USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 904 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 94 SER OG : rot -87:sc= 0.714 USER MOD Set 1.2: A 109 THR OG1 : rot -34:sc= 0.673 USER MOD Set 2.1: A 96 MET CE :methyl 156:sc= -2.49! (180deg=-3.4) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 THR OG1 : rot -140:sc= -1.1 USER MOD Set 3.2: A 65 SER OG : rot 171:sc= 0.0577 USER MOD Set 4.1: A 48 GLN : amide:sc= -4.85! C(o=-4.8!,f=-5.4!) USER MOD Set 4.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 31 THR OG1 : rot -84:sc= 0.687 USER MOD Set 5.2: A 32 HIS : no HD1:sc= 0.873 K(o=1.6,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0719 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.599 USER MOD Single : A 5 SER OG : rot 11:sc= 0.201 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 80:sc= 0.505 USER MOD Single : A 19 MET CE :methyl -171:sc= -2.58! (180deg=-2.91!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 38 SER OG : rot 2:sc= 0.608 USER MOD Single : A 42 ASN : amide:sc= -0.0649 K(o=-0.065,f=-1.2) USER MOD Single : A 43 SER OG : rot 170:sc= 0.00766 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -105:sc= 1.21 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 39:sc= 0.03 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -150:sc= 0.46 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.621 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.241 F(o=-2.5,f=-0.24) USER MOD Single : A 89 THR OG1 : rot -70:sc= -0.772 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.314 (180deg=-1.23) USER MOD Single : A 91 TYR OH : rot 93:sc= -1.2! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.4) USER MOD Single : A 104 SER OG : rot -73:sc= 0.427 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 107 SER OG : rot -71:sc= -2.15! USER MOD Single : A 108 MET CE :methyl -137:sc= 0 (180deg=-0.508) USER MOD Single : A 111 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-3.5!) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 114 THR OG1 : rot -169:sc= 1.73 USER MOD Single : A 115 TYR OH : rot 6:sc= 1.29 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.169 22.968 15.992 1.00 0.00 N ATOM 2 CA GLY A 1 -8.228 23.945 16.167 1.00 0.00 C ATOM 3 C GLY A 1 -8.890 23.846 17.527 1.00 0.00 C ATOM 4 O GLY A 1 -8.371 23.192 18.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.311 23.444 15.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.968 22.508 16.902 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.469 22.251 15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.819 24.947 16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.979 23.805 15.390 1.00 0.00 H new ATOM 8 N SER A 2 -10.039 24.498 17.673 1.00 0.00 N ATOM 9 CA SER A 2 -10.770 24.485 18.935 1.00 0.00 C ATOM 10 C SER A 2 -12.051 23.666 18.812 1.00 0.00 C ATOM 11 O SER A 2 -12.991 24.062 18.122 1.00 0.00 O ATOM 12 CB SER A 2 -11.104 25.914 19.370 1.00 0.00 C ATOM 13 OG SER A 2 -9.995 26.526 20.004 1.00 0.00 O ATOM 0 H SER A 2 -10.484 25.042 16.933 1.00 0.00 H new ATOM 0 HA SER A 2 -10.135 24.022 19.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.400 26.502 18.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.955 25.901 20.051 1.00 0.00 H new ATOM 0 HG SER A 2 -10.233 27.438 20.271 1.00 0.00 H new ATOM 19 N SER A 3 -12.081 22.521 19.486 1.00 0.00 N ATOM 20 CA SER A 3 -13.244 21.643 19.451 1.00 0.00 C ATOM 21 C SER A 3 -13.347 20.825 20.735 1.00 0.00 C ATOM 22 O SER A 3 -12.413 20.118 21.110 1.00 0.00 O ATOM 23 CB SER A 3 -13.167 20.708 18.242 1.00 0.00 C ATOM 24 OG SER A 3 -12.192 19.699 18.438 1.00 0.00 O ATOM 0 H SER A 3 -11.312 22.180 20.063 1.00 0.00 H new ATOM 0 HA SER A 3 -14.135 22.265 19.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.141 20.249 18.071 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.925 21.283 17.348 1.00 0.00 H new ATOM 0 HG SER A 3 -12.045 19.568 19.398 1.00 0.00 H new ATOM 30 N GLY A 4 -14.492 20.927 21.404 1.00 0.00 N ATOM 31 CA GLY A 4 -14.697 20.192 22.638 1.00 0.00 C ATOM 32 C GLY A 4 -15.002 21.102 23.811 1.00 0.00 C ATOM 33 O GLY A 4 -15.753 22.068 23.677 1.00 0.00 O ATOM 0 H GLY A 4 -15.280 21.505 21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.518 19.488 22.506 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.806 19.605 22.860 1.00 0.00 H new ATOM 37 N SER A 5 -14.420 20.794 24.965 1.00 0.00 N ATOM 38 CA SER A 5 -14.638 21.588 26.168 1.00 0.00 C ATOM 39 C SER A 5 -13.399 21.578 27.059 1.00 0.00 C ATOM 40 O SER A 5 -12.520 20.730 26.907 1.00 0.00 O ATOM 41 CB SER A 5 -15.843 21.056 26.945 1.00 0.00 C ATOM 42 OG SER A 5 -17.059 21.476 26.352 1.00 0.00 O ATOM 0 H SER A 5 -13.793 19.999 25.092 1.00 0.00 H new ATOM 0 HA SER A 5 -14.836 22.616 25.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.807 19.967 26.976 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.798 21.406 27.976 1.00 0.00 H new ATOM 0 HG SER A 5 -16.875 21.873 25.475 1.00 0.00 H new ATOM 48 N SER A 6 -13.337 22.527 27.987 1.00 0.00 N ATOM 49 CA SER A 6 -12.205 22.630 28.901 1.00 0.00 C ATOM 50 C SER A 6 -11.755 21.248 29.366 1.00 0.00 C ATOM 51 O SER A 6 -12.372 20.644 30.242 1.00 0.00 O ATOM 52 CB SER A 6 -12.574 23.492 30.109 1.00 0.00 C ATOM 53 OG SER A 6 -11.437 23.763 30.909 1.00 0.00 O ATOM 0 H SER A 6 -14.057 23.236 28.126 1.00 0.00 H new ATOM 0 HA SER A 6 -11.380 23.101 28.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.015 24.429 29.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.330 22.982 30.706 1.00 0.00 H new ATOM 0 HG SER A 6 -11.700 24.317 31.674 1.00 0.00 H new ATOM 59 N GLY A 7 -10.673 20.754 28.772 1.00 0.00 N ATOM 60 CA GLY A 7 -10.157 19.448 29.138 1.00 0.00 C ATOM 61 C GLY A 7 -8.793 19.174 28.537 1.00 0.00 C ATOM 62 O GLY A 7 -7.941 20.062 28.482 1.00 0.00 O ATOM 0 H GLY A 7 -10.145 21.235 28.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.093 19.377 30.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.856 18.679 28.809 1.00 0.00 H new ATOM 66 N PHE A 8 -8.582 17.941 28.088 1.00 0.00 N ATOM 67 CA PHE A 8 -7.310 17.552 27.491 1.00 0.00 C ATOM 68 C PHE A 8 -6.931 18.497 26.354 1.00 0.00 C ATOM 69 O PHE A 8 -7.585 18.549 25.312 1.00 0.00 O ATOM 70 CB PHE A 8 -7.384 16.115 26.972 1.00 0.00 C ATOM 71 CG PHE A 8 -6.117 15.648 26.315 1.00 0.00 C ATOM 72 CD1 PHE A 8 -5.869 15.927 24.980 1.00 0.00 C ATOM 73 CD2 PHE A 8 -5.172 14.932 27.032 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.704 15.498 24.373 1.00 0.00 C ATOM 75 CE2 PHE A 8 -4.005 14.501 26.431 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.770 14.785 25.100 1.00 0.00 C ATOM 0 H PHE A 8 -9.276 17.194 28.126 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.542 17.613 28.262 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.620 15.449 27.802 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.204 16.037 26.258 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.595 16.486 24.408 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.350 14.708 28.073 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.524 15.720 23.331 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.277 13.943 27.001 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.858 14.450 24.628 1.00 0.00 H new ATOM 86 N PRO A 9 -5.849 19.262 26.557 1.00 0.00 N ATOM 87 CA PRO A 9 -5.358 20.219 25.561 1.00 0.00 C ATOM 88 C PRO A 9 -4.761 19.529 24.340 1.00 0.00 C ATOM 89 O PRO A 9 -4.652 18.303 24.297 1.00 0.00 O ATOM 90 CB PRO A 9 -4.277 20.996 26.318 1.00 0.00 C ATOM 91 CG PRO A 9 -3.816 20.062 27.384 1.00 0.00 C ATOM 92 CD PRO A 9 -5.021 19.253 27.775 1.00 0.00 C ATOM 0 HA PRO A 9 -6.159 20.847 25.170 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.457 21.279 25.658 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.676 21.917 26.744 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.015 19.418 27.019 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.420 20.610 28.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.747 18.239 28.067 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.546 19.697 28.621 1.00 0.00 H new ATOM 100 N THR A 10 -4.374 20.324 23.347 1.00 0.00 N ATOM 101 CA THR A 10 -3.789 19.790 22.124 1.00 0.00 C ATOM 102 C THR A 10 -2.591 20.622 21.678 1.00 0.00 C ATOM 103 O THR A 10 -2.482 21.801 22.015 1.00 0.00 O ATOM 104 CB THR A 10 -4.820 19.743 20.981 1.00 0.00 C ATOM 105 OG1 THR A 10 -5.465 21.015 20.850 1.00 0.00 O ATOM 106 CG2 THR A 10 -5.862 18.664 21.237 1.00 0.00 C ATOM 0 H THR A 10 -4.455 21.341 23.366 1.00 0.00 H new ATOM 0 HA THR A 10 -3.460 18.775 22.349 1.00 0.00 H new ATOM 0 HB THR A 10 -4.294 19.506 20.056 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.118 20.977 20.120 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.580 18.649 20.417 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.371 17.693 21.307 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.383 18.875 22.171 1.00 0.00 H new ATOM 114 N SER A 11 -1.695 20.001 20.918 1.00 0.00 N ATOM 115 CA SER A 11 -0.504 20.684 20.428 1.00 0.00 C ATOM 116 C SER A 11 -0.048 20.095 19.096 1.00 0.00 C ATOM 117 O SER A 11 -0.175 18.893 18.860 1.00 0.00 O ATOM 118 CB SER A 11 0.626 20.584 21.456 1.00 0.00 C ATOM 119 OG SER A 11 1.651 21.522 21.179 1.00 0.00 O ATOM 0 H SER A 11 -1.771 19.026 20.628 1.00 0.00 H new ATOM 0 HA SER A 11 -0.755 21.734 20.274 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.229 20.759 22.456 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.040 19.576 21.449 1.00 0.00 H new ATOM 0 HG SER A 11 2.360 21.439 21.850 1.00 0.00 H new ATOM 125 N VAL A 12 0.483 20.951 18.229 1.00 0.00 N ATOM 126 CA VAL A 12 0.959 20.517 16.921 1.00 0.00 C ATOM 127 C VAL A 12 1.648 19.160 17.009 1.00 0.00 C ATOM 128 O VAL A 12 2.235 18.799 18.029 1.00 0.00 O ATOM 129 CB VAL A 12 1.937 21.539 16.312 1.00 0.00 C ATOM 130 CG1 VAL A 12 1.242 22.872 16.081 1.00 0.00 C ATOM 131 CG2 VAL A 12 3.154 21.710 17.208 1.00 0.00 C ATOM 0 H VAL A 12 0.594 21.949 18.409 1.00 0.00 H new ATOM 0 HA VAL A 12 0.083 20.435 16.277 1.00 0.00 H new ATOM 0 HB VAL A 12 2.275 21.162 15.347 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.949 23.581 15.650 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.405 22.732 15.396 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.873 23.259 17.031 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.835 22.436 16.763 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.837 22.064 18.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.664 20.753 17.316 1.00 0.00 H new ATOM 141 N PRO A 13 1.577 18.387 15.915 1.00 0.00 N ATOM 142 CA PRO A 13 2.190 17.058 15.843 1.00 0.00 C ATOM 143 C PRO A 13 3.713 17.122 15.818 1.00 0.00 C ATOM 144 O PRO A 13 4.295 18.184 15.599 1.00 0.00 O ATOM 145 CB PRO A 13 1.657 16.492 14.524 1.00 0.00 C ATOM 146 CG PRO A 13 1.342 17.691 13.698 1.00 0.00 C ATOM 147 CD PRO A 13 0.893 18.753 14.663 1.00 0.00 C ATOM 0 HA PRO A 13 1.946 16.449 16.714 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.398 15.859 14.036 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.771 15.879 14.686 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.217 18.019 13.137 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.561 17.469 12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.178 19.749 14.326 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.190 18.755 14.783 1.00 0.00 H new ATOM 155 N ASP A 14 4.352 15.979 16.043 1.00 0.00 N ATOM 156 CA ASP A 14 5.809 15.906 16.045 1.00 0.00 C ATOM 157 C ASP A 14 6.329 15.402 14.702 1.00 0.00 C ATOM 158 O ASP A 14 5.579 14.833 13.908 1.00 0.00 O ATOM 159 CB ASP A 14 6.293 14.990 17.170 1.00 0.00 C ATOM 160 CG ASP A 14 7.667 15.377 17.681 1.00 0.00 C ATOM 161 OD1 ASP A 14 7.782 16.441 18.325 1.00 0.00 O ATOM 162 OD2 ASP A 14 8.626 14.616 17.437 1.00 0.00 O ATOM 0 H ASP A 14 3.885 15.091 16.226 1.00 0.00 H new ATOM 0 HA ASP A 14 6.199 16.910 16.212 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.580 15.023 17.994 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.318 13.961 16.811 1.00 0.00 H new ATOM 167 N LEU A 15 7.617 15.616 14.455 1.00 0.00 N ATOM 168 CA LEU A 15 8.238 15.184 13.207 1.00 0.00 C ATOM 169 C LEU A 15 7.307 15.425 12.023 1.00 0.00 C ATOM 170 O LEU A 15 7.180 14.579 11.138 1.00 0.00 O ATOM 171 CB LEU A 15 8.609 13.702 13.285 1.00 0.00 C ATOM 172 CG LEU A 15 9.928 13.377 13.988 1.00 0.00 C ATOM 173 CD1 LEU A 15 10.002 11.896 14.325 1.00 0.00 C ATOM 174 CD2 LEU A 15 11.109 13.788 13.121 1.00 0.00 C ATOM 0 H LEU A 15 8.251 16.085 15.101 1.00 0.00 H new ATOM 0 HA LEU A 15 9.144 15.772 13.059 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.806 13.174 13.799 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.653 13.305 12.271 1.00 0.00 H new ATOM 0 HG LEU A 15 9.971 13.943 14.919 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.947 11.683 14.825 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.175 11.631 14.984 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.937 11.310 13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.039 13.550 13.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.070 13.249 12.174 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.065 14.860 12.930 1.00 0.00 H new ATOM 186 N SER A 16 6.658 16.585 12.013 1.00 0.00 N ATOM 187 CA SER A 16 5.737 16.937 10.939 1.00 0.00 C ATOM 188 C SER A 16 6.480 17.087 9.615 1.00 0.00 C ATOM 189 O SER A 16 7.708 17.021 9.566 1.00 0.00 O ATOM 190 CB SER A 16 5.002 18.236 11.274 1.00 0.00 C ATOM 191 OG SER A 16 5.915 19.272 11.594 1.00 0.00 O ATOM 0 H SER A 16 6.753 17.297 12.737 1.00 0.00 H new ATOM 0 HA SER A 16 5.009 16.132 10.839 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.387 18.538 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.327 18.069 12.114 1.00 0.00 H new ATOM 0 HG SER A 16 5.420 20.092 11.802 1.00 0.00 H new ATOM 197 N THR A 17 5.724 17.290 8.539 1.00 0.00 N ATOM 198 CA THR A 17 6.308 17.448 7.214 1.00 0.00 C ATOM 199 C THR A 17 5.496 18.421 6.367 1.00 0.00 C ATOM 200 O THR A 17 4.279 18.542 6.513 1.00 0.00 O ATOM 201 CB THR A 17 6.402 16.099 6.476 1.00 0.00 C ATOM 202 OG1 THR A 17 5.113 15.475 6.430 1.00 0.00 O ATOM 203 CG2 THR A 17 7.394 15.173 7.165 1.00 0.00 C ATOM 0 H THR A 17 4.706 17.349 8.561 1.00 0.00 H new ATOM 0 HA THR A 17 7.312 17.846 7.358 1.00 0.00 H new ATOM 0 HB THR A 17 6.750 16.289 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.580 15.878 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.443 14.227 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.380 15.638 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.070 14.990 8.190 1.00 0.00 H new ATOM 211 N PRO A 18 6.181 19.133 5.460 1.00 0.00 N ATOM 212 CA PRO A 18 5.542 20.108 4.572 1.00 0.00 C ATOM 213 C PRO A 18 4.655 19.443 3.524 1.00 0.00 C ATOM 214 O PRO A 18 4.108 20.110 2.647 1.00 0.00 O ATOM 215 CB PRO A 18 6.727 20.808 3.902 1.00 0.00 C ATOM 216 CG PRO A 18 7.835 19.814 3.959 1.00 0.00 C ATOM 217 CD PRO A 18 7.633 19.040 5.232 1.00 0.00 C ATOM 0 HA PRO A 18 4.882 20.784 5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.494 21.083 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.992 21.727 4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.811 19.153 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.805 20.311 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.958 18.005 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.198 19.471 6.058 1.00 0.00 H new ATOM 225 N MET A 19 4.517 18.125 3.623 1.00 0.00 N ATOM 226 CA MET A 19 3.694 17.371 2.684 1.00 0.00 C ATOM 227 C MET A 19 2.725 16.455 3.425 1.00 0.00 C ATOM 228 O MET A 19 2.930 16.135 4.596 1.00 0.00 O ATOM 229 CB MET A 19 4.578 16.546 1.747 1.00 0.00 C ATOM 230 CG MET A 19 5.229 17.368 0.646 1.00 0.00 C ATOM 231 SD MET A 19 4.038 17.979 -0.562 1.00 0.00 S ATOM 232 CE MET A 19 3.728 16.493 -1.513 1.00 0.00 C ATOM 0 H MET A 19 4.964 17.557 4.343 1.00 0.00 H new ATOM 0 HA MET A 19 3.115 18.082 2.094 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.356 16.056 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.977 15.758 1.294 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.755 18.213 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.977 16.759 0.137 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.137 16.742 -2.394 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.677 16.056 -1.824 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.182 15.776 -0.900 1.00 0.00 H new ATOM 242 N LEU A 20 1.669 16.036 2.735 1.00 0.00 N ATOM 243 CA LEU A 20 0.668 15.157 3.328 1.00 0.00 C ATOM 244 C LEU A 20 0.334 14.002 2.390 1.00 0.00 C ATOM 245 O LEU A 20 -0.204 14.191 1.299 1.00 0.00 O ATOM 246 CB LEU A 20 -0.601 15.945 3.657 1.00 0.00 C ATOM 247 CG LEU A 20 -1.437 15.416 4.823 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.002 14.042 4.495 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.604 15.363 6.095 1.00 0.00 C ATOM 0 H LEU A 20 1.485 16.291 1.765 1.00 0.00 H new ATOM 0 HA LEU A 20 1.081 14.745 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.318 16.975 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.230 15.970 2.767 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.271 16.099 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.594 13.682 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.634 14.110 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.183 13.348 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.215 14.984 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.250 14.703 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.249 16.364 6.340 1.00 0.00 H new ATOM 261 N PRO A 21 0.658 12.774 2.824 1.00 0.00 N ATOM 262 CA PRO A 21 0.399 11.563 2.039 1.00 0.00 C ATOM 263 C PRO A 21 -1.089 11.243 1.941 1.00 0.00 C ATOM 264 O PRO A 21 -1.922 11.833 2.630 1.00 0.00 O ATOM 265 CB PRO A 21 1.130 10.470 2.822 1.00 0.00 C ATOM 266 CG PRO A 21 1.186 10.979 4.221 1.00 0.00 C ATOM 267 CD PRO A 21 1.301 12.474 4.114 1.00 0.00 C ATOM 0 HA PRO A 21 0.736 11.666 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.598 9.520 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.130 10.298 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.291 10.695 4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.039 10.559 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.798 12.976 4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.341 12.799 4.130 1.00 0.00 H new ATOM 275 N PRO A 22 -1.433 10.287 1.066 1.00 0.00 N ATOM 276 CA PRO A 22 -2.822 9.866 0.858 1.00 0.00 C ATOM 277 C PRO A 22 -3.383 9.108 2.057 1.00 0.00 C ATOM 278 O PRO A 22 -2.667 8.827 3.017 1.00 0.00 O ATOM 279 CB PRO A 22 -2.735 8.947 -0.362 1.00 0.00 C ATOM 280 CG PRO A 22 -1.337 8.432 -0.351 1.00 0.00 C ATOM 281 CD PRO A 22 -0.492 9.542 0.212 1.00 0.00 C ATOM 0 HA PRO A 22 -3.490 10.716 0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.457 8.133 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.949 9.490 -1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.257 7.532 0.259 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.011 8.165 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.351 9.155 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.079 10.172 -0.576 1.00 0.00 H new ATOM 289 N VAL A 23 -4.670 8.780 1.994 1.00 0.00 N ATOM 290 CA VAL A 23 -5.327 8.054 3.073 1.00 0.00 C ATOM 291 C VAL A 23 -6.290 7.007 2.524 1.00 0.00 C ATOM 292 O VAL A 23 -6.420 6.842 1.312 1.00 0.00 O ATOM 293 CB VAL A 23 -6.100 9.008 4.003 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.173 10.080 4.557 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.274 9.635 3.267 1.00 0.00 C ATOM 0 H VAL A 23 -5.278 9.006 1.207 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.542 7.558 3.644 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.493 8.432 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.736 10.745 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.369 9.609 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.749 10.655 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.809 10.306 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.907 10.198 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.949 8.851 2.924 1.00 0.00 H new ATOM 305 N GLY A 24 -6.966 6.301 3.426 1.00 0.00 N ATOM 306 CA GLY A 24 -7.909 5.279 3.013 1.00 0.00 C ATOM 307 C GLY A 24 -7.319 4.322 1.996 1.00 0.00 C ATOM 308 O GLY A 24 -7.980 3.950 1.027 1.00 0.00 O ATOM 0 H GLY A 24 -6.877 6.419 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.238 4.718 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.793 5.755 2.589 1.00 0.00 H new ATOM 312 N VAL A 25 -6.070 3.924 2.216 1.00 0.00 N ATOM 313 CA VAL A 25 -5.390 3.005 1.310 1.00 0.00 C ATOM 314 C VAL A 25 -5.939 1.590 1.449 1.00 0.00 C ATOM 315 O VAL A 25 -5.966 1.029 2.544 1.00 0.00 O ATOM 316 CB VAL A 25 -3.872 2.983 1.569 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.143 2.315 0.413 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.350 4.393 1.795 1.00 0.00 C ATOM 0 H VAL A 25 -5.508 4.223 3.013 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.573 3.365 0.297 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.683 2.401 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.072 2.309 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.498 1.290 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.337 2.867 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.276 4.359 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.550 5.001 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.850 4.832 2.658 1.00 0.00 H new ATOM 328 N GLN A 26 -6.377 1.018 0.332 1.00 0.00 N ATOM 329 CA GLN A 26 -6.926 -0.333 0.329 1.00 0.00 C ATOM 330 C GLN A 26 -6.336 -1.158 -0.810 1.00 0.00 C ATOM 331 O GLN A 26 -6.272 -0.702 -1.951 1.00 0.00 O ATOM 332 CB GLN A 26 -8.450 -0.286 0.205 1.00 0.00 C ATOM 333 CG GLN A 26 -9.106 -1.657 0.246 1.00 0.00 C ATOM 334 CD GLN A 26 -10.610 -1.590 0.072 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.181 -0.510 -0.082 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.261 -2.747 0.095 1.00 0.00 N ATOM 0 H GLN A 26 -6.362 1.469 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.660 -0.809 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.853 0.325 1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.715 0.207 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.681 -2.282 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.875 -2.138 1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.747 -3.619 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.275 -2.764 -0.018 1.00 0.00 H new ATOM 345 N ALA A 27 -5.906 -2.374 -0.491 1.00 0.00 N ATOM 346 CA ALA A 27 -5.322 -3.264 -1.488 1.00 0.00 C ATOM 347 C ALA A 27 -6.316 -4.341 -1.910 1.00 0.00 C ATOM 348 O ALA A 27 -6.563 -5.295 -1.173 1.00 0.00 O ATOM 349 CB ALA A 27 -4.050 -3.899 -0.948 1.00 0.00 C ATOM 0 H ALA A 27 -5.951 -2.766 0.450 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.073 -2.671 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.625 -4.561 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.330 -3.119 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.282 -4.473 -0.051 1.00 0.00 H new ATOM 355 N VAL A 28 -6.884 -4.181 -3.102 1.00 0.00 N ATOM 356 CA VAL A 28 -7.850 -5.140 -3.623 1.00 0.00 C ATOM 357 C VAL A 28 -7.161 -6.221 -4.449 1.00 0.00 C ATOM 358 O VAL A 28 -6.365 -5.923 -5.339 1.00 0.00 O ATOM 359 CB VAL A 28 -8.917 -4.447 -4.491 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.127 -5.351 -4.673 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.322 -3.117 -3.875 1.00 0.00 C ATOM 0 H VAL A 28 -6.691 -3.396 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.336 -5.599 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.490 -4.251 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.870 -4.845 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.820 -6.276 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.559 -5.581 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.077 -2.641 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.731 -3.287 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.449 -2.469 -3.803 1.00 0.00 H new ATOM 371 N ALA A 29 -7.474 -7.477 -4.149 1.00 0.00 N ATOM 372 CA ALA A 29 -6.887 -8.603 -4.865 1.00 0.00 C ATOM 373 C ALA A 29 -7.778 -9.041 -6.022 1.00 0.00 C ATOM 374 O ALA A 29 -8.855 -9.602 -5.812 1.00 0.00 O ATOM 375 CB ALA A 29 -6.644 -9.765 -3.914 1.00 0.00 C ATOM 0 H ALA A 29 -8.131 -7.741 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.931 -8.281 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.205 -10.599 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.962 -9.452 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.590 -10.078 -3.473 1.00 0.00 H new ATOM 381 N LEU A 30 -7.324 -8.783 -7.243 1.00 0.00 N ATOM 382 CA LEU A 30 -8.081 -9.151 -8.435 1.00 0.00 C ATOM 383 C LEU A 30 -7.877 -10.623 -8.776 1.00 0.00 C ATOM 384 O LEU A 30 -8.840 -11.376 -8.930 1.00 0.00 O ATOM 385 CB LEU A 30 -7.662 -8.278 -9.619 1.00 0.00 C ATOM 386 CG LEU A 30 -7.607 -6.772 -9.357 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.829 -6.067 -10.458 1.00 0.00 C ATOM 388 CD2 LEU A 30 -9.012 -6.199 -9.243 1.00 0.00 C ATOM 0 H LEU A 30 -6.435 -8.320 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.139 -8.988 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.678 -8.604 -9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.355 -8.458 -10.441 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.091 -6.605 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.800 -4.996 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.812 -6.457 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.317 -6.241 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.954 -5.127 -9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.554 -6.377 -10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.536 -6.682 -8.419 1.00 0.00 H new ATOM 400 N THR A 31 -6.617 -11.030 -8.892 1.00 0.00 N ATOM 401 CA THR A 31 -6.286 -12.412 -9.214 1.00 0.00 C ATOM 402 C THR A 31 -4.969 -12.827 -8.567 1.00 0.00 C ATOM 403 O THR A 31 -4.293 -12.015 -7.936 1.00 0.00 O ATOM 404 CB THR A 31 -6.187 -12.626 -10.736 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.454 -13.996 -11.056 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.807 -12.240 -11.248 1.00 0.00 C ATOM 0 H THR A 31 -5.808 -10.421 -8.768 1.00 0.00 H new ATOM 0 HA THR A 31 -7.092 -13.030 -8.819 1.00 0.00 H new ATOM 0 HB THR A 31 -6.928 -11.989 -11.220 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.634 -14.522 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.761 -12.400 -12.325 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.618 -11.189 -11.028 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.052 -12.854 -10.758 1.00 0.00 H new ATOM 414 N HIS A 32 -4.611 -14.097 -8.728 1.00 0.00 N ATOM 415 CA HIS A 32 -3.373 -14.620 -8.160 1.00 0.00 C ATOM 416 C HIS A 32 -2.208 -13.673 -8.432 1.00 0.00 C ATOM 417 O HIS A 32 -1.426 -13.362 -7.534 1.00 0.00 O ATOM 418 CB HIS A 32 -3.068 -16.003 -8.736 1.00 0.00 C ATOM 419 CG HIS A 32 -3.214 -16.078 -10.224 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.438 -16.106 -10.859 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.282 -16.129 -11.204 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.252 -16.172 -12.165 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.953 -16.188 -12.401 1.00 0.00 N ATOM 0 H HIS A 32 -5.160 -14.783 -9.247 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.504 -14.705 -7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.050 -16.284 -8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.734 -16.734 -8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.210 -16.124 -11.070 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.030 -16.207 -12.913 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.518 -16.236 -13.323 1.00 0.00 H new ATOM 432 N ASP A 33 -2.099 -13.220 -9.676 1.00 0.00 N ATOM 433 CA ASP A 33 -1.029 -12.309 -10.067 1.00 0.00 C ATOM 434 C ASP A 33 -1.592 -10.943 -10.448 1.00 0.00 C ATOM 435 O ASP A 33 -1.161 -10.335 -11.427 1.00 0.00 O ATOM 436 CB ASP A 33 -0.236 -12.892 -11.237 1.00 0.00 C ATOM 437 CG ASP A 33 -1.119 -13.240 -12.419 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.099 -12.507 -12.663 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.830 -14.247 -13.100 1.00 0.00 O ATOM 0 H ASP A 33 -2.738 -13.469 -10.431 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.362 -12.183 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.522 -12.174 -11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.291 -13.787 -10.905 1.00 0.00 H new ATOM 444 N ALA A 34 -2.557 -10.468 -9.668 1.00 0.00 N ATOM 445 CA ALA A 34 -3.177 -9.174 -9.923 1.00 0.00 C ATOM 446 C ALA A 34 -3.747 -8.576 -8.641 1.00 0.00 C ATOM 447 O ALA A 34 -4.404 -9.265 -7.861 1.00 0.00 O ATOM 448 CB ALA A 34 -4.269 -9.310 -10.975 1.00 0.00 C ATOM 0 H ALA A 34 -2.926 -10.960 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.408 -8.498 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.724 -8.336 -11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.836 -9.686 -11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.030 -10.006 -10.622 1.00 0.00 H new ATOM 454 N VAL A 35 -3.491 -7.289 -8.429 1.00 0.00 N ATOM 455 CA VAL A 35 -3.978 -6.598 -7.242 1.00 0.00 C ATOM 456 C VAL A 35 -4.271 -5.132 -7.541 1.00 0.00 C ATOM 457 O VAL A 35 -3.376 -4.372 -7.912 1.00 0.00 O ATOM 458 CB VAL A 35 -2.963 -6.682 -6.087 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.235 -5.597 -5.056 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.000 -8.060 -5.444 1.00 0.00 C ATOM 0 H VAL A 35 -2.949 -6.704 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.900 -7.096 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.964 -6.522 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.508 -5.673 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.153 -4.618 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.240 -5.722 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.276 -8.101 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.999 -8.252 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.751 -8.816 -6.189 1.00 0.00 H new ATOM 470 N ARG A 36 -5.531 -4.740 -7.375 1.00 0.00 N ATOM 471 CA ARG A 36 -5.942 -3.365 -7.628 1.00 0.00 C ATOM 472 C ARG A 36 -5.888 -2.537 -6.347 1.00 0.00 C ATOM 473 O ARG A 36 -6.827 -2.543 -5.551 1.00 0.00 O ATOM 474 CB ARG A 36 -7.357 -3.332 -8.210 1.00 0.00 C ATOM 475 CG ARG A 36 -7.926 -1.929 -8.350 1.00 0.00 C ATOM 476 CD ARG A 36 -7.143 -1.110 -9.364 1.00 0.00 C ATOM 477 NE ARG A 36 -7.988 -0.135 -10.049 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.738 -0.427 -11.105 1.00 0.00 C ATOM 479 NH1 ARG A 36 -8.749 -1.658 -11.595 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.481 0.515 -11.674 1.00 0.00 N ATOM 0 H ARG A 36 -6.284 -5.355 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.249 -2.932 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.349 -3.811 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.017 -3.920 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.970 -1.987 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.905 -1.428 -7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.327 -0.592 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.691 -1.777 -10.098 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.003 0.822 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.180 -2.385 -11.161 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.326 -1.879 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.476 1.464 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.057 0.290 -12.485 1.00 0.00 H new ATOM 494 N VAL A 37 -4.782 -1.825 -6.155 1.00 0.00 N ATOM 495 CA VAL A 37 -4.605 -0.992 -4.972 1.00 0.00 C ATOM 496 C VAL A 37 -5.169 0.407 -5.196 1.00 0.00 C ATOM 497 O VAL A 37 -4.631 1.185 -5.983 1.00 0.00 O ATOM 498 CB VAL A 37 -3.119 -0.879 -4.582 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.957 -0.019 -3.338 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.518 -2.260 -4.368 1.00 0.00 C ATOM 0 H VAL A 37 -3.995 -1.809 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.150 -1.474 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.582 -0.397 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.901 0.049 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.348 0.980 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.506 -0.469 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.468 -2.161 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.056 -2.771 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.599 -2.839 -5.288 1.00 0.00 H new ATOM 510 N SER A 38 -6.255 0.720 -4.497 1.00 0.00 N ATOM 511 CA SER A 38 -6.895 2.025 -4.622 1.00 0.00 C ATOM 512 C SER A 38 -6.906 2.754 -3.282 1.00 0.00 C ATOM 513 O SER A 38 -6.904 2.128 -2.222 1.00 0.00 O ATOM 514 CB SER A 38 -8.325 1.868 -5.143 1.00 0.00 C ATOM 515 OG SER A 38 -8.712 2.991 -5.915 1.00 0.00 O ATOM 0 H SER A 38 -6.710 0.088 -3.838 1.00 0.00 H new ATOM 0 HA SER A 38 -6.321 2.618 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.398 0.964 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.010 1.746 -4.304 1.00 0.00 H new ATOM 0 HG SER A 38 -7.964 3.621 -5.974 1.00 0.00 H new ATOM 521 N TRP A 39 -6.918 4.081 -3.338 1.00 0.00 N ATOM 522 CA TRP A 39 -6.930 4.897 -2.129 1.00 0.00 C ATOM 523 C TRP A 39 -7.782 6.146 -2.324 1.00 0.00 C ATOM 524 O TRP A 39 -8.356 6.356 -3.392 1.00 0.00 O ATOM 525 CB TRP A 39 -5.504 5.292 -1.742 1.00 0.00 C ATOM 526 CG TRP A 39 -4.763 5.992 -2.840 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.581 7.338 -2.977 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.105 5.380 -3.955 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.850 7.601 -4.111 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.545 6.416 -4.728 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.933 4.058 -4.375 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.828 6.169 -5.895 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.221 3.815 -5.534 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.675 4.866 -6.283 1.00 0.00 C ATOM 0 H TRP A 39 -6.920 4.615 -4.207 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.366 4.305 -1.325 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.539 5.940 -0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.952 4.397 -1.454 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.956 8.086 -2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.579 8.528 -4.440 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.349 3.241 -3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.407 6.978 -6.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.083 2.797 -5.868 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.123 4.643 -7.184 1.00 0.00 H new ATOM 545 N ALA A 40 -7.858 6.973 -1.286 1.00 0.00 N ATOM 546 CA ALA A 40 -8.638 8.203 -1.346 1.00 0.00 C ATOM 547 C ALA A 40 -7.733 9.429 -1.303 1.00 0.00 C ATOM 548 O ALA A 40 -6.596 9.358 -0.837 1.00 0.00 O ATOM 549 CB ALA A 40 -9.643 8.246 -0.204 1.00 0.00 C ATOM 0 H ALA A 40 -7.389 6.813 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.179 8.216 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.219 9.170 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.317 7.393 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.114 8.206 0.748 1.00 0.00 H new ATOM 555 N ASP A 41 -8.244 10.553 -1.793 1.00 0.00 N ATOM 556 CA ASP A 41 -7.482 11.796 -1.811 1.00 0.00 C ATOM 557 C ASP A 41 -8.100 12.827 -0.871 1.00 0.00 C ATOM 558 O ASP A 41 -9.142 13.408 -1.170 1.00 0.00 O ATOM 559 CB ASP A 41 -7.415 12.359 -3.231 1.00 0.00 C ATOM 560 CG ASP A 41 -6.496 13.560 -3.336 1.00 0.00 C ATOM 561 OD1 ASP A 41 -5.888 13.932 -2.311 1.00 0.00 O ATOM 562 OD2 ASP A 41 -6.385 14.128 -4.443 1.00 0.00 O ATOM 0 H ASP A 41 -9.183 10.629 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.471 11.577 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.069 11.581 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.417 12.643 -3.554 1.00 0.00 H new ATOM 567 N ASN A 42 -7.450 13.047 0.268 1.00 0.00 N ATOM 568 CA ASN A 42 -7.937 14.006 1.253 1.00 0.00 C ATOM 569 C ASN A 42 -7.054 15.250 1.283 1.00 0.00 C ATOM 570 O ASN A 42 -7.499 16.329 1.674 1.00 0.00 O ATOM 571 CB ASN A 42 -7.982 13.364 2.641 1.00 0.00 C ATOM 572 CG ASN A 42 -9.277 12.615 2.889 1.00 0.00 C ATOM 573 OD1 ASN A 42 -10.025 12.319 1.957 1.00 0.00 O ATOM 574 ND2 ASN A 42 -9.548 12.304 4.152 1.00 0.00 N ATOM 0 H ASN A 42 -6.585 12.574 0.531 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.945 14.305 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.142 12.678 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.861 14.137 3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.405 11.800 4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.899 12.569 4.893 1.00 0.00 H new ATOM 581 N SER A 43 -5.802 15.090 0.868 1.00 0.00 N ATOM 582 CA SER A 43 -4.855 16.199 0.851 1.00 0.00 C ATOM 583 C SER A 43 -4.983 17.002 -0.440 1.00 0.00 C ATOM 584 O SER A 43 -3.983 17.379 -1.052 1.00 0.00 O ATOM 585 CB SER A 43 -3.425 15.679 1.002 1.00 0.00 C ATOM 586 OG SER A 43 -3.146 14.670 0.046 1.00 0.00 O ATOM 0 H SER A 43 -5.419 14.204 0.539 1.00 0.00 H new ATOM 0 HA SER A 43 -5.086 16.854 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.721 16.502 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.283 15.281 2.007 1.00 0.00 H new ATOM 0 HG SER A 43 -2.187 14.468 0.054 1.00 0.00 H new ATOM 592 N VAL A 44 -6.221 17.262 -0.848 1.00 0.00 N ATOM 593 CA VAL A 44 -6.481 18.021 -2.066 1.00 0.00 C ATOM 594 C VAL A 44 -7.500 19.127 -1.816 1.00 0.00 C ATOM 595 O VAL A 44 -8.591 18.894 -1.296 1.00 0.00 O ATOM 596 CB VAL A 44 -6.996 17.110 -3.196 1.00 0.00 C ATOM 597 CG1 VAL A 44 -8.111 16.208 -2.689 1.00 0.00 C ATOM 598 CG2 VAL A 44 -7.468 17.943 -4.378 1.00 0.00 C ATOM 0 H VAL A 44 -7.060 16.958 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.533 18.465 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.175 16.477 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.462 15.572 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.735 15.585 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.936 16.820 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.829 17.283 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.275 18.602 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.639 18.541 -4.756 1.00 0.00 H new ATOM 608 N PRO A 45 -7.137 20.362 -2.195 1.00 0.00 N ATOM 609 CA PRO A 45 -8.006 21.530 -2.023 1.00 0.00 C ATOM 610 C PRO A 45 -9.216 21.494 -2.951 1.00 0.00 C ATOM 611 O PRO A 45 -9.080 21.291 -4.158 1.00 0.00 O ATOM 612 CB PRO A 45 -7.094 22.706 -2.379 1.00 0.00 C ATOM 613 CG PRO A 45 -6.064 22.126 -3.286 1.00 0.00 C ATOM 614 CD PRO A 45 -5.851 20.712 -2.821 1.00 0.00 C ATOM 0 HA PRO A 45 -8.421 21.584 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.651 23.504 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.639 23.138 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.400 22.149 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.136 22.696 -3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.614 20.047 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.026 20.642 -2.112 1.00 0.00 H new ATOM 622 N LYS A 46 -10.399 21.693 -2.381 1.00 0.00 N ATOM 623 CA LYS A 46 -11.634 21.686 -3.157 1.00 0.00 C ATOM 624 C LYS A 46 -11.701 22.895 -4.084 1.00 0.00 C ATOM 625 O LYS A 46 -11.029 23.901 -3.857 1.00 0.00 O ATOM 626 CB LYS A 46 -12.847 21.677 -2.224 1.00 0.00 C ATOM 627 CG LYS A 46 -14.177 21.704 -2.956 1.00 0.00 C ATOM 628 CD LYS A 46 -15.344 21.539 -1.997 1.00 0.00 C ATOM 629 CE LYS A 46 -15.664 22.841 -1.278 1.00 0.00 C ATOM 630 NZ LYS A 46 -16.949 22.761 -0.531 1.00 0.00 N ATOM 0 H LYS A 46 -10.529 21.861 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.646 20.782 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.805 20.787 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.790 22.539 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.278 22.646 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.200 20.907 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.222 21.200 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.108 20.766 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.857 23.082 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.716 23.653 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.131 23.668 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.724 22.556 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.891 22.003 0.179 1.00 0.00 H new ATOM 644 N ASN A 47 -12.517 22.791 -5.127 1.00 0.00 N ATOM 645 CA ASN A 47 -12.673 23.877 -6.088 1.00 0.00 C ATOM 646 C ASN A 47 -11.338 24.568 -6.348 1.00 0.00 C ATOM 647 O ASN A 47 -11.279 25.789 -6.496 1.00 0.00 O ATOM 648 CB ASN A 47 -13.696 24.894 -5.578 1.00 0.00 C ATOM 649 CG ASN A 47 -15.125 24.456 -5.836 1.00 0.00 C ATOM 650 OD1 ASN A 47 -15.415 23.806 -6.840 1.00 0.00 O ATOM 651 ND2 ASN A 47 -16.025 24.810 -4.926 1.00 0.00 N ATOM 0 H ASN A 47 -13.081 21.965 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.031 23.451 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.553 25.044 -4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.521 25.855 -6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -17.002 24.543 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.739 25.349 -4.109 1.00 0.00 H new ATOM 658 N GLN A 48 -10.270 23.779 -6.403 1.00 0.00 N ATOM 659 CA GLN A 48 -8.936 24.316 -6.645 1.00 0.00 C ATOM 660 C GLN A 48 -8.735 24.628 -8.124 1.00 0.00 C ATOM 661 O GLN A 48 -9.249 23.924 -8.994 1.00 0.00 O ATOM 662 CB GLN A 48 -7.871 23.325 -6.172 1.00 0.00 C ATOM 663 CG GLN A 48 -7.964 21.965 -6.843 1.00 0.00 C ATOM 664 CD GLN A 48 -7.636 22.020 -8.322 1.00 0.00 C ATOM 665 OE1 GLN A 48 -8.436 21.609 -9.163 1.00 0.00 O ATOM 666 NE2 GLN A 48 -6.454 22.531 -8.648 1.00 0.00 N ATOM 0 H GLN A 48 -10.302 22.767 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.837 25.243 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.884 23.747 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.961 23.195 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.282 21.273 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.971 21.568 -6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.822 22.860 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.179 22.595 -9.628 1.00 0.00 H new ATOM 675 N LYS A 49 -7.985 25.689 -8.404 1.00 0.00 N ATOM 676 CA LYS A 49 -7.714 26.095 -9.778 1.00 0.00 C ATOM 677 C LYS A 49 -6.220 26.040 -10.077 1.00 0.00 C ATOM 678 O LYS A 49 -5.784 25.334 -10.987 1.00 0.00 O ATOM 679 CB LYS A 49 -8.243 27.509 -10.027 1.00 0.00 C ATOM 680 CG LYS A 49 -8.313 27.882 -11.497 1.00 0.00 C ATOM 681 CD LYS A 49 -9.297 29.015 -11.739 1.00 0.00 C ATOM 682 CE LYS A 49 -9.907 28.935 -13.130 1.00 0.00 C ATOM 683 NZ LYS A 49 -11.166 29.724 -13.230 1.00 0.00 N ATOM 0 H LYS A 49 -7.554 26.284 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.225 25.400 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.238 27.598 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.603 28.224 -9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.324 28.178 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.610 27.011 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.089 28.977 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.789 29.972 -11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.189 29.303 -13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.111 27.893 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.550 29.644 -14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.861 29.357 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.968 30.723 -13.019 1.00 0.00 H new ATOM 697 N THR A 50 -5.438 26.788 -9.305 1.00 0.00 N ATOM 698 CA THR A 50 -3.992 26.824 -9.488 1.00 0.00 C ATOM 699 C THR A 50 -3.282 26.005 -8.416 1.00 0.00 C ATOM 700 O THR A 50 -3.307 26.355 -7.236 1.00 0.00 O ATOM 701 CB THR A 50 -3.457 28.268 -9.453 1.00 0.00 C ATOM 702 OG1 THR A 50 -4.472 29.177 -9.894 1.00 0.00 O ATOM 703 CG2 THR A 50 -2.225 28.409 -10.333 1.00 0.00 C ATOM 0 H THR A 50 -5.782 27.377 -8.547 1.00 0.00 H new ATOM 0 HA THR A 50 -3.786 26.392 -10.467 1.00 0.00 H new ATOM 0 HB THR A 50 -3.179 28.505 -8.426 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.125 30.093 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.865 29.437 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.444 27.737 -9.977 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.481 28.155 -11.361 1.00 0.00 H new ATOM 711 N SER A 51 -2.649 24.914 -8.834 1.00 0.00 N ATOM 712 CA SER A 51 -1.934 24.043 -7.908 1.00 0.00 C ATOM 713 C SER A 51 -0.739 23.386 -8.593 1.00 0.00 C ATOM 714 O SER A 51 -0.792 23.063 -9.779 1.00 0.00 O ATOM 715 CB SER A 51 -2.873 22.970 -7.355 1.00 0.00 C ATOM 716 OG SER A 51 -3.223 22.032 -8.358 1.00 0.00 O ATOM 0 H SER A 51 -2.616 24.612 -9.808 1.00 0.00 H new ATOM 0 HA SER A 51 -1.567 24.654 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.392 22.455 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.775 23.439 -6.961 1.00 0.00 H new ATOM 0 HG SER A 51 -3.822 21.356 -7.979 1.00 0.00 H new ATOM 722 N GLU A 52 0.336 23.192 -7.836 1.00 0.00 N ATOM 723 CA GLU A 52 1.544 22.574 -8.370 1.00 0.00 C ATOM 724 C GLU A 52 1.296 21.110 -8.723 1.00 0.00 C ATOM 725 O GLU A 52 0.551 20.412 -8.035 1.00 0.00 O ATOM 726 CB GLU A 52 2.688 22.680 -7.359 1.00 0.00 C ATOM 727 CG GLU A 52 3.128 24.108 -7.085 1.00 0.00 C ATOM 728 CD GLU A 52 3.828 24.256 -5.748 1.00 0.00 C ATOM 729 OE1 GLU A 52 3.187 23.994 -4.709 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.018 24.634 -5.741 1.00 0.00 O ATOM 0 H GLU A 52 0.395 23.454 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 52 1.822 23.107 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.377 22.218 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.541 22.110 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.797 24.437 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.258 24.764 -7.110 1.00 0.00 H new ATOM 737 N VAL A 53 1.925 20.652 -9.800 1.00 0.00 N ATOM 738 CA VAL A 53 1.774 19.272 -10.245 1.00 0.00 C ATOM 739 C VAL A 53 2.188 18.294 -9.152 1.00 0.00 C ATOM 740 O VAL A 53 3.125 18.552 -8.396 1.00 0.00 O ATOM 741 CB VAL A 53 2.609 18.995 -11.510 1.00 0.00 C ATOM 742 CG1 VAL A 53 2.321 17.601 -12.046 1.00 0.00 C ATOM 743 CG2 VAL A 53 2.335 20.051 -12.570 1.00 0.00 C ATOM 0 H VAL A 53 2.545 21.217 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 53 0.719 19.128 -10.477 1.00 0.00 H new ATOM 0 HB VAL A 53 3.665 19.044 -11.245 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.920 17.424 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.573 16.860 -11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.263 17.519 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.933 19.840 -13.457 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.277 20.036 -12.834 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.598 21.034 -12.180 1.00 0.00 H new ATOM 753 N ARG A 54 1.483 17.170 -9.073 1.00 0.00 N ATOM 754 CA ARG A 54 1.777 16.152 -8.071 1.00 0.00 C ATOM 755 C ARG A 54 1.776 14.760 -8.695 1.00 0.00 C ATOM 756 O ARG A 54 1.053 14.499 -9.657 1.00 0.00 O ATOM 757 CB ARG A 54 0.754 16.215 -6.935 1.00 0.00 C ATOM 758 CG ARG A 54 -0.637 16.624 -7.390 1.00 0.00 C ATOM 759 CD ARG A 54 -1.283 15.546 -8.246 1.00 0.00 C ATOM 760 NE ARG A 54 -2.740 15.652 -8.252 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.544 14.702 -8.715 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.036 13.579 -9.205 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.860 14.872 -8.687 1.00 0.00 N ATOM 0 H ARG A 54 0.704 16.941 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 54 2.770 16.350 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.697 15.238 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.103 16.921 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.262 16.822 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.577 17.553 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.910 15.622 -9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.992 14.564 -7.873 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.163 16.502 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.025 13.443 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.656 12.851 -9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.255 15.733 -8.309 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.476 14.141 -9.043 1.00 0.00 H new ATOM 777 N LEU A 55 2.591 13.869 -8.140 1.00 0.00 N ATOM 778 CA LEU A 55 2.685 12.502 -8.642 1.00 0.00 C ATOM 779 C LEU A 55 2.523 11.494 -7.508 1.00 0.00 C ATOM 780 O LEU A 55 2.972 11.728 -6.386 1.00 0.00 O ATOM 781 CB LEU A 55 4.028 12.286 -9.342 1.00 0.00 C ATOM 782 CG LEU A 55 4.435 10.832 -9.581 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.965 10.364 -10.950 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.942 10.671 -9.448 1.00 0.00 C ATOM 0 H LEU A 55 3.196 14.068 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 55 1.879 12.348 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.000 12.797 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.806 12.767 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 55 3.956 10.212 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.264 9.327 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.879 10.441 -11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.415 10.988 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.213 9.630 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.442 11.303 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.252 10.965 -8.445 1.00 0.00 H new ATOM 796 N TYR A 56 1.879 10.372 -7.810 1.00 0.00 N ATOM 797 CA TYR A 56 1.657 9.328 -6.817 1.00 0.00 C ATOM 798 C TYR A 56 2.474 8.082 -7.144 1.00 0.00 C ATOM 799 O TYR A 56 2.583 7.682 -8.303 1.00 0.00 O ATOM 800 CB TYR A 56 0.171 8.971 -6.745 1.00 0.00 C ATOM 801 CG TYR A 56 -0.655 9.974 -5.971 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.499 11.339 -6.179 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.591 9.557 -5.033 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.251 12.260 -5.474 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.348 10.470 -4.325 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.175 11.820 -4.549 1.00 0.00 C ATOM 807 OH TYR A 56 -2.926 12.733 -3.845 1.00 0.00 O ATOM 0 H TYR A 56 1.502 10.162 -8.734 1.00 0.00 H new ATOM 0 HA TYR A 56 1.980 9.709 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.225 8.891 -7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.063 7.990 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.222 11.686 -6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.729 8.501 -4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.116 13.318 -5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.072 10.129 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.530 12.259 -3.235 1.00 0.00 H new ATOM 817 N THR A 57 3.049 7.471 -6.112 1.00 0.00 N ATOM 818 CA THR A 57 3.857 6.271 -6.287 1.00 0.00 C ATOM 819 C THR A 57 3.294 5.107 -5.481 1.00 0.00 C ATOM 820 O THR A 57 2.570 5.306 -4.506 1.00 0.00 O ATOM 821 CB THR A 57 5.319 6.513 -5.867 1.00 0.00 C ATOM 822 OG1 THR A 57 5.788 7.751 -6.413 1.00 0.00 O ATOM 823 CG2 THR A 57 6.212 5.375 -6.336 1.00 0.00 C ATOM 0 H THR A 57 2.970 7.788 -5.146 1.00 0.00 H new ATOM 0 HA THR A 57 3.828 6.022 -7.348 1.00 0.00 H new ATOM 0 HB THR A 57 5.358 6.559 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.718 7.898 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.240 5.568 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.871 4.439 -5.894 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.167 5.301 -7.423 1.00 0.00 H new ATOM 831 N VAL A 58 3.632 3.889 -5.894 1.00 0.00 N ATOM 832 CA VAL A 58 3.162 2.691 -5.208 1.00 0.00 C ATOM 833 C VAL A 58 4.286 1.674 -5.046 1.00 0.00 C ATOM 834 O VAL A 58 4.908 1.260 -6.024 1.00 0.00 O ATOM 835 CB VAL A 58 1.994 2.033 -5.966 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.324 0.976 -5.102 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.989 3.085 -6.412 1.00 0.00 C ATOM 0 H VAL A 58 4.230 3.706 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 58 2.816 3.005 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 58 2.391 1.542 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.501 0.522 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.051 0.208 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.939 1.439 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.170 2.603 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.596 3.606 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.480 3.801 -7.071 1.00 0.00 H new ATOM 847 N ARG A 59 4.540 1.274 -3.804 1.00 0.00 N ATOM 848 CA ARG A 59 5.590 0.305 -3.513 1.00 0.00 C ATOM 849 C ARG A 59 4.997 -0.989 -2.964 1.00 0.00 C ATOM 850 O ARG A 59 3.954 -0.977 -2.311 1.00 0.00 O ATOM 851 CB ARG A 59 6.588 0.888 -2.511 1.00 0.00 C ATOM 852 CG ARG A 59 6.129 0.786 -1.065 1.00 0.00 C ATOM 853 CD ARG A 59 6.827 1.812 -0.186 1.00 0.00 C ATOM 854 NE ARG A 59 8.203 1.427 0.118 1.00 0.00 N ATOM 855 CZ ARG A 59 8.530 0.554 1.064 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.585 -0.022 1.795 1.00 0.00 N ATOM 857 NH2 ARG A 59 9.804 0.255 1.281 1.00 0.00 N ATOM 0 H ARG A 59 4.033 1.606 -2.983 1.00 0.00 H new ATOM 0 HA ARG A 59 6.111 0.080 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.542 0.371 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.764 1.936 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.050 0.934 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.332 -0.216 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.824 2.780 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.270 1.932 0.743 1.00 0.00 H new ATOM 0 HE ARG A 59 8.954 1.852 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.604 0.205 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.839 -0.692 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.534 0.696 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.054 -0.416 2.008 1.00 0.00 H new ATOM 871 N TRP A 60 5.670 -2.102 -3.232 1.00 0.00 N ATOM 872 CA TRP A 60 5.210 -3.405 -2.765 1.00 0.00 C ATOM 873 C TRP A 60 6.291 -4.463 -2.952 1.00 0.00 C ATOM 874 O TRP A 60 7.016 -4.455 -3.947 1.00 0.00 O ATOM 875 CB TRP A 60 3.940 -3.818 -3.511 1.00 0.00 C ATOM 876 CG TRP A 60 4.177 -4.132 -4.958 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.510 -5.344 -5.489 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.099 -3.217 -6.056 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.645 -5.239 -6.853 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.397 -3.944 -7.226 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.806 -1.855 -6.167 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.410 -3.354 -8.486 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.819 -1.271 -7.419 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.119 -2.019 -8.565 1.00 0.00 C ATOM 0 H TRP A 60 6.536 -2.129 -3.770 1.00 0.00 H new ATOM 0 HA TRP A 60 4.988 -3.324 -1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.508 -4.692 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.206 -3.016 -3.436 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.647 -6.252 -4.921 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.890 -6.001 -7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.574 -1.269 -5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.642 -3.929 -9.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.594 -0.219 -7.516 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.121 -1.533 -9.529 1.00 0.00 H new ATOM 895 N ARG A 61 6.395 -5.374 -1.989 1.00 0.00 N ATOM 896 CA ARG A 61 7.389 -6.439 -2.048 1.00 0.00 C ATOM 897 C ARG A 61 6.996 -7.600 -1.140 1.00 0.00 C ATOM 898 O ARG A 61 6.227 -7.430 -0.194 1.00 0.00 O ATOM 899 CB ARG A 61 8.764 -5.904 -1.645 1.00 0.00 C ATOM 900 CG ARG A 61 8.977 -5.842 -0.141 1.00 0.00 C ATOM 901 CD ARG A 61 10.420 -6.145 0.231 1.00 0.00 C ATOM 902 NE ARG A 61 10.743 -5.694 1.581 1.00 0.00 N ATOM 903 CZ ARG A 61 10.236 -6.241 2.680 1.00 0.00 C ATOM 904 NH1 ARG A 61 9.387 -7.256 2.589 1.00 0.00 N ATOM 905 NH2 ARG A 61 10.579 -5.775 3.874 1.00 0.00 N ATOM 0 H ARG A 61 5.803 -5.395 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 61 7.435 -6.803 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.534 -6.536 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.893 -4.906 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.706 -4.852 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.316 -6.556 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.596 -7.218 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.087 -5.661 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 61 11.394 -4.916 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.122 -7.619 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.999 -7.674 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.233 -4.996 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.189 -6.196 4.717 1.00 0.00 H new ATOM 919 N THR A 62 7.530 -8.781 -1.434 1.00 0.00 N ATOM 920 CA THR A 62 7.235 -9.971 -0.646 1.00 0.00 C ATOM 921 C THR A 62 7.100 -9.631 0.834 1.00 0.00 C ATOM 922 O THR A 62 7.923 -8.904 1.391 1.00 0.00 O ATOM 923 CB THR A 62 8.327 -11.044 -0.817 1.00 0.00 C ATOM 924 OG1 THR A 62 9.622 -10.435 -0.778 1.00 0.00 O ATOM 925 CG2 THR A 62 8.152 -11.790 -2.131 1.00 0.00 C ATOM 0 H THR A 62 8.170 -8.939 -2.213 1.00 0.00 H new ATOM 0 HA THR A 62 6.288 -10.366 -1.013 1.00 0.00 H new ATOM 0 HB THR A 62 8.236 -11.757 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.201 -10.855 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.935 -12.542 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.177 -12.277 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.219 -11.086 -2.961 1.00 0.00 H new ATOM 933 N SER A 63 6.058 -10.162 1.466 1.00 0.00 N ATOM 934 CA SER A 63 5.815 -9.912 2.882 1.00 0.00 C ATOM 935 C SER A 63 6.739 -10.760 3.750 1.00 0.00 C ATOM 936 O SER A 63 6.983 -11.930 3.458 1.00 0.00 O ATOM 937 CB SER A 63 4.355 -10.208 3.230 1.00 0.00 C ATOM 938 OG SER A 63 4.028 -11.559 2.952 1.00 0.00 O ATOM 0 H SER A 63 5.369 -10.768 1.020 1.00 0.00 H new ATOM 0 HA SER A 63 6.023 -8.861 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.180 -9.998 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.701 -9.548 2.660 1.00 0.00 H new ATOM 0 HG SER A 63 3.486 -11.603 2.137 1.00 0.00 H new ATOM 944 N PHE A 64 7.249 -10.160 4.821 1.00 0.00 N ATOM 945 CA PHE A 64 8.147 -10.859 5.733 1.00 0.00 C ATOM 946 C PHE A 64 9.149 -11.713 4.961 1.00 0.00 C ATOM 947 O PHE A 64 9.369 -12.879 5.289 1.00 0.00 O ATOM 948 CB PHE A 64 7.348 -11.737 6.697 1.00 0.00 C ATOM 949 CG PHE A 64 6.190 -11.024 7.336 1.00 0.00 C ATOM 950 CD1 PHE A 64 6.398 -10.117 8.362 1.00 0.00 C ATOM 951 CD2 PHE A 64 4.893 -11.262 6.911 1.00 0.00 C ATOM 952 CE1 PHE A 64 5.335 -9.461 8.952 1.00 0.00 C ATOM 953 CE2 PHE A 64 3.825 -10.609 7.497 1.00 0.00 C ATOM 954 CZ PHE A 64 4.047 -9.706 8.518 1.00 0.00 C ATOM 0 H PHE A 64 7.056 -9.192 5.078 1.00 0.00 H new ATOM 0 HA PHE A 64 8.697 -10.112 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.976 -12.609 6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.014 -12.105 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.403 -9.920 8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.714 -11.966 6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.511 -8.757 9.752 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.819 -10.805 7.157 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.215 -9.192 8.976 1.00 0.00 H new ATOM 964 N SER A 65 9.753 -11.124 3.934 1.00 0.00 N ATOM 965 CA SER A 65 10.728 -11.831 3.112 1.00 0.00 C ATOM 966 C SER A 65 12.151 -11.499 3.552 1.00 0.00 C ATOM 967 O SER A 65 12.450 -10.364 3.919 1.00 0.00 O ATOM 968 CB SER A 65 10.541 -11.471 1.637 1.00 0.00 C ATOM 969 OG SER A 65 10.917 -12.548 0.798 1.00 0.00 O ATOM 0 H SER A 65 9.584 -10.159 3.651 1.00 0.00 H new ATOM 0 HA SER A 65 10.566 -12.901 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.499 -11.209 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.138 -10.592 1.395 1.00 0.00 H new ATOM 0 HG SER A 65 10.659 -12.349 -0.126 1.00 0.00 H new ATOM 975 N ALA A 66 13.025 -12.500 3.511 1.00 0.00 N ATOM 976 CA ALA A 66 14.416 -12.316 3.902 1.00 0.00 C ATOM 977 C ALA A 66 15.105 -11.285 3.014 1.00 0.00 C ATOM 978 O ALA A 66 15.523 -10.227 3.484 1.00 0.00 O ATOM 979 CB ALA A 66 15.160 -13.642 3.849 1.00 0.00 C ATOM 0 H ALA A 66 12.793 -13.447 3.211 1.00 0.00 H new ATOM 0 HA ALA A 66 14.432 -11.944 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.198 -13.489 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.690 -14.350 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.126 -14.038 2.834 1.00 0.00 H new ATOM 985 N SER A 67 15.219 -11.601 1.728 1.00 0.00 N ATOM 986 CA SER A 67 15.861 -10.703 0.775 1.00 0.00 C ATOM 987 C SER A 67 14.913 -10.358 -0.370 1.00 0.00 C ATOM 988 O SER A 67 14.440 -11.241 -1.085 1.00 0.00 O ATOM 989 CB SER A 67 17.136 -11.341 0.221 1.00 0.00 C ATOM 990 OG SER A 67 18.078 -10.352 -0.159 1.00 0.00 O ATOM 0 H SER A 67 14.875 -12.471 1.322 1.00 0.00 H new ATOM 0 HA SER A 67 16.121 -9.783 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.575 -11.996 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.891 -11.964 -0.639 1.00 0.00 H new ATOM 0 HG SER A 67 18.885 -10.785 -0.508 1.00 0.00 H new ATOM 996 N ALA A 68 14.640 -9.068 -0.536 1.00 0.00 N ATOM 997 CA ALA A 68 13.751 -8.605 -1.593 1.00 0.00 C ATOM 998 C ALA A 68 13.882 -7.100 -1.801 1.00 0.00 C ATOM 999 O ALA A 68 14.029 -6.341 -0.843 1.00 0.00 O ATOM 1000 CB ALA A 68 12.310 -8.972 -1.270 1.00 0.00 C ATOM 0 H ALA A 68 15.022 -8.325 0.049 1.00 0.00 H new ATOM 0 HA ALA A 68 14.041 -9.100 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.657 -8.620 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.222 -10.055 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.018 -8.505 -0.330 1.00 0.00 H new ATOM 1006 N LYS A 69 13.829 -6.674 -3.059 1.00 0.00 N ATOM 1007 CA LYS A 69 13.941 -5.260 -3.393 1.00 0.00 C ATOM 1008 C LYS A 69 12.562 -4.628 -3.555 1.00 0.00 C ATOM 1009 O LYS A 69 11.763 -5.062 -4.385 1.00 0.00 O ATOM 1010 CB LYS A 69 14.749 -5.082 -4.681 1.00 0.00 C ATOM 1011 CG LYS A 69 16.248 -5.231 -4.483 1.00 0.00 C ATOM 1012 CD LYS A 69 16.840 -4.024 -3.775 1.00 0.00 C ATOM 1013 CE LYS A 69 18.145 -4.373 -3.076 1.00 0.00 C ATOM 1014 NZ LYS A 69 18.855 -3.158 -2.589 1.00 0.00 N ATOM 0 H LYS A 69 13.709 -7.289 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 69 14.457 -4.759 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.413 -5.814 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.542 -4.096 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.451 -6.131 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.733 -5.360 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.015 -3.227 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.126 -3.642 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.941 -5.036 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.790 -4.920 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.739 -3.438 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.073 -2.537 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.250 -2.649 -1.913 1.00 0.00 H new ATOM 1028 N TYR A 70 12.290 -3.601 -2.758 1.00 0.00 N ATOM 1029 CA TYR A 70 11.007 -2.910 -2.812 1.00 0.00 C ATOM 1030 C TYR A 70 10.740 -2.367 -4.213 1.00 0.00 C ATOM 1031 O TYR A 70 11.621 -1.786 -4.846 1.00 0.00 O ATOM 1032 CB TYR A 70 10.976 -1.767 -1.796 1.00 0.00 C ATOM 1033 CG TYR A 70 10.314 -2.138 -0.488 1.00 0.00 C ATOM 1034 CD1 TYR A 70 8.936 -2.050 -0.336 1.00 0.00 C ATOM 1035 CD2 TYR A 70 11.066 -2.574 0.595 1.00 0.00 C ATOM 1036 CE1 TYR A 70 8.326 -2.387 0.857 1.00 0.00 C ATOM 1037 CE2 TYR A 70 10.465 -2.915 1.791 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.095 -2.819 1.918 1.00 0.00 C ATOM 1039 OH TYR A 70 8.493 -3.156 3.108 1.00 0.00 O ATOM 0 H TYR A 70 12.941 -3.228 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 70 10.225 -3.628 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.997 -1.441 -1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.449 -0.918 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.331 -1.712 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.139 -2.648 0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.253 -2.313 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.065 -3.255 2.622 1.00 0.00 H new ATOM 0 HH TYR A 70 9.176 -3.441 3.751 1.00 0.00 H new ATOM 1049 N LYS A 71 9.515 -2.561 -4.691 1.00 0.00 N ATOM 1050 CA LYS A 71 9.127 -2.091 -6.016 1.00 0.00 C ATOM 1051 C LYS A 71 8.576 -0.670 -5.949 1.00 0.00 C ATOM 1052 O LYS A 71 8.257 -0.168 -4.871 1.00 0.00 O ATOM 1053 CB LYS A 71 8.082 -3.027 -6.626 1.00 0.00 C ATOM 1054 CG LYS A 71 8.135 -3.093 -8.142 1.00 0.00 C ATOM 1055 CD LYS A 71 7.549 -4.393 -8.665 1.00 0.00 C ATOM 1056 CE LYS A 71 7.679 -4.495 -10.177 1.00 0.00 C ATOM 1057 NZ LYS A 71 6.751 -5.512 -10.746 1.00 0.00 N ATOM 0 H LYS A 71 8.774 -3.041 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 71 10.015 -2.088 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.224 -4.029 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.089 -2.698 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.586 -2.250 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.169 -2.999 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.057 -5.236 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.498 -4.459 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.472 -3.523 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.705 -4.754 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.870 -5.551 -11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.964 -6.444 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.770 -5.251 -10.520 1.00 0.00 H new ATOM 1071 N SER A 72 8.466 -0.028 -7.107 1.00 0.00 N ATOM 1072 CA SER A 72 7.956 1.336 -7.179 1.00 0.00 C ATOM 1073 C SER A 72 7.417 1.642 -8.574 1.00 0.00 C ATOM 1074 O SER A 72 8.113 1.462 -9.572 1.00 0.00 O ATOM 1075 CB SER A 72 9.056 2.335 -6.815 1.00 0.00 C ATOM 1076 OG SER A 72 10.269 2.021 -7.476 1.00 0.00 O ATOM 0 H SER A 72 8.723 -0.430 -8.008 1.00 0.00 H new ATOM 0 HA SER A 72 7.139 1.430 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.741 3.343 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.214 2.330 -5.737 1.00 0.00 H new ATOM 0 HG SER A 72 10.076 1.721 -8.389 1.00 0.00 H new ATOM 1082 N GLU A 73 6.172 2.104 -8.632 1.00 0.00 N ATOM 1083 CA GLU A 73 5.539 2.434 -9.903 1.00 0.00 C ATOM 1084 C GLU A 73 4.908 3.822 -9.854 1.00 0.00 C ATOM 1085 O GLU A 73 4.176 4.150 -8.920 1.00 0.00 O ATOM 1086 CB GLU A 73 4.475 1.391 -10.254 1.00 0.00 C ATOM 1087 CG GLU A 73 4.047 1.425 -11.711 1.00 0.00 C ATOM 1088 CD GLU A 73 3.416 2.747 -12.104 1.00 0.00 C ATOM 1089 OE1 GLU A 73 2.682 3.323 -11.273 1.00 0.00 O ATOM 1090 OE2 GLU A 73 3.656 3.205 -13.240 1.00 0.00 O ATOM 0 H GLU A 73 5.582 2.258 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 73 6.310 2.432 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.860 0.398 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.600 1.550 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.914 1.238 -12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.337 0.619 -11.896 1.00 0.00 H new ATOM 1097 N ASP A 74 5.199 4.634 -10.864 1.00 0.00 N ATOM 1098 CA ASP A 74 4.662 5.988 -10.937 1.00 0.00 C ATOM 1099 C ASP A 74 3.306 5.997 -11.636 1.00 0.00 C ATOM 1100 O ASP A 74 3.178 5.541 -12.773 1.00 0.00 O ATOM 1101 CB ASP A 74 5.636 6.907 -11.675 1.00 0.00 C ATOM 1102 CG ASP A 74 5.421 6.895 -13.175 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.447 5.797 -13.770 1.00 0.00 O ATOM 1104 OD2 ASP A 74 5.225 7.983 -13.755 1.00 0.00 O ATOM 0 H ASP A 74 5.804 4.378 -11.644 1.00 0.00 H new ATOM 0 HA ASP A 74 4.529 6.355 -9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.523 7.925 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.658 6.599 -11.455 1.00 0.00 H new ATOM 1109 N THR A 75 2.294 6.518 -10.949 1.00 0.00 N ATOM 1110 CA THR A 75 0.948 6.585 -11.502 1.00 0.00 C ATOM 1111 C THR A 75 0.242 7.868 -11.079 1.00 0.00 C ATOM 1112 O THR A 75 0.413 8.341 -9.955 1.00 0.00 O ATOM 1113 CB THR A 75 0.100 5.377 -11.063 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.161 5.390 -11.742 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.129 5.394 -9.559 1.00 0.00 C ATOM 0 H THR A 75 2.382 6.900 -10.007 1.00 0.00 H new ATOM 0 HA THR A 75 1.051 6.572 -12.587 1.00 0.00 H new ATOM 0 HB THR A 75 0.643 4.468 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.693 4.618 -11.458 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.730 4.531 -9.273 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.831 5.354 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.652 6.309 -9.281 1.00 0.00 H new ATOM 1123 N THR A 76 -0.552 8.428 -11.986 1.00 0.00 N ATOM 1124 CA THR A 76 -1.284 9.657 -11.706 1.00 0.00 C ATOM 1125 C THR A 76 -2.743 9.365 -11.375 1.00 0.00 C ATOM 1126 O THR A 76 -3.609 10.227 -11.527 1.00 0.00 O ATOM 1127 CB THR A 76 -1.225 10.629 -12.899 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.771 10.006 -14.067 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.207 11.064 -13.173 1.00 0.00 C ATOM 0 H THR A 76 -0.705 8.050 -12.921 1.00 0.00 H new ATOM 0 HA THR A 76 -0.805 10.121 -10.844 1.00 0.00 H new ATOM 0 HB THR A 76 -1.815 11.511 -12.649 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.731 10.632 -14.820 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.223 11.750 -14.020 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.610 11.565 -12.293 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.815 10.189 -13.403 1.00 0.00 H new ATOM 1137 N SER A 77 -3.009 8.145 -10.920 1.00 0.00 N ATOM 1138 CA SER A 77 -4.365 7.738 -10.570 1.00 0.00 C ATOM 1139 C SER A 77 -4.443 7.308 -9.108 1.00 0.00 C ATOM 1140 O SER A 77 -3.421 7.049 -8.470 1.00 0.00 O ATOM 1141 CB SER A 77 -4.827 6.595 -11.475 1.00 0.00 C ATOM 1142 OG SER A 77 -5.010 7.041 -12.807 1.00 0.00 O ATOM 0 H SER A 77 -2.303 7.421 -10.785 1.00 0.00 H new ATOM 0 HA SER A 77 -5.023 8.595 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.091 5.791 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.761 6.181 -11.095 1.00 0.00 H new ATOM 0 HG SER A 77 -5.304 6.291 -13.366 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.661 7.235 -8.583 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.874 6.837 -7.196 1.00 0.00 C ATOM 1150 C LEU A 78 -6.030 5.323 -7.082 1.00 0.00 C ATOM 1151 O LEU A 78 -6.404 4.805 -6.030 1.00 0.00 O ATOM 1152 CB LEU A 78 -7.113 7.532 -6.630 1.00 0.00 C ATOM 1153 CG LEU A 78 -7.104 9.061 -6.675 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.521 9.606 -6.583 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -6.240 9.623 -5.555 1.00 0.00 C ATOM 0 H LEU A 78 -6.516 7.446 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.000 7.139 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.986 7.177 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.239 7.220 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.677 9.375 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.495 10.695 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.110 9.231 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.975 9.283 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.245 10.712 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.637 9.300 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.218 9.260 -5.667 1.00 0.00 H new ATOM 1167 N SER A 79 -5.738 4.620 -8.172 1.00 0.00 N ATOM 1168 CA SER A 79 -5.848 3.166 -8.195 1.00 0.00 C ATOM 1169 C SER A 79 -4.808 2.558 -9.131 1.00 0.00 C ATOM 1170 O SER A 79 -4.622 3.022 -10.256 1.00 0.00 O ATOM 1171 CB SER A 79 -7.252 2.746 -8.632 1.00 0.00 C ATOM 1172 OG SER A 79 -7.330 2.618 -10.041 1.00 0.00 O ATOM 0 H SER A 79 -5.424 5.033 -9.050 1.00 0.00 H new ATOM 0 HA SER A 79 -5.664 2.796 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.514 1.798 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.979 3.483 -8.290 1.00 0.00 H new ATOM 0 HG SER A 79 -8.241 2.823 -10.338 1.00 0.00 H new ATOM 1178 N TYR A 80 -4.133 1.516 -8.658 1.00 0.00 N ATOM 1179 CA TYR A 80 -3.110 0.845 -9.451 1.00 0.00 C ATOM 1180 C TYR A 80 -3.352 -0.661 -9.490 1.00 0.00 C ATOM 1181 O TYR A 80 -3.885 -1.242 -8.545 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.721 1.134 -8.879 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.602 0.445 -9.628 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.045 1.019 -10.764 1.00 0.00 C ATOM 1185 CD2 TYR A 80 -0.103 -0.779 -9.200 1.00 0.00 C ATOM 1186 CE1 TYR A 80 0.977 0.394 -11.453 1.00 0.00 C ATOM 1187 CE2 TYR A 80 0.919 -1.411 -9.881 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.456 -0.821 -11.007 1.00 0.00 C ATOM 1189 OH TYR A 80 2.473 -1.448 -11.689 1.00 0.00 O ATOM 0 H TYR A 80 -4.276 1.118 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.164 1.230 -10.469 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.548 2.210 -8.894 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.695 0.821 -7.835 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.417 1.970 -11.115 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.521 -1.244 -8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.398 0.854 -12.335 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.296 -2.362 -9.534 1.00 0.00 H new ATOM 0 HH TYR A 80 2.693 -2.293 -11.244 1.00 0.00 H new ATOM 1199 N THR A 81 -2.956 -1.289 -10.593 1.00 0.00 N ATOM 1200 CA THR A 81 -3.129 -2.726 -10.759 1.00 0.00 C ATOM 1201 C THR A 81 -1.783 -3.436 -10.845 1.00 0.00 C ATOM 1202 O THR A 81 -1.128 -3.421 -11.886 1.00 0.00 O ATOM 1203 CB THR A 81 -3.950 -3.051 -12.021 1.00 0.00 C ATOM 1204 OG1 THR A 81 -5.075 -2.170 -12.114 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.430 -4.495 -11.997 1.00 0.00 C ATOM 0 H THR A 81 -2.513 -0.824 -11.385 1.00 0.00 H new ATOM 0 HA THR A 81 -3.669 -3.082 -9.882 1.00 0.00 H new ATOM 0 HB THR A 81 -3.308 -2.913 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.591 -2.382 -12.920 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.007 -4.701 -12.898 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.570 -5.164 -11.956 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.057 -4.656 -11.120 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.376 -4.059 -9.744 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.109 -4.778 -9.696 1.00 0.00 C ATOM 1215 C ALA A 82 -0.210 -6.117 -10.419 1.00 0.00 C ATOM 1216 O ALA A 82 -0.728 -7.092 -9.873 1.00 0.00 O ATOM 1217 CB ALA A 82 0.326 -4.986 -8.253 1.00 0.00 C ATOM 0 H ALA A 82 -1.906 -4.080 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 82 0.642 -4.175 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.274 -5.524 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.448 -4.018 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.431 -5.565 -7.724 1.00 0.00 H new ATOM 1223 N THR A 83 0.288 -6.159 -11.651 1.00 0.00 N ATOM 1224 CA THR A 83 0.252 -7.378 -12.449 1.00 0.00 C ATOM 1225 C THR A 83 1.573 -8.133 -12.358 1.00 0.00 C ATOM 1226 O THR A 83 2.632 -7.532 -12.182 1.00 0.00 O ATOM 1227 CB THR A 83 -0.052 -7.072 -13.927 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.017 -6.310 -14.500 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.358 -6.306 -14.064 1.00 0.00 C ATOM 0 H THR A 83 0.721 -5.362 -12.118 1.00 0.00 H new ATOM 0 HA THR A 83 -0.546 -7.999 -12.043 1.00 0.00 H new ATOM 0 HB THR A 83 -0.148 -8.019 -14.458 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.817 -6.121 -15.441 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.551 -6.101 -15.117 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.174 -6.902 -13.654 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.287 -5.365 -13.519 1.00 0.00 H new ATOM 1237 N GLY A 84 1.504 -9.455 -12.482 1.00 0.00 N ATOM 1238 CA GLY A 84 2.702 -10.270 -12.412 1.00 0.00 C ATOM 1239 C GLY A 84 3.225 -10.413 -10.997 1.00 0.00 C ATOM 1240 O GLY A 84 4.397 -10.143 -10.729 1.00 0.00 O ATOM 0 H GLY A 84 0.640 -9.976 -12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.489 -11.259 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.476 -9.827 -13.039 1.00 0.00 H new ATOM 1244 N LEU A 85 2.355 -10.837 -10.087 1.00 0.00 N ATOM 1245 CA LEU A 85 2.735 -11.013 -8.689 1.00 0.00 C ATOM 1246 C LEU A 85 2.837 -12.494 -8.335 1.00 0.00 C ATOM 1247 O LEU A 85 2.703 -13.360 -9.199 1.00 0.00 O ATOM 1248 CB LEU A 85 1.719 -10.327 -7.774 1.00 0.00 C ATOM 1249 CG LEU A 85 1.089 -9.043 -8.314 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.188 -8.716 -7.555 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.075 -7.887 -8.226 1.00 0.00 C ATOM 0 H LEU A 85 1.382 -11.065 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 85 3.713 -10.555 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.920 -11.036 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.209 -10.097 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 85 0.835 -9.198 -9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.623 -7.799 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.899 -9.534 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.042 -8.580 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.609 -6.981 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.360 -7.731 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.962 -8.120 -8.814 1.00 0.00 H new ATOM 1263 N LYS A 86 3.074 -12.776 -7.059 1.00 0.00 N ATOM 1264 CA LYS A 86 3.190 -14.152 -6.588 1.00 0.00 C ATOM 1265 C LYS A 86 1.844 -14.675 -6.098 1.00 0.00 C ATOM 1266 O LYS A 86 1.153 -14.034 -5.306 1.00 0.00 O ATOM 1267 CB LYS A 86 4.225 -14.242 -5.464 1.00 0.00 C ATOM 1268 CG LYS A 86 4.695 -15.658 -5.182 1.00 0.00 C ATOM 1269 CD LYS A 86 5.929 -15.670 -4.296 1.00 0.00 C ATOM 1270 CE LYS A 86 5.959 -16.897 -3.398 1.00 0.00 C ATOM 1271 NZ LYS A 86 6.504 -18.089 -4.105 1.00 0.00 N ATOM 0 H LYS A 86 3.190 -12.070 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 86 3.516 -14.770 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.087 -13.627 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.798 -13.822 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.894 -16.219 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.916 -16.163 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.824 -15.651 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.947 -14.769 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.567 -16.688 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.951 -17.114 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.508 -18.904 -3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.910 -18.304 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.476 -17.892 -4.419 1.00 0.00 H new ATOM 1285 N PRO A 87 1.462 -15.868 -6.577 1.00 0.00 N ATOM 1286 CA PRO A 87 0.197 -16.505 -6.199 1.00 0.00 C ATOM 1287 C PRO A 87 0.196 -16.977 -4.749 1.00 0.00 C ATOM 1288 O PRO A 87 1.186 -17.521 -4.263 1.00 0.00 O ATOM 1289 CB PRO A 87 0.103 -17.700 -7.150 1.00 0.00 C ATOM 1290 CG PRO A 87 1.515 -18.007 -7.513 1.00 0.00 C ATOM 1291 CD PRO A 87 2.236 -16.688 -7.524 1.00 0.00 C ATOM 0 HA PRO A 87 -0.644 -15.816 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.376 -18.552 -6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.489 -17.458 -8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.963 -18.691 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.571 -18.490 -8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.274 -16.795 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.250 -16.246 -8.520 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.922 -16.764 -4.063 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.052 -17.168 -2.668 1.00 0.00 C ATOM 1301 C ASN A 88 0.005 -16.487 -1.804 1.00 0.00 C ATOM 1302 O ASN A 88 0.524 -17.077 -0.855 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.927 -18.688 -2.541 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.763 -19.244 -1.405 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -3.056 -19.418 -1.652 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 -1.252 -19.514 -0.318 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.751 -16.314 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.037 -16.860 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.235 -19.155 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.119 -18.952 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.254 -19.364 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.827 -19.888 0.437 1.00 0.00 H new ATOM 1313 N THR A 89 0.321 -15.239 -2.138 1.00 0.00 N ATOM 1314 CA THR A 89 1.316 -14.477 -1.394 1.00 0.00 C ATOM 1315 C THR A 89 0.876 -13.029 -1.212 1.00 0.00 C ATOM 1316 O THR A 89 0.591 -12.331 -2.185 1.00 0.00 O ATOM 1317 CB THR A 89 2.685 -14.501 -2.100 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.929 -15.800 -2.651 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.800 -14.138 -1.131 1.00 0.00 C ATOM 0 H THR A 89 -0.098 -14.735 -2.919 1.00 0.00 H new ATOM 0 HA THR A 89 1.411 -14.950 -0.417 1.00 0.00 H new ATOM 0 HB THR A 89 2.668 -13.764 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.086 -16.439 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.757 -14.162 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.627 -13.137 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.816 -14.855 -0.310 1.00 0.00 H new ATOM 1327 N MET A 90 0.823 -12.584 0.039 1.00 0.00 N ATOM 1328 CA MET A 90 0.420 -11.217 0.347 1.00 0.00 C ATOM 1329 C MET A 90 1.638 -10.313 0.506 1.00 0.00 C ATOM 1330 O MET A 90 2.712 -10.767 0.903 1.00 0.00 O ATOM 1331 CB MET A 90 -0.423 -11.187 1.624 1.00 0.00 C ATOM 1332 CG MET A 90 -0.896 -9.794 2.007 1.00 0.00 C ATOM 1333 SD MET A 90 0.243 -8.958 3.127 1.00 0.00 S ATOM 1334 CE MET A 90 0.161 -10.033 4.557 1.00 0.00 C ATOM 0 H MET A 90 1.054 -13.150 0.856 1.00 0.00 H new ATOM 0 HA MET A 90 -0.179 -10.845 -0.484 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.291 -11.833 1.492 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.161 -11.602 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.018 -9.195 1.105 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.877 -9.864 2.478 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.318 -9.447 5.462 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.819 -10.509 4.598 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.934 -10.798 4.482 1.00 0.00 H new ATOM 1344 N TYR A 91 1.465 -9.034 0.195 1.00 0.00 N ATOM 1345 CA TYR A 91 2.551 -8.067 0.302 1.00 0.00 C ATOM 1346 C TYR A 91 2.062 -6.765 0.928 1.00 0.00 C ATOM 1347 O TYR A 91 0.870 -6.595 1.181 1.00 0.00 O ATOM 1348 CB TYR A 91 3.151 -7.789 -1.078 1.00 0.00 C ATOM 1349 CG TYR A 91 2.967 -8.925 -2.059 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.524 -10.174 -1.817 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.235 -8.748 -3.227 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.359 -11.215 -2.711 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.064 -9.783 -4.125 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.627 -11.015 -3.863 1.00 0.00 C ATOM 1355 OH TYR A 91 2.460 -12.048 -4.756 1.00 0.00 O ATOM 0 H TYR A 91 0.582 -8.642 -0.134 1.00 0.00 H new ATOM 0 HA TYR A 91 3.320 -8.492 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.695 -6.888 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.216 -7.585 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.096 -10.335 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.793 -7.785 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.801 -12.180 -2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.492 -9.629 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 91 1.631 -12.528 -4.550 1.00 0.00 H new ATOM 1365 N GLU A 92 2.993 -5.848 1.174 1.00 0.00 N ATOM 1366 CA GLU A 92 2.657 -4.561 1.771 1.00 0.00 C ATOM 1367 C GLU A 92 2.649 -3.458 0.716 1.00 0.00 C ATOM 1368 O GLU A 92 3.632 -3.258 0.003 1.00 0.00 O ATOM 1369 CB GLU A 92 3.652 -4.213 2.880 1.00 0.00 C ATOM 1370 CG GLU A 92 3.911 -2.722 3.020 1.00 0.00 C ATOM 1371 CD GLU A 92 4.299 -2.327 4.432 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.010 -3.105 5.365 1.00 0.00 O ATOM 1373 OE2 GLU A 92 4.890 -1.241 4.603 1.00 0.00 O ATOM 0 H GLU A 92 3.984 -5.973 0.969 1.00 0.00 H new ATOM 0 HA GLU A 92 1.658 -4.638 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.276 -4.598 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.596 -4.720 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.705 -2.429 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.017 -2.173 2.726 1.00 0.00 H new ATOM 1380 N PHE A 93 1.531 -2.745 0.623 1.00 0.00 N ATOM 1381 CA PHE A 93 1.392 -1.664 -0.346 1.00 0.00 C ATOM 1382 C PHE A 93 1.249 -0.318 0.359 1.00 0.00 C ATOM 1383 O PHE A 93 0.670 -0.231 1.442 1.00 0.00 O ATOM 1384 CB PHE A 93 0.182 -1.911 -1.248 1.00 0.00 C ATOM 1385 CG PHE A 93 0.322 -3.126 -2.119 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.190 -4.397 -1.583 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.584 -2.998 -3.474 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.319 -5.518 -2.383 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.714 -4.115 -4.278 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.580 -5.376 -3.732 1.00 0.00 C ATOM 0 H PHE A 93 0.708 -2.896 1.207 1.00 0.00 H new ATOM 0 HA PHE A 93 2.293 -1.640 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.708 -2.019 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.025 -1.037 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.016 -4.514 -0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.688 -2.014 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.216 -6.503 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.920 -4.001 -5.332 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.679 -6.250 -4.359 1.00 0.00 H new ATOM 1400 N SER A 94 1.783 0.729 -0.263 1.00 0.00 N ATOM 1401 CA SER A 94 1.719 2.070 0.306 1.00 0.00 C ATOM 1402 C SER A 94 1.781 3.129 -0.791 1.00 0.00 C ATOM 1403 O SER A 94 2.462 2.953 -1.801 1.00 0.00 O ATOM 1404 CB SER A 94 2.863 2.281 1.300 1.00 0.00 C ATOM 1405 OG SER A 94 2.473 1.914 2.612 1.00 0.00 O ATOM 0 H SER A 94 2.264 0.674 -1.161 1.00 0.00 H new ATOM 0 HA SER A 94 0.769 2.170 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.727 1.690 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.171 3.326 1.288 1.00 0.00 H new ATOM 0 HG SER A 94 2.053 2.681 3.055 1.00 0.00 H new ATOM 1411 N VAL A 95 1.064 4.229 -0.584 1.00 0.00 N ATOM 1412 CA VAL A 95 1.037 5.318 -1.553 1.00 0.00 C ATOM 1413 C VAL A 95 1.671 6.580 -0.979 1.00 0.00 C ATOM 1414 O VAL A 95 1.711 6.769 0.236 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.402 5.636 -2.000 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.394 6.555 -3.212 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.163 4.353 -2.299 1.00 0.00 C ATOM 0 H VAL A 95 0.494 4.389 0.246 1.00 0.00 H new ATOM 0 HA VAL A 95 1.613 4.987 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.911 6.152 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.419 6.769 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.111 7.487 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.132 6.069 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.178 4.597 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.657 3.807 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.200 3.734 -1.402 1.00 0.00 H new ATOM 1427 N MET A 96 2.164 7.442 -1.863 1.00 0.00 N ATOM 1428 CA MET A 96 2.795 8.688 -1.443 1.00 0.00 C ATOM 1429 C MET A 96 2.635 9.764 -2.513 1.00 0.00 C ATOM 1430 O MET A 96 1.961 9.556 -3.521 1.00 0.00 O ATOM 1431 CB MET A 96 4.279 8.460 -1.150 1.00 0.00 C ATOM 1432 CG MET A 96 5.048 7.878 -2.324 1.00 0.00 C ATOM 1433 SD MET A 96 6.826 7.821 -2.030 1.00 0.00 S ATOM 1434 CE MET A 96 7.212 9.569 -1.952 1.00 0.00 C ATOM 0 H MET A 96 2.139 7.301 -2.873 1.00 0.00 H new ATOM 0 HA MET A 96 2.301 9.028 -0.533 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.734 9.408 -0.862 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.373 7.789 -0.296 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.685 6.871 -2.528 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.850 8.474 -3.215 1.00 0.00 H new ATOM 0 HE1 MET A 96 8.126 9.714 -1.376 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.354 9.956 -2.961 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.391 10.102 -1.471 1.00 0.00 H new ATOM 1444 N VAL A 97 3.260 10.915 -2.285 1.00 0.00 N ATOM 1445 CA VAL A 97 3.188 12.024 -3.230 1.00 0.00 C ATOM 1446 C VAL A 97 4.515 12.772 -3.301 1.00 0.00 C ATOM 1447 O VAL A 97 5.201 12.939 -2.292 1.00 0.00 O ATOM 1448 CB VAL A 97 2.072 13.015 -2.848 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.221 13.454 -1.400 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.084 14.215 -3.782 1.00 0.00 C ATOM 0 H VAL A 97 3.822 11.104 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 97 2.964 11.595 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 97 1.111 12.512 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.424 14.154 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.159 12.583 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.187 13.940 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.289 14.905 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.047 14.721 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.925 13.880 -4.807 1.00 0.00 H new ATOM 1460 N THR A 98 4.870 13.222 -4.500 1.00 0.00 N ATOM 1461 CA THR A 98 6.115 13.952 -4.704 1.00 0.00 C ATOM 1462 C THR A 98 5.857 15.308 -5.353 1.00 0.00 C ATOM 1463 O THR A 98 5.751 15.413 -6.575 1.00 0.00 O ATOM 1464 CB THR A 98 7.097 13.154 -5.583 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.490 11.953 -4.911 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.329 13.985 -5.909 1.00 0.00 C ATOM 0 H THR A 98 4.313 13.094 -5.345 1.00 0.00 H new ATOM 0 HA THR A 98 6.559 14.101 -3.720 1.00 0.00 H new ATOM 0 HB THR A 98 6.592 12.900 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.113 11.450 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.008 13.401 -6.530 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.029 14.885 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.834 14.265 -4.985 1.00 0.00 H new ATOM 1474 N LYS A 99 5.758 16.344 -4.527 1.00 0.00 N ATOM 1475 CA LYS A 99 5.514 17.695 -5.019 1.00 0.00 C ATOM 1476 C LYS A 99 6.601 18.652 -4.541 1.00 0.00 C ATOM 1477 O LYS A 99 7.316 18.366 -3.582 1.00 0.00 O ATOM 1478 CB LYS A 99 4.143 18.190 -4.554 1.00 0.00 C ATOM 1479 CG LYS A 99 3.694 19.469 -5.238 1.00 0.00 C ATOM 1480 CD LYS A 99 2.222 19.749 -4.987 1.00 0.00 C ATOM 1481 CE LYS A 99 2.007 20.449 -3.654 1.00 0.00 C ATOM 1482 NZ LYS A 99 0.611 20.287 -3.161 1.00 0.00 N ATOM 0 H LYS A 99 5.843 16.274 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 99 5.532 17.667 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.403 17.411 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.172 18.355 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.291 20.306 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.873 19.391 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.826 20.368 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.665 18.812 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.702 20.047 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.234 21.510 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.505 20.778 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.051 20.693 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.402 19.276 -3.035 1.00 0.00 H new ATOM 1496 N ASN A 100 6.720 19.790 -5.217 1.00 0.00 N ATOM 1497 CA ASN A 100 7.719 20.791 -4.860 1.00 0.00 C ATOM 1498 C ASN A 100 9.130 20.250 -5.073 1.00 0.00 C ATOM 1499 O ASN A 100 10.061 20.614 -4.355 1.00 0.00 O ATOM 1500 CB ASN A 100 7.542 21.223 -3.403 1.00 0.00 C ATOM 1501 CG ASN A 100 8.120 22.598 -3.134 1.00 0.00 C ATOM 1502 OD1 ASN A 100 8.715 23.218 -4.016 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.948 23.082 -1.909 1.00 0.00 N ATOM 0 H ASN A 100 6.137 20.042 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 100 7.578 21.656 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.481 21.223 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.024 20.495 -2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.316 24.002 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.448 22.533 -1.209 1.00 0.00 H new ATOM 1510 N ARG A 101 9.280 19.379 -6.066 1.00 0.00 N ATOM 1511 CA ARG A 101 10.577 18.788 -6.374 1.00 0.00 C ATOM 1512 C ARG A 101 11.085 17.953 -5.202 1.00 0.00 C ATOM 1513 O ARG A 101 12.291 17.761 -5.041 1.00 0.00 O ATOM 1514 CB ARG A 101 11.592 19.880 -6.714 1.00 0.00 C ATOM 1515 CG ARG A 101 11.271 20.633 -7.995 1.00 0.00 C ATOM 1516 CD ARG A 101 12.526 21.206 -8.634 1.00 0.00 C ATOM 1517 NE ARG A 101 12.301 21.605 -10.021 1.00 0.00 N ATOM 1518 CZ ARG A 101 13.250 22.103 -10.805 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.482 22.261 -10.343 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.967 22.443 -12.056 1.00 0.00 N ATOM 0 H ARG A 101 8.520 19.067 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 101 10.455 18.135 -7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.640 20.589 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.580 19.430 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.777 19.963 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.571 21.440 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.864 22.068 -8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.324 20.464 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 101 11.364 21.495 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.704 22.000 -9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.208 22.644 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.020 22.322 -12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.696 22.826 -12.658 1.00 0.00 H new ATOM 1534 N ARG A 102 10.158 17.459 -4.388 1.00 0.00 N ATOM 1535 CA ARG A 102 10.513 16.647 -3.230 1.00 0.00 C ATOM 1536 C ARG A 102 9.485 15.541 -3.007 1.00 0.00 C ATOM 1537 O ARG A 102 8.345 15.638 -3.462 1.00 0.00 O ATOM 1538 CB ARG A 102 10.616 17.521 -1.979 1.00 0.00 C ATOM 1539 CG ARG A 102 9.271 17.987 -1.449 1.00 0.00 C ATOM 1540 CD ARG A 102 9.391 18.546 -0.040 1.00 0.00 C ATOM 1541 NE ARG A 102 9.892 17.551 0.904 1.00 0.00 N ATOM 1542 CZ ARG A 102 11.182 17.357 1.152 1.00 0.00 C ATOM 1543 NH1 ARG A 102 12.097 18.088 0.530 1.00 0.00 N ATOM 1544 NH2 ARG A 102 11.560 16.432 2.024 1.00 0.00 N ATOM 0 H ARG A 102 9.156 17.607 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 102 11.482 16.187 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.131 16.962 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.230 18.393 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.863 18.751 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.569 17.153 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.059 19.407 -0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.416 18.902 0.293 1.00 0.00 H new ATOM 0 HE ARG A 102 9.214 16.973 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.810 18.801 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.087 17.937 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.859 15.868 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.551 16.284 2.213 1.00 0.00 H new ATOM 1558 N SER A 103 9.897 14.490 -2.306 1.00 0.00 N ATOM 1559 CA SER A 103 9.014 13.363 -2.026 1.00 0.00 C ATOM 1560 C SER A 103 8.576 13.367 -0.565 1.00 0.00 C ATOM 1561 O SER A 103 9.344 13.732 0.325 1.00 0.00 O ATOM 1562 CB SER A 103 9.715 12.044 -2.357 1.00 0.00 C ATOM 1563 OG SER A 103 10.423 11.547 -1.234 1.00 0.00 O ATOM 0 H SER A 103 10.837 14.395 -1.921 1.00 0.00 H new ATOM 0 HA SER A 103 8.128 13.462 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.979 11.309 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.404 12.193 -3.188 1.00 0.00 H new ATOM 0 HG SER A 103 10.861 10.703 -1.471 1.00 0.00 H new ATOM 1569 N SER A 104 7.334 12.957 -0.326 1.00 0.00 N ATOM 1570 CA SER A 104 6.790 12.916 1.027 1.00 0.00 C ATOM 1571 C SER A 104 6.795 11.491 1.572 1.00 0.00 C ATOM 1572 O SER A 104 7.239 10.559 0.901 1.00 0.00 O ATOM 1573 CB SER A 104 5.366 13.475 1.043 1.00 0.00 C ATOM 1574 OG SER A 104 4.446 12.545 0.498 1.00 0.00 O ATOM 0 H SER A 104 6.686 12.649 -1.051 1.00 0.00 H new ATOM 0 HA SER A 104 7.423 13.533 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.079 13.718 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.330 14.403 0.473 1.00 0.00 H new ATOM 0 HG SER A 104 4.562 12.501 -0.474 1.00 0.00 H new ATOM 1580 N THR A 105 6.298 11.330 2.794 1.00 0.00 N ATOM 1581 CA THR A 105 6.246 10.020 3.431 1.00 0.00 C ATOM 1582 C THR A 105 5.103 9.181 2.871 1.00 0.00 C ATOM 1583 O THR A 105 4.254 9.685 2.137 1.00 0.00 O ATOM 1584 CB THR A 105 6.078 10.144 4.957 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.194 8.855 5.569 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.729 10.756 5.305 1.00 0.00 C ATOM 0 H THR A 105 5.926 12.091 3.363 1.00 0.00 H new ATOM 0 HA THR A 105 7.194 9.526 3.216 1.00 0.00 H new ATOM 0 HB THR A 105 6.864 10.797 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.088 8.943 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.633 10.834 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.655 11.749 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.931 10.124 4.915 1.00 0.00 H new ATOM 1594 N TRP A 106 5.088 7.901 3.224 1.00 0.00 N ATOM 1595 CA TRP A 106 4.047 6.992 2.756 1.00 0.00 C ATOM 1596 C TRP A 106 2.851 7.002 3.702 1.00 0.00 C ATOM 1597 O TRP A 106 2.962 7.423 4.853 1.00 0.00 O ATOM 1598 CB TRP A 106 4.601 5.572 2.629 1.00 0.00 C ATOM 1599 CG TRP A 106 5.734 5.462 1.654 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.063 5.639 1.918 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.638 5.152 0.259 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.798 5.457 0.771 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.948 5.157 -0.260 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.574 4.868 -0.601 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.218 4.890 -1.599 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.844 4.605 -1.930 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.157 4.616 -2.419 1.00 0.00 C ATOM 0 H TRP A 106 5.784 7.469 3.832 1.00 0.00 H new ATOM 0 HA TRP A 106 3.714 7.333 1.776 1.00 0.00 H new ATOM 0 HB2 TRP A 106 4.939 5.233 3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.798 4.903 2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.475 5.886 2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.813 5.533 0.699 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.559 4.854 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.229 4.899 -1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.029 4.387 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.335 4.404 -3.463 1.00 0.00 H new ATOM 1618 N SER A 107 1.709 6.535 3.208 1.00 0.00 N ATOM 1619 CA SER A 107 0.491 6.493 4.009 1.00 0.00 C ATOM 1620 C SER A 107 0.267 5.099 4.586 1.00 0.00 C ATOM 1621 O SER A 107 1.058 4.185 4.353 1.00 0.00 O ATOM 1622 CB SER A 107 -0.715 6.908 3.164 1.00 0.00 C ATOM 1623 OG SER A 107 -0.956 5.973 2.126 1.00 0.00 O ATOM 0 H SER A 107 1.602 6.181 2.258 1.00 0.00 H new ATOM 0 HA SER A 107 0.605 7.194 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.598 6.987 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.541 7.895 2.736 1.00 0.00 H new ATOM 0 HG SER A 107 -0.247 6.041 1.453 1.00 0.00 H new ATOM 1629 N MET A 108 -0.817 4.943 5.339 1.00 0.00 N ATOM 1630 CA MET A 108 -1.147 3.660 5.948 1.00 0.00 C ATOM 1631 C MET A 108 -1.030 2.530 4.930 1.00 0.00 C ATOM 1632 O MET A 108 -1.582 2.609 3.832 1.00 0.00 O ATOM 1633 CB MET A 108 -2.561 3.695 6.529 1.00 0.00 C ATOM 1634 CG MET A 108 -3.608 4.203 5.550 1.00 0.00 C ATOM 1635 SD MET A 108 -5.292 3.845 6.087 1.00 0.00 S ATOM 1636 CE MET A 108 -5.432 2.118 5.632 1.00 0.00 C ATOM 0 H MET A 108 -1.482 5.689 5.542 1.00 0.00 H new ATOM 0 HA MET A 108 -0.437 3.475 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.836 2.692 6.854 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.565 4.330 7.415 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.492 5.280 5.426 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.438 3.749 4.574 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.404 1.940 5.173 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.644 1.863 4.923 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.333 1.498 6.523 1.00 0.00 H new ATOM 1646 N THR A 109 -0.308 1.477 5.302 1.00 0.00 N ATOM 1647 CA THR A 109 -0.118 0.331 4.421 1.00 0.00 C ATOM 1648 C THR A 109 -1.406 -0.473 4.280 1.00 0.00 C ATOM 1649 O THR A 109 -2.286 -0.409 5.138 1.00 0.00 O ATOM 1650 CB THR A 109 0.999 -0.595 4.937 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.261 0.078 4.877 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.062 -1.876 4.118 1.00 0.00 C ATOM 0 H THR A 109 0.155 1.394 6.207 1.00 0.00 H new ATOM 0 HA THR A 109 0.169 0.725 3.446 1.00 0.00 H new ATOM 0 HB THR A 109 0.776 -0.855 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.276 0.677 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.858 -2.514 4.501 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.110 -2.401 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.263 -1.631 3.075 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.508 -1.232 3.194 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.687 -2.051 2.943 1.00 0.00 C ATOM 1662 C ALA A 110 -2.297 -3.485 2.603 1.00 0.00 C ATOM 1663 O ALA A 110 -1.643 -3.738 1.590 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.519 -1.449 1.820 1.00 0.00 C ATOM 0 H ALA A 110 -0.788 -1.297 2.474 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.285 -2.071 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.396 -2.071 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.837 -0.445 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.921 -1.399 0.910 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.701 -4.422 3.455 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.392 -5.832 3.245 1.00 0.00 C ATOM 1672 C HIS A 111 -3.460 -6.498 2.383 1.00 0.00 C ATOM 1673 O HIS A 111 -4.656 -6.322 2.612 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.278 -6.556 4.587 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.934 -6.414 5.231 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.236 -6.283 4.513 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.577 -6.380 6.537 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.254 -6.177 5.348 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.788 -6.233 6.582 1.00 0.00 N ATOM 0 H HIS A 111 -3.243 -4.230 4.297 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.437 -5.897 2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.039 -6.170 5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.491 -7.615 4.439 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.242 -6.455 7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.291 -6.064 5.069 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.350 -6.176 7.431 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.019 -7.265 1.391 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.936 -7.958 0.495 1.00 0.00 C ATOM 1690 C ALA A 112 -3.294 -9.215 -0.083 1.00 0.00 C ATOM 1691 O ALA A 112 -2.354 -9.137 -0.874 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.385 -7.030 -0.624 1.00 0.00 C ATOM 0 H ALA A 112 -2.032 -7.422 1.188 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.809 -8.260 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.069 -7.562 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.892 -6.164 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.516 -6.698 -1.192 1.00 0.00 H new ATOM 1698 N THR A 113 -3.808 -10.374 0.318 1.00 0.00 N ATOM 1699 CA THR A 113 -3.283 -11.648 -0.159 1.00 0.00 C ATOM 1700 C THR A 113 -3.881 -12.017 -1.511 1.00 0.00 C ATOM 1701 O THR A 113 -5.007 -11.634 -1.830 1.00 0.00 O ATOM 1702 CB THR A 113 -3.568 -12.783 0.843 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.365 -12.317 2.182 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.669 -13.980 0.574 1.00 0.00 C ATOM 0 H THR A 113 -4.587 -10.457 0.971 1.00 0.00 H new ATOM 0 HA THR A 113 -2.205 -11.527 -0.263 1.00 0.00 H new ATOM 0 HB THR A 113 -4.606 -13.094 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.550 -13.044 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.888 -14.769 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.848 -14.350 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.625 -13.680 0.671 1.00 0.00 H new ATOM 1712 N THR A 114 -3.121 -12.765 -2.305 1.00 0.00 N ATOM 1713 CA THR A 114 -3.575 -13.186 -3.624 1.00 0.00 C ATOM 1714 C THR A 114 -4.246 -14.553 -3.564 1.00 0.00 C ATOM 1715 O THR A 114 -4.055 -15.307 -2.610 1.00 0.00 O ATOM 1716 CB THR A 114 -2.409 -13.242 -4.629 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.326 -14.001 -4.080 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.927 -11.842 -4.978 1.00 0.00 C ATOM 0 H THR A 114 -2.187 -13.092 -2.057 1.00 0.00 H new ATOM 0 HA THR A 114 -4.299 -12.444 -3.961 1.00 0.00 H new ATOM 0 HB THR A 114 -2.766 -13.724 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.532 -13.895 -4.645 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.103 -11.907 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.746 -11.276 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.586 -11.338 -4.073 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.031 -14.867 -4.589 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.731 -16.145 -4.652 1.00 0.00 C ATOM 1728 C TYR A 115 -4.784 -17.266 -5.067 1.00 0.00 C ATOM 1729 O TYR A 115 -3.859 -17.053 -5.850 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.901 -16.061 -5.633 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.800 -14.866 -5.404 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -7.548 -13.652 -6.031 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -8.900 -14.952 -4.559 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -8.365 -12.558 -5.824 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -9.724 -13.863 -4.347 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.452 -12.669 -4.981 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.270 -11.582 -4.772 1.00 0.00 O ATOM 0 H TYR A 115 -5.199 -14.254 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.115 -16.369 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.510 -16.021 -6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.495 -16.972 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.698 -13.562 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.114 -15.885 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.155 -11.621 -6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -10.576 -13.947 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.993 -10.847 -5.357 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.023 -18.461 -4.536 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.191 -19.616 -4.851 1.00 0.00 C ATOM 1749 C GLU A 116 -4.328 -20.001 -6.322 1.00 0.00 C ATOM 1750 O GLU A 116 -5.375 -20.484 -6.753 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.571 -20.804 -3.965 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.413 -21.743 -3.675 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.789 -22.855 -2.715 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.163 -22.544 -1.565 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.710 -24.036 -3.114 1.00 0.00 O ATOM 0 H GLU A 116 -5.785 -18.654 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.153 -19.346 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.969 -20.430 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.371 -21.365 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.061 -22.179 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.584 -21.172 -3.257 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.264 -19.782 -7.086 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.264 -20.107 -8.507 1.00 0.00 C ATOM 1764 C ALA A 117 -3.877 -21.481 -8.757 1.00 0.00 C ATOM 1765 O ALA A 117 -4.755 -21.635 -9.605 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.849 -20.049 -9.062 1.00 0.00 C ATOM 0 H ALA A 117 -2.390 -19.381 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.875 -19.367 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.864 -20.294 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.446 -19.045 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.221 -20.766 -8.533 1.00 0.00 H new ATOM 1772 N SER A 118 -3.406 -22.477 -8.013 1.00 0.00 N ATOM 1773 CA SER A 118 -3.905 -23.840 -8.156 1.00 0.00 C ATOM 1774 C SER A 118 -5.418 -23.887 -7.967 1.00 0.00 C ATOM 1775 O SER A 118 -6.139 -24.462 -8.782 1.00 0.00 O ATOM 1776 CB SER A 118 -3.224 -24.764 -7.145 1.00 0.00 C ATOM 1777 OG SER A 118 -1.814 -24.635 -7.206 1.00 0.00 O ATOM 0 H SER A 118 -2.680 -22.366 -7.305 1.00 0.00 H new ATOM 0 HA SER A 118 -3.672 -24.182 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.571 -24.527 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.507 -25.798 -7.344 1.00 0.00 H new ATOM 0 HG SER A 118 -1.402 -25.234 -6.549 1.00 0.00 H new ATOM 1783 N GLY A 119 -5.893 -23.278 -6.885 1.00 0.00 N ATOM 1784 CA GLY A 119 -7.317 -23.262 -6.607 1.00 0.00 C ATOM 1785 C GLY A 119 -7.747 -22.018 -5.855 1.00 0.00 C ATOM 1786 O GLY A 119 -7.583 -21.914 -4.639 1.00 0.00 O ATOM 0 H GLY A 119 -5.317 -22.795 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.868 -23.324 -7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.580 -24.144 -6.024 1.00 0.00 H new ATOM 1790 N PRO A 120 -8.310 -21.044 -6.586 1.00 0.00 N ATOM 1791 CA PRO A 120 -8.775 -19.783 -6.000 1.00 0.00 C ATOM 1792 C PRO A 120 -10.007 -19.971 -5.123 1.00 0.00 C ATOM 1793 O PRO A 120 -10.634 -21.030 -5.135 1.00 0.00 O ATOM 1794 CB PRO A 120 -9.115 -18.929 -7.224 1.00 0.00 C ATOM 1795 CG PRO A 120 -9.421 -19.912 -8.300 1.00 0.00 C ATOM 1796 CD PRO A 120 -8.536 -21.100 -8.040 1.00 0.00 C ATOM 0 HA PRO A 120 -8.026 -19.337 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -9.967 -18.279 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -8.280 -18.285 -7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -10.473 -20.197 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -9.224 -19.487 -9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -9.017 -22.032 -8.336 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -7.600 -21.033 -8.595 1.00 0.00 H new ATOM 1804 N SER A 121 -10.350 -18.936 -4.362 1.00 0.00 N ATOM 1805 CA SER A 121 -11.506 -18.989 -3.475 1.00 0.00 C ATOM 1806 C SER A 121 -12.806 -18.934 -4.273 1.00 0.00 C ATOM 1807 O SER A 121 -13.196 -17.879 -4.772 1.00 0.00 O ATOM 1808 CB SER A 121 -11.460 -17.834 -2.473 1.00 0.00 C ATOM 1809 OG SER A 121 -10.361 -17.969 -1.589 1.00 0.00 O ATOM 0 H SER A 121 -9.844 -18.051 -4.342 1.00 0.00 H new ATOM 0 HA SER A 121 -11.473 -19.933 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 121 -11.386 -16.887 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 121 -12.388 -17.806 -1.902 1.00 0.00 H new ATOM 0 HG SER A 121 -10.353 -17.218 -0.960 1.00 0.00 H new ATOM 1815 N SER A 122 -13.470 -20.079 -4.389 1.00 0.00 N ATOM 1816 CA SER A 122 -14.724 -20.164 -5.129 1.00 0.00 C ATOM 1817 C SER A 122 -15.899 -20.395 -4.183 1.00 0.00 C ATOM 1818 O SER A 122 -16.090 -21.496 -3.670 1.00 0.00 O ATOM 1819 CB SER A 122 -14.656 -21.292 -6.161 1.00 0.00 C ATOM 1820 OG SER A 122 -15.852 -21.362 -6.918 1.00 0.00 O ATOM 0 H SER A 122 -13.161 -20.961 -3.980 1.00 0.00 H new ATOM 0 HA SER A 122 -14.877 -19.217 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 122 -13.809 -21.129 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 122 -14.486 -22.242 -5.655 1.00 0.00 H new ATOM 0 HG SER A 122 -15.784 -22.089 -7.571 1.00 0.00 H new ATOM 1826 N GLY A 123 -16.683 -19.345 -3.958 1.00 0.00 N ATOM 1827 CA GLY A 123 -17.830 -19.453 -3.074 1.00 0.00 C ATOM 1828 C GLY A 123 -17.580 -18.818 -1.720 1.00 0.00 C ATOM 1829 O GLY A 123 -17.909 -19.398 -0.686 1.00 0.00 O ATOM 0 H GLY A 123 -16.545 -18.423 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.692 -18.977 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -18.082 -20.505 -2.938 1.00 0.00 H new TER 1833 GLY A 123