.294 8.352 1.00 0.00 N ATOM 1005 CA GLY A 69 0.911 3.038 9.159 1.00 0.00 C ATOM 1006 C GLY A 69 1.653 1.791 8.721 1.00 0.00 C ATOM 1007 O GLY A 69 2.883 1.782 8.657 1.00 0.00 O ATOM 0 H GLY A 69 -1.117 2.829 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.581 3.896 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.617 2.934 10.204 1.00 0.00 H new ATOM 1011 N VAL A 70 0.906 0.734 8.420 1.00 0.00 N ATOM 1012 CA VAL A 70 1.501 -0.524 7.986 1.00 0.00 C ATOM 1013 C VAL A 70 2.092 -0.399 6.587 1.00 0.00 C ATOM 1014 O VAL A 70 3.186 -0.897 6.318 1.00 0.00 O ATOM 1015 CB VAL A 70 0.467 -1.666 7.994 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.036 -1.922 9.407 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.689 -1.345 7.059 1.00 0.00 C ATOM 0 H VAL A 70 -0.113 0.724 8.469 1.00 0.00 H new ATOM 0 HA VAL A 70 2.296 -0.758 8.694 1.00 0.00 H new ATOM 0 HB VAL A 70 0.953 -2.574 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.765 -2.732 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.802 -2.200 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.505 -1.018 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.410 -2.163 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.175 -0.425 7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.312 -1.217 6.044 1.00 0.00 H new ATOM 1027 N ILE A 71 1.363 0.269 5.699 1.00 0.00 N ATOM 1028 CA ILE A 71 1.817 0.461 4.328 1.00 0.00 C ATOM 1029 C ILE A 71 2.826 1.600 4.237 1.00 0.00 C ATOM 1030 O ILE A 71 2.562 2.714 4.691 1.00 0.00 O ATOM 1031 CB ILE A 71 0.638 0.756 3.381 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.382 -0.383 3.430 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.140 0.965 1.960 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.664 -0.078 2.688 1.00 0.00 C ATOM 0 H ILE A 71 0.455 0.686 5.905 1.00 0.00 H new ATOM 0 HA ILE A 71 2.295 -0.469 4.021 1.00 0.00 H new ATOM 0 HB ILE A 71 0.147 1.672 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.068 -1.281 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.618 -0.604 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.296 1.172 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.832 1.807 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.653 0.065 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.340 -0.929 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.137 0.802 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.440 0.114 1.639 1.00 0.00 H new ATOM 1046 N ARG A 72 3.981 1.315 3.645 1.00 0.00 N ATOM 1047 CA ARG A 72 5.030 2.316 3.493 1.00 0.00 C ATOM 1048 C ARG A 72 5.274 2.629 2.020 1.00 0.00 C ATOM 1049 O ARG A 72 5.385 1.723 1.193 1.00 0.00 O ATOM 1050 CB ARG A 72 6.326 1.831 4.144 1.00 0.00 C ATOM 1051 CG ARG A 72 6.164 1.434 5.603 1.00 0.00 C ATOM 1052 CD ARG A 72 7.490 1.015 6.217 1.00 0.00 C ATOM 1053 NE ARG A 72 7.791 -0.391 5.964 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.596 -1.120 6.729 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.178 -0.577 7.790 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.821 -2.394 6.434 1.00 0.00 N ATOM 0 H ARG A 72 4.214 0.399 3.263 1.00 0.00 H new ATOM 0 HA ARG A 72 4.701 3.228 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.706 0.977 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.076 2.619 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.750 2.271 6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.450 0.614 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.289 1.635 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.464 1.192 7.292 1.00 0.00 H new ATOM 0 HE ARG A 72 7.359 -0.838 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.008 0.402 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.796 -1.139 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.376 -2.815 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.439 -2.952 7.023 1.00 0.00 H new ATOM 1070 N CYS A 73 5.356 3.915 1.699 1.00 0.00 N ATOM 1071 CA CYS A 73 5.586 4.348 0.325 1.00 0.00 C ATOM 1072 C CYS A 73 6.947 5.023 0.188 1.00 0.00 C ATOM 1073 O CYS A 73 7.167 6.111 0.718 1.00 0.00 O ATOM 1074 CB CYS A 73 4.481 5.306 -0.121 1.00 0.00 C ATOM 1075 SG CYS A 73 4.796 6.107 -1.711 1.00 0.00 S ATOM 0 H CYS A 73 5.267 4.677 2.372 1.00 0.00 H new ATOM 0 HA CYS A 73 5.572 3.466 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.542 4.757 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.351 6.074 0.641 1.00 0.00 H new ATOM 0 HG CYS A 73 6.078 6.194 -1.906 1.00 0.00 H new ATOM 1081 N ASN A 74 7.857 4.368 -0.525 1.00 0.00 N ATOM 1082 CA ASN A 74 9.198 4.904 -0.729 1.00 0.00 C ATOM 1083 C ASN A 74 9.953 5.001 0.593 1.00 0.00 C ATOM 1084 O ASN A 74 10.779 5.892 0.784 1.00 0.00 O ATOM 1085 CB ASN A 74 9.123 6.282 -1.389 1.00 0.00 C ATOM 1086 CG ASN A 74 8.430 6.242 -2.737 1.00 0.00 C ATOM 1087 OD1 ASN A 74 7.305 6.718 -2.884 1.00 0.00 O ATOM 1088 ND2 ASN A 74 9.102 5.670 -3.730 1.00 0.00 N ATOM 0 H ASN A 74 7.691 3.466 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 74 9.739 4.222 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.591 6.968 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.131 6.677 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.687 5.613 -4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.033 5.288 -3.562 1.00 0.00 H new ATOM 1095 N GLY A 75 9.664 4.075 1.503 1.00 0.00 N ATOM 1096 CA GLY A 75 10.324 4.073 2.795 1.00 0.00 C ATOM 1097 C GLY A 75 9.627 4.965 3.803 1.00 0.00 C ATOM 1098 O GLY A 75 9.947 4.937 4.991 1.00 0.00 O ATOM 0 H GLY A 75 8.984 3.326 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.360 3.054 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.355 4.404 2.673 1.00 0.00 H new ATOM 1102 N GLU A 76 8.672 5.759 3.329 1.00 0.00 N ATOM 1103 CA GLU A 76 7.930 6.665 4.198 1.00 0.00 C ATOM 1104 C GLU A 76 6.459 6.265 4.272 1.00 0.00 C ATOM 1105 O GLU A 76 5.795 6.106 3.247 1.00 0.00 O ATOM 1106 CB GLU A 76 8.054 8.105 3.696 1.00 0.00 C ATOM 1107 CG GLU A 76 9.433 8.707 3.908 1.00 0.00 C ATOM 1108 CD GLU A 76 10.394 8.375 2.783 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.059 8.661 1.614 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.480 7.830 3.070 1.00 0.00 O ATOM 0 H GLU A 76 8.394 5.793 2.348 1.00 0.00 H new ATOM 0 HA GLU A 76 8.357 6.599 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.815 8.132 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.315 8.723 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.343 9.790 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.843 8.343 4.850 1.00 0.00 H new ATOM 1117 N THR A 77 5.956 6.103 5.492 1.00 0.00 N ATOM 1118 CA THR A 77 4.566 5.720 5.701 1.00 0.00 C ATOM 1119 C THR A 77 3.616 6.743 5.087 1.00 0.00 C ATOM 1120 O THR A 77 3.866 7.947 5.140 1.00 0.00 O ATOM 1121 CB THR A 77 4.243 5.571 7.199 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.500 6.804 7.881 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.072 4.459 7.823 1.00 0.00 C ATOM 0 H THR A 77 6.492 6.231 6.351 1.00 0.00 H new ATOM 0 HA THR A 77 4.426 4.757 5.210 1.00 0.00 H new ATOM 0 HB THR A 77 3.188 5.315 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.290 6.701 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.827 4.372 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.853 3.516 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.132 4.690 7.714 1.00 0.00 H new ATOM 1131 N LEU A 78 2.525 6.256 4.507 1.00 0.00 N ATOM 1132 CA LEU A 78 1.536 7.129 3.883 1.00 0.00 C ATOM 1133 C LEU A 78 1.251 8.342 4.762 1.00 0.00 C ATOM 1134 O LEU A 78 1.243 9.478 4.286 1.00 0.00 O ATOM 1135 CB LEU A 78 0.240 6.359 3.620 1.00 0.00 C ATOM 1136 CG LEU A 78 0.409 5.055 2.840 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.902 4.287 2.790 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.916 5.338 1.434 1.00 0.00 C ATOM 0 H LEU A 78 2.302 5.262 4.456 1.00 0.00 H new ATOM 0 HA LEU A 78 1.942 7.478 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.231 6.134 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.444 7.006 3.072 1.00 0.00 H new ATOM 0 HG LEU A 78 1.146 4.440 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.761 3.362 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.225 4.052 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.662 4.895 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.031 4.399 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.202 5.974 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.880 5.845 1.490 1.00 0.00 H new ATOM 1150 N ARG A 79 1.016 8.094 6.046 1.00 0.00 N ATOM 1151 CA ARG A 79 0.728 9.165 6.991 1.00 0.00 C ATOM 1152 C ARG A 79 1.793 10.256 6.917 1.00 0.00 C ATOM 1153 O ARG A 79 1.480 11.447 6.944 1.00 0.00 O ATOM 1154 CB ARG A 79 0.649 8.611 8.415 1.00 0.00 C ATOM 1155 CG ARG A 79 0.546 9.687 9.483 1.00 0.00 C ATOM 1156 CD ARG A 79 1.919 10.106 9.986 1.00 0.00 C ATOM 1157 NE ARG A 79 2.535 9.076 10.817 1.00 0.00 N ATOM 1158 CZ ARG A 79 2.298 8.941 12.117 1.00 0.00 C ATOM 1159 NH1 ARG A 79 1.461 9.767 12.731 1.00 0.00 N ATOM 1160 NH2 ARG A 79 2.897 7.978 12.806 1.00 0.00 N ATOM 0 H ARG A 79 1.019 7.160 6.456 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.235 9.601 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.215 7.951 8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.532 8.003 8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.025 10.555 9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.051 9.318 10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.566 10.321 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.829 11.029 10.559 1.00 0.00 H new ATOM 0 HE ARG A 79 3.183 8.424 10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.998 10.508 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.281 9.661 13.729 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.540 7.340 12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.714 7.876 13.804 1.00 0.00 H new ATOM 1174 N HIS A 80 3.052 9.841 6.825 1.00 0.00 N ATOM 1175 CA HIS A 80 4.164 10.783 6.747 1.00 0.00 C ATOM 1176 C HIS A 80 4.042 11.665 5.509 1.00 0.00 C ATOM 1177 O HIS A 80 4.119 12.890 5.598 1.00 0.00 O ATOM 1178 CB HIS A 80 5.495 10.032 6.724 1.00 0.00 C ATOM 1179 CG HIS A 80 6.677 10.898 7.030 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.252 10.973 8.282 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.395 11.729 6.238 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.270 11.814 8.247 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.379 12.286 7.018 1.00 0.00 N ATOM 0 H HIS A 80 3.328 8.859 6.803 1.00 0.00 H new ATOM 0 HA HIS A 80 4.131 11.421 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.455 9.217 7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.631 9.580 5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.226 11.919 5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.905 12.072 9.081 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.080 12.955 6.700 1.00 0.00 H new ATOM 1192 N LEU A 81 3.853 11.035 4.355 1.00 0.00 N ATOM 1193 CA LEU A 81 3.721 11.763 3.098 1.00 0.00 C ATOM 1194 C LEU A 81 2.533 12.718 3.144 1.00 0.00 C ATOM 1195 O LEU A 81 2.623 13.858 2.691 1.00 0.00 O ATOM 1196 CB LEU A 81 3.559 10.784 1.932 1.00 0.00 C ATOM 1197 CG LEU A 81 4.690 9.766 1.781 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.265 8.628 0.866 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.945 10.440 1.248 1.00 0.00 C ATOM 0 H LEU A 81 3.788 10.021 4.264 1.00 0.00 H new ATOM 0 HA LEU A 81 4.628 12.348 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.620 10.245 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.478 11.355 1.007 1.00 0.00 H new ATOM 0 HG LEU A 81 4.913 9.351 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.082 7.913 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.393 8.128 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.014 9.026 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.740 9.701 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.735 10.883 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.261 11.220 1.941 1.00 0.00 H new ATOM 1211 N GLU A 82 1.420 12.243 3.695 1.00 0.00 N ATOM 1212 CA GLU A 82 0.213 13.054 3.799 1.00 0.00 C ATOM 1213 C GLU A 82 0.492 14.348 4.558 1.00 0.00 C ATOM 1214 O GLU A 82 0.047 15.423 4.157 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.898 12.269 4.498 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.173 13.069 4.704 1.00 0.00 C ATOM 1217 CD GLU A 82 -3.070 12.473 5.771 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -3.173 11.230 5.832 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.669 13.248 6.545 1.00 0.00 O ATOM 0 H GLU A 82 1.330 11.301 4.076 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.112 13.307 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.128 11.380 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.534 11.926 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.915 14.091 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.720 13.122 3.763 1.00 0.00 H new ATOM 1226 N GLN A 83 1.231 14.235 5.657 1.00 0.00 N ATOM 1227 CA GLN A 83 1.567 15.395 6.473 1.00 0.00 C ATOM 1228 C GLN A 83 2.292 16.452 5.646 1.00 0.00 C ATOM 1229 O GLN A 83 2.108 17.651 5.851 1.00 0.00 O ATOM 1230 CB GLN A 83 2.436 14.976 7.660 1.00 0.00 C ATOM 1231 CG GLN A 83 1.681 14.189 8.719 1.00 0.00 C ATOM 1232 CD GLN A 83 2.546 13.841 9.915 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.772 13.940 9.859 1.00 0.00 O ATOM 1234 NE2 GLN A 83 1.910 13.431 11.006 1.00 0.00 N ATOM 0 H GLN A 83 1.608 13.352 6.002 1.00 0.00 H new ATOM 0 HA GLN A 83 0.638 15.826 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.268 14.373 7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.865 15.867 8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.821 14.770 9.054 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.293 13.271 8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.892 13.364 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.439 13.183 11.842 1.00 0.00 H new ATOM 1243 N LYS A 84 3.118 15.998 4.709 1.00 0.00 N ATOM 1244 CA LYS A 84 3.870 16.902 3.848 1.00 0.00 C ATOM 1245 C LYS A 84 3.027 17.350 2.659 1.00 0.00 C ATOM 1246 O LYS A 84 3.545 17.910 1.693 1.00 0.00 O ATOM 1247 CB LYS A 84 5.149 16.222 3.353 1.00 0.00 C ATOM 1248 CG LYS A 84 6.177 15.991 4.446 1.00 0.00 C ATOM 1249 CD LYS A 84 7.082 14.814 4.121 1.00 0.00 C ATOM 1250 CE LYS A 84 8.145 15.193 3.101 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.230 16.011 3.710 1.00 0.00 N ATOM 0 H LYS A 84 3.283 15.008 4.527 1.00 0.00 H new ATOM 0 HA LYS A 84 4.136 17.782 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.890 15.264 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.596 16.834 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.780 16.890 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.668 15.809 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.562 14.460 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.483 13.989 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.572 14.288 2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.684 15.750 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.014 16.106 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.862 16.954 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.573 15.545 4.574 1.00 0.00 H new ATOM 1265 N GLY A 85 1.723 17.100 2.736 1.00 0.00 N ATOM 1266 CA GLY A 85 0.829 17.486 1.660 1.00 0.00 C ATOM 1267 C GLY A 85 1.172 16.805 0.349 1.00 0.00 C ATOM 1268 O GLY A 85 1.008 17.388 -0.722 1.00 0.00 O ATOM 0 H GLY A 85 1.270 16.637 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.196 17.239 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.871 18.567 1.526 1.00 0.00 H new ATOM 1272 N LEU A 86 1.651 15.569 0.434 1.00 0.00 N ATOM 1273 CA LEU A 86 2.021 14.809 -0.755 1.00 0.00 C ATOM 1274 C LEU A 86 1.012 13.697 -1.024 1.00 0.00 C ATOM 1275 O LEU A 86 0.743 13.354 -2.175 1.00 0.00 O ATOM 1276 CB LEU A 86 3.422 14.215 -0.591 1.00 0.00 C ATOM 1277 CG LEU A 86 4.483 15.192 -0.084 1.00 0.00 C ATOM 1278 CD1 LEU A 86 5.712 14.440 0.403 1.00 0.00 C ATOM 1279 CD2 LEU A 86 4.860 16.182 -1.175 1.00 0.00 C ATOM 0 H LEU A 86 1.792 15.072 1.313 1.00 0.00 H new ATOM 0 HA LEU A 86 2.021 15.490 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.365 13.374 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.746 13.817 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 86 4.066 15.748 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.456 15.152 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.431 13.771 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.131 13.858 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.616 16.870 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.258 15.642 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.977 16.744 -1.477 1.00 0.00 H new ATOM 1291 N LEU A 87 0.459 13.136 0.046 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.520 12.062 -0.074 1.00 0.00 C ATOM 1293 C LEU A 87 -1.860 12.477 0.526 1.00 0.00 C ATOM 1294 O LEU A 87 -2.007 12.560 1.746 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.007 10.797 0.618 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.512 9.483 0.021 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.441 8.345 0.353 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.912 9.172 0.527 1.00 0.00 C ATOM 0 H LEU A 87 0.672 13.407 1.006 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.667 11.854 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.082 10.799 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.293 10.835 1.669 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.554 9.590 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.065 7.418 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.427 8.564 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.515 8.236 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.256 8.234 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.895 9.084 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.590 9.975 0.239 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.834 12.736 -0.339 1.00 0.00 N ATOM 1311 CA PHE A 88 -4.162 13.143 0.104 1.00 0.00 C ATOM 1312 C PHE A 88 -4.731 12.144 1.107 1.00 0.00 C ATOM 1313 O PHE A 88 -5.416 12.523 2.057 1.00 0.00 O ATOM 1314 CB PHE A 88 -5.106 13.274 -1.093 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.715 11.970 -1.522 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.911 10.892 -1.858 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -7.091 11.822 -1.589 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.469 9.690 -2.252 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.654 10.622 -1.983 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.842 9.556 -2.316 1.00 0.00 C ATOM 0 H PHE A 88 -2.729 12.671 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.072 14.112 0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.904 13.973 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.558 13.704 -1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.837 10.992 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.731 12.653 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.832 8.857 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.728 10.519 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.280 8.619 -2.626 1.00 0.00 H new ATOM 1330 N SER A 89 -4.442 10.865 0.888 1.00 0.00 N ATOM 1331 CA SER A 89 -4.928 9.810 1.770 1.00 0.00 C ATOM 1332 C SER A 89 -6.437 9.916 1.964 1.00 0.00 C ATOM 1333 O SER A 89 -6.942 9.789 3.079 1.00 0.00 O ATOM 1334 CB SER A 89 -4.222 9.883 3.125 1.00 0.00 C ATOM 1335 OG SER A 89 -4.175 8.609 3.744 1.00 0.00 O ATOM 0 H SER A 89 -3.874 10.534 0.108 1.00 0.00 H new ATOM 0 HA SER A 89 -4.706 8.850 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.209 10.263 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.744 10.587 3.773 1.00 0.00 H new ATOM 0 HG SER A 89 -3.303 8.486 4.173 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.154 10.151 0.869 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.598 10.271 0.939 1.00 0.00 C ATOM 1343 C GLY A 90 -9.041 11.518 1.678 1.00 0.00 C ATOM 1344 O GLY A 90 -8.255 12.434 1.921 1.00 0.00 O ATOM 0 H GLY A 90 -6.760 10.260 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.008 10.286 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.009 9.392 1.436 1.00 0.00 H new ATOM 1348 N PRO A 91 -10.330 11.565 2.048 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.905 12.705 2.769 1.00 0.00 C ATOM 1350 C PRO A 91 -10.389 12.807 4.200 1.00 0.00 C ATOM 1351 O PRO A 91 -9.709 11.905 4.690 1.00 0.00 O ATOM 1352 CB PRO A 91 -12.407 12.407 2.762 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.499 10.926 2.634 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.324 10.509 1.792 1.00 0.00 C ATOM 0 HA PRO A 91 -10.642 13.655 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.884 12.755 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.906 12.908 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.467 10.447 3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.438 10.632 2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.951 9.527 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.587 10.452 0.736 1.00 0.00 H new ATOM 1362 N SER A 92 -10.717 13.910 4.865 1.00 0.00 N ATOM 1363 CA SER A 92 -10.283 14.130 6.240 1.00 0.00 C ATOM 1364 C SER A 92 -11.481 14.338 7.161 1.00 0.00 C ATOM 1365 O SER A 92 -12.129 15.384 7.128 1.00 0.00 O ATOM 1366 CB SER A 92 -9.352 15.342 6.315 1.00 0.00 C ATOM 1367 OG SER A 92 -8.011 14.973 6.042 1.00 0.00 O ATOM 0 H SER A 92 -11.281 14.665 4.475 1.00 0.00 H new ATOM 0 HA SER A 92 -9.742 13.243 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.677 16.099 5.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.414 15.791 7.306 1.00 0.00 H new ATOM 0 HG SER A 92 -7.437 15.765 6.094 1.00 0.00 H new ATOM 1373 N SER A 93 -11.769 13.333 7.982 1.00 0.00 N ATOM 1374 CA SER A 93 -12.892 13.403 8.910 1.00 0.00 C ATOM 1375 C SER A 93 -12.573 14.331 10.079 1.00 0.00 C ATOM 1376 O SER A 93 -13.373 15.194 10.436 1.00 0.00 O ATOM 1377 CB SER A 93 -13.237 12.007 9.432 1.00 0.00 C ATOM 1378 OG SER A 93 -14.004 11.284 8.485 1.00 0.00 O ATOM 0 H SER A 93 -11.241 12.461 8.024 1.00 0.00 H new ATOM 0 HA SER A 93 -13.751 13.805 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.320 11.462 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.792 12.091 10.366 1.00 0.00 H new ATOM 0 HG SER A 93 -14.210 10.395 8.841 1.00 0.00 H new ATOM 1384 N GLY A 94 -11.398 14.144 10.671 1.00 0.00 N ATOM 1385 CA GLY A 94 -10.993 14.970 11.794 1.00 0.00 C ATOM 1386 C GLY A 94 -11.787 14.671 13.050 1.00 0.00 C ATOM 1387 O GLY A 94 -13.018 14.668 13.028 1.00 0.00 O ATOM 0 H GLY A 94 -10.719 13.435 10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.933 14.813 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.116 16.021 11.531 1.00 0.00 H new TER 1391 GLY A 94