USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1072 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 78 MET CE :methyl 167:sc= 0 (180deg=-0.295) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.5!) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.00952 X(o=-0.023,f=-0.043) USER MOD Set 2.2: A 57 THR OG1 : rot 120:sc= -0.0322 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 11 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -157:sc= -0.143 (180deg=-0.786) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 9 SER OG : rot 140:sc= 1.2 USER MOD Single : A 10 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 127:sc= -0.86 (180deg=-1.04) USER MOD Single : A 16 MET CE :methyl -165:sc= 0 (180deg=-0.383) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0436 (180deg=-0.302) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 10:sc= 0.103 USER MOD Single : A 35 ASN : amide:sc= 0.362 K(o=0.36,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -130:sc= 1.29 USER MOD Single : A 43 MET CE :methyl -159:sc= -0.187 (180deg=-0.842) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= -0.0426 (180deg=-1.16) USER MOD Single : A 67 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.67) USER MOD Single : A 69 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3.9!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.93! C(o=-3.8!,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -125:sc= 0.312 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -144:sc= 0 (180deg=-0.833) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.5 F(o=-4.2!,f=-1.5) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 99 LYS NZ :NH3+ -143:sc= -1.87 (180deg=-3.45!) USER MOD Single : A 100 SER OG : rot 76:sc= 0.0592 USER MOD Single : A 104 ASN : amide:sc= -1.83! C(o=-1.8!,f=-5.4!) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= -0.0476 (180deg=-0.284) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -179:sc= 0.191 (180deg=0.191) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -140:sc= -0.188 (180deg=-2.47!) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= -0.0047 (180deg=-0.208) USER MOD Single : A 120 LYS NZ :NH3+ 168:sc= 1.29 (180deg=0.95) USER MOD Single : A 123 HIS :FLIP no HD1:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 1.18 K(o=1.2,f=-2.5!) USER MOD Single : A 130 ASN : amide:sc= -0.0254 K(o=-0.025,f=-0.66) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.096 -16.290 -3.980 1.00 0.00 N ATOM 2 CA SER A 1 -5.638 -15.904 -2.664 1.00 0.00 C ATOM 3 C SER A 1 -6.048 -14.437 -2.657 1.00 0.00 C ATOM 4 O SER A 1 -5.209 -13.553 -2.483 1.00 0.00 O ATOM 5 CB SER A 1 -4.596 -16.159 -1.573 1.00 0.00 C ATOM 6 OG SER A 1 -4.261 -17.534 -1.496 1.00 0.00 O ATOM 0 H1 SER A 1 -4.823 -17.293 -3.962 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.821 -16.141 -4.711 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.262 -15.708 -4.196 1.00 0.00 H new ATOM 0 HA SER A 1 -6.522 -16.510 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.699 -15.574 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.982 -15.822 -0.611 1.00 0.00 H new ATOM 0 HG SER A 1 -3.592 -17.669 -0.792 1.00 0.00 H new ATOM 14 N PRO A 2 -7.349 -14.154 -2.854 1.00 0.00 N ATOM 15 CA PRO A 2 -7.869 -12.784 -2.820 1.00 0.00 C ATOM 16 C PRO A 2 -7.697 -12.148 -1.443 1.00 0.00 C ATOM 17 O PRO A 2 -7.695 -10.927 -1.312 1.00 0.00 O ATOM 18 CB PRO A 2 -9.356 -12.944 -3.159 1.00 0.00 C ATOM 19 CG PRO A 2 -9.674 -14.373 -2.872 1.00 0.00 C ATOM 20 CD PRO A 2 -8.410 -15.143 -3.126 1.00 0.00 C ATOM 0 HA PRO A 2 -7.340 -12.129 -3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.971 -12.276 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.550 -12.700 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.006 -14.498 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.481 -14.728 -3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.329 -16.010 -2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.363 -15.512 -4.151 1.00 0.00 H new ATOM 28 N GLU A 3 -7.547 -12.999 -0.429 1.00 0.00 N ATOM 29 CA GLU A 3 -7.343 -12.565 0.953 1.00 0.00 C ATOM 30 C GLU A 3 -6.230 -11.524 1.066 1.00 0.00 C ATOM 31 O GLU A 3 -6.494 -10.357 1.345 1.00 0.00 O ATOM 32 CB GLU A 3 -6.995 -13.760 1.851 1.00 0.00 C ATOM 33 CG GLU A 3 -8.126 -14.761 2.042 1.00 0.00 C ATOM 34 CD GLU A 3 -8.565 -15.416 0.751 1.00 0.00 C ATOM 35 OE1 GLU A 3 -7.692 -15.906 0.001 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.780 -15.417 0.469 1.00 0.00 O ATOM 0 H GLU A 3 -7.564 -14.012 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.279 -12.113 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.136 -14.279 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.690 -13.386 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.806 -15.532 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.979 -14.254 2.493 1.00 0.00 H new ATOM 43 N ILE A 4 -4.986 -11.949 0.845 1.00 0.00 N ATOM 44 CA ILE A 4 -3.845 -11.063 1.005 1.00 0.00 C ATOM 45 C ILE A 4 -3.691 -10.121 -0.198 1.00 0.00 C ATOM 46 O ILE A 4 -2.946 -9.143 -0.147 1.00 0.00 O ATOM 47 CB ILE A 4 -2.545 -11.878 1.224 1.00 0.00 C ATOM 48 CG1 ILE A 4 -1.397 -10.972 1.684 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.157 -12.632 -0.043 1.00 0.00 C ATOM 50 CD1 ILE A 4 -1.652 -10.302 3.016 1.00 0.00 C ATOM 0 H ILE A 4 -4.749 -12.898 0.556 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.026 -10.450 1.888 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.738 -12.607 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.484 -11.563 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.225 -10.206 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.242 -13.196 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.958 -13.318 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.993 -11.922 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.798 -9.677 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.547 -9.684 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.795 -11.062 3.784 1.00 0.00 H new ATOM 62 N MET A 5 -4.409 -10.418 -1.277 1.00 0.00 N ATOM 63 CA MET A 5 -4.372 -9.595 -2.478 1.00 0.00 C ATOM 64 C MET A 5 -5.249 -8.359 -2.319 1.00 0.00 C ATOM 65 O MET A 5 -5.063 -7.355 -3.009 1.00 0.00 O ATOM 66 CB MET A 5 -4.828 -10.414 -3.688 1.00 0.00 C ATOM 67 CG MET A 5 -3.743 -11.315 -4.257 1.00 0.00 C ATOM 68 SD MET A 5 -2.359 -10.384 -4.945 1.00 0.00 S ATOM 69 CE MET A 5 -3.185 -9.483 -6.260 1.00 0.00 C ATOM 0 H MET A 5 -5.026 -11.227 -1.342 1.00 0.00 H new ATOM 0 HA MET A 5 -3.345 -9.265 -2.636 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.683 -11.026 -3.401 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.170 -9.734 -4.468 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.377 -11.977 -3.472 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.172 -11.948 -5.033 1.00 0.00 H new ATOM 0 HE1 MET A 5 -2.456 -9.195 -7.017 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.947 -10.117 -6.713 1.00 0.00 H new ATOM 0 HE3 MET A 5 -3.655 -8.589 -5.849 1.00 0.00 H new ATOM 79 N LYS A 6 -6.200 -8.441 -1.402 1.00 0.00 N ATOM 80 CA LYS A 6 -7.112 -7.343 -1.143 1.00 0.00 C ATOM 81 C LYS A 6 -6.526 -6.419 -0.083 1.00 0.00 C ATOM 82 O LYS A 6 -6.517 -6.749 1.103 1.00 0.00 O ATOM 83 CB LYS A 6 -8.468 -7.895 -0.691 1.00 0.00 C ATOM 84 CG LYS A 6 -9.546 -6.842 -0.499 1.00 0.00 C ATOM 85 CD LYS A 6 -10.859 -7.488 -0.082 1.00 0.00 C ATOM 86 CE LYS A 6 -11.961 -6.459 0.106 1.00 0.00 C ATOM 87 NZ LYS A 6 -13.245 -7.093 0.504 1.00 0.00 N ATOM 0 H LYS A 6 -6.359 -9.264 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.257 -6.768 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.814 -8.621 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.332 -8.433 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.231 -6.125 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.687 -6.285 -1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.163 -8.212 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.714 -8.039 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.660 -5.739 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.102 -5.903 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.972 -6.359 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.545 -7.762 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.117 -7.602 1.402 1.00 0.00 H new ATOM 101 N ASN A 7 -6.015 -5.272 -0.519 1.00 0.00 N ATOM 102 CA ASN A 7 -5.402 -4.311 0.394 1.00 0.00 C ATOM 103 C ASN A 7 -6.419 -3.794 1.402 1.00 0.00 C ATOM 104 O ASN A 7 -7.555 -3.466 1.040 1.00 0.00 O ATOM 105 CB ASN A 7 -4.808 -3.125 -0.376 1.00 0.00 C ATOM 106 CG ASN A 7 -3.715 -3.534 -1.345 1.00 0.00 C ATOM 107 OD1 ASN A 7 -3.985 -3.838 -2.504 1.00 0.00 O ATOM 108 ND2 ASN A 7 -2.475 -3.538 -0.879 1.00 0.00 N ATOM 0 H ASN A 7 -6.013 -4.985 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.603 -4.830 0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.603 -2.621 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.405 -2.403 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.701 -3.800 -1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.294 -3.279 0.091 1.00 0.00 H new ATOM 115 N LEU A 8 -6.004 -3.717 2.660 1.00 0.00 N ATOM 116 CA LEU A 8 -6.860 -3.213 3.727 1.00 0.00 C ATOM 117 C LEU A 8 -7.360 -1.808 3.404 1.00 0.00 C ATOM 118 O LEU A 8 -8.535 -1.508 3.582 1.00 0.00 O ATOM 119 CB LEU A 8 -6.128 -3.215 5.081 1.00 0.00 C ATOM 120 CG LEU A 8 -4.848 -2.371 5.167 1.00 0.00 C ATOM 121 CD1 LEU A 8 -4.539 -2.035 6.616 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.667 -3.108 4.551 1.00 0.00 C ATOM 0 H LEU A 8 -5.073 -3.999 2.968 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.717 -3.882 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.821 -2.863 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.875 -4.245 5.331 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.013 -1.450 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.629 -1.436 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.368 -1.471 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.398 -2.956 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.773 -2.489 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.504 -4.045 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.877 -3.319 3.502 1.00 0.00 H new ATOM 134 N SER A 9 -6.467 -0.963 2.897 1.00 0.00 N ATOM 135 CA SER A 9 -6.819 0.410 2.546 1.00 0.00 C ATOM 136 C SER A 9 -7.896 0.448 1.461 1.00 0.00 C ATOM 137 O SER A 9 -8.717 1.366 1.422 1.00 0.00 O ATOM 138 CB SER A 9 -5.567 1.160 2.089 1.00 0.00 C ATOM 139 OG SER A 9 -4.580 1.161 3.110 1.00 0.00 O ATOM 0 H SER A 9 -5.492 -1.205 2.720 1.00 0.00 H new ATOM 0 HA SER A 9 -7.228 0.899 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.166 0.693 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.827 2.186 1.827 1.00 0.00 H new ATOM 0 HG SER A 9 -3.695 1.030 2.710 1.00 0.00 H new ATOM 145 N ASN A 10 -7.902 -0.564 0.600 1.00 0.00 N ATOM 146 CA ASN A 10 -8.894 -0.661 -0.467 1.00 0.00 C ATOM 147 C ASN A 10 -10.242 -1.083 0.108 1.00 0.00 C ATOM 148 O ASN A 10 -11.295 -0.698 -0.401 1.00 0.00 O ATOM 149 CB ASN A 10 -8.430 -1.660 -1.533 1.00 0.00 C ATOM 150 CG ASN A 10 -9.433 -1.841 -2.660 1.00 0.00 C ATOM 151 OD1 ASN A 10 -9.432 -1.094 -3.637 1.00 0.00 O ATOM 152 ND2 ASN A 10 -10.282 -2.851 -2.543 1.00 0.00 N ATOM 0 H ASN A 10 -7.230 -1.331 0.620 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.005 0.317 -0.935 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.481 -1.322 -1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.245 -2.625 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.965 -3.031 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.252 -3.449 -1.717 1.00 0.00 H new ATOM 159 N ASN A 11 -10.199 -1.877 1.172 1.00 0.00 N ATOM 160 CA ASN A 11 -11.415 -2.291 1.866 1.00 0.00 C ATOM 161 C ASN A 11 -11.956 -1.140 2.711 1.00 0.00 C ATOM 162 O ASN A 11 -13.148 -0.836 2.662 1.00 0.00 O ATOM 163 CB ASN A 11 -11.150 -3.526 2.735 1.00 0.00 C ATOM 164 CG ASN A 11 -12.371 -3.949 3.534 1.00 0.00 C ATOM 165 OD1 ASN A 11 -13.255 -4.634 3.023 1.00 0.00 O ATOM 166 ND2 ASN A 11 -12.408 -3.577 4.804 1.00 0.00 N ATOM 0 H ASN A 11 -9.337 -2.247 1.573 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.166 -2.558 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.832 -4.352 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.328 -3.315 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.190 -3.859 5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.655 -3.008 5.191 1.00 0.00 H new ATOM 173 N PHE A 12 -11.074 -0.530 3.504 1.00 0.00 N ATOM 174 CA PHE A 12 -11.408 0.687 4.251 1.00 0.00 C ATOM 175 C PHE A 12 -12.124 1.740 3.392 1.00 0.00 C ATOM 176 O PHE A 12 -13.334 1.927 3.531 1.00 0.00 O ATOM 177 CB PHE A 12 -10.154 1.311 4.873 1.00 0.00 C ATOM 178 CG PHE A 12 -9.701 0.637 6.138 1.00 0.00 C ATOM 179 CD1 PHE A 12 -10.503 0.653 7.269 1.00 0.00 C ATOM 180 CD2 PHE A 12 -8.475 -0.007 6.201 1.00 0.00 C ATOM 181 CE1 PHE A 12 -10.090 0.038 8.436 1.00 0.00 C ATOM 182 CE2 PHE A 12 -8.059 -0.622 7.365 1.00 0.00 C ATOM 183 CZ PHE A 12 -8.868 -0.599 8.484 1.00 0.00 C ATOM 0 H PHE A 12 -10.119 -0.859 3.647 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.096 0.375 5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.344 1.277 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.350 2.363 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.461 1.151 7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.838 -0.028 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.724 0.056 9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.102 -1.121 7.400 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.544 -1.079 9.395 1.00 0.00 H new ATOM 193 N GLY A 13 -11.389 2.421 2.503 1.00 0.00 N ATOM 194 CA GLY A 13 -11.967 3.530 1.770 1.00 0.00 C ATOM 195 C GLY A 13 -12.539 4.603 2.685 1.00 0.00 C ATOM 196 O GLY A 13 -13.652 5.073 2.469 1.00 0.00 O ATOM 0 H GLY A 13 -10.413 2.221 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.205 3.973 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.756 3.157 1.117 1.00 0.00 H new ATOM 200 N LYS A 14 -11.784 4.988 3.714 1.00 0.00 N ATOM 201 CA LYS A 14 -12.245 5.996 4.661 1.00 0.00 C ATOM 202 C LYS A 14 -12.345 7.363 3.997 1.00 0.00 C ATOM 203 O LYS A 14 -13.427 7.938 3.909 1.00 0.00 O ATOM 204 CB LYS A 14 -11.307 6.075 5.868 1.00 0.00 C ATOM 205 CG LYS A 14 -11.737 7.112 6.895 1.00 0.00 C ATOM 206 CD LYS A 14 -10.819 7.130 8.104 1.00 0.00 C ATOM 207 CE LYS A 14 -11.250 8.192 9.102 1.00 0.00 C ATOM 208 NZ LYS A 14 -10.388 8.208 10.311 1.00 0.00 N ATOM 0 H LYS A 14 -10.854 4.617 3.910 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.237 5.700 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.259 5.097 6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.300 6.311 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.746 8.099 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.757 6.902 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.825 6.151 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.795 7.321 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.220 9.171 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.284 8.013 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.032 9.172 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.942 7.903 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.586 7.561 10.174 1.00 0.00 H new ATOM 222 N ALA A 15 -11.214 7.872 3.528 1.00 0.00 N ATOM 223 CA ALA A 15 -11.166 9.178 2.895 1.00 0.00 C ATOM 224 C ALA A 15 -10.079 9.216 1.830 1.00 0.00 C ATOM 225 O ALA A 15 -8.892 9.316 2.146 1.00 0.00 O ATOM 226 CB ALA A 15 -10.934 10.264 3.936 1.00 0.00 C ATOM 0 H ALA A 15 -10.314 7.395 3.576 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.125 9.363 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.901 11.237 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.747 10.251 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.988 10.082 4.447 1.00 0.00 H new ATOM 232 N MET A 16 -10.487 9.125 0.571 1.00 0.00 N ATOM 233 CA MET A 16 -9.544 9.150 -0.542 1.00 0.00 C ATOM 234 C MET A 16 -8.954 10.545 -0.699 1.00 0.00 C ATOM 235 O MET A 16 -7.839 10.714 -1.198 1.00 0.00 O ATOM 236 CB MET A 16 -10.230 8.724 -1.845 1.00 0.00 C ATOM 237 CG MET A 16 -10.723 7.284 -1.844 1.00 0.00 C ATOM 238 SD MET A 16 -9.398 6.090 -1.580 1.00 0.00 S ATOM 239 CE MET A 16 -10.309 4.550 -1.688 1.00 0.00 C ATOM 0 H MET A 16 -11.464 9.033 0.294 1.00 0.00 H new ATOM 0 HA MET A 16 -8.742 8.445 -0.326 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.075 9.386 -2.032 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.532 8.857 -2.671 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.475 7.163 -1.064 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.212 7.072 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.701 3.739 -1.289 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.230 4.631 -1.111 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.551 4.343 -2.730 1.00 0.00 H new ATOM 249 N ASP A 17 -9.708 11.538 -0.236 1.00 0.00 N ATOM 250 CA ASP A 17 -9.311 12.940 -0.339 1.00 0.00 C ATOM 251 C ASP A 17 -8.003 13.212 0.392 1.00 0.00 C ATOM 252 O ASP A 17 -7.197 14.043 -0.034 1.00 0.00 O ATOM 253 CB ASP A 17 -10.413 13.837 0.232 1.00 0.00 C ATOM 254 CG ASP A 17 -10.058 15.309 0.180 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.268 15.935 -0.882 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.573 15.849 1.199 1.00 0.00 O ATOM 0 H ASP A 17 -10.609 11.395 0.220 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.159 13.163 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.335 13.671 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.608 13.551 1.266 1.00 0.00 H new ATOM 261 N GLN A 18 -7.760 12.467 1.456 1.00 0.00 N ATOM 262 CA GLN A 18 -6.645 12.782 2.336 1.00 0.00 C ATOM 263 C GLN A 18 -5.375 12.088 1.870 1.00 0.00 C ATOM 264 O GLN A 18 -4.273 12.569 2.121 1.00 0.00 O ATOM 265 CB GLN A 18 -6.968 12.438 3.792 1.00 0.00 C ATOM 266 CG GLN A 18 -7.524 13.622 4.586 1.00 0.00 C ATOM 267 CD GLN A 18 -7.855 13.264 6.020 1.00 0.00 C ATOM 268 OE1 GLN A 18 -7.197 12.421 6.636 1.00 0.00 O ATOM 269 NE2 GLN A 18 -8.881 13.896 6.564 1.00 0.00 N ATOM 0 H GLN A 18 -8.309 11.652 1.730 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.475 13.858 2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.692 11.623 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.064 12.074 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.796 14.433 4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.422 13.995 4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.400 14.587 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.153 13.693 7.526 1.00 0.00 H new ATOM 278 N CYS A 19 -5.526 10.978 1.163 1.00 0.00 N ATOM 279 CA CYS A 19 -4.378 10.326 0.553 1.00 0.00 C ATOM 280 C CYS A 19 -3.919 11.121 -0.658 1.00 0.00 C ATOM 281 O CYS A 19 -2.725 11.229 -0.934 1.00 0.00 O ATOM 282 CB CYS A 19 -4.696 8.880 0.175 1.00 0.00 C ATOM 283 SG CYS A 19 -4.904 7.810 1.626 1.00 0.00 S ATOM 0 H CYS A 19 -6.420 10.515 0.999 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.568 10.297 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.607 8.856 -0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.894 8.487 -0.450 1.00 0.00 H new ATOM 288 N LYS A 20 -4.879 11.713 -1.354 1.00 0.00 N ATOM 289 CA LYS A 20 -4.586 12.564 -2.488 1.00 0.00 C ATOM 290 C LYS A 20 -3.766 13.766 -2.036 1.00 0.00 C ATOM 291 O LYS A 20 -2.739 14.092 -2.632 1.00 0.00 O ATOM 292 CB LYS A 20 -5.897 13.016 -3.136 1.00 0.00 C ATOM 293 CG LYS A 20 -5.732 14.004 -4.280 1.00 0.00 C ATOM 294 CD LYS A 20 -4.846 13.461 -5.389 1.00 0.00 C ATOM 295 CE LYS A 20 -4.714 14.472 -6.515 1.00 0.00 C ATOM 296 NZ LYS A 20 -4.113 15.751 -6.045 1.00 0.00 N ATOM 0 H LYS A 20 -5.873 11.616 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.003 12.008 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.426 12.137 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.528 13.469 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.712 14.250 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.304 14.931 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.860 13.223 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.266 12.532 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.098 14.052 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.697 14.668 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.837 16.327 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.809 16.272 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.273 15.548 -5.466 1.00 0.00 H new ATOM 310 N ASP A 21 -4.213 14.393 -0.958 1.00 0.00 N ATOM 311 CA ASP A 21 -3.575 15.610 -0.464 1.00 0.00 C ATOM 312 C ASP A 21 -2.257 15.331 0.269 1.00 0.00 C ATOM 313 O ASP A 21 -1.246 15.967 -0.023 1.00 0.00 O ATOM 314 CB ASP A 21 -4.530 16.384 0.450 1.00 0.00 C ATOM 315 CG ASP A 21 -4.007 17.767 0.789 1.00 0.00 C ATOM 316 OD1 ASP A 21 -4.082 18.659 -0.086 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.529 17.973 1.924 1.00 0.00 O ATOM 0 H ASP A 21 -5.013 14.082 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.336 16.216 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.501 16.474 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.685 15.821 1.370 1.00 0.00 H new ATOM 322 N GLU A 22 -2.253 14.369 1.192 1.00 0.00 N ATOM 323 CA GLU A 22 -1.068 14.108 2.023 1.00 0.00 C ATOM 324 C GLU A 22 0.094 13.546 1.208 1.00 0.00 C ATOM 325 O GLU A 22 1.258 13.788 1.526 1.00 0.00 O ATOM 326 CB GLU A 22 -1.404 13.153 3.172 1.00 0.00 C ATOM 327 CG GLU A 22 -2.012 13.827 4.383 1.00 0.00 C ATOM 328 CD GLU A 22 -1.016 14.646 5.183 1.00 0.00 C ATOM 329 OE1 GLU A 22 0.206 14.411 5.061 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.457 15.492 5.982 1.00 0.00 O ATOM 0 H GLU A 22 -3.048 13.760 1.385 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.757 15.068 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.096 12.394 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.494 12.636 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.826 14.475 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.449 13.067 5.031 1.00 0.00 H new ATOM 337 N LEU A 23 -0.215 12.780 0.171 1.00 0.00 N ATOM 338 CA LEU A 23 0.825 12.199 -0.668 1.00 0.00 C ATOM 339 C LEU A 23 1.192 13.144 -1.798 1.00 0.00 C ATOM 340 O LEU A 23 2.243 12.996 -2.425 1.00 0.00 O ATOM 341 CB LEU A 23 0.377 10.873 -1.282 1.00 0.00 C ATOM 342 CG LEU A 23 0.400 9.647 -0.369 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.809 9.344 0.102 1.00 0.00 C ATOM 344 CD2 LEU A 23 -0.522 9.846 0.811 1.00 0.00 C ATOM 0 H LEU A 23 -1.168 12.548 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 23 1.688 12.026 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.639 10.998 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.011 10.666 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 23 0.046 8.792 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.796 8.467 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.447 9.148 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.199 10.198 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.492 8.963 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.200 10.717 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.540 10.002 0.455 1.00 0.00 H new ATOM 356 N SER A 24 0.310 14.109 -2.051 1.00 0.00 N ATOM 357 CA SER A 24 0.418 14.965 -3.225 1.00 0.00 C ATOM 358 C SER A 24 0.339 14.087 -4.473 1.00 0.00 C ATOM 359 O SER A 24 0.997 14.341 -5.486 1.00 0.00 O ATOM 360 CB SER A 24 1.729 15.758 -3.187 1.00 0.00 C ATOM 361 OG SER A 24 1.844 16.497 -1.979 1.00 0.00 O ATOM 0 H SER A 24 -0.490 14.316 -1.454 1.00 0.00 H new ATOM 0 HA SER A 24 -0.399 15.687 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.574 15.075 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.772 16.437 -4.038 1.00 0.00 H new ATOM 0 HG SER A 24 2.689 16.993 -1.978 1.00 0.00 H new ATOM 367 N LEU A 25 -0.497 13.052 -4.369 1.00 0.00 N ATOM 368 CA LEU A 25 -0.609 12.007 -5.377 1.00 0.00 C ATOM 369 C LEU A 25 -0.958 12.577 -6.747 1.00 0.00 C ATOM 370 O LEU A 25 -1.977 13.249 -6.907 1.00 0.00 O ATOM 371 CB LEU A 25 -1.696 11.022 -4.947 1.00 0.00 C ATOM 372 CG LEU A 25 -1.303 9.546 -4.945 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.103 9.305 -4.062 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.472 8.709 -4.466 1.00 0.00 C ATOM 0 H LEU A 25 -1.120 12.918 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 25 0.356 11.507 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.025 11.291 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.554 11.148 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.039 9.258 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.155 8.246 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.741 9.890 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.337 9.605 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.190 7.656 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.746 9.012 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.322 8.856 -5.132 1.00 0.00 H new ATOM 386 N PRO A 26 -0.110 12.326 -7.751 1.00 0.00 N ATOM 387 CA PRO A 26 -0.395 12.696 -9.137 1.00 0.00 C ATOM 388 C PRO A 26 -1.539 11.856 -9.698 1.00 0.00 C ATOM 389 O PRO A 26 -1.787 10.740 -9.231 1.00 0.00 O ATOM 390 CB PRO A 26 0.917 12.391 -9.878 1.00 0.00 C ATOM 391 CG PRO A 26 1.942 12.220 -8.806 1.00 0.00 C ATOM 392 CD PRO A 26 1.199 11.675 -7.624 1.00 0.00 C ATOM 0 HA PRO A 26 -0.705 13.736 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.827 11.489 -10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.186 13.203 -10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.731 11.537 -9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.420 13.170 -8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.118 10.589 -7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.689 11.927 -6.684 1.00 0.00 H new ATOM 400 N ASP A 27 -2.226 12.376 -10.705 1.00 0.00 N ATOM 401 CA ASP A 27 -3.391 11.693 -11.255 1.00 0.00 C ATOM 402 C ASP A 27 -2.994 10.444 -12.030 1.00 0.00 C ATOM 403 O ASP A 27 -3.807 9.540 -12.217 1.00 0.00 O ATOM 404 CB ASP A 27 -4.244 12.629 -12.110 1.00 0.00 C ATOM 405 CG ASP A 27 -3.508 13.261 -13.280 1.00 0.00 C ATOM 406 OD1 ASP A 27 -2.327 12.931 -13.514 1.00 0.00 O ATOM 407 OD2 ASP A 27 -4.114 14.105 -13.975 1.00 0.00 O ATOM 0 H ASP A 27 -2.000 13.262 -11.156 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.003 11.375 -10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.099 12.072 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.639 13.422 -11.475 1.00 0.00 H new ATOM 412 N SER A 28 -1.739 10.384 -12.452 1.00 0.00 N ATOM 413 CA SER A 28 -1.203 9.186 -13.075 1.00 0.00 C ATOM 414 C SER A 28 -1.145 8.050 -12.053 1.00 0.00 C ATOM 415 O SER A 28 -1.429 6.893 -12.366 1.00 0.00 O ATOM 416 CB SER A 28 0.197 9.467 -13.621 1.00 0.00 C ATOM 417 OG SER A 28 0.246 10.736 -14.253 1.00 0.00 O ATOM 0 H SER A 28 -1.073 11.153 -12.373 1.00 0.00 H new ATOM 0 HA SER A 28 -1.854 8.891 -13.898 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.923 9.432 -12.809 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.477 8.690 -14.333 1.00 0.00 H new ATOM 0 HG SER A 28 1.151 10.897 -14.594 1.00 0.00 H new ATOM 423 N VAL A 29 -0.808 8.405 -10.817 1.00 0.00 N ATOM 424 CA VAL A 29 -0.665 7.426 -9.747 1.00 0.00 C ATOM 425 C VAL A 29 -2.027 6.919 -9.289 1.00 0.00 C ATOM 426 O VAL A 29 -2.252 5.712 -9.241 1.00 0.00 O ATOM 427 CB VAL A 29 0.109 8.010 -8.546 1.00 0.00 C ATOM 428 CG1 VAL A 29 0.287 6.973 -7.443 1.00 0.00 C ATOM 429 CG2 VAL A 29 1.460 8.533 -9.004 1.00 0.00 C ATOM 0 H VAL A 29 -0.628 9.368 -10.532 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.093 6.590 -10.149 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.473 8.835 -8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.836 7.416 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.691 6.640 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.844 6.120 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.000 8.943 -8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.037 7.718 -9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.314 9.314 -9.750 1.00 0.00 H new ATOM 439 N VAL A 30 -2.946 7.839 -8.973 1.00 0.00 N ATOM 440 CA VAL A 30 -4.293 7.444 -8.554 1.00 0.00 C ATOM 441 C VAL A 30 -4.970 6.583 -9.627 1.00 0.00 C ATOM 442 O VAL A 30 -5.677 5.624 -9.316 1.00 0.00 O ATOM 443 CB VAL A 30 -5.200 8.659 -8.216 1.00 0.00 C ATOM 444 CG1 VAL A 30 -4.637 9.455 -7.051 1.00 0.00 C ATOM 445 CG2 VAL A 30 -5.400 9.562 -9.421 1.00 0.00 C ATOM 0 H VAL A 30 -2.785 8.846 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.167 6.862 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.173 8.261 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.292 10.299 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.570 8.815 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.644 9.823 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.040 10.400 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.434 9.938 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.870 8.996 -10.226 1.00 0.00 H new ATOM 455 N ALA A 31 -4.709 6.907 -10.891 1.00 0.00 N ATOM 456 CA ALA A 31 -5.317 6.198 -12.010 1.00 0.00 C ATOM 457 C ALA A 31 -4.854 4.750 -12.078 1.00 0.00 C ATOM 458 O ALA A 31 -5.673 3.833 -12.140 1.00 0.00 O ATOM 459 CB ALA A 31 -4.982 6.900 -13.311 1.00 0.00 C ATOM 0 H ALA A 31 -4.077 7.660 -11.165 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.396 6.200 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.440 6.364 -14.142 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.364 7.920 -13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.900 6.921 -13.445 1.00 0.00 H new ATOM 465 N ASP A 32 -3.541 4.547 -12.056 1.00 0.00 N ATOM 466 CA ASP A 32 -2.981 3.205 -12.188 1.00 0.00 C ATOM 467 C ASP A 32 -3.208 2.415 -10.911 1.00 0.00 C ATOM 468 O ASP A 32 -3.254 1.188 -10.923 1.00 0.00 O ATOM 469 CB ASP A 32 -1.490 3.268 -12.514 1.00 0.00 C ATOM 470 CG ASP A 32 -1.071 2.179 -13.483 1.00 0.00 C ATOM 471 OD1 ASP A 32 -1.119 2.426 -14.709 1.00 0.00 O ATOM 472 OD2 ASP A 32 -0.689 1.081 -13.035 1.00 0.00 O ATOM 0 H ASP A 32 -2.848 5.288 -11.949 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.489 2.701 -13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.254 4.243 -12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.914 3.175 -11.593 1.00 0.00 H new ATOM 477 N LEU A 33 -3.349 3.138 -9.810 1.00 0.00 N ATOM 478 CA LEU A 33 -3.696 2.544 -8.533 1.00 0.00 C ATOM 479 C LEU A 33 -5.003 1.762 -8.647 1.00 0.00 C ATOM 480 O LEU A 33 -5.074 0.592 -8.275 1.00 0.00 O ATOM 481 CB LEU A 33 -3.837 3.651 -7.489 1.00 0.00 C ATOM 482 CG LEU A 33 -3.775 3.206 -6.035 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.393 2.660 -5.717 1.00 0.00 C ATOM 484 CD2 LEU A 33 -4.111 4.371 -5.123 1.00 0.00 C ATOM 0 H LEU A 33 -3.226 4.150 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.909 1.853 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.049 4.385 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.787 4.159 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.506 2.414 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.358 2.344 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.181 1.807 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.647 3.437 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.065 4.045 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.394 5.177 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.116 4.730 -5.346 1.00 0.00 H new ATOM 496 N TYR A 34 -6.038 2.421 -9.158 1.00 0.00 N ATOM 497 CA TYR A 34 -7.340 1.776 -9.362 1.00 0.00 C ATOM 498 C TYR A 34 -7.382 0.804 -10.565 1.00 0.00 C ATOM 499 O TYR A 34 -8.467 0.357 -10.941 1.00 0.00 O ATOM 500 CB TYR A 34 -8.432 2.836 -9.518 1.00 0.00 C ATOM 501 CG TYR A 34 -8.603 3.711 -8.299 1.00 0.00 C ATOM 502 CD1 TYR A 34 -8.955 3.165 -7.072 1.00 0.00 C ATOM 503 CD2 TYR A 34 -8.405 5.081 -8.376 1.00 0.00 C ATOM 504 CE1 TYR A 34 -9.107 3.964 -5.954 1.00 0.00 C ATOM 505 CE2 TYR A 34 -8.551 5.885 -7.265 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.903 5.323 -6.057 1.00 0.00 C ATOM 507 OH TYR A 34 -9.047 6.124 -4.948 1.00 0.00 O ATOM 0 H TYR A 34 -6.005 3.401 -9.440 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.516 1.171 -8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.196 3.465 -10.376 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.379 2.341 -9.736 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.113 2.100 -6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.132 5.526 -9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.384 3.526 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.390 6.950 -7.341 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.137 5.564 -4.149 1.00 0.00 H new ATOM 517 N ASN A 35 -6.234 0.476 -11.171 1.00 0.00 N ATOM 518 CA ASN A 35 -6.218 -0.352 -12.378 1.00 0.00 C ATOM 519 C ASN A 35 -6.722 -1.762 -12.086 1.00 0.00 C ATOM 520 O ASN A 35 -6.229 -2.444 -11.185 1.00 0.00 O ATOM 521 CB ASN A 35 -4.806 -0.405 -12.968 1.00 0.00 C ATOM 522 CG ASN A 35 -4.707 -1.285 -14.201 1.00 0.00 C ATOM 523 OD1 ASN A 35 -5.668 -1.446 -14.954 1.00 0.00 O ATOM 524 ND2 ASN A 35 -3.533 -1.856 -14.414 1.00 0.00 N ATOM 0 H ASN A 35 -5.313 0.770 -10.847 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.889 0.102 -13.107 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.488 0.606 -13.224 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.116 -0.774 -12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.398 -2.456 -15.228 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.763 -1.696 -13.765 1.00 0.00 H new ATOM 531 N PHE A 36 -7.712 -2.191 -12.854 1.00 0.00 N ATOM 532 CA PHE A 36 -8.325 -3.496 -12.665 1.00 0.00 C ATOM 533 C PHE A 36 -7.514 -4.595 -13.347 1.00 0.00 C ATOM 534 O PHE A 36 -7.419 -5.715 -12.843 1.00 0.00 O ATOM 535 CB PHE A 36 -9.757 -3.483 -13.209 1.00 0.00 C ATOM 536 CG PHE A 36 -10.420 -4.834 -13.218 1.00 0.00 C ATOM 537 CD1 PHE A 36 -10.941 -5.373 -12.053 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.515 -5.568 -14.391 1.00 0.00 C ATOM 539 CE1 PHE A 36 -11.546 -6.615 -12.059 1.00 0.00 C ATOM 540 CE2 PHE A 36 -11.117 -6.809 -14.401 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.633 -7.333 -13.234 1.00 0.00 C ATOM 0 H PHE A 36 -8.110 -1.649 -13.620 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.346 -3.709 -11.596 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.357 -2.799 -12.608 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.745 -3.088 -14.225 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.873 -4.816 -11.130 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.113 -5.163 -15.308 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.951 -7.024 -11.145 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.184 -7.370 -15.322 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.105 -8.305 -13.240 1.00 0.00 H new ATOM 551 N TRP A 37 -6.923 -4.267 -14.485 1.00 0.00 N ATOM 552 CA TRP A 37 -6.220 -5.254 -15.287 1.00 0.00 C ATOM 553 C TRP A 37 -4.905 -5.653 -14.632 1.00 0.00 C ATOM 554 O TRP A 37 -4.139 -4.806 -14.172 1.00 0.00 O ATOM 555 CB TRP A 37 -6.001 -4.730 -16.709 1.00 0.00 C ATOM 556 CG TRP A 37 -7.271 -4.688 -17.508 1.00 0.00 C ATOM 557 CD1 TRP A 37 -7.665 -5.582 -18.461 1.00 0.00 C ATOM 558 CD2 TRP A 37 -8.323 -3.717 -17.408 1.00 0.00 C ATOM 559 NE1 TRP A 37 -8.893 -5.225 -18.960 1.00 0.00 N ATOM 560 CE2 TRP A 37 -9.318 -4.086 -18.332 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.522 -2.571 -16.630 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -10.490 -3.355 -18.496 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -9.686 -1.848 -16.795 1.00 0.00 C ATOM 564 CH2 TRP A 37 -10.657 -2.241 -17.721 1.00 0.00 C ATOM 0 H TRP A 37 -6.917 -3.324 -14.874 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.837 -6.150 -15.350 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.572 -3.729 -16.662 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.276 -5.364 -17.219 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.095 -6.443 -18.776 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.407 -5.728 -19.683 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.778 -2.258 -15.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -11.242 -3.657 -19.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.850 -0.963 -16.198 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.557 -1.653 -17.826 1.00 0.00 H new ATOM 575 N LYS A 38 -4.656 -6.955 -14.595 1.00 0.00 N ATOM 576 CA LYS A 38 -3.508 -7.507 -13.886 1.00 0.00 C ATOM 577 C LYS A 38 -2.205 -7.331 -14.669 1.00 0.00 C ATOM 578 O LYS A 38 -1.633 -8.298 -15.174 1.00 0.00 O ATOM 579 CB LYS A 38 -3.740 -8.987 -13.561 1.00 0.00 C ATOM 580 CG LYS A 38 -4.130 -9.833 -14.768 1.00 0.00 C ATOM 581 CD LYS A 38 -4.301 -11.296 -14.396 1.00 0.00 C ATOM 582 CE LYS A 38 -4.654 -12.131 -15.614 1.00 0.00 C ATOM 583 NZ LYS A 38 -4.711 -13.581 -15.300 1.00 0.00 N ATOM 0 H LYS A 38 -5.240 -7.655 -15.052 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.405 -6.949 -12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.832 -9.398 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.524 -9.064 -12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.060 -9.454 -15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.366 -9.740 -15.540 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.381 -11.671 -13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.084 -11.394 -13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.618 -11.808 -16.008 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.916 -11.959 -16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.955 -14.113 -16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.784 -13.897 -14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.434 -13.750 -14.571 1.00 0.00 H new ATOM 597 N ASP A 39 -1.778 -6.081 -14.802 1.00 0.00 N ATOM 598 CA ASP A 39 -0.459 -5.758 -15.365 1.00 0.00 C ATOM 599 C ASP A 39 0.673 -6.657 -14.833 1.00 0.00 C ATOM 600 O ASP A 39 1.395 -7.255 -15.631 1.00 0.00 O ATOM 601 CB ASP A 39 -0.106 -4.294 -15.109 1.00 0.00 C ATOM 602 CG ASP A 39 -0.500 -3.397 -16.263 1.00 0.00 C ATOM 603 OD1 ASP A 39 -1.641 -2.894 -16.270 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.339 -3.188 -17.169 1.00 0.00 O ATOM 0 H ASP A 39 -2.325 -5.265 -14.528 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.541 -5.943 -16.436 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.606 -3.955 -14.202 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.966 -4.207 -14.934 1.00 0.00 H new ATOM 609 N ASP A 40 0.840 -6.738 -13.499 1.00 0.00 N ATOM 610 CA ASP A 40 1.920 -7.514 -12.887 1.00 0.00 C ATOM 611 C ASP A 40 3.268 -6.911 -13.260 1.00 0.00 C ATOM 612 O ASP A 40 4.018 -7.455 -14.071 1.00 0.00 O ATOM 613 CB ASP A 40 1.855 -9.003 -13.272 1.00 0.00 C ATOM 614 CG ASP A 40 2.903 -9.840 -12.559 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.837 -9.948 -11.316 1.00 0.00 O ATOM 616 OD2 ASP A 40 3.794 -10.397 -13.236 1.00 0.00 O ATOM 0 H ASP A 40 0.233 -6.270 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 40 1.796 -7.465 -11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.864 -9.392 -13.037 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.989 -9.102 -14.349 1.00 0.00 H new ATOM 621 N TYR A 41 3.536 -5.744 -12.700 1.00 0.00 N ATOM 622 CA TYR A 41 4.753 -5.011 -12.970 1.00 0.00 C ATOM 623 C TYR A 41 5.471 -4.687 -11.666 1.00 0.00 C ATOM 624 O TYR A 41 4.989 -5.036 -10.586 1.00 0.00 O ATOM 625 CB TYR A 41 4.452 -3.729 -13.763 1.00 0.00 C ATOM 626 CG TYR A 41 3.545 -2.707 -13.085 1.00 0.00 C ATOM 627 CD1 TYR A 41 3.141 -2.829 -11.757 1.00 0.00 C ATOM 628 CD2 TYR A 41 3.107 -1.597 -13.791 1.00 0.00 C ATOM 629 CE1 TYR A 41 2.331 -1.881 -11.164 1.00 0.00 C ATOM 630 CE2 TYR A 41 2.301 -0.643 -13.203 1.00 0.00 C ATOM 631 CZ TYR A 41 1.915 -0.789 -11.890 1.00 0.00 C ATOM 632 OH TYR A 41 1.116 0.162 -11.300 1.00 0.00 O ATOM 0 H TYR A 41 2.910 -5.279 -12.042 1.00 0.00 H new ATOM 0 HA TYR A 41 5.407 -5.635 -13.579 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.399 -3.243 -13.997 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.996 -4.013 -14.711 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.468 -3.682 -11.180 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.403 -1.476 -14.823 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.025 -1.996 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.974 0.215 -13.771 1.00 0.00 H new ATOM 0 HH TYR A 41 0.340 0.337 -11.872 1.00 0.00 H new ATOM 642 N VAL A 42 6.618 -4.040 -11.760 1.00 0.00 N ATOM 643 CA VAL A 42 7.344 -3.629 -10.574 1.00 0.00 C ATOM 644 C VAL A 42 6.782 -2.305 -10.072 1.00 0.00 C ATOM 645 O VAL A 42 6.617 -1.364 -10.848 1.00 0.00 O ATOM 646 CB VAL A 42 8.854 -3.471 -10.861 1.00 0.00 C ATOM 647 CG1 VAL A 42 9.611 -3.074 -9.599 1.00 0.00 C ATOM 648 CG2 VAL A 42 9.423 -4.754 -11.451 1.00 0.00 C ATOM 0 H VAL A 42 7.065 -3.789 -12.642 1.00 0.00 H new ATOM 0 HA VAL A 42 7.223 -4.403 -9.816 1.00 0.00 H new ATOM 0 HB VAL A 42 8.979 -2.672 -11.592 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.671 -2.969 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.225 -2.125 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.479 -3.843 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.487 -4.624 -11.647 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.281 -5.573 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.908 -4.985 -12.384 1.00 0.00 H new ATOM 658 N MET A 43 6.450 -2.247 -8.791 1.00 0.00 N ATOM 659 CA MET A 43 5.952 -1.017 -8.195 1.00 0.00 C ATOM 660 C MET A 43 7.067 0.020 -8.152 1.00 0.00 C ATOM 661 O MET A 43 7.865 0.060 -7.218 1.00 0.00 O ATOM 662 CB MET A 43 5.396 -1.285 -6.793 1.00 0.00 C ATOM 663 CG MET A 43 4.812 -0.057 -6.112 1.00 0.00 C ATOM 664 SD MET A 43 4.055 -0.443 -4.521 1.00 0.00 S ATOM 665 CE MET A 43 2.731 -1.541 -5.026 1.00 0.00 C ATOM 0 H MET A 43 6.516 -3.035 -8.146 1.00 0.00 H new ATOM 0 HA MET A 43 5.138 -0.628 -8.806 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.624 -2.052 -6.860 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.193 -1.689 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.599 0.682 -5.966 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.066 0.396 -6.765 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.966 -1.569 -4.250 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.292 -1.179 -5.956 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.129 -2.544 -5.179 1.00 0.00 H new ATOM 675 N THR A 44 7.130 0.833 -9.192 1.00 0.00 N ATOM 676 CA THR A 44 8.210 1.785 -9.355 1.00 0.00 C ATOM 677 C THR A 44 7.857 3.140 -8.749 1.00 0.00 C ATOM 678 O THR A 44 8.730 3.846 -8.243 1.00 0.00 O ATOM 679 CB THR A 44 8.559 1.954 -10.844 1.00 0.00 C ATOM 680 OG1 THR A 44 7.389 2.346 -11.573 1.00 0.00 O ATOM 681 CG2 THR A 44 9.100 0.656 -11.430 1.00 0.00 C ATOM 0 H THR A 44 6.438 0.851 -9.941 1.00 0.00 H new ATOM 0 HA THR A 44 9.077 1.391 -8.825 1.00 0.00 H new ATOM 0 HB THR A 44 9.327 2.723 -10.927 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.615 2.454 -12.520 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.338 0.804 -12.483 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.001 0.362 -10.892 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.348 -0.127 -11.335 1.00 0.00 H new ATOM 689 N ASP A 45 6.578 3.497 -8.796 1.00 0.00 N ATOM 690 CA ASP A 45 6.122 4.762 -8.233 1.00 0.00 C ATOM 691 C ASP A 45 6.174 4.739 -6.716 1.00 0.00 C ATOM 692 O ASP A 45 5.641 3.834 -6.068 1.00 0.00 O ATOM 693 CB ASP A 45 4.713 5.101 -8.689 1.00 0.00 C ATOM 694 CG ASP A 45 4.169 6.288 -7.931 1.00 0.00 C ATOM 695 OD1 ASP A 45 4.823 7.353 -7.932 1.00 0.00 O ATOM 696 OD2 ASP A 45 3.124 6.140 -7.289 1.00 0.00 O ATOM 0 H ASP A 45 5.841 2.930 -9.217 1.00 0.00 H new ATOM 0 HA ASP A 45 6.800 5.533 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.715 5.317 -9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.062 4.240 -8.539 1.00 0.00 H new ATOM 701 N ARG A 46 6.787 5.771 -6.157 1.00 0.00 N ATOM 702 CA ARG A 46 7.010 5.842 -4.722 1.00 0.00 C ATOM 703 C ARG A 46 5.695 6.183 -4.023 1.00 0.00 C ATOM 704 O ARG A 46 5.508 5.888 -2.836 1.00 0.00 O ATOM 705 CB ARG A 46 8.115 6.866 -4.352 1.00 0.00 C ATOM 706 CG ARG A 46 9.509 6.569 -4.921 1.00 0.00 C ATOM 707 CD ARG A 46 9.536 6.624 -6.440 1.00 0.00 C ATOM 708 NE ARG A 46 10.897 6.631 -6.976 1.00 0.00 N ATOM 709 CZ ARG A 46 11.655 5.543 -7.131 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.192 4.347 -6.780 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.873 5.651 -7.644 1.00 0.00 N ATOM 0 H ARG A 46 7.140 6.574 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 46 7.362 4.868 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.803 7.851 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.189 6.918 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.223 7.289 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.832 5.582 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.995 5.767 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.011 7.518 -6.777 1.00 0.00 H new ATOM 0 HE ARG A 46 11.294 7.529 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.254 4.258 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.775 3.519 -6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.231 6.565 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.452 4.820 -7.762 1.00 0.00 H new ATOM 725 N LEU A 47 4.760 6.760 -4.781 1.00 0.00 N ATOM 726 CA LEU A 47 3.495 7.189 -4.228 1.00 0.00 C ATOM 727 C LEU A 47 2.574 5.998 -4.048 1.00 0.00 C ATOM 728 O LEU A 47 1.593 6.073 -3.309 1.00 0.00 O ATOM 729 CB LEU A 47 2.829 8.247 -5.127 1.00 0.00 C ATOM 730 CG LEU A 47 3.364 9.671 -4.997 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.414 10.077 -3.535 1.00 0.00 C ATOM 732 CD2 LEU A 47 4.725 9.801 -5.658 1.00 0.00 C ATOM 0 H LEU A 47 4.865 6.937 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 47 3.684 7.643 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.938 7.933 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.761 8.260 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 47 2.686 10.350 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.797 11.094 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.411 10.031 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.070 9.397 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.085 10.824 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.428 9.118 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.641 9.554 -6.716 1.00 0.00 H new ATOM 744 N ALA A 48 2.910 4.884 -4.692 1.00 0.00 N ATOM 745 CA ALA A 48 2.070 3.712 -4.638 1.00 0.00 C ATOM 746 C ALA A 48 2.335 2.967 -3.346 1.00 0.00 C ATOM 747 O ALA A 48 1.446 2.812 -2.508 1.00 0.00 O ATOM 748 CB ALA A 48 2.335 2.822 -5.838 1.00 0.00 C ATOM 0 H ALA A 48 3.756 4.777 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 48 1.022 4.011 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.695 1.941 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.120 3.373 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.380 2.512 -5.837 1.00 0.00 H new ATOM 754 N GLY A 49 3.577 2.505 -3.211 1.00 0.00 N ATOM 755 CA GLY A 49 4.064 1.976 -1.943 1.00 0.00 C ATOM 756 C GLY A 49 3.631 2.778 -0.713 1.00 0.00 C ATOM 757 O GLY A 49 3.156 2.193 0.258 1.00 0.00 O ATOM 0 H GLY A 49 4.263 2.487 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.714 0.950 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.153 1.940 -1.973 1.00 0.00 H new ATOM 761 N CYS A 50 3.780 4.111 -0.732 1.00 0.00 N ATOM 762 CA CYS A 50 3.382 4.920 0.417 1.00 0.00 C ATOM 763 C CYS A 50 1.865 4.902 0.627 1.00 0.00 C ATOM 764 O CYS A 50 1.394 4.763 1.758 1.00 0.00 O ATOM 765 CB CYS A 50 3.887 6.362 0.268 1.00 0.00 C ATOM 766 SG CYS A 50 5.618 6.622 0.794 1.00 0.00 S ATOM 0 H CYS A 50 4.166 4.638 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 50 3.842 4.478 1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.790 6.661 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.242 7.021 0.849 1.00 0.00 H new ATOM 771 N ALA A 51 1.104 5.012 -0.460 1.00 0.00 N ATOM 772 CA ALA A 51 -0.358 5.041 -0.380 1.00 0.00 C ATOM 773 C ALA A 51 -0.939 3.721 0.114 1.00 0.00 C ATOM 774 O ALA A 51 -2.088 3.678 0.561 1.00 0.00 O ATOM 775 CB ALA A 51 -0.962 5.408 -1.727 1.00 0.00 C ATOM 0 H ALA A 51 1.474 5.083 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.619 5.806 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.049 5.424 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.606 6.393 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.664 4.670 -2.472 1.00 0.00 H new ATOM 781 N ILE A 52 -0.154 2.651 0.031 1.00 0.00 N ATOM 782 CA ILE A 52 -0.572 1.357 0.562 1.00 0.00 C ATOM 783 C ILE A 52 -0.965 1.490 2.032 1.00 0.00 C ATOM 784 O ILE A 52 -1.964 0.916 2.477 1.00 0.00 O ATOM 785 CB ILE A 52 0.542 0.295 0.422 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.887 0.065 -1.054 1.00 0.00 C ATOM 787 CG2 ILE A 52 0.135 -1.017 1.081 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.282 -0.402 -1.897 1.00 0.00 C ATOM 0 H ILE A 52 0.772 2.654 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.432 1.028 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 52 1.428 0.671 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.276 0.993 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.686 -0.674 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.938 -1.746 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.054 -0.848 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.770 -1.397 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.045 -0.541 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.659 -1.347 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.075 0.346 -1.866 1.00 0.00 H new ATOM 800 N ASN A 53 -0.197 2.281 2.773 1.00 0.00 N ATOM 801 CA ASN A 53 -0.496 2.541 4.173 1.00 0.00 C ATOM 802 C ASN A 53 -0.749 4.023 4.384 1.00 0.00 C ATOM 803 O ASN A 53 0.118 4.751 4.865 1.00 0.00 O ATOM 804 CB ASN A 53 0.640 2.063 5.087 1.00 0.00 C ATOM 805 CG ASN A 53 0.672 0.556 5.240 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.352 -0.145 4.496 1.00 0.00 O ATOM 807 ND2 ASN A 53 -0.069 0.050 6.214 1.00 0.00 N ATOM 0 H ASN A 53 0.638 2.753 2.425 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.394 1.981 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.593 2.403 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.528 2.522 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.089 -0.958 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.620 0.668 6.810 1.00 0.00 H new ATOM 814 N CYS A 54 -1.931 4.471 3.997 1.00 0.00 N ATOM 815 CA CYS A 54 -2.266 5.883 4.089 1.00 0.00 C ATOM 816 C CYS A 54 -3.550 6.123 4.880 1.00 0.00 C ATOM 817 O CYS A 54 -3.576 6.958 5.777 1.00 0.00 O ATOM 818 CB CYS A 54 -2.411 6.473 2.687 1.00 0.00 C ATOM 819 SG CYS A 54 -3.184 8.120 2.657 1.00 0.00 S ATOM 0 H CYS A 54 -2.672 3.881 3.618 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.453 6.376 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.425 6.537 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.005 5.793 2.077 1.00 0.00 H new ATOM 824 N LEU A 55 -4.595 5.358 4.584 1.00 0.00 N ATOM 825 CA LEU A 55 -5.928 5.645 5.126 1.00 0.00 C ATOM 826 C LEU A 55 -5.978 5.447 6.641 1.00 0.00 C ATOM 827 O LEU A 55 -5.957 6.408 7.417 1.00 0.00 O ATOM 828 CB LEU A 55 -7.004 4.773 4.455 1.00 0.00 C ATOM 829 CG LEU A 55 -7.357 5.128 3.002 1.00 0.00 C ATOM 830 CD1 LEU A 55 -6.227 4.759 2.053 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.639 4.427 2.589 1.00 0.00 C ATOM 0 H LEU A 55 -4.551 4.539 3.977 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.135 6.693 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.670 3.736 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.914 4.831 5.053 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.505 6.206 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.508 5.023 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.325 5.302 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.038 3.687 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.879 4.686 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.506 3.348 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.453 4.743 3.242 1.00 0.00 H new ATOM 843 N ALA A 56 -5.998 4.197 7.067 1.00 0.00 N ATOM 844 CA ALA A 56 -6.128 3.896 8.481 1.00 0.00 C ATOM 845 C ALA A 56 -4.775 4.002 9.163 1.00 0.00 C ATOM 846 O ALA A 56 -4.659 3.859 10.378 1.00 0.00 O ATOM 847 CB ALA A 56 -6.730 2.516 8.669 1.00 0.00 C ATOM 0 H ALA A 56 -5.927 3.380 6.460 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.798 4.622 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.823 2.301 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.716 2.483 8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.085 1.771 8.204 1.00 0.00 H new ATOM 853 N THR A 57 -3.752 4.271 8.364 1.00 0.00 N ATOM 854 CA THR A 57 -2.432 4.533 8.891 1.00 0.00 C ATOM 855 C THR A 57 -2.307 6.003 9.310 1.00 0.00 C ATOM 856 O THR A 57 -1.670 6.315 10.316 1.00 0.00 O ATOM 857 CB THR A 57 -1.337 4.131 7.882 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.406 2.717 7.644 1.00 0.00 O ATOM 859 CG2 THR A 57 0.046 4.500 8.393 1.00 0.00 C ATOM 0 H THR A 57 -3.817 4.312 7.347 1.00 0.00 H new ATOM 0 HA THR A 57 -2.287 3.918 9.779 1.00 0.00 H new ATOM 0 HB THR A 57 -1.508 4.674 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.578 2.553 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.796 4.204 7.660 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.100 5.577 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.236 3.984 9.334 1.00 0.00 H new ATOM 867 N LYS A 58 -2.939 6.909 8.563 1.00 0.00 N ATOM 868 CA LYS A 58 -3.011 8.300 8.988 1.00 0.00 C ATOM 869 C LYS A 58 -4.060 8.486 10.077 1.00 0.00 C ATOM 870 O LYS A 58 -4.089 9.522 10.744 1.00 0.00 O ATOM 871 CB LYS A 58 -3.303 9.238 7.818 1.00 0.00 C ATOM 872 CG LYS A 58 -2.065 9.605 7.017 1.00 0.00 C ATOM 873 CD LYS A 58 -1.994 11.108 6.780 1.00 0.00 C ATOM 874 CE LYS A 58 -1.925 11.875 8.097 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.067 13.345 7.908 1.00 0.00 N ATOM 0 H LYS A 58 -3.400 6.706 7.676 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.032 8.558 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.029 8.766 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.764 10.149 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.173 9.274 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.078 9.083 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.118 11.342 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.868 11.431 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.712 11.520 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.974 11.665 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.464 13.769 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.134 13.762 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.702 13.532 7.106 1.00 0.00 H new ATOM 889 N LEU A 59 -4.935 7.497 10.239 1.00 0.00 N ATOM 890 CA LEU A 59 -5.868 7.483 11.346 1.00 0.00 C ATOM 891 C LEU A 59 -5.121 7.357 12.676 1.00 0.00 C ATOM 892 O LEU A 59 -5.112 8.293 13.475 1.00 0.00 O ATOM 893 CB LEU A 59 -6.850 6.331 11.158 1.00 0.00 C ATOM 894 CG LEU A 59 -7.623 5.918 12.401 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.421 7.085 12.967 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.536 4.758 12.071 1.00 0.00 C ATOM 0 H LEU A 59 -5.012 6.696 9.612 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.422 8.421 11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.564 6.609 10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.300 5.465 10.789 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.910 5.606 13.165 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.963 6.759 13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.742 7.895 13.234 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.130 7.438 12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.088 4.464 12.964 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.237 5.057 11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.941 3.915 11.719 1.00 0.00 H new ATOM 908 N ASP A 60 -4.478 6.210 12.893 1.00 0.00 N ATOM 909 CA ASP A 60 -3.726 5.963 14.125 1.00 0.00 C ATOM 910 C ASP A 60 -3.025 4.614 14.052 1.00 0.00 C ATOM 911 O ASP A 60 -3.683 3.585 13.891 1.00 0.00 O ATOM 912 CB ASP A 60 -4.645 6.001 15.353 1.00 0.00 C ATOM 913 CG ASP A 60 -3.896 5.738 16.643 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.817 6.336 16.843 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.396 4.948 17.474 1.00 0.00 O ATOM 0 H ASP A 60 -4.462 5.435 12.230 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.982 6.753 14.226 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.130 6.975 15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.434 5.258 15.236 1.00 0.00 H new ATOM 920 N VAL A 61 -1.696 4.612 14.178 1.00 0.00 N ATOM 921 CA VAL A 61 -0.927 3.376 14.045 1.00 0.00 C ATOM 922 C VAL A 61 0.583 3.621 14.243 1.00 0.00 C ATOM 923 O VAL A 61 1.428 3.081 13.519 1.00 0.00 O ATOM 924 CB VAL A 61 -1.196 2.727 12.662 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.670 3.602 11.543 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.611 1.328 12.574 1.00 0.00 C ATOM 0 H VAL A 61 -1.137 5.443 14.370 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.253 2.693 14.829 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.276 2.638 12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.871 3.125 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.165 4.572 11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.405 3.739 11.663 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.820 0.907 11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.467 1.374 12.727 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.059 0.697 13.341 1.00 0.00 H new ATOM 936 N VAL A 62 0.944 4.413 15.239 1.00 0.00 N ATOM 937 CA VAL A 62 2.355 4.662 15.490 1.00 0.00 C ATOM 938 C VAL A 62 2.818 3.899 16.737 1.00 0.00 C ATOM 939 O VAL A 62 2.240 4.029 17.815 1.00 0.00 O ATOM 940 CB VAL A 62 2.691 6.182 15.588 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.024 6.949 14.460 1.00 0.00 C ATOM 942 CG2 VAL A 62 2.323 6.785 16.939 1.00 0.00 C ATOM 0 H VAL A 62 0.299 4.884 15.873 1.00 0.00 H new ATOM 0 HA VAL A 62 2.909 4.288 14.629 1.00 0.00 H new ATOM 0 HB VAL A 62 3.773 6.271 15.491 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.270 8.008 14.545 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.379 6.570 13.502 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.943 6.821 14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.580 7.844 16.947 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.252 6.670 17.109 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.873 6.272 17.728 1.00 0.00 H new ATOM 952 N ASP A 63 3.816 3.033 16.565 1.00 0.00 N ATOM 953 CA ASP A 63 4.373 2.272 17.680 1.00 0.00 C ATOM 954 C ASP A 63 5.047 3.184 18.711 1.00 0.00 C ATOM 955 O ASP A 63 4.693 3.145 19.889 1.00 0.00 O ATOM 956 CB ASP A 63 5.382 1.239 17.165 1.00 0.00 C ATOM 957 CG ASP A 63 5.452 0.000 18.028 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.490 -0.787 18.025 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.491 -0.204 18.686 1.00 0.00 O ATOM 0 H ASP A 63 4.254 2.842 15.664 1.00 0.00 H new ATOM 0 HA ASP A 63 3.546 1.761 18.173 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.113 0.952 16.148 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.370 1.697 17.116 1.00 0.00 H new ATOM 964 N PRO A 64 6.017 4.028 18.298 1.00 0.00 N ATOM 965 CA PRO A 64 6.829 4.815 19.210 1.00 0.00 C ATOM 966 C PRO A 64 6.331 6.253 19.377 1.00 0.00 C ATOM 967 O PRO A 64 5.129 6.512 19.443 1.00 0.00 O ATOM 968 CB PRO A 64 8.201 4.798 18.507 1.00 0.00 C ATOM 969 CG PRO A 64 7.947 4.276 17.120 1.00 0.00 C ATOM 970 CD PRO A 64 6.458 4.297 16.935 1.00 0.00 C ATOM 0 HA PRO A 64 6.823 4.413 20.223 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.636 5.797 18.475 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.906 4.161 19.041 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.442 4.897 16.373 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.340 3.266 17.006 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.100 5.258 16.565 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.117 3.538 16.231 1.00 0.00 H new ATOM 978 N ASP A 65 7.281 7.181 19.411 1.00 0.00 N ATOM 979 CA ASP A 65 7.020 8.592 19.707 1.00 0.00 C ATOM 980 C ASP A 65 6.285 9.299 18.561 1.00 0.00 C ATOM 981 O ASP A 65 5.847 10.440 18.695 1.00 0.00 O ATOM 982 CB ASP A 65 8.365 9.289 19.978 1.00 0.00 C ATOM 983 CG ASP A 65 8.235 10.775 20.239 1.00 0.00 C ATOM 984 OD1 ASP A 65 7.942 11.158 21.389 1.00 0.00 O ATOM 985 OD2 ASP A 65 8.450 11.570 19.298 1.00 0.00 O ATOM 0 H ASP A 65 8.264 6.977 19.233 1.00 0.00 H new ATOM 0 HA ASP A 65 6.372 8.648 20.581 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.842 8.818 20.837 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.024 9.135 19.123 1.00 0.00 H new ATOM 990 N GLY A 66 6.098 8.598 17.459 1.00 0.00 N ATOM 991 CA GLY A 66 5.608 9.234 16.256 1.00 0.00 C ATOM 992 C GLY A 66 6.312 8.692 15.035 1.00 0.00 C ATOM 993 O GLY A 66 5.684 8.172 14.111 1.00 0.00 O ATOM 0 H GLY A 66 6.277 7.597 17.374 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.534 9.070 16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.761 10.311 16.321 1.00 0.00 H new ATOM 997 N ASN A 67 7.629 8.801 15.053 1.00 0.00 N ATOM 998 CA ASN A 67 8.474 8.326 13.967 1.00 0.00 C ATOM 999 C ASN A 67 8.773 6.841 14.117 1.00 0.00 C ATOM 1000 O ASN A 67 8.808 6.329 15.231 1.00 0.00 O ATOM 1001 CB ASN A 67 9.793 9.106 13.964 1.00 0.00 C ATOM 1002 CG ASN A 67 10.523 9.009 15.296 1.00 0.00 C ATOM 1003 OD1 ASN A 67 10.298 9.815 16.199 1.00 0.00 O ATOM 1004 ND2 ASN A 67 11.408 8.033 15.427 1.00 0.00 N ATOM 0 H ASN A 67 8.146 9.223 15.824 1.00 0.00 H new ATOM 0 HA ASN A 67 7.943 8.482 13.028 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.436 8.725 13.171 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.593 10.153 13.737 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.929 7.931 16.298 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.568 7.383 14.657 1.00 0.00 H new ATOM 1011 N LEU A 68 8.957 6.160 12.986 1.00 0.00 N ATOM 1012 CA LEU A 68 9.462 4.784 12.961 1.00 0.00 C ATOM 1013 C LEU A 68 8.432 3.816 13.550 1.00 0.00 C ATOM 1014 O LEU A 68 8.757 2.954 14.364 1.00 0.00 O ATOM 1015 CB LEU A 68 10.801 4.699 13.718 1.00 0.00 C ATOM 1016 CG LEU A 68 11.878 3.772 13.119 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.454 2.316 13.184 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.196 4.167 11.684 1.00 0.00 C ATOM 0 H LEU A 68 8.761 6.544 12.062 1.00 0.00 H new ATOM 0 HA LEU A 68 9.634 4.492 11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.217 5.704 13.787 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.596 4.369 14.736 1.00 0.00 H new ATOM 0 HG LEU A 68 12.780 3.888 13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.236 1.690 12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.291 2.030 14.223 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.530 2.181 12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.958 3.499 11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.293 4.093 11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.565 5.193 11.662 1.00 0.00 H new ATOM 1030 N HIS A 69 7.185 3.961 13.127 1.00 0.00 N ATOM 1031 CA HIS A 69 6.118 3.083 13.591 1.00 0.00 C ATOM 1032 C HIS A 69 6.205 1.701 12.929 1.00 0.00 C ATOM 1033 O HIS A 69 5.529 1.417 11.946 1.00 0.00 O ATOM 1034 CB HIS A 69 4.737 3.734 13.374 1.00 0.00 C ATOM 1035 CG HIS A 69 4.374 4.032 11.940 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.122 3.781 11.422 1.00 0.00 N ATOM 1037 CD2 HIS A 69 5.098 4.563 10.924 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.094 4.139 10.152 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.279 4.616 9.828 1.00 0.00 N ATOM 0 H HIS A 69 6.886 4.677 12.464 1.00 0.00 H new ATOM 0 HA HIS A 69 6.247 2.934 14.663 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.976 3.077 13.794 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.701 4.665 13.940 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.339 3.381 11.939 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.128 4.884 10.971 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.244 4.055 9.491 1.00 0.00 H new ATOM 1048 N HIS A 70 7.074 0.859 13.469 1.00 0.00 N ATOM 1049 CA HIS A 70 7.345 -0.454 12.894 1.00 0.00 C ATOM 1050 C HIS A 70 6.351 -1.521 13.385 1.00 0.00 C ATOM 1051 O HIS A 70 5.570 -2.065 12.593 1.00 0.00 O ATOM 1052 CB HIS A 70 8.796 -0.840 13.223 1.00 0.00 C ATOM 1053 CG HIS A 70 9.141 -2.275 12.984 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.331 -2.813 11.731 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.327 -3.285 13.860 1.00 0.00 C ATOM 1056 CE1 HIS A 70 9.617 -4.096 11.848 1.00 0.00 C ATOM 1057 NE2 HIS A 70 9.623 -4.408 13.130 1.00 0.00 N ATOM 0 H HIS A 70 7.609 1.063 14.313 1.00 0.00 H new ATOM 0 HA HIS A 70 7.214 -0.402 11.813 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.465 -0.218 12.628 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.989 -0.606 14.270 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.256 -3.221 14.936 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.813 -4.776 11.032 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.816 -5.333 13.515 1.00 0.00 H new ATOM 1066 N GLY A 71 6.360 -1.790 14.688 1.00 0.00 N ATOM 1067 CA GLY A 71 5.542 -2.862 15.246 1.00 0.00 C ATOM 1068 C GLY A 71 4.067 -2.662 15.011 1.00 0.00 C ATOM 1069 O GLY A 71 3.418 -3.481 14.364 1.00 0.00 O ATOM 0 H GLY A 71 6.921 -1.284 15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.849 -3.811 14.807 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.727 -2.932 16.318 1.00 0.00 H new ATOM 1073 N ASN A 72 3.548 -1.565 15.527 1.00 0.00 N ATOM 1074 CA ASN A 72 2.123 -1.251 15.410 1.00 0.00 C ATOM 1075 C ASN A 72 1.635 -1.235 13.961 1.00 0.00 C ATOM 1076 O ASN A 72 0.474 -1.533 13.701 1.00 0.00 O ATOM 1077 CB ASN A 72 1.799 0.087 16.085 1.00 0.00 C ATOM 1078 CG ASN A 72 1.310 -0.091 17.512 1.00 0.00 C ATOM 1079 OD1 ASN A 72 1.552 0.898 18.360 1.00 0.00 O flip ATOM 1080 ND2 ASN A 72 0.702 -1.106 17.848 1.00 0.00 N flip ATOM 0 H ASN A 72 4.090 -0.867 16.036 1.00 0.00 H new ATOM 0 HA ASN A 72 1.592 -2.053 15.923 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.689 0.717 16.084 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.038 0.609 15.505 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.533 -1.848 17.169 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.366 -1.206 18.806 1.00 0.00 H new ATOM 1087 N ALA A 73 2.508 -0.908 13.014 1.00 0.00 N ATOM 1088 CA ALA A 73 2.104 -0.862 11.611 1.00 0.00 C ATOM 1089 C ALA A 73 1.913 -2.266 11.054 1.00 0.00 C ATOM 1090 O ALA A 73 0.977 -2.527 10.289 1.00 0.00 O ATOM 1091 CB ALA A 73 3.127 -0.099 10.787 1.00 0.00 C ATOM 0 H ALA A 73 3.486 -0.674 13.187 1.00 0.00 H new ATOM 0 HA ALA A 73 1.149 -0.339 11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.810 -0.075 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.211 0.920 11.164 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.095 -0.594 10.860 1.00 0.00 H new ATOM 1097 N LYS A 74 2.763 -3.186 11.481 1.00 0.00 N ATOM 1098 CA LYS A 74 2.658 -4.559 11.017 1.00 0.00 C ATOM 1099 C LYS A 74 1.552 -5.269 11.779 1.00 0.00 C ATOM 1100 O LYS A 74 0.845 -6.110 11.229 1.00 0.00 O ATOM 1101 CB LYS A 74 3.979 -5.298 11.183 1.00 0.00 C ATOM 1102 CG LYS A 74 5.124 -4.652 10.426 1.00 0.00 C ATOM 1103 CD LYS A 74 4.773 -4.409 8.964 1.00 0.00 C ATOM 1104 CE LYS A 74 5.936 -3.781 8.211 1.00 0.00 C ATOM 1105 NZ LYS A 74 5.602 -3.500 6.788 1.00 0.00 N ATOM 0 H LYS A 74 3.523 -3.011 12.139 1.00 0.00 H new ATOM 0 HA LYS A 74 2.416 -4.550 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.232 -5.343 12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.859 -6.326 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.384 -3.705 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.005 -5.291 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.499 -5.353 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.902 -3.757 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.226 -2.853 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.797 -4.448 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.425 -3.073 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.350 -4.388 6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.797 -2.842 6.744 1.00 0.00 H new ATOM 1119 N ASP A 75 1.395 -4.891 13.040 1.00 0.00 N ATOM 1120 CA ASP A 75 0.309 -5.387 13.876 1.00 0.00 C ATOM 1121 C ASP A 75 -1.039 -4.938 13.318 1.00 0.00 C ATOM 1122 O ASP A 75 -2.009 -5.699 13.300 1.00 0.00 O ATOM 1123 CB ASP A 75 0.490 -4.886 15.311 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.700 -5.185 16.196 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -0.993 -6.373 16.429 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.337 -4.226 16.682 1.00 0.00 O ATOM 0 H ASP A 75 2.015 -4.233 13.512 1.00 0.00 H new ATOM 0 HA ASP A 75 0.331 -6.477 13.878 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.380 -5.346 15.741 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.663 -3.810 15.295 1.00 0.00 H new ATOM 1131 N PHE A 76 -1.096 -3.698 12.845 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.306 -3.168 12.236 1.00 0.00 C ATOM 1133 C PHE A 76 -2.649 -3.947 10.969 1.00 0.00 C ATOM 1134 O PHE A 76 -3.823 -4.131 10.642 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.139 -1.683 11.921 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.427 -0.996 11.593 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.288 -0.600 12.602 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.778 -0.748 10.280 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.479 0.032 12.307 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.967 -0.118 9.976 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.820 0.274 10.991 1.00 0.00 C ATOM 0 H PHE A 76 -0.316 -3.042 12.873 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.127 -3.280 12.944 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.679 -1.187 12.776 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.453 -1.572 11.081 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.025 -0.788 13.632 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.115 -1.051 9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.142 0.336 13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.231 0.069 8.946 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.751 0.768 10.755 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.620 -4.422 10.272 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.822 -5.252 9.087 1.00 0.00 C ATOM 1153 C ALA A 77 -2.374 -6.620 9.476 1.00 0.00 C ATOM 1154 O ALA A 77 -3.152 -7.220 8.736 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.515 -5.418 8.330 1.00 0.00 C ATOM 0 H ALA A 77 -0.642 -4.248 10.505 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.546 -4.754 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.681 -6.039 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.147 -4.440 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.222 -5.895 8.976 1.00 0.00 H new ATOM 1161 N MET A 78 -1.969 -7.099 10.643 1.00 0.00 N ATOM 1162 CA MET A 78 -2.459 -8.372 11.168 1.00 0.00 C ATOM 1163 C MET A 78 -3.926 -8.267 11.563 1.00 0.00 C ATOM 1164 O MET A 78 -4.660 -9.254 11.545 1.00 0.00 O ATOM 1165 CB MET A 78 -1.634 -8.801 12.386 1.00 0.00 C ATOM 1166 CG MET A 78 -0.144 -8.898 12.121 1.00 0.00 C ATOM 1167 SD MET A 78 0.807 -9.194 13.622 1.00 0.00 S ATOM 1168 CE MET A 78 2.478 -9.201 12.976 1.00 0.00 C ATOM 0 H MET A 78 -1.299 -6.625 11.249 1.00 0.00 H new ATOM 0 HA MET A 78 -2.357 -9.119 10.381 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.803 -8.090 13.195 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.994 -9.769 12.733 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.044 -9.704 11.411 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.199 -7.975 11.654 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.187 -9.141 13.801 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.648 -10.121 12.417 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.617 -8.345 12.316 1.00 0.00 H new ATOM 1178 N LYS A 79 -4.351 -7.067 11.933 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.735 -6.846 12.305 1.00 0.00 C ATOM 1180 C LYS A 79 -6.593 -6.545 11.076 1.00 0.00 C ATOM 1181 O LYS A 79 -7.820 -6.620 11.141 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.841 -5.709 13.335 1.00 0.00 C ATOM 1183 CG LYS A 79 -5.346 -6.099 14.718 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.256 -4.897 15.649 1.00 0.00 C ATOM 1185 CE LYS A 79 -4.122 -3.964 15.252 1.00 0.00 C ATOM 1186 NZ LYS A 79 -3.933 -2.858 16.229 1.00 0.00 N ATOM 0 H LYS A 79 -3.759 -6.238 11.982 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.113 -7.761 12.761 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.267 -4.853 12.980 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.881 -5.389 13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.018 -6.842 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.365 -6.567 14.634 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.200 -4.351 15.632 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.104 -5.240 16.673 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.197 -4.535 15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.327 -3.545 14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.983 -1.945 15.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.680 -2.902 16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.004 -2.953 16.686 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.954 -6.212 9.952 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.693 -5.830 8.749 1.00 0.00 C ATOM 1202 C HIS A 80 -5.974 -6.297 7.489 1.00 0.00 C ATOM 1203 O HIS A 80 -5.057 -5.635 7.009 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.898 -4.309 8.676 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.498 -3.717 9.910 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.840 -3.777 10.206 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.916 -3.076 10.943 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -9.056 -3.201 11.372 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.900 -2.768 11.844 1.00 0.00 N ATOM 0 H HIS A 80 -4.939 -6.199 9.851 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.666 -6.317 8.809 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.936 -3.832 8.487 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.540 -4.080 7.826 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.865 -2.847 11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.015 -3.100 11.859 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.764 -2.285 12.732 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.379 -7.448 6.973 1.00 0.00 N ATOM 1219 CA GLY A 81 -5.859 -7.904 5.700 1.00 0.00 C ATOM 1220 C GLY A 81 -5.171 -9.244 5.804 1.00 0.00 C ATOM 1221 O GLY A 81 -5.618 -10.226 5.210 1.00 0.00 O ATOM 0 H GLY A 81 -7.056 -8.073 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.675 -7.973 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.155 -7.167 5.313 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.096 -9.287 6.573 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.314 -10.501 6.715 1.00 0.00 C ATOM 1227 C ALA A 82 -3.584 -11.169 8.048 1.00 0.00 C ATOM 1228 O ALA A 82 -3.708 -10.502 9.070 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.832 -10.200 6.594 1.00 0.00 C ATOM 0 H ALA A 82 -3.745 -8.493 7.109 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.610 -11.179 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.263 -11.123 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.628 -9.762 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.538 -9.498 7.375 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.677 -12.483 8.030 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.792 -13.244 9.264 1.00 0.00 C ATOM 1237 C ASP A 83 -2.416 -13.568 9.784 1.00 0.00 C ATOM 1238 O ASP A 83 -1.411 -13.254 9.141 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.618 -14.520 9.109 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.855 -15.689 8.521 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.172 -16.396 9.291 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -3.954 -15.922 7.301 1.00 0.00 O ATOM 0 H ASP A 83 -3.676 -13.047 7.180 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.327 -12.620 9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.006 -14.809 10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.479 -14.307 8.475 1.00 0.00 H new ATOM 1247 N GLU A 84 -2.374 -14.188 10.948 1.00 0.00 N ATOM 1248 CA GLU A 84 -1.137 -14.406 11.646 1.00 0.00 C ATOM 1249 C GLU A 84 -0.094 -15.124 10.790 1.00 0.00 C ATOM 1250 O GLU A 84 1.088 -14.790 10.843 1.00 0.00 O ATOM 1251 CB GLU A 84 -1.393 -15.187 12.934 1.00 0.00 C ATOM 1252 CG GLU A 84 -1.511 -14.309 14.165 1.00 0.00 C ATOM 1253 CD GLU A 84 -0.178 -13.711 14.557 1.00 0.00 C ATOM 1254 OE1 GLU A 84 0.601 -14.400 15.251 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.106 -12.568 14.163 1.00 0.00 O ATOM 0 H GLU A 84 -3.197 -14.551 11.429 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.728 -13.425 11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.310 -15.765 12.822 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.582 -15.900 13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.226 -13.509 13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.904 -14.897 14.995 1.00 0.00 H new ATOM 1262 N THR A 85 -0.524 -16.085 9.984 1.00 0.00 N ATOM 1263 CA THR A 85 0.407 -16.832 9.153 1.00 0.00 C ATOM 1264 C THR A 85 0.894 -15.968 7.981 1.00 0.00 C ATOM 1265 O THR A 85 1.998 -16.167 7.474 1.00 0.00 O ATOM 1266 CB THR A 85 -0.215 -18.148 8.624 1.00 0.00 C ATOM 1267 OG1 THR A 85 0.806 -18.996 8.078 1.00 0.00 O ATOM 1268 CG2 THR A 85 -1.259 -17.870 7.562 1.00 0.00 C ATOM 0 H THR A 85 -1.501 -16.363 9.889 1.00 0.00 H new ATOM 0 HA THR A 85 1.258 -17.098 9.780 1.00 0.00 H new ATOM 0 HB THR A 85 -0.696 -18.650 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.401 -19.825 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.679 -18.812 7.209 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.053 -17.255 7.985 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.797 -17.343 6.727 1.00 0.00 H new ATOM 1276 N MET A 86 0.094 -14.971 7.582 1.00 0.00 N ATOM 1277 CA MET A 86 0.421 -14.161 6.416 1.00 0.00 C ATOM 1278 C MET A 86 1.355 -13.052 6.818 1.00 0.00 C ATOM 1279 O MET A 86 2.288 -12.718 6.097 1.00 0.00 O ATOM 1280 CB MET A 86 -0.830 -13.564 5.771 1.00 0.00 C ATOM 1281 CG MET A 86 -1.863 -14.591 5.380 1.00 0.00 C ATOM 1282 SD MET A 86 -3.338 -13.833 4.667 1.00 0.00 S ATOM 1283 CE MET A 86 -4.286 -15.280 4.209 1.00 0.00 C ATOM 0 H MET A 86 -0.775 -14.712 8.049 1.00 0.00 H new ATOM 0 HA MET A 86 0.900 -14.810 5.683 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.281 -12.854 6.464 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.537 -13.001 4.885 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.429 -15.285 4.661 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.144 -15.174 6.257 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.821 -15.085 3.280 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.614 -16.127 4.070 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.002 -15.511 4.998 1.00 0.00 H new ATOM 1293 N ALA A 87 1.097 -12.488 7.977 1.00 0.00 N ATOM 1294 CA ALA A 87 1.957 -11.475 8.525 1.00 0.00 C ATOM 1295 C ALA A 87 3.308 -12.081 8.841 1.00 0.00 C ATOM 1296 O ALA A 87 4.337 -11.485 8.564 1.00 0.00 O ATOM 1297 CB ALA A 87 1.326 -10.882 9.763 1.00 0.00 C ATOM 0 H ALA A 87 0.291 -12.719 8.558 1.00 0.00 H new ATOM 0 HA ALA A 87 2.096 -10.675 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.982 -10.115 10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.365 -10.437 9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.175 -11.666 10.505 1.00 0.00 H new ATOM 1303 N GLN A 88 3.295 -13.306 9.352 1.00 0.00 N ATOM 1304 CA GLN A 88 4.527 -13.954 9.800 1.00 0.00 C ATOM 1305 C GLN A 88 5.349 -14.463 8.621 1.00 0.00 C ATOM 1306 O GLN A 88 6.570 -14.599 8.720 1.00 0.00 O ATOM 1307 CB GLN A 88 4.218 -15.087 10.775 1.00 0.00 C ATOM 1308 CG GLN A 88 4.456 -14.704 12.231 1.00 0.00 C ATOM 1309 CD GLN A 88 3.932 -13.320 12.575 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.652 -12.327 12.468 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.681 -13.244 12.992 1.00 0.00 N ATOM 0 H GLN A 88 2.453 -13.870 9.467 1.00 0.00 H new ATOM 0 HA GLN A 88 5.125 -13.206 10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.179 -15.392 10.651 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.835 -15.950 10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.976 -15.439 12.877 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.525 -14.744 12.441 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.116 -14.090 13.067 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.280 -12.339 13.239 1.00 0.00 H new ATOM 1320 N GLN A 89 4.691 -14.739 7.505 1.00 0.00 N ATOM 1321 CA GLN A 89 5.415 -15.096 6.294 1.00 0.00 C ATOM 1322 C GLN A 89 5.880 -13.834 5.570 1.00 0.00 C ATOM 1323 O GLN A 89 6.849 -13.864 4.819 1.00 0.00 O ATOM 1324 CB GLN A 89 4.573 -15.991 5.369 1.00 0.00 C ATOM 1325 CG GLN A 89 3.314 -15.339 4.814 1.00 0.00 C ATOM 1326 CD GLN A 89 2.531 -16.270 3.905 1.00 0.00 C ATOM 1327 OE1 GLN A 89 1.222 -16.079 3.849 1.00 0.00 O flip ATOM 1328 NE2 GLN A 89 3.093 -17.150 3.259 1.00 0.00 N flip ATOM 0 H GLN A 89 3.675 -14.724 7.412 1.00 0.00 H new ATOM 0 HA GLN A 89 6.292 -15.676 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.196 -16.313 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.288 -16.888 5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.678 -15.023 5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.587 -14.441 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.104 -17.267 3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.549 -17.764 2.653 1.00 0.00 H new ATOM 1337 N LEU A 90 5.200 -12.719 5.821 1.00 0.00 N ATOM 1338 CA LEU A 90 5.541 -11.457 5.178 1.00 0.00 C ATOM 1339 C LEU A 90 6.690 -10.768 5.924 1.00 0.00 C ATOM 1340 O LEU A 90 7.673 -10.346 5.313 1.00 0.00 O ATOM 1341 CB LEU A 90 4.312 -10.542 5.141 1.00 0.00 C ATOM 1342 CG LEU A 90 4.159 -9.676 3.883 1.00 0.00 C ATOM 1343 CD1 LEU A 90 2.828 -8.942 3.913 1.00 0.00 C ATOM 1344 CD2 LEU A 90 5.305 -8.683 3.752 1.00 0.00 C ATOM 0 H LEU A 90 4.411 -12.665 6.465 1.00 0.00 H new ATOM 0 HA LEU A 90 5.865 -11.660 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.420 -11.160 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.346 -9.884 6.009 1.00 0.00 H new ATOM 0 HG LEU A 90 4.185 -10.334 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.729 -8.330 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.014 -9.666 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.785 -8.303 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.167 -8.085 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.321 -8.028 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.249 -9.224 3.688 1.00 0.00 H new ATOM 1356 N VAL A 91 6.564 -10.685 7.250 1.00 0.00 N ATOM 1357 CA VAL A 91 7.541 -9.990 8.097 1.00 0.00 C ATOM 1358 C VAL A 91 8.945 -10.558 7.928 1.00 0.00 C ATOM 1359 O VAL A 91 9.928 -9.819 7.950 1.00 0.00 O ATOM 1360 CB VAL A 91 7.153 -10.075 9.592 1.00 0.00 C ATOM 1361 CG1 VAL A 91 5.909 -9.252 9.889 1.00 0.00 C ATOM 1362 CG2 VAL A 91 6.955 -11.516 9.999 1.00 0.00 C ATOM 0 H VAL A 91 5.786 -11.095 7.767 1.00 0.00 H new ATOM 0 HA VAL A 91 7.535 -8.949 7.775 1.00 0.00 H new ATOM 0 HB VAL A 91 7.970 -9.656 10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.663 -9.333 10.948 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.095 -8.208 9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.076 -9.625 9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.682 -11.562 11.053 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.159 -11.958 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.880 -12.070 9.839 1.00 0.00 H new ATOM 1372 N ASP A 92 9.031 -11.868 7.741 1.00 0.00 N ATOM 1373 CA ASP A 92 10.310 -12.545 7.635 1.00 0.00 C ATOM 1374 C ASP A 92 11.049 -12.100 6.378 1.00 0.00 C ATOM 1375 O ASP A 92 12.255 -11.840 6.408 1.00 0.00 O ATOM 1376 CB ASP A 92 10.111 -14.061 7.648 1.00 0.00 C ATOM 1377 CG ASP A 92 11.410 -14.806 7.423 1.00 0.00 C ATOM 1378 OD1 ASP A 92 12.297 -14.718 8.299 1.00 0.00 O ATOM 1379 OD2 ASP A 92 11.552 -15.479 6.378 1.00 0.00 O ATOM 0 H ASP A 92 8.222 -12.484 7.659 1.00 0.00 H new ATOM 0 HA ASP A 92 10.921 -12.275 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.681 -14.362 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.395 -14.339 6.875 1.00 0.00 H new ATOM 1384 N ILE A 93 10.303 -11.969 5.289 1.00 0.00 N ATOM 1385 CA ILE A 93 10.851 -11.472 4.035 1.00 0.00 C ATOM 1386 C ILE A 93 11.345 -10.049 4.221 1.00 0.00 C ATOM 1387 O ILE A 93 12.423 -9.683 3.744 1.00 0.00 O ATOM 1388 CB ILE A 93 9.801 -11.492 2.894 1.00 0.00 C ATOM 1389 CG1 ILE A 93 9.693 -12.874 2.240 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.141 -10.453 1.842 1.00 0.00 C ATOM 1391 CD1 ILE A 93 9.513 -14.013 3.216 1.00 0.00 C ATOM 0 H ILE A 93 9.311 -12.202 5.250 1.00 0.00 H new ATOM 0 HA ILE A 93 11.673 -12.131 3.755 1.00 0.00 H new ATOM 0 HB ILE A 93 8.835 -11.255 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.852 -12.870 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.592 -13.055 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.394 -10.481 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.150 -9.463 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.124 -10.668 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.446 -14.954 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.365 -14.048 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.598 -13.860 3.789 1.00 0.00 H new ATOM 1403 N ILE A 94 10.549 -9.258 4.928 1.00 0.00 N ATOM 1404 CA ILE A 94 10.879 -7.863 5.168 1.00 0.00 C ATOM 1405 C ILE A 94 12.233 -7.755 5.845 1.00 0.00 C ATOM 1406 O ILE A 94 13.098 -7.021 5.394 1.00 0.00 O ATOM 1407 CB ILE A 94 9.826 -7.160 6.048 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.428 -7.379 5.480 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.127 -5.671 6.140 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.342 -6.699 6.278 1.00 0.00 C ATOM 0 H ILE A 94 9.669 -9.561 5.345 1.00 0.00 H new ATOM 0 HA ILE A 94 10.899 -7.369 4.196 1.00 0.00 H new ATOM 0 HB ILE A 94 9.867 -7.590 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.399 -7.011 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.224 -8.449 5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.376 -5.186 6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.114 -5.526 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.107 -5.233 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.374 -6.897 5.817 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.344 -7.084 7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.522 -5.624 6.296 1.00 0.00 H new ATOM 1422 N HIS A 95 12.433 -8.548 6.891 1.00 0.00 N ATOM 1423 CA HIS A 95 13.670 -8.474 7.669 1.00 0.00 C ATOM 1424 C HIS A 95 14.848 -8.940 6.829 1.00 0.00 C ATOM 1425 O HIS A 95 15.947 -8.381 6.902 1.00 0.00 O ATOM 1426 CB HIS A 95 13.600 -9.339 8.937 1.00 0.00 C ATOM 1427 CG HIS A 95 12.379 -9.130 9.779 1.00 0.00 C ATOM 1428 ND1 HIS A 95 11.823 -10.137 10.537 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.614 -8.032 9.993 1.00 0.00 C ATOM 1430 CE1 HIS A 95 10.773 -9.670 11.182 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.622 -8.396 10.873 1.00 0.00 N ATOM 0 H HIS A 95 11.764 -9.244 7.220 1.00 0.00 H new ATOM 0 HA HIS A 95 13.801 -7.432 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.647 -10.388 8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.482 -9.137 9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.757 -7.055 9.555 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.142 -10.235 11.851 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.889 -7.782 11.229 1.00 0.00 H new ATOM 1440 N GLY A 96 14.591 -9.915 5.973 1.00 0.00 N ATOM 1441 CA GLY A 96 15.663 -10.539 5.245 1.00 0.00 C ATOM 1442 C GLY A 96 16.056 -9.736 4.038 1.00 0.00 C ATOM 1443 O GLY A 96 17.238 -9.475 3.821 1.00 0.00 O ATOM 0 H GLY A 96 13.661 -10.282 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.526 -10.658 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.358 -11.538 4.934 1.00 0.00 H new ATOM 1447 N CYS A 97 15.083 -9.334 3.244 1.00 0.00 N ATOM 1448 CA CYS A 97 15.373 -8.541 2.080 1.00 0.00 C ATOM 1449 C CYS A 97 15.717 -7.092 2.425 1.00 0.00 C ATOM 1450 O CYS A 97 16.518 -6.496 1.723 1.00 0.00 O ATOM 1451 CB CYS A 97 14.291 -8.676 1.015 1.00 0.00 C ATOM 1452 SG CYS A 97 14.542 -10.166 -0.012 1.00 0.00 S ATOM 0 H CYS A 97 14.095 -9.544 3.387 1.00 0.00 H new ATOM 0 HA CYS A 97 16.281 -8.948 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.313 -8.723 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.293 -7.791 0.379 1.00 0.00 H new ATOM 1457 N GLU A 98 15.150 -6.519 3.500 1.00 0.00 N ATOM 1458 CA GLU A 98 15.685 -5.244 4.011 1.00 0.00 C ATOM 1459 C GLU A 98 17.165 -5.403 4.353 1.00 0.00 C ATOM 1460 O GLU A 98 17.962 -4.489 4.143 1.00 0.00 O ATOM 1461 CB GLU A 98 14.941 -4.737 5.261 1.00 0.00 C ATOM 1462 CG GLU A 98 13.597 -4.074 4.987 1.00 0.00 C ATOM 1463 CD GLU A 98 13.014 -3.396 6.218 1.00 0.00 C ATOM 1464 OE1 GLU A 98 12.769 -4.092 7.232 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.811 -2.161 6.187 1.00 0.00 O ATOM 0 H GLU A 98 14.355 -6.898 4.014 1.00 0.00 H new ATOM 0 HA GLU A 98 15.543 -4.508 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.783 -5.577 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.581 -4.025 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.716 -3.337 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.894 -4.824 4.623 1.00 0.00 H new ATOM 1472 N LYS A 99 17.530 -6.569 4.883 1.00 0.00 N ATOM 1473 CA LYS A 99 18.910 -6.844 5.248 1.00 0.00 C ATOM 1474 C LYS A 99 19.796 -7.062 4.015 1.00 0.00 C ATOM 1475 O LYS A 99 20.906 -6.535 3.942 1.00 0.00 O ATOM 1476 CB LYS A 99 18.961 -8.068 6.166 1.00 0.00 C ATOM 1477 CG LYS A 99 20.337 -8.357 6.734 1.00 0.00 C ATOM 1478 CD LYS A 99 20.870 -7.213 7.596 1.00 0.00 C ATOM 1479 CE LYS A 99 20.010 -6.953 8.833 1.00 0.00 C ATOM 1480 NZ LYS A 99 18.788 -6.159 8.522 1.00 0.00 N ATOM 0 H LYS A 99 16.885 -7.337 5.068 1.00 0.00 H new ATOM 0 HA LYS A 99 19.301 -5.974 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.263 -7.921 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.618 -8.941 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.295 -9.268 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.032 -8.544 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.888 -7.444 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.919 -6.304 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.718 -7.906 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.603 -6.424 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.591 -5.504 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.939 -5.617 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.980 -6.801 8.396 1.00 0.00 H new ATOM 1494 N SER A 100 19.302 -7.819 3.043 1.00 0.00 N ATOM 1495 CA SER A 100 20.109 -8.191 1.882 1.00 0.00 C ATOM 1496 C SER A 100 19.845 -7.284 0.674 1.00 0.00 C ATOM 1497 O SER A 100 20.219 -7.618 -0.453 1.00 0.00 O ATOM 1498 CB SER A 100 19.843 -9.654 1.509 1.00 0.00 C ATOM 1499 OG SER A 100 19.996 -10.503 2.638 1.00 0.00 O ATOM 0 H SER A 100 18.351 -8.187 3.033 1.00 0.00 H new ATOM 0 HA SER A 100 21.156 -8.065 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.834 -9.753 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.530 -9.963 0.721 1.00 0.00 H new ATOM 0 HG SER A 100 19.213 -10.417 3.221 1.00 0.00 H new ATOM 1505 N ALA A 101 19.210 -6.142 0.905 1.00 0.00 N ATOM 1506 CA ALA A 101 18.950 -5.186 -0.168 1.00 0.00 C ATOM 1507 C ALA A 101 20.188 -4.338 -0.442 1.00 0.00 C ATOM 1508 O ALA A 101 21.031 -4.159 0.440 1.00 0.00 O ATOM 1509 CB ALA A 101 17.770 -4.287 0.183 1.00 0.00 C ATOM 0 H ALA A 101 18.866 -5.854 1.821 1.00 0.00 H new ATOM 0 HA ALA A 101 18.703 -5.749 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.594 -3.583 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.880 -4.897 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.991 -3.737 1.098 1.00 0.00 H new ATOM 1515 N PRO A 102 20.316 -3.814 -1.672 1.00 0.00 N ATOM 1516 CA PRO A 102 21.421 -2.929 -2.047 1.00 0.00 C ATOM 1517 C PRO A 102 21.299 -1.578 -1.348 1.00 0.00 C ATOM 1518 O PRO A 102 20.230 -1.239 -0.845 1.00 0.00 O ATOM 1519 CB PRO A 102 21.260 -2.760 -3.568 1.00 0.00 C ATOM 1520 CG PRO A 102 20.266 -3.791 -3.987 1.00 0.00 C ATOM 1521 CD PRO A 102 19.392 -4.027 -2.793 1.00 0.00 C ATOM 0 HA PRO A 102 22.393 -3.333 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.912 -1.757 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 102 22.211 -2.903 -4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 102 19.680 -3.445 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.763 -4.711 -4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.551 -3.334 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.975 -5.034 -2.789 1.00 0.00 H new ATOM 1529 N PRO A 103 22.385 -0.786 -1.303 1.00 0.00 N ATOM 1530 CA PRO A 103 22.393 0.537 -0.649 1.00 0.00 C ATOM 1531 C PRO A 103 21.557 1.588 -1.391 1.00 0.00 C ATOM 1532 O PRO A 103 21.949 2.754 -1.489 1.00 0.00 O ATOM 1533 CB PRO A 103 23.876 0.942 -0.665 1.00 0.00 C ATOM 1534 CG PRO A 103 24.627 -0.298 -1.013 1.00 0.00 C ATOM 1535 CD PRO A 103 23.701 -1.118 -1.857 1.00 0.00 C ATOM 0 HA PRO A 103 21.953 0.482 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.059 1.729 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.187 1.329 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.542 -0.061 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.921 -0.841 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.775 -0.855 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.917 -2.183 -1.778 1.00 0.00 H new ATOM 1543 N ASN A 104 20.396 1.183 -1.885 1.00 0.00 N ATOM 1544 CA ASN A 104 19.493 2.094 -2.569 1.00 0.00 C ATOM 1545 C ASN A 104 18.663 2.838 -1.537 1.00 0.00 C ATOM 1546 O ASN A 104 17.632 2.343 -1.081 1.00 0.00 O ATOM 1547 CB ASN A 104 18.561 1.335 -3.527 1.00 0.00 C ATOM 1548 CG ASN A 104 19.290 0.613 -4.650 1.00 0.00 C ATOM 1549 OD1 ASN A 104 20.440 0.203 -4.507 1.00 0.00 O ATOM 1550 ND2 ASN A 104 18.611 0.435 -5.774 1.00 0.00 N ATOM 0 H ASN A 104 20.057 0.223 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 104 20.085 2.796 -3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.982 0.609 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.851 2.039 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 104 19.041 -0.057 -6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.658 0.790 -5.856 1.00 0.00 H new ATOM 1557 N ASP A 105 19.125 4.012 -1.145 1.00 0.00 N ATOM 1558 CA ASP A 105 18.444 4.776 -0.115 1.00 0.00 C ATOM 1559 C ASP A 105 17.271 5.544 -0.699 1.00 0.00 C ATOM 1560 O ASP A 105 17.435 6.642 -1.235 1.00 0.00 O ATOM 1561 CB ASP A 105 19.400 5.737 0.592 1.00 0.00 C ATOM 1562 CG ASP A 105 18.708 6.519 1.693 1.00 0.00 C ATOM 1563 OD1 ASP A 105 18.557 5.982 2.808 1.00 0.00 O ATOM 1564 OD2 ASP A 105 18.309 7.678 1.448 1.00 0.00 O ATOM 0 H ASP A 105 19.963 4.455 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 105 18.068 4.066 0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 105 20.232 5.175 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.821 6.431 -0.136 1.00 0.00 H new ATOM 1569 N ASP A 106 16.093 4.958 -0.628 1.00 0.00 N ATOM 1570 CA ASP A 106 14.889 5.640 -1.063 1.00 0.00 C ATOM 1571 C ASP A 106 13.802 5.477 -0.017 1.00 0.00 C ATOM 1572 O ASP A 106 13.253 4.383 0.157 1.00 0.00 O ATOM 1573 CB ASP A 106 14.412 5.118 -2.415 1.00 0.00 C ATOM 1574 CG ASP A 106 13.369 6.025 -3.047 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.237 6.097 -2.523 1.00 0.00 O ATOM 1576 OD2 ASP A 106 13.687 6.668 -4.070 1.00 0.00 O ATOM 0 H ASP A 106 15.943 4.013 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 106 15.118 6.699 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.265 5.025 -3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.994 4.119 -2.290 1.00 0.00 H new ATOM 1581 N LYS A 107 13.542 6.580 0.680 1.00 0.00 N ATOM 1582 CA LYS A 107 12.561 6.669 1.775 1.00 0.00 C ATOM 1583 C LYS A 107 11.378 5.687 1.658 1.00 0.00 C ATOM 1584 O LYS A 107 11.157 4.885 2.564 1.00 0.00 O ATOM 1585 CB LYS A 107 12.045 8.109 1.852 1.00 0.00 C ATOM 1586 CG LYS A 107 11.079 8.377 2.993 1.00 0.00 C ATOM 1587 CD LYS A 107 10.707 9.852 3.054 1.00 0.00 C ATOM 1588 CE LYS A 107 9.676 10.136 4.134 1.00 0.00 C ATOM 1589 NZ LYS A 107 8.413 9.394 3.899 1.00 0.00 N ATOM 0 H LYS A 107 14.017 7.464 0.499 1.00 0.00 H new ATOM 0 HA LYS A 107 13.081 6.381 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.897 8.781 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.552 8.355 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.179 7.776 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.531 8.072 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.602 10.444 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.315 10.167 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.084 9.861 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.469 11.206 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.659 9.795 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.145 9.474 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.549 8.392 4.142 1.00 0.00 H new ATOM 1603 N CYS A 108 10.609 5.748 0.578 1.00 0.00 N ATOM 1604 CA CYS A 108 9.440 4.887 0.453 1.00 0.00 C ATOM 1605 C CYS A 108 9.733 3.596 -0.337 1.00 0.00 C ATOM 1606 O CYS A 108 8.972 2.635 -0.248 1.00 0.00 O ATOM 1607 CB CYS A 108 8.309 5.674 -0.218 1.00 0.00 C ATOM 1608 SG CYS A 108 6.638 5.013 0.085 1.00 0.00 S ATOM 0 H CYS A 108 10.769 6.373 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 108 9.145 4.577 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 108 8.346 6.706 0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 108 8.487 5.695 -1.293 1.00 0.00 H new ATOM 1613 N MET A 109 10.845 3.548 -1.072 1.00 0.00 N ATOM 1614 CA MET A 109 11.064 2.486 -2.043 1.00 0.00 C ATOM 1615 C MET A 109 11.674 1.210 -1.434 1.00 0.00 C ATOM 1616 O MET A 109 11.480 0.113 -1.971 1.00 0.00 O ATOM 1617 CB MET A 109 11.932 3.012 -3.188 1.00 0.00 C ATOM 1618 CG MET A 109 12.621 1.930 -3.988 1.00 0.00 C ATOM 1619 SD MET A 109 13.574 2.580 -5.376 1.00 0.00 S ATOM 1620 CE MET A 109 14.282 1.070 -6.034 1.00 0.00 C ATOM 0 H MET A 109 11.601 4.230 -1.011 1.00 0.00 H new ATOM 0 HA MET A 109 10.085 2.191 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.310 3.604 -3.859 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.687 3.683 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 109 13.284 1.366 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.873 1.231 -4.363 1.00 0.00 H new ATOM 0 HE1 MET A 109 14.901 1.305 -6.900 1.00 0.00 H new ATOM 0 HE2 MET A 109 14.895 0.592 -5.270 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.482 0.393 -6.333 1.00 0.00 H new ATOM 1630 N LYS A 110 12.397 1.333 -0.319 1.00 0.00 N ATOM 1631 CA LYS A 110 13.050 0.150 0.276 1.00 0.00 C ATOM 1632 C LYS A 110 12.021 -0.912 0.630 1.00 0.00 C ATOM 1633 O LYS A 110 12.170 -2.096 0.333 1.00 0.00 O ATOM 1634 CB LYS A 110 13.872 0.477 1.529 1.00 0.00 C ATOM 1635 CG LYS A 110 13.138 1.202 2.641 1.00 0.00 C ATOM 1636 CD LYS A 110 13.377 2.693 2.596 1.00 0.00 C ATOM 1637 CE LYS A 110 13.294 3.312 3.982 1.00 0.00 C ATOM 1638 NZ LYS A 110 11.999 3.018 4.648 1.00 0.00 N ATOM 0 H LYS A 110 12.547 2.208 0.183 1.00 0.00 H new ATOM 0 HA LYS A 110 13.736 -0.222 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 110 14.269 -0.455 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.726 1.084 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.069 1.003 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 110 13.463 0.811 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 110 14.358 2.893 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.641 3.161 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.111 2.935 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.425 4.391 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.978 3.473 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.219 3.385 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.892 1.990 4.761 1.00 0.00 H new ATOM 1652 N THR A 111 10.974 -0.461 1.272 1.00 0.00 N ATOM 1653 CA THR A 111 9.833 -1.284 1.592 1.00 0.00 C ATOM 1654 C THR A 111 9.249 -1.986 0.346 1.00 0.00 C ATOM 1655 O THR A 111 8.502 -2.958 0.470 1.00 0.00 O ATOM 1656 CB THR A 111 8.794 -0.388 2.300 1.00 0.00 C ATOM 1657 OG1 THR A 111 8.540 -0.881 3.624 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.475 -0.261 1.533 1.00 0.00 C ATOM 0 H THR A 111 10.888 0.503 1.593 1.00 0.00 H new ATOM 0 HA THR A 111 10.136 -2.094 2.255 1.00 0.00 H new ATOM 0 HB THR A 111 9.228 0.611 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.881 -0.306 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.792 0.382 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.665 0.173 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.027 -1.248 1.413 1.00 0.00 H new ATOM 1666 N ILE A 112 9.642 -1.543 -0.852 1.00 0.00 N ATOM 1667 CA ILE A 112 9.101 -2.110 -2.072 1.00 0.00 C ATOM 1668 C ILE A 112 9.988 -3.252 -2.545 1.00 0.00 C ATOM 1669 O ILE A 112 9.484 -4.298 -2.958 1.00 0.00 O ATOM 1670 CB ILE A 112 8.931 -1.051 -3.188 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.549 -0.393 -3.109 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.138 -1.652 -4.578 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.313 0.400 -1.846 1.00 0.00 C ATOM 0 H ILE A 112 10.327 -0.800 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 112 8.105 -2.492 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 112 9.698 -0.293 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.423 0.267 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.785 -1.167 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.010 -0.876 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.144 -2.065 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.408 -2.444 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.313 0.832 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.404 -0.257 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.052 1.198 -1.774 1.00 0.00 H new ATOM 1685 N ASP A 113 11.313 -3.069 -2.466 1.00 0.00 N ATOM 1686 CA ASP A 113 12.230 -4.149 -2.833 1.00 0.00 C ATOM 1687 C ASP A 113 12.047 -5.345 -1.915 1.00 0.00 C ATOM 1688 O ASP A 113 12.201 -6.490 -2.339 1.00 0.00 O ATOM 1689 CB ASP A 113 13.713 -3.733 -2.867 1.00 0.00 C ATOM 1690 CG ASP A 113 14.180 -2.915 -1.686 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.498 -3.507 -0.637 1.00 0.00 O ATOM 1692 OD2 ASP A 113 14.284 -1.677 -1.829 1.00 0.00 O ATOM 0 H ASP A 113 11.762 -2.206 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 113 11.966 -4.420 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.325 -4.633 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.893 -3.162 -3.778 1.00 0.00 H new ATOM 1697 N VAL A 114 11.698 -5.094 -0.665 1.00 0.00 N ATOM 1698 CA VAL A 114 11.476 -6.169 0.262 1.00 0.00 C ATOM 1699 C VAL A 114 10.069 -6.767 0.055 1.00 0.00 C ATOM 1700 O VAL A 114 9.870 -7.979 0.151 1.00 0.00 O ATOM 1701 CB VAL A 114 11.707 -5.693 1.706 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.996 -4.897 1.783 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.557 -4.868 2.218 1.00 0.00 C ATOM 0 H VAL A 114 11.565 -4.159 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 114 12.197 -6.964 0.073 1.00 0.00 H new ATOM 0 HB VAL A 114 11.782 -6.576 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 114 13.156 -4.562 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.831 -5.525 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.929 -4.031 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.762 -4.553 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.430 -3.989 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.644 -5.464 2.198 1.00 0.00 H new ATOM 1713 N ALA A 115 9.101 -5.915 -0.287 1.00 0.00 N ATOM 1714 CA ALA A 115 7.748 -6.375 -0.621 1.00 0.00 C ATOM 1715 C ALA A 115 7.750 -7.276 -1.855 1.00 0.00 C ATOM 1716 O ALA A 115 7.170 -8.379 -1.864 1.00 0.00 O ATOM 1717 CB ALA A 115 6.832 -5.191 -0.859 1.00 0.00 C ATOM 0 H ALA A 115 9.226 -4.904 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 115 7.382 -6.955 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.832 -5.548 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.787 -4.579 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.218 -4.593 -1.685 1.00 0.00 H new ATOM 1723 N MET A 116 8.417 -6.815 -2.905 1.00 0.00 N ATOM 1724 CA MET A 116 8.485 -7.589 -4.130 1.00 0.00 C ATOM 1725 C MET A 116 9.328 -8.843 -3.905 1.00 0.00 C ATOM 1726 O MET A 116 9.191 -9.832 -4.619 1.00 0.00 O ATOM 1727 CB MET A 116 8.965 -6.739 -5.335 1.00 0.00 C ATOM 1728 CG MET A 116 10.371 -6.148 -5.264 1.00 0.00 C ATOM 1729 SD MET A 116 11.679 -7.386 -5.383 1.00 0.00 S ATOM 1730 CE MET A 116 13.130 -6.336 -5.438 1.00 0.00 C ATOM 0 H MET A 116 8.910 -5.923 -2.931 1.00 0.00 H new ATOM 0 HA MET A 116 7.478 -7.911 -4.395 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.905 -7.359 -6.229 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.261 -5.918 -5.469 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.493 -5.423 -6.069 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.481 -5.604 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.844 -6.739 -6.156 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.840 -5.330 -5.740 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.590 -6.299 -4.451 1.00 0.00 H new ATOM 1740 N CYS A 117 10.139 -8.809 -2.854 1.00 0.00 N ATOM 1741 CA CYS A 117 10.906 -9.961 -2.405 1.00 0.00 C ATOM 1742 C CYS A 117 9.978 -11.011 -1.824 1.00 0.00 C ATOM 1743 O CYS A 117 10.236 -12.213 -1.914 1.00 0.00 O ATOM 1744 CB CYS A 117 11.932 -9.516 -1.363 1.00 0.00 C ATOM 1745 SG CYS A 117 12.685 -10.866 -0.410 1.00 0.00 S ATOM 0 H CYS A 117 10.283 -7.974 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 117 11.431 -10.400 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.723 -8.961 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.450 -8.826 -0.670 1.00 0.00 H new ATOM 1750 N PHE A 118 8.878 -10.549 -1.255 1.00 0.00 N ATOM 1751 CA PHE A 118 7.894 -11.445 -0.675 1.00 0.00 C ATOM 1752 C PHE A 118 7.149 -12.207 -1.761 1.00 0.00 C ATOM 1753 O PHE A 118 6.927 -13.408 -1.632 1.00 0.00 O ATOM 1754 CB PHE A 118 6.919 -10.689 0.241 1.00 0.00 C ATOM 1755 CG PHE A 118 5.751 -11.515 0.703 1.00 0.00 C ATOM 1756 CD1 PHE A 118 5.927 -12.541 1.616 1.00 0.00 C ATOM 1757 CD2 PHE A 118 4.476 -11.260 0.224 1.00 0.00 C ATOM 1758 CE1 PHE A 118 4.854 -13.300 2.041 1.00 0.00 C ATOM 1759 CE2 PHE A 118 3.399 -12.014 0.645 1.00 0.00 C ATOM 1760 CZ PHE A 118 3.587 -13.036 1.556 1.00 0.00 C ATOM 0 H PHE A 118 8.644 -9.559 -1.182 1.00 0.00 H new ATOM 0 HA PHE A 118 8.426 -12.170 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.463 -10.327 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.545 -9.813 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.914 -12.750 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.323 -10.462 -0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.005 -14.099 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 118 2.411 -11.805 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 118 2.746 -13.627 1.888 1.00 0.00 H new ATOM 1770 N LYS A 119 6.752 -11.529 -2.834 1.00 0.00 N ATOM 1771 CA LYS A 119 6.105 -12.253 -3.931 1.00 0.00 C ATOM 1772 C LYS A 119 7.118 -13.158 -4.650 1.00 0.00 C ATOM 1773 O LYS A 119 6.743 -14.194 -5.194 1.00 0.00 O ATOM 1774 CB LYS A 119 5.405 -11.312 -4.916 1.00 0.00 C ATOM 1775 CG LYS A 119 6.309 -10.776 -6.007 1.00 0.00 C ATOM 1776 CD LYS A 119 6.099 -9.298 -6.243 1.00 0.00 C ATOM 1777 CE LYS A 119 7.030 -8.799 -7.325 1.00 0.00 C ATOM 1778 NZ LYS A 119 6.694 -9.383 -8.649 1.00 0.00 N ATOM 0 H LYS A 119 6.858 -10.524 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 119 5.328 -12.880 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.571 -11.841 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.983 -10.473 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.349 -10.955 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.122 -11.321 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.064 -9.113 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.276 -8.747 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.973 -7.712 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.058 -9.052 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.197 -8.863 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.980 -10.383 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.669 -9.313 -8.809 1.00 0.00 H new ATOM 1792 N LYS A 120 8.403 -12.768 -4.664 1.00 0.00 N ATOM 1793 CA LYS A 120 9.464 -13.684 -5.094 1.00 0.00 C ATOM 1794 C LYS A 120 9.423 -14.958 -4.257 1.00 0.00 C ATOM 1795 O LYS A 120 9.455 -16.071 -4.781 1.00 0.00 O ATOM 1796 CB LYS A 120 10.836 -13.035 -4.954 1.00 0.00 C ATOM 1797 CG LYS A 120 11.591 -12.957 -6.265 1.00 0.00 C ATOM 1798 CD LYS A 120 10.871 -12.049 -7.243 1.00 0.00 C ATOM 1799 CE LYS A 120 10.889 -10.608 -6.766 1.00 0.00 C ATOM 1800 NZ LYS A 120 12.268 -10.052 -6.743 1.00 0.00 N ATOM 0 H LYS A 120 8.726 -11.841 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 120 9.296 -13.926 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.717 -12.030 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.427 -13.600 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.599 -12.583 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.691 -13.954 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.344 -12.117 -8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.840 -12.383 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.263 -10.001 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.457 -10.550 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.225 -9.021 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.801 -10.479 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.744 -10.266 -7.643 1.00 0.00 H new ATOM 1814 N GLU A 121 9.337 -14.769 -2.947 1.00 0.00 N ATOM 1815 CA GLU A 121 9.217 -15.867 -2.001 1.00 0.00 C ATOM 1816 C GLU A 121 7.992 -16.747 -2.307 1.00 0.00 C ATOM 1817 O GLU A 121 8.114 -17.968 -2.383 1.00 0.00 O ATOM 1818 CB GLU A 121 9.111 -15.293 -0.590 1.00 0.00 C ATOM 1819 CG GLU A 121 8.979 -16.341 0.489 1.00 0.00 C ATOM 1820 CD GLU A 121 10.291 -17.021 0.821 1.00 0.00 C ATOM 1821 OE1 GLU A 121 11.209 -16.337 1.320 1.00 0.00 O ATOM 1822 OE2 GLU A 121 10.407 -18.243 0.601 1.00 0.00 O ATOM 0 H GLU A 121 9.349 -13.847 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 121 10.101 -16.499 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.994 -14.687 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.249 -14.627 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.579 -15.877 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.257 -17.093 0.170 1.00 0.00 H new ATOM 1829 N ILE A 122 6.818 -16.131 -2.482 1.00 0.00 N ATOM 1830 CA ILE A 122 5.606 -16.865 -2.823 1.00 0.00 C ATOM 1831 C ILE A 122 5.796 -17.687 -4.115 1.00 0.00 C ATOM 1832 O ILE A 122 5.211 -18.758 -4.268 1.00 0.00 O ATOM 1833 CB ILE A 122 4.394 -15.889 -2.926 1.00 0.00 C ATOM 1834 CG1 ILE A 122 3.196 -16.450 -2.164 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.001 -15.593 -4.371 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.500 -17.594 -2.868 1.00 0.00 C ATOM 0 H ILE A 122 6.687 -15.124 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 122 5.394 -17.577 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 122 4.706 -14.947 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.529 -16.789 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 122 2.477 -15.648 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.153 -14.909 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.843 -15.137 -4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.726 -16.522 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.660 -17.937 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 122 2.135 -17.256 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 122 3.203 -18.415 -3.011 1.00 0.00 H new ATOM 1848 N HIS A 123 6.630 -17.189 -5.031 1.00 0.00 N ATOM 1849 CA HIS A 123 6.963 -17.926 -6.255 1.00 0.00 C ATOM 1850 C HIS A 123 7.871 -19.129 -5.967 1.00 0.00 C ATOM 1851 O HIS A 123 7.782 -20.152 -6.648 1.00 0.00 O ATOM 1852 CB HIS A 123 7.644 -17.011 -7.281 1.00 0.00 C ATOM 1853 CG HIS A 123 6.702 -16.175 -8.093 1.00 0.00 C ATOM 1854 ND1 HIS A 123 5.679 -15.369 -7.725 1.00 0.00 N flip ATOM 1855 CD2 HIS A 123 6.774 -16.089 -9.467 1.00 0.00 C flip ATOM 1856 CE1 HIS A 123 5.162 -14.810 -8.870 1.00 0.00 C flip ATOM 1857 NE2 HIS A 123 5.843 -15.264 -9.904 1.00 0.00 N flip ATOM 0 H HIS A 123 7.087 -16.281 -4.950 1.00 0.00 H new ATOM 0 HA HIS A 123 6.022 -18.292 -6.666 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.336 -16.351 -6.757 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.239 -17.625 -7.957 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.483 -16.616 -10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.336 -14.115 -8.915 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.677 -15.018 -10.880 1.00 0.00 H new ATOM 1866 N LYS A 124 8.731 -19.011 -4.954 1.00 0.00 N ATOM 1867 CA LYS A 124 9.643 -20.074 -4.578 1.00 0.00 C ATOM 1868 C LYS A 124 8.847 -21.198 -3.913 1.00 0.00 C ATOM 1869 O LYS A 124 9.202 -22.376 -3.997 1.00 0.00 O ATOM 1870 CB LYS A 124 10.709 -19.491 -3.632 1.00 0.00 C ATOM 1871 CG LYS A 124 11.991 -20.302 -3.528 1.00 0.00 C ATOM 1872 CD LYS A 124 11.768 -21.589 -2.769 1.00 0.00 C ATOM 1873 CE LYS A 124 12.985 -22.498 -2.835 1.00 0.00 C ATOM 1874 NZ LYS A 124 12.735 -23.814 -2.196 1.00 0.00 N ATOM 0 H LYS A 124 8.809 -18.174 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 124 10.148 -20.490 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.960 -18.485 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.276 -19.395 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.363 -20.527 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.758 -19.711 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.539 -21.363 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.903 -22.109 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.268 -22.649 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.827 -22.011 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.591 -24.401 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.491 -23.673 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.948 -24.291 -2.681 1.00 0.00 H new ATOM 1888 N LEU A 125 7.734 -20.814 -3.299 1.00 0.00 N ATOM 1889 CA LEU A 125 6.835 -21.746 -2.618 1.00 0.00 C ATOM 1890 C LEU A 125 6.020 -22.586 -3.610 1.00 0.00 C ATOM 1891 O LEU A 125 5.047 -23.232 -3.219 1.00 0.00 O ATOM 1892 CB LEU A 125 5.884 -20.977 -1.695 1.00 0.00 C ATOM 1893 CG LEU A 125 6.560 -20.174 -0.581 1.00 0.00 C ATOM 1894 CD1 LEU A 125 5.531 -19.381 0.208 1.00 0.00 C ATOM 1895 CD2 LEU A 125 7.338 -21.096 0.345 1.00 0.00 C ATOM 0 H LEU A 125 7.426 -19.843 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 125 7.453 -22.426 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.288 -20.295 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.193 -21.687 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 125 7.258 -19.474 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.032 -18.817 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.013 -18.692 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.809 -20.065 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.812 -20.507 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.657 -21.819 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 125 8.103 -21.623 -0.225 1.00 0.00 H new ATOM 1907 N ASN A 126 6.420 -22.552 -4.888 1.00 0.00 N ATOM 1908 CA ASN A 126 5.722 -23.256 -5.973 1.00 0.00 C ATOM 1909 C ASN A 126 5.256 -24.649 -5.549 1.00 0.00 C ATOM 1910 O ASN A 126 6.059 -25.501 -5.165 1.00 0.00 O ATOM 1911 CB ASN A 126 6.637 -23.369 -7.196 1.00 0.00 C ATOM 1912 CG ASN A 126 6.034 -22.729 -8.433 1.00 0.00 C ATOM 1913 OD1 ASN A 126 5.333 -23.378 -9.208 1.00 0.00 O ATOM 1914 ND2 ASN A 126 6.308 -21.448 -8.629 1.00 0.00 N ATOM 0 H ASN A 126 7.241 -22.033 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 126 4.836 -22.672 -6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.594 -22.895 -6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 126 6.841 -24.421 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 126 5.933 -20.966 -9.446 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.894 -20.944 -7.963 1.00 0.00 H new ATOM 1921 N TRP A 127 3.947 -24.863 -5.629 1.00 0.00 N ATOM 1922 CA TRP A 127 3.314 -26.098 -5.156 1.00 0.00 C ATOM 1923 C TRP A 127 3.451 -27.245 -6.160 1.00 0.00 C ATOM 1924 O TRP A 127 2.605 -28.140 -6.201 1.00 0.00 O ATOM 1925 CB TRP A 127 1.830 -25.828 -4.895 1.00 0.00 C ATOM 1926 CG TRP A 127 1.538 -24.373 -4.699 1.00 0.00 C ATOM 1927 CD1 TRP A 127 1.868 -23.612 -3.619 1.00 0.00 C ATOM 1928 CD2 TRP A 127 0.869 -23.502 -5.618 1.00 0.00 C ATOM 1929 NE1 TRP A 127 1.466 -22.319 -3.818 1.00 0.00 N ATOM 1930 CE2 TRP A 127 0.839 -22.224 -5.031 1.00 0.00 C ATOM 1931 CE3 TRP A 127 0.292 -23.677 -6.879 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 0.262 -21.125 -5.666 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 -0.284 -22.588 -7.506 1.00 0.00 C ATOM 1934 CH2 TRP A 127 -0.296 -21.327 -6.899 1.00 0.00 C ATOM 0 H TRP A 127 3.291 -24.188 -6.023 1.00 0.00 H new ATOM 0 HA TRP A 127 3.822 -26.403 -4.241 1.00 0.00 H new ATOM 0 HB2 TRP A 127 1.243 -26.203 -5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 127 1.513 -26.381 -4.011 1.00 0.00 H new ATOM 0 HD1 TRP A 127 2.372 -23.975 -2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 127 1.611 -21.548 -3.166 1.00 0.00 H new ATOM 0 HE3 TRP A 127 0.296 -24.646 -7.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 0.256 -20.150 -5.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -0.732 -22.712 -8.481 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -0.755 -20.496 -7.414 1.00 0.00 H new ATOM 1945 N VAL A 128 4.515 -27.230 -6.949 1.00 0.00 N ATOM 1946 CA VAL A 128 4.754 -28.278 -7.935 1.00 0.00 C ATOM 1947 C VAL A 128 5.048 -29.616 -7.252 1.00 0.00 C ATOM 1948 O VAL A 128 5.945 -29.711 -6.411 1.00 0.00 O ATOM 1949 CB VAL A 128 5.913 -27.915 -8.894 1.00 0.00 C ATOM 1950 CG1 VAL A 128 5.488 -26.816 -9.856 1.00 0.00 C ATOM 1951 CG2 VAL A 128 7.152 -27.488 -8.117 1.00 0.00 C ATOM 0 H VAL A 128 5.229 -26.502 -6.927 1.00 0.00 H new ATOM 0 HA VAL A 128 3.842 -28.371 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 128 6.162 -28.806 -9.471 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.317 -26.575 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.637 -27.157 -10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.206 -25.927 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 128 7.951 -27.239 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 128 6.917 -26.615 -7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 128 7.476 -28.304 -7.471 1.00 0.00 H new ATOM 1961 N PRO A 129 4.275 -30.662 -7.586 1.00 0.00 N ATOM 1962 CA PRO A 129 4.460 -32.000 -7.015 1.00 0.00 C ATOM 1963 C PRO A 129 5.777 -32.636 -7.453 1.00 0.00 C ATOM 1964 O PRO A 129 6.601 -33.009 -6.613 1.00 0.00 O ATOM 1965 CB PRO A 129 3.269 -32.806 -7.559 1.00 0.00 C ATOM 1966 CG PRO A 129 2.313 -31.793 -8.095 1.00 0.00 C ATOM 1967 CD PRO A 129 3.149 -30.624 -8.531 1.00 0.00 C ATOM 0 HA PRO A 129 4.500 -31.970 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 129 3.587 -33.497 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 129 2.808 -33.403 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 129 1.743 -32.198 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 129 1.593 -31.495 -7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 129 3.483 -30.728 -9.563 1.00 0.00 H new ATOM 0 HD3 PRO A 129 2.598 -29.686 -8.467 1.00 0.00 H new ATOM 1975 N ASN A 130 5.957 -32.748 -8.774 1.00 0.00 N ATOM 1976 CA ASN A 130 7.159 -33.334 -9.379 1.00 0.00 C ATOM 1977 C ASN A 130 7.247 -34.836 -9.103 1.00 0.00 C ATOM 1978 O ASN A 130 7.028 -35.652 -10.000 1.00 0.00 O ATOM 1979 CB ASN A 130 8.436 -32.624 -8.900 1.00 0.00 C ATOM 1980 CG ASN A 130 9.692 -33.160 -9.566 1.00 0.00 C ATOM 1981 OD1 ASN A 130 9.651 -33.649 -10.693 1.00 0.00 O ATOM 1982 ND2 ASN A 130 10.818 -33.059 -8.880 1.00 0.00 N ATOM 0 H ASN A 130 5.269 -32.433 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 130 7.077 -33.190 -10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.350 -31.556 -9.102 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.526 -32.738 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.693 -33.393 -9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.812 -32.647 -7.947 1.00 0.00 H new ATOM 1989 N MET A 131 7.548 -35.196 -7.864 1.00 0.00 N ATOM 1990 CA MET A 131 7.700 -36.593 -7.487 1.00 0.00 C ATOM 1991 C MET A 131 6.500 -37.059 -6.676 1.00 0.00 C ATOM 1992 O MET A 131 5.647 -36.253 -6.290 1.00 0.00 O ATOM 1993 CB MET A 131 8.981 -36.797 -6.679 1.00 0.00 C ATOM 1994 CG MET A 131 10.245 -36.421 -7.433 1.00 0.00 C ATOM 1995 SD MET A 131 10.454 -37.361 -8.955 1.00 0.00 S ATOM 1996 CE MET A 131 11.973 -36.649 -9.578 1.00 0.00 C ATOM 0 H MET A 131 7.692 -34.536 -7.100 1.00 0.00 H new ATOM 0 HA MET A 131 7.763 -37.185 -8.400 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.923 -36.204 -5.766 1.00 0.00 H new ATOM 0 HB3 MET A 131 9.046 -37.842 -6.376 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.219 -35.357 -7.669 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.109 -36.584 -6.789 1.00 0.00 H new ATOM 0 HE1 MET A 131 12.239 -37.127 -10.521 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.834 -35.580 -9.739 1.00 0.00 H new ATOM 0 HE3 MET A 131 12.772 -36.806 -8.854 1.00 0.00 H new ATOM 2006 N ASP A 132 6.435 -38.354 -6.411 1.00 0.00 N ATOM 2007 CA ASP A 132 5.328 -38.924 -5.654 1.00 0.00 C ATOM 2008 C ASP A 132 5.764 -39.230 -4.228 1.00 0.00 C ATOM 2009 O ASP A 132 6.898 -38.931 -3.848 1.00 0.00 O ATOM 2010 CB ASP A 132 4.809 -40.193 -6.334 1.00 0.00 C ATOM 2011 CG ASP A 132 4.314 -39.932 -7.742 1.00 0.00 C ATOM 2012 OD1 ASP A 132 3.324 -39.183 -7.900 1.00 0.00 O ATOM 2013 OD2 ASP A 132 4.913 -40.470 -8.695 1.00 0.00 O ATOM 0 H ASP A 132 7.136 -39.032 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 132 4.520 -38.193 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 132 5.605 -40.938 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.999 -40.615 -5.739 1.00 0.00 H new ATOM 2018 N LEU A 133 4.851 -39.815 -3.449 1.00 0.00 N ATOM 2019 CA LEU A 133 5.109 -40.158 -2.049 1.00 0.00 C ATOM 2020 C LEU A 133 5.617 -38.943 -1.279 1.00 0.00 C ATOM 2021 O LEU A 133 6.773 -38.894 -0.853 1.00 0.00 O ATOM 2022 CB LEU A 133 6.106 -41.324 -1.926 1.00 0.00 C ATOM 2023 CG LEU A 133 5.542 -42.727 -2.205 1.00 0.00 C ATOM 2024 CD1 LEU A 133 5.148 -42.887 -3.667 1.00 0.00 C ATOM 2025 CD2 LEU A 133 6.556 -43.789 -1.814 1.00 0.00 C ATOM 0 H LEU A 133 3.915 -40.063 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 133 4.163 -40.479 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.932 -41.143 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.522 -41.315 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 133 4.644 -42.853 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.753 -43.890 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.385 -42.151 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.023 -42.735 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.144 -44.778 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.469 -43.651 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.783 -43.701 -0.752 1.00 0.00 H new ATOM 2037 N VAL A 134 4.748 -37.958 -1.109 1.00 0.00 N ATOM 2038 CA VAL A 134 5.131 -36.711 -0.473 1.00 0.00 C ATOM 2039 C VAL A 134 5.137 -36.855 1.052 1.00 0.00 C ATOM 2040 O VAL A 134 4.100 -36.758 1.712 1.00 0.00 O ATOM 2041 CB VAL A 134 4.224 -35.535 -0.925 1.00 0.00 C ATOM 2042 CG1 VAL A 134 2.746 -35.865 -0.745 1.00 0.00 C ATOM 2043 CG2 VAL A 134 4.584 -34.254 -0.184 1.00 0.00 C ATOM 0 H VAL A 134 3.772 -38.000 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 134 6.146 -36.476 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 134 4.400 -35.377 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 134 2.142 -35.019 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 134 2.494 -36.742 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 134 2.544 -36.070 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.934 -33.445 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 134 4.453 -34.405 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 134 5.622 -33.994 -0.390 1.00 0.00 H new ATOM 2053 N ILE A 135 6.325 -37.124 1.588 1.00 0.00 N ATOM 2054 CA ILE A 135 6.535 -37.268 3.027 1.00 0.00 C ATOM 2055 C ILE A 135 5.713 -38.429 3.588 1.00 0.00 C ATOM 2056 O ILE A 135 4.601 -38.240 4.089 1.00 0.00 O ATOM 2057 CB ILE A 135 6.198 -35.968 3.805 1.00 0.00 C ATOM 2058 CG1 ILE A 135 6.886 -34.753 3.168 1.00 0.00 C ATOM 2059 CG2 ILE A 135 6.609 -36.097 5.267 1.00 0.00 C ATOM 2060 CD1 ILE A 135 8.383 -34.906 3.006 1.00 0.00 C ATOM 0 H ILE A 135 7.173 -37.249 1.035 1.00 0.00 H new ATOM 0 HA ILE A 135 7.596 -37.477 3.165 1.00 0.00 H new ATOM 0 HB ILE A 135 5.120 -35.817 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.442 -34.569 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 135 6.685 -33.873 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.365 -35.176 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 135 6.074 -36.930 5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.682 -36.277 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 135 8.793 -34.006 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 135 8.841 -35.058 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 135 8.594 -35.765 2.369 1.00 0.00 H new ATOM 2072 N GLY A 136 6.252 -39.632 3.474 1.00 0.00 N ATOM 2073 CA GLY A 136 5.565 -40.797 3.987 1.00 0.00 C ATOM 2074 C GLY A 136 6.432 -41.605 4.928 1.00 0.00 C ATOM 2075 O GLY A 136 7.126 -42.531 4.503 1.00 0.00 O ATOM 0 H GLY A 136 7.153 -39.822 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 136 4.661 -40.483 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 136 5.250 -41.427 3.155 1.00 0.00 H new ATOM 2079 N GLU A 137 6.410 -41.248 6.200 1.00 0.00 N ATOM 2080 CA GLU A 137 7.162 -41.976 7.207 1.00 0.00 C ATOM 2081 C GLU A 137 6.245 -42.367 8.359 1.00 0.00 C ATOM 2082 O GLU A 137 5.878 -41.530 9.186 1.00 0.00 O ATOM 2083 CB GLU A 137 8.333 -41.134 7.719 1.00 0.00 C ATOM 2084 CG GLU A 137 9.319 -41.916 8.572 1.00 0.00 C ATOM 2085 CD GLU A 137 10.409 -41.043 9.152 1.00 0.00 C ATOM 2086 OE1 GLU A 137 11.389 -40.747 8.435 1.00 0.00 O ATOM 2087 OE2 GLU A 137 10.289 -40.646 10.330 1.00 0.00 O ATOM 0 H GLU A 137 5.878 -40.456 6.561 1.00 0.00 H new ATOM 0 HA GLU A 137 7.566 -42.881 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.862 -40.707 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.942 -40.300 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.782 -42.407 9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.772 -42.702 7.968 1.00 0.00 H new ATOM 2094 N VAL A 138 5.858 -43.633 8.394 1.00 0.00 N ATOM 2095 CA VAL A 138 4.980 -44.130 9.441 1.00 0.00 C ATOM 2096 C VAL A 138 5.575 -45.374 10.103 1.00 0.00 C ATOM 2097 O VAL A 138 5.948 -46.338 9.431 1.00 0.00 O ATOM 2098 CB VAL A 138 3.559 -44.434 8.895 1.00 0.00 C ATOM 2099 CG1 VAL A 138 3.610 -45.404 7.725 1.00 0.00 C ATOM 2100 CG2 VAL A 138 2.654 -44.971 9.997 1.00 0.00 C ATOM 0 H VAL A 138 6.138 -44.335 7.709 1.00 0.00 H new ATOM 0 HA VAL A 138 4.889 -43.346 10.192 1.00 0.00 H new ATOM 0 HB VAL A 138 3.139 -43.495 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.599 -45.595 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 138 4.205 -44.972 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 138 4.064 -46.341 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 138 1.665 -45.176 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.078 -45.891 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.571 -44.231 10.793 1.00 0.00 H new ATOM 2110 N LEU A 139 5.689 -45.330 11.423 1.00 0.00 N ATOM 2111 CA LEU A 139 6.221 -46.449 12.186 1.00 0.00 C ATOM 2112 C LEU A 139 5.098 -47.401 12.586 1.00 0.00 C ATOM 2113 O LEU A 139 5.031 -48.527 12.087 1.00 0.00 O ATOM 2114 CB LEU A 139 6.960 -45.947 13.431 1.00 0.00 C ATOM 2115 CG LEU A 139 7.609 -47.037 14.287 1.00 0.00 C ATOM 2116 CD1 LEU A 139 8.661 -47.789 13.484 1.00 0.00 C ATOM 2117 CD2 LEU A 139 8.221 -46.430 15.542 1.00 0.00 C ATOM 0 H LEU A 139 5.418 -44.526 11.990 1.00 0.00 H new ATOM 0 HA LEU A 139 6.929 -46.989 11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 139 7.733 -45.246 13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 139 6.257 -45.390 14.051 1.00 0.00 H new ATOM 0 HG LEU A 139 6.839 -47.747 14.589 1.00 0.00 H new ATOM 0 HD11 LEU A 139 9.112 -48.560 14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 139 8.193 -48.253 12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.432 -47.093 13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 139 8.679 -47.217 16.141 1.00 0.00 H new ATOM 0 HD22 LEU A 139 8.980 -45.700 15.260 1.00 0.00 H new ATOM 0 HD23 LEU A 139 7.443 -45.937 16.125 1.00 0.00 H new ATOM 2129 N ALA A 140 4.214 -46.918 13.463 1.00 0.00 N ATOM 2130 CA ALA A 140 3.089 -47.698 13.989 1.00 0.00 C ATOM 2131 C ALA A 140 3.556 -48.824 14.913 1.00 0.00 C ATOM 2132 O ALA A 140 4.457 -49.599 14.585 1.00 0.00 O ATOM 2133 CB ALA A 140 2.219 -48.244 12.863 1.00 0.00 C ATOM 0 H ALA A 140 4.259 -45.968 13.831 1.00 0.00 H new ATOM 0 HA ALA A 140 2.482 -47.017 14.586 1.00 0.00 H new ATOM 0 HB1 ALA A 140 1.394 -48.817 13.286 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.822 -47.416 12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 140 2.818 -48.890 12.221 1.00 0.00 H new ATOM 2139 N GLU A 141 2.940 -48.900 16.085 1.00 0.00 N ATOM 2140 CA GLU A 141 3.262 -49.941 17.047 1.00 0.00 C ATOM 2141 C GLU A 141 2.560 -51.244 16.678 1.00 0.00 C ATOM 2142 O GLU A 141 3.054 -52.333 16.971 1.00 0.00 O ATOM 2143 CB GLU A 141 2.866 -49.508 18.464 1.00 0.00 C ATOM 2144 CG GLU A 141 1.389 -49.175 18.620 1.00 0.00 C ATOM 2145 CD GLU A 141 1.038 -48.725 20.021 1.00 0.00 C ATOM 2146 OE1 GLU A 141 1.386 -47.580 20.386 1.00 0.00 O ATOM 2147 OE2 GLU A 141 0.414 -49.509 20.766 1.00 0.00 O ATOM 0 H GLU A 141 2.214 -48.252 16.391 1.00 0.00 H new ATOM 0 HA GLU A 141 4.339 -50.106 17.024 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.124 -50.305 19.162 1.00 0.00 H new ATOM 0 HB3 GLU A 141 3.456 -48.636 18.744 1.00 0.00 H new ATOM 0 HG2 GLU A 141 1.121 -48.390 17.913 1.00 0.00 H new ATOM 0 HG3 GLU A 141 0.794 -50.052 18.364 1.00 0.00 H new ATOM 2154 N VAL A 142 1.411 -51.122 16.029 1.00 0.00 N ATOM 2155 CA VAL A 142 0.629 -52.280 15.624 1.00 0.00 C ATOM 2156 C VAL A 142 -0.199 -51.967 14.375 1.00 0.00 C ATOM 2157 O VAL A 142 -0.998 -51.008 14.402 1.00 0.00 O ATOM 2158 CB VAL A 142 -0.285 -52.780 16.773 1.00 0.00 C ATOM 2159 CG1 VAL A 142 -1.206 -51.678 17.276 1.00 0.00 C ATOM 2160 CG2 VAL A 142 -1.089 -53.997 16.338 1.00 0.00 C ATOM 2161 OXT VAL A 142 -0.044 -52.680 13.366 1.00 0.00 O ATOM 0 H VAL A 142 0.998 -50.226 15.770 1.00 0.00 H new ATOM 0 HA VAL A 142 1.329 -53.081 15.384 1.00 0.00 H new ATOM 0 HB VAL A 142 0.362 -53.073 17.600 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.831 -52.065 18.080 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.608 -50.846 17.649 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.839 -51.332 16.459 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.722 -54.328 17.161 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.713 -53.734 15.484 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.409 -54.801 16.057 1.00 0.00 H new TER 2171 VAL A 142