USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 83 TYR OH : rot 47:sc= 0.356 USER MOD Set 1.2: A 84 TYR OH : rot 91:sc= 0.0581 USER MOD Set 2.1: A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 56 LYS NZ :NH3+ -126:sc= -0.899 (180deg=-2.06!) USER MOD Set 3.2: B 2 ASN : amide:sc= -0.322 K(o=-1.2,f=-5.6!) USER MOD Set 4.1: A 44 SER OG : rot 100:sc= -0.712! USER MOD Set 4.2: A 61 GLN : amide:sc= -1.78! C(o=-2.5!,f=-3.3!) USER MOD Set 5.1: A 17 THR OG1 : rot -130:sc= -0.93 USER MOD Set 5.2: A 24 MET CE :methyl 180:sc= -0.0101 (180deg=-0.0101) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-0.77) USER MOD Single : A 8 SER OG : rot 180:sc= -1.27! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.21) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.474 K(o=-0.47,f=-1.5) USER MOD Single : A 23 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-0.75) USER MOD Single : A 26 MET CE :methyl -152:sc= -0.0114 (180deg=-0.751) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -1.75! (180deg=-1.97!) USER MOD Single : A 40 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.8!) USER MOD Single : A 43 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.087) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc=-0.00309 (180deg=-0.0773) USER MOD Single : A 57 HIS : no HD1:sc= -13.3! C(o=-13!,f=-12!) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 62 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.33) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 53:sc= -0.544 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 145:sc= -0.932 (180deg=-3.79!) USER MOD Single : A 93 MET CE :methyl 179:sc= 0 (180deg=-0.00111) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.616 K(o=-0.62,f=-0.092) USER MOD Single : A 103 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.828 21.485 9.814 1.00 0.00 N ATOM 2 CA GLY A 1 -19.891 20.195 9.071 1.00 0.00 C ATOM 3 C GLY A 1 -19.345 19.070 9.951 1.00 0.00 C ATOM 4 O GLY A 1 -19.061 19.263 11.117 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.680 22.045 9.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.775 21.295 10.835 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.985 22.016 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.920 19.979 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.311 20.265 8.151 1.00 0.00 H new ATOM 10 N SER A 2 -19.193 17.895 9.404 1.00 0.00 N ATOM 11 CA SER A 2 -18.665 16.760 10.211 1.00 0.00 C ATOM 12 C SER A 2 -17.636 15.984 9.385 1.00 0.00 C ATOM 13 O SER A 2 -17.780 15.841 8.188 1.00 0.00 O ATOM 14 CB SER A 2 -19.815 15.830 10.598 1.00 0.00 C ATOM 15 OG SER A 2 -20.617 16.462 11.586 1.00 0.00 O ATOM 0 H SER A 2 -19.412 17.672 8.433 1.00 0.00 H new ATOM 0 HA SER A 2 -18.191 17.145 11.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.417 15.593 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.423 14.887 10.980 1.00 0.00 H new ATOM 0 HG SER A 2 -21.356 15.869 11.835 1.00 0.00 H new ATOM 21 N PRO A 3 -16.624 15.507 10.060 1.00 0.00 N ATOM 22 CA PRO A 3 -15.506 14.724 9.474 1.00 0.00 C ATOM 23 C PRO A 3 -15.940 13.272 9.251 1.00 0.00 C ATOM 24 O PRO A 3 -16.432 12.616 10.148 1.00 0.00 O ATOM 25 CB PRO A 3 -14.378 14.791 10.500 1.00 0.00 C ATOM 26 CG PRO A 3 -15.044 15.090 11.846 1.00 0.00 C ATOM 27 CD PRO A 3 -16.428 15.671 11.529 1.00 0.00 C ATOM 0 HA PRO A 3 -15.194 15.120 8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.829 13.850 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.660 15.569 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.132 14.184 12.445 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.450 15.798 12.424 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.206 15.149 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.483 16.722 11.814 1.00 0.00 H new ATOM 35 N GLY A 4 -15.761 12.765 8.062 1.00 0.00 N ATOM 36 CA GLY A 4 -16.163 11.357 7.784 1.00 0.00 C ATOM 37 C GLY A 4 -15.278 10.402 8.587 1.00 0.00 C ATOM 38 O GLY A 4 -15.528 10.134 9.745 1.00 0.00 O ATOM 0 H GLY A 4 -15.354 13.265 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.210 11.208 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.071 11.145 6.719 1.00 0.00 H new ATOM 42 N ILE A 5 -14.246 9.882 7.980 1.00 0.00 N ATOM 43 CA ILE A 5 -13.347 8.943 8.708 1.00 0.00 C ATOM 44 C ILE A 5 -11.934 9.032 8.129 1.00 0.00 C ATOM 45 O ILE A 5 -11.702 8.709 6.981 1.00 0.00 O ATOM 46 CB ILE A 5 -13.870 7.514 8.553 1.00 0.00 C ATOM 47 CG1 ILE A 5 -12.909 6.542 9.240 1.00 0.00 C ATOM 48 CG2 ILE A 5 -13.969 7.167 7.067 1.00 0.00 C ATOM 49 CD1 ILE A 5 -13.704 5.400 9.877 1.00 0.00 C ATOM 0 H ILE A 5 -13.987 10.067 7.011 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.323 9.211 9.764 1.00 0.00 H new ATOM 0 HB ILE A 5 -14.856 7.436 9.012 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.198 6.144 8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.330 7.064 10.001 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.342 6.149 6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -14.653 7.860 6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.983 7.245 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.018 4.708 10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.397 5.806 10.614 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -14.264 4.871 9.105 1.00 0.00 H new ATOM 61 N HIS A 6 -10.987 9.466 8.914 1.00 0.00 N ATOM 62 CA HIS A 6 -9.590 9.573 8.407 1.00 0.00 C ATOM 63 C HIS A 6 -9.572 10.404 7.123 1.00 0.00 C ATOM 64 O HIS A 6 -8.933 10.050 6.153 1.00 0.00 O ATOM 65 CB HIS A 6 -9.048 8.171 8.115 1.00 0.00 C ATOM 66 CG HIS A 6 -7.546 8.187 8.187 1.00 0.00 C ATOM 67 ND1 HIS A 6 -6.821 9.367 8.261 1.00 0.00 N ATOM 68 CD2 HIS A 6 -6.618 7.176 8.197 1.00 0.00 C ATOM 69 CE1 HIS A 6 -5.517 9.038 8.312 1.00 0.00 C ATOM 70 NE2 HIS A 6 -5.338 7.715 8.275 1.00 0.00 N ATOM 0 H HIS A 6 -11.120 9.751 9.884 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.967 10.057 9.159 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.449 7.458 8.835 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.372 7.843 7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.847 6.122 8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.713 9.756 8.375 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.453 7.209 8.299 1.00 0.00 H new ATOM 78 N GLU A 7 -10.269 11.508 7.108 1.00 0.00 N ATOM 79 CA GLU A 7 -10.290 12.359 5.886 1.00 0.00 C ATOM 80 C GLU A 7 -9.036 13.235 5.852 1.00 0.00 C ATOM 81 O GLU A 7 -8.211 13.189 6.742 1.00 0.00 O ATOM 82 CB GLU A 7 -11.533 13.253 5.906 1.00 0.00 C ATOM 83 CG GLU A 7 -12.486 12.827 4.787 1.00 0.00 C ATOM 84 CD GLU A 7 -12.040 13.456 3.467 1.00 0.00 C ATOM 85 OE1 GLU A 7 -11.830 14.658 3.448 1.00 0.00 O ATOM 86 OE2 GLU A 7 -11.917 12.727 2.496 1.00 0.00 O ATOM 0 H GLU A 7 -10.824 11.856 7.889 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.314 11.722 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.033 13.178 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.246 14.296 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.497 11.741 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.504 13.138 5.024 1.00 0.00 H new ATOM 93 N SER A 8 -8.886 14.032 4.830 1.00 0.00 N ATOM 94 CA SER A 8 -7.686 14.910 4.737 1.00 0.00 C ATOM 95 C SER A 8 -6.440 14.050 4.510 1.00 0.00 C ATOM 96 O SER A 8 -5.477 14.129 5.244 1.00 0.00 O ATOM 97 CB SER A 8 -7.529 15.700 6.037 1.00 0.00 C ATOM 98 OG SER A 8 -8.755 15.668 6.757 1.00 0.00 O ATOM 0 H SER A 8 -9.544 14.113 4.054 1.00 0.00 H new ATOM 0 HA SER A 8 -7.807 15.602 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.728 15.273 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.249 16.731 5.818 1.00 0.00 H new ATOM 0 HG SER A 8 -8.657 16.172 7.592 1.00 0.00 H new ATOM 104 N LYS A 9 -6.454 13.229 3.495 1.00 0.00 N ATOM 105 CA LYS A 9 -5.271 12.367 3.219 1.00 0.00 C ATOM 106 C LYS A 9 -5.429 11.707 1.848 1.00 0.00 C ATOM 107 O LYS A 9 -6.483 11.750 1.245 1.00 0.00 O ATOM 108 CB LYS A 9 -5.165 11.286 4.297 1.00 0.00 C ATOM 109 CG LYS A 9 -3.699 11.099 4.692 1.00 0.00 C ATOM 110 CD LYS A 9 -3.367 12.014 5.873 1.00 0.00 C ATOM 111 CE LYS A 9 -2.381 13.092 5.421 1.00 0.00 C ATOM 112 NZ LYS A 9 -1.691 13.664 6.611 1.00 0.00 N ATOM 0 H LYS A 9 -7.233 13.119 2.846 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.368 12.977 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.754 11.569 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.575 10.347 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.514 10.059 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.051 11.330 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.277 12.476 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.937 11.432 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.650 12.666 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.908 13.878 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.020 14.397 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.394 14.084 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.176 12.910 7.109 1.00 0.00 H new ATOM 126 N GLU A 10 -4.387 11.098 1.352 1.00 0.00 N ATOM 127 CA GLU A 10 -4.472 10.436 0.020 1.00 0.00 C ATOM 128 C GLU A 10 -3.473 9.279 -0.034 1.00 0.00 C ATOM 129 O GLU A 10 -3.819 8.164 -0.372 1.00 0.00 O ATOM 130 CB GLU A 10 -4.136 11.453 -1.075 1.00 0.00 C ATOM 131 CG GLU A 10 -5.302 12.428 -1.241 1.00 0.00 C ATOM 132 CD GLU A 10 -4.985 13.419 -2.363 1.00 0.00 C ATOM 133 OE1 GLU A 10 -3.848 13.441 -2.804 1.00 0.00 O ATOM 134 OE2 GLU A 10 -5.884 14.141 -2.762 1.00 0.00 O ATOM 0 H GLU A 10 -3.479 11.030 1.812 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.481 10.054 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.228 11.997 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.941 10.939 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.216 11.882 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.478 12.963 -0.308 1.00 0.00 H new ATOM 141 N TRP A 11 -2.236 9.542 0.304 1.00 0.00 N ATOM 142 CA TRP A 11 -1.187 8.476 0.286 1.00 0.00 C ATOM 143 C TRP A 11 -1.312 7.623 -0.980 1.00 0.00 C ATOM 144 O TRP A 11 -0.897 6.483 -1.011 1.00 0.00 O ATOM 145 CB TRP A 11 -1.315 7.576 1.524 1.00 0.00 C ATOM 146 CG TRP A 11 -2.738 7.514 1.979 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.350 8.447 2.745 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.734 6.483 1.719 1.00 0.00 C ATOM 149 NE1 TRP A 11 -4.656 8.053 2.970 1.00 0.00 N ATOM 150 CE2 TRP A 11 -4.942 6.850 2.358 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.707 5.276 0.996 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.082 6.048 2.284 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -4.853 4.467 0.919 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.038 4.854 1.562 1.00 0.00 C ATOM 0 H TRP A 11 -1.904 10.461 0.595 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.211 8.961 0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.957 6.573 1.291 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.686 7.960 2.327 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.893 9.351 3.119 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.327 8.587 3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.799 4.970 0.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.992 6.349 2.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.821 3.542 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.916 4.228 1.499 1.00 0.00 H new ATOM 165 N TYR A 12 -1.874 8.165 -2.027 1.00 0.00 N ATOM 166 CA TYR A 12 -2.012 7.377 -3.285 1.00 0.00 C ATOM 167 C TYR A 12 -1.481 8.202 -4.463 1.00 0.00 C ATOM 168 O TYR A 12 -1.558 9.415 -4.466 1.00 0.00 O ATOM 169 CB TYR A 12 -3.487 7.019 -3.512 1.00 0.00 C ATOM 170 CG TYR A 12 -4.229 8.201 -4.093 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.814 9.147 -3.245 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.330 8.348 -5.483 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.502 10.240 -3.785 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.018 9.441 -6.022 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.603 10.388 -5.174 1.00 0.00 C ATOM 176 OH TYR A 12 -6.282 11.465 -5.706 1.00 0.00 O ATOM 0 H TYR A 12 -2.242 9.116 -2.066 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.435 6.456 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.562 6.166 -4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.945 6.721 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.735 9.034 -2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.877 7.618 -6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.955 10.970 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.097 9.554 -7.093 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.256 11.417 -6.684 1.00 0.00 H new ATOM 186 N HIS A 13 -0.941 7.555 -5.459 1.00 0.00 N ATOM 187 CA HIS A 13 -0.403 8.305 -6.629 1.00 0.00 C ATOM 188 C HIS A 13 -1.154 7.892 -7.899 1.00 0.00 C ATOM 189 O HIS A 13 -1.891 6.925 -7.911 1.00 0.00 O ATOM 190 CB HIS A 13 1.086 7.993 -6.792 1.00 0.00 C ATOM 191 CG HIS A 13 1.893 8.953 -5.961 1.00 0.00 C ATOM 192 ND1 HIS A 13 1.888 10.320 -6.197 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.736 8.760 -4.894 1.00 0.00 C ATOM 194 CE1 HIS A 13 2.705 10.889 -5.291 1.00 0.00 C ATOM 195 NE2 HIS A 13 3.247 9.983 -4.472 1.00 0.00 N ATOM 0 H HIS A 13 -0.849 6.541 -5.513 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.537 9.374 -6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.290 6.968 -6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.373 8.073 -7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.967 7.803 -4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.899 11.950 -5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.896 10.152 -3.703 1.00 0.00 H new ATOM 203 N ALA A 14 -0.973 8.621 -8.966 1.00 0.00 N ATOM 204 CA ALA A 14 -1.676 8.276 -10.235 1.00 0.00 C ATOM 205 C ALA A 14 -0.873 8.812 -11.422 1.00 0.00 C ATOM 206 O ALA A 14 -0.124 8.092 -12.051 1.00 0.00 O ATOM 207 CB ALA A 14 -3.069 8.910 -10.233 1.00 0.00 C ATOM 0 H ALA A 14 -0.368 9.441 -9.014 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.770 7.193 -10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.584 8.659 -11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.640 8.530 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.976 9.993 -10.152 1.00 0.00 H new ATOM 213 N SER A 15 -1.018 10.072 -11.732 1.00 0.00 N ATOM 214 CA SER A 15 -0.256 10.649 -12.876 1.00 0.00 C ATOM 215 C SER A 15 1.154 11.017 -12.410 1.00 0.00 C ATOM 216 O SER A 15 1.399 12.114 -11.946 1.00 0.00 O ATOM 217 CB SER A 15 -0.971 11.902 -13.385 1.00 0.00 C ATOM 218 OG SER A 15 -2.300 11.565 -13.760 1.00 0.00 O ATOM 0 H SER A 15 -1.630 10.726 -11.243 1.00 0.00 H new ATOM 0 HA SER A 15 -0.194 9.917 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.983 12.668 -12.610 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.435 12.319 -14.237 1.00 0.00 H new ATOM 0 HG SER A 15 -2.761 12.366 -14.085 1.00 0.00 H new ATOM 224 N LEU A 16 2.081 10.106 -12.525 1.00 0.00 N ATOM 225 CA LEU A 16 3.476 10.397 -12.082 1.00 0.00 C ATOM 226 C LEU A 16 4.380 9.203 -12.410 1.00 0.00 C ATOM 227 O LEU A 16 3.971 8.278 -13.083 1.00 0.00 O ATOM 228 CB LEU A 16 3.491 10.684 -10.571 1.00 0.00 C ATOM 229 CG LEU A 16 3.227 9.406 -9.754 1.00 0.00 C ATOM 230 CD1 LEU A 16 2.190 8.523 -10.450 1.00 0.00 C ATOM 231 CD2 LEU A 16 4.530 8.627 -9.592 1.00 0.00 C ATOM 0 H LEU A 16 1.934 9.172 -12.907 1.00 0.00 H new ATOM 0 HA LEU A 16 3.850 11.275 -12.608 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.456 11.105 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.735 11.432 -10.334 1.00 0.00 H new ATOM 0 HG LEU A 16 2.841 9.692 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.019 7.626 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.255 9.073 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.557 8.240 -11.437 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.343 7.722 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.917 8.356 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.261 9.246 -9.072 1.00 0.00 H new ATOM 243 N THR A 17 5.609 9.230 -11.952 1.00 0.00 N ATOM 244 CA THR A 17 6.564 8.115 -12.237 1.00 0.00 C ATOM 245 C THR A 17 5.873 6.752 -12.089 1.00 0.00 C ATOM 246 O THR A 17 5.787 6.199 -11.011 1.00 0.00 O ATOM 247 CB THR A 17 7.732 8.206 -11.251 1.00 0.00 C ATOM 248 OG1 THR A 17 7.327 8.941 -10.106 1.00 0.00 O ATOM 249 CG2 THR A 17 8.910 8.917 -11.920 1.00 0.00 C ATOM 0 H THR A 17 5.994 9.986 -11.386 1.00 0.00 H new ATOM 0 HA THR A 17 6.923 8.206 -13.262 1.00 0.00 H new ATOM 0 HB THR A 17 8.034 7.202 -10.952 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.989 9.638 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.742 8.982 -11.218 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.221 8.355 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.607 9.921 -12.218 1.00 0.00 H new ATOM 257 N ARG A 18 5.385 6.206 -13.173 1.00 0.00 N ATOM 258 CA ARG A 18 4.703 4.881 -13.105 1.00 0.00 C ATOM 259 C ARG A 18 5.696 3.819 -12.621 1.00 0.00 C ATOM 260 O ARG A 18 5.939 3.686 -11.439 1.00 0.00 O ATOM 261 CB ARG A 18 4.178 4.512 -14.495 1.00 0.00 C ATOM 262 CG ARG A 18 3.166 5.563 -14.952 1.00 0.00 C ATOM 263 CD ARG A 18 1.749 5.078 -14.648 1.00 0.00 C ATOM 264 NE ARG A 18 0.807 6.229 -14.721 1.00 0.00 N ATOM 265 CZ ARG A 18 -0.479 6.020 -14.806 1.00 0.00 C ATOM 266 NH1 ARG A 18 -0.944 4.801 -14.864 1.00 0.00 N ATOM 267 NH2 ARG A 18 -1.301 7.032 -14.833 1.00 0.00 N ATOM 0 H ARG A 18 5.430 6.622 -14.103 1.00 0.00 H new ATOM 0 HA ARG A 18 3.868 4.931 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.004 4.454 -15.204 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.710 3.528 -14.470 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.354 6.509 -14.444 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.276 5.748 -16.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.455 4.308 -15.361 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.712 4.626 -13.657 1.00 0.00 H new ATOM 0 HE ARG A 18 1.167 7.183 -14.705 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.302 4.009 -14.843 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.949 4.641 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.939 7.984 -14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.306 6.871 -14.899 1.00 0.00 H new ATOM 281 N ALA A 19 6.279 3.065 -13.516 1.00 0.00 N ATOM 282 CA ALA A 19 7.258 2.029 -13.084 1.00 0.00 C ATOM 283 C ALA A 19 8.434 2.724 -12.399 1.00 0.00 C ATOM 284 O ALA A 19 9.172 2.124 -11.643 1.00 0.00 O ATOM 285 CB ALA A 19 7.757 1.253 -14.304 1.00 0.00 C ATOM 0 H ALA A 19 6.120 3.122 -14.522 1.00 0.00 H new ATOM 0 HA ALA A 19 6.783 1.333 -12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.473 0.496 -13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.914 0.770 -14.798 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.240 1.940 -14.999 1.00 0.00 H new ATOM 291 N GLN A 20 8.603 3.992 -12.655 1.00 0.00 N ATOM 292 CA GLN A 20 9.720 4.744 -12.020 1.00 0.00 C ATOM 293 C GLN A 20 9.641 4.572 -10.501 1.00 0.00 C ATOM 294 O GLN A 20 10.642 4.442 -9.826 1.00 0.00 O ATOM 295 CB GLN A 20 9.581 6.229 -12.366 1.00 0.00 C ATOM 296 CG GLN A 20 10.430 6.575 -13.593 1.00 0.00 C ATOM 297 CD GLN A 20 10.322 5.460 -14.637 1.00 0.00 C ATOM 298 OE1 GLN A 20 9.244 5.151 -15.103 1.00 0.00 O ATOM 299 NE2 GLN A 20 11.402 4.840 -15.026 1.00 0.00 N ATOM 0 H GLN A 20 8.012 4.541 -13.280 1.00 0.00 H new ATOM 0 HA GLN A 20 10.676 4.367 -12.384 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.535 6.467 -12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.893 6.837 -11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.096 7.520 -14.022 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.471 6.709 -13.299 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.308 5.099 -14.635 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.341 4.096 -15.721 1.00 0.00 H new ATOM 308 N ALA A 21 8.452 4.578 -9.964 1.00 0.00 N ATOM 309 CA ALA A 21 8.290 4.421 -8.491 1.00 0.00 C ATOM 310 C ALA A 21 9.101 3.218 -8.006 1.00 0.00 C ATOM 311 O ALA A 21 9.783 3.285 -7.006 1.00 0.00 O ATOM 312 CB ALA A 21 6.811 4.203 -8.168 1.00 0.00 C ATOM 0 H ALA A 21 7.582 4.685 -10.485 1.00 0.00 H new ATOM 0 HA ALA A 21 8.648 5.320 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.687 4.087 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.233 5.062 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.457 3.304 -8.673 1.00 0.00 H new ATOM 318 N GLU A 22 9.028 2.117 -8.704 1.00 0.00 N ATOM 319 CA GLU A 22 9.796 0.912 -8.275 1.00 0.00 C ATOM 320 C GLU A 22 11.256 1.299 -8.025 1.00 0.00 C ATOM 321 O GLU A 22 11.853 0.908 -7.040 1.00 0.00 O ATOM 322 CB GLU A 22 9.731 -0.150 -9.376 1.00 0.00 C ATOM 323 CG GLU A 22 8.920 -1.352 -8.883 1.00 0.00 C ATOM 324 CD GLU A 22 9.871 -2.478 -8.476 1.00 0.00 C ATOM 325 OE1 GLU A 22 10.941 -2.562 -9.057 1.00 0.00 O ATOM 326 OE2 GLU A 22 9.515 -3.238 -7.591 1.00 0.00 O ATOM 0 H GLU A 22 8.471 1.999 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 22 9.365 0.513 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.272 0.268 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.737 -0.466 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.299 -1.062 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.247 -1.696 -9.668 1.00 0.00 H new ATOM 333 N HIS A 23 11.836 2.061 -8.910 1.00 0.00 N ATOM 334 CA HIS A 23 13.258 2.473 -8.730 1.00 0.00 C ATOM 335 C HIS A 23 13.384 3.372 -7.498 1.00 0.00 C ATOM 336 O HIS A 23 14.362 3.321 -6.778 1.00 0.00 O ATOM 337 CB HIS A 23 13.722 3.242 -9.969 1.00 0.00 C ATOM 338 CG HIS A 23 13.679 2.337 -11.170 1.00 0.00 C ATOM 339 ND1 HIS A 23 13.426 0.978 -11.063 1.00 0.00 N ATOM 340 CD2 HIS A 23 13.856 2.582 -12.508 1.00 0.00 C ATOM 341 CE1 HIS A 23 13.458 0.462 -12.305 1.00 0.00 C ATOM 342 NE2 HIS A 23 13.716 1.396 -13.224 1.00 0.00 N ATOM 0 H HIS A 23 11.386 2.418 -9.753 1.00 0.00 H new ATOM 0 HA HIS A 23 13.877 1.586 -8.593 1.00 0.00 H new ATOM 0 HB2 HIS A 23 13.082 4.110 -10.132 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.735 3.616 -9.819 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.071 3.548 -12.940 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.295 -0.581 -12.531 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.794 1.268 -14.233 1.00 0.00 H new ATOM 350 N MET A 24 12.406 4.200 -7.253 1.00 0.00 N ATOM 351 CA MET A 24 12.472 5.108 -6.072 1.00 0.00 C ATOM 352 C MET A 24 12.456 4.283 -4.783 1.00 0.00 C ATOM 353 O MET A 24 13.001 4.683 -3.773 1.00 0.00 O ATOM 354 CB MET A 24 11.266 6.049 -6.087 1.00 0.00 C ATOM 355 CG MET A 24 11.280 6.875 -7.375 1.00 0.00 C ATOM 356 SD MET A 24 11.265 8.637 -6.961 1.00 0.00 S ATOM 357 CE MET A 24 10.531 9.227 -8.506 1.00 0.00 C ATOM 0 H MET A 24 11.563 4.287 -7.820 1.00 0.00 H new ATOM 0 HA MET A 24 13.393 5.690 -6.116 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.342 5.475 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.295 6.708 -5.219 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.166 6.636 -7.963 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.414 6.627 -7.988 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.428 10.311 -8.469 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.174 8.952 -9.342 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.549 8.773 -8.639 1.00 0.00 H new ATOM 367 N LEU A 25 11.837 3.137 -4.808 1.00 0.00 N ATOM 368 CA LEU A 25 11.787 2.291 -3.583 1.00 0.00 C ATOM 369 C LEU A 25 13.053 1.436 -3.505 1.00 0.00 C ATOM 370 O LEU A 25 13.438 0.972 -2.450 1.00 0.00 O ATOM 371 CB LEU A 25 10.553 1.386 -3.639 1.00 0.00 C ATOM 372 CG LEU A 25 9.292 2.233 -3.460 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.167 1.670 -4.332 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.861 2.203 -1.993 1.00 0.00 C ATOM 0 H LEU A 25 11.363 2.749 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 25 11.726 2.927 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.518 0.859 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.609 0.628 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 25 9.502 3.260 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.269 2.275 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.472 1.692 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.957 0.642 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.962 2.807 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.653 1.175 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.660 2.606 -1.371 1.00 0.00 H new ATOM 386 N MET A 26 13.706 1.226 -4.614 1.00 0.00 N ATOM 387 CA MET A 26 14.949 0.406 -4.606 1.00 0.00 C ATOM 388 C MET A 26 16.146 1.296 -4.262 1.00 0.00 C ATOM 389 O MET A 26 17.190 0.821 -3.863 1.00 0.00 O ATOM 390 CB MET A 26 15.159 -0.217 -5.990 1.00 0.00 C ATOM 391 CG MET A 26 15.365 -1.725 -5.845 1.00 0.00 C ATOM 392 SD MET A 26 16.791 -2.237 -6.836 1.00 0.00 S ATOM 393 CE MET A 26 16.162 -1.681 -8.439 1.00 0.00 C ATOM 0 H MET A 26 13.432 1.588 -5.527 1.00 0.00 H new ATOM 0 HA MET A 26 14.857 -0.384 -3.861 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.296 -0.017 -6.625 1.00 0.00 H new ATOM 0 HB3 MET A 26 16.024 0.234 -6.476 1.00 0.00 H new ATOM 0 HG2 MET A 26 15.525 -1.982 -4.798 1.00 0.00 H new ATOM 0 HG3 MET A 26 14.472 -2.258 -6.171 1.00 0.00 H new ATOM 0 HE1 MET A 26 16.592 -2.294 -9.231 1.00 0.00 H new ATOM 0 HE2 MET A 26 15.076 -1.774 -8.456 1.00 0.00 H new ATOM 0 HE3 MET A 26 16.439 -0.639 -8.597 1.00 0.00 H new ATOM 403 N ARG A 27 16.006 2.584 -4.427 1.00 0.00 N ATOM 404 CA ARG A 27 17.140 3.502 -4.122 1.00 0.00 C ATOM 405 C ARG A 27 16.917 4.190 -2.772 1.00 0.00 C ATOM 406 O ARG A 27 17.546 5.181 -2.462 1.00 0.00 O ATOM 407 CB ARG A 27 17.239 4.562 -5.220 1.00 0.00 C ATOM 408 CG ARG A 27 17.604 3.891 -6.544 1.00 0.00 C ATOM 409 CD ARG A 27 17.485 4.906 -7.684 1.00 0.00 C ATOM 410 NE ARG A 27 18.160 4.374 -8.904 1.00 0.00 N ATOM 411 CZ ARG A 27 19.255 3.673 -8.795 1.00 0.00 C ATOM 412 NH1 ARG A 27 20.310 4.194 -8.228 1.00 0.00 N ATOM 413 NH2 ARG A 27 19.297 2.452 -9.253 1.00 0.00 N ATOM 0 H ARG A 27 15.156 3.039 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 27 18.063 2.924 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 27 16.291 5.090 -5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 27 17.992 5.305 -4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.620 3.499 -6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.944 3.043 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.435 5.107 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.938 5.853 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 27 17.764 4.559 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 27 20.278 5.149 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.166 3.646 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.474 2.045 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.153 1.904 -9.168 1.00 0.00 H new ATOM 427 N VAL A 28 16.031 3.675 -1.965 1.00 0.00 N ATOM 428 CA VAL A 28 15.780 4.308 -0.639 1.00 0.00 C ATOM 429 C VAL A 28 16.424 3.449 0.456 1.00 0.00 C ATOM 430 O VAL A 28 16.325 2.239 0.432 1.00 0.00 O ATOM 431 CB VAL A 28 14.268 4.409 -0.407 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.599 3.122 -0.884 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.976 4.612 1.085 1.00 0.00 C ATOM 0 H VAL A 28 15.471 2.846 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 28 16.213 5.308 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 28 13.876 5.260 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.523 3.189 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.797 2.981 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.999 2.276 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.899 4.682 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.369 3.767 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.452 5.531 1.427 1.00 0.00 H new ATOM 443 N PRO A 29 17.066 4.109 1.387 1.00 0.00 N ATOM 444 CA PRO A 29 17.762 3.481 2.539 1.00 0.00 C ATOM 445 C PRO A 29 16.748 3.087 3.617 1.00 0.00 C ATOM 446 O PRO A 29 15.555 3.243 3.447 1.00 0.00 O ATOM 447 CB PRO A 29 18.720 4.544 3.070 1.00 0.00 C ATOM 448 CG PRO A 29 18.157 5.892 2.612 1.00 0.00 C ATOM 449 CD PRO A 29 17.206 5.593 1.444 1.00 0.00 C ATOM 0 HA PRO A 29 18.292 2.574 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.788 4.499 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.727 4.390 2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.628 6.388 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.959 6.561 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.238 6.069 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 29 17.606 5.982 0.508 1.00 0.00 H new ATOM 457 N ARG A 30 17.212 2.575 4.724 1.00 0.00 N ATOM 458 CA ARG A 30 16.273 2.169 5.807 1.00 0.00 C ATOM 459 C ARG A 30 15.446 0.970 5.341 1.00 0.00 C ATOM 460 O ARG A 30 15.789 0.302 4.385 1.00 0.00 O ATOM 461 CB ARG A 30 15.340 3.336 6.139 1.00 0.00 C ATOM 462 CG ARG A 30 15.479 3.698 7.619 1.00 0.00 C ATOM 463 CD ARG A 30 16.827 4.384 7.851 1.00 0.00 C ATOM 464 NE ARG A 30 16.696 5.378 8.952 1.00 0.00 N ATOM 465 CZ ARG A 30 17.764 5.859 9.526 1.00 0.00 C ATOM 466 NH1 ARG A 30 18.863 6.004 8.839 1.00 0.00 N ATOM 467 NH2 ARG A 30 17.733 6.193 10.787 1.00 0.00 N ATOM 0 H ARG A 30 18.200 2.420 4.925 1.00 0.00 H new ATOM 0 HA ARG A 30 16.841 1.895 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.584 4.198 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.308 3.065 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.666 4.358 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.405 2.800 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.585 3.643 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.157 4.879 6.938 1.00 0.00 H new ATOM 0 HE ARG A 30 15.772 5.683 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.887 5.741 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.699 6.380 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.874 6.078 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.568 6.569 11.236 1.00 0.00 H new ATOM 481 N ASP A 31 14.358 0.690 6.006 1.00 0.00 N ATOM 482 CA ASP A 31 13.514 -0.467 5.597 1.00 0.00 C ATOM 483 C ASP A 31 12.128 -0.339 6.233 1.00 0.00 C ATOM 484 O ASP A 31 11.937 -0.649 7.392 1.00 0.00 O ATOM 485 CB ASP A 31 14.170 -1.767 6.065 1.00 0.00 C ATOM 486 CG ASP A 31 15.202 -2.221 5.030 1.00 0.00 C ATOM 487 OD1 ASP A 31 14.994 -1.954 3.858 1.00 0.00 O ATOM 488 OD2 ASP A 31 16.183 -2.825 5.429 1.00 0.00 O ATOM 0 H ASP A 31 14.018 1.212 6.814 1.00 0.00 H new ATOM 0 HA ASP A 31 13.416 -0.478 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.651 -1.616 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.413 -2.539 6.202 1.00 0.00 H new ATOM 493 N GLY A 32 11.159 0.113 5.486 1.00 0.00 N ATOM 494 CA GLY A 32 9.789 0.256 6.055 1.00 0.00 C ATOM 495 C GLY A 32 9.095 1.470 5.433 1.00 0.00 C ATOM 496 O GLY A 32 9.269 2.589 5.872 1.00 0.00 O ATOM 0 H GLY A 32 11.256 0.389 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.208 -0.646 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.845 0.372 7.137 1.00 0.00 H new ATOM 500 N ALA A 33 8.307 1.257 4.415 1.00 0.00 N ATOM 501 CA ALA A 33 7.597 2.398 3.768 1.00 0.00 C ATOM 502 C ALA A 33 6.371 1.871 3.019 1.00 0.00 C ATOM 503 O ALA A 33 6.454 0.915 2.276 1.00 0.00 O ATOM 504 CB ALA A 33 8.541 3.091 2.781 1.00 0.00 C ATOM 0 H ALA A 33 8.124 0.342 4.003 1.00 0.00 H new ATOM 0 HA ALA A 33 7.281 3.112 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.024 3.925 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.416 3.462 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.856 2.379 2.018 1.00 0.00 H new ATOM 510 N PHE A 34 5.228 2.477 3.213 1.00 0.00 N ATOM 511 CA PHE A 34 4.009 1.984 2.509 1.00 0.00 C ATOM 512 C PHE A 34 3.328 3.129 1.752 1.00 0.00 C ATOM 513 O PHE A 34 3.160 4.217 2.266 1.00 0.00 O ATOM 514 CB PHE A 34 3.041 1.381 3.531 1.00 0.00 C ATOM 515 CG PHE A 34 2.265 2.479 4.225 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.115 3.006 3.627 1.00 0.00 C ATOM 517 CD2 PHE A 34 2.696 2.968 5.465 1.00 0.00 C ATOM 518 CE1 PHE A 34 0.394 4.020 4.267 1.00 0.00 C ATOM 519 CE2 PHE A 34 1.975 3.982 6.105 1.00 0.00 C ATOM 520 CZ PHE A 34 0.823 4.508 5.506 1.00 0.00 C ATOM 0 H PHE A 34 5.087 3.283 3.822 1.00 0.00 H new ATOM 0 HA PHE A 34 4.299 1.220 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.353 0.698 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.594 0.796 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.784 2.630 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.584 2.563 5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.494 4.426 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.307 4.359 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.266 5.290 6.001 1.00 0.00 H new ATOM 530 N LEU A 35 2.925 2.878 0.533 1.00 0.00 N ATOM 531 CA LEU A 35 2.243 3.935 -0.270 1.00 0.00 C ATOM 532 C LEU A 35 1.175 3.283 -1.158 1.00 0.00 C ATOM 533 O LEU A 35 1.004 2.080 -1.155 1.00 0.00 O ATOM 534 CB LEU A 35 3.271 4.650 -1.153 1.00 0.00 C ATOM 535 CG LEU A 35 4.308 5.351 -0.273 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.528 4.444 -0.100 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.739 6.660 -0.938 1.00 0.00 C ATOM 0 H LEU A 35 3.040 1.983 0.058 1.00 0.00 H new ATOM 0 HA LEU A 35 1.775 4.657 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.763 3.932 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.772 5.377 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 35 3.871 5.564 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.267 4.943 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.223 3.510 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.965 4.231 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.478 7.160 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.175 6.446 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.871 7.308 -1.063 1.00 0.00 H new ATOM 549 N VAL A 36 0.460 4.066 -1.920 1.00 0.00 N ATOM 550 CA VAL A 36 -0.591 3.491 -2.810 1.00 0.00 C ATOM 551 C VAL A 36 -0.383 4.012 -4.234 1.00 0.00 C ATOM 552 O VAL A 36 0.380 4.929 -4.456 1.00 0.00 O ATOM 553 CB VAL A 36 -1.975 3.910 -2.304 1.00 0.00 C ATOM 554 CG1 VAL A 36 -3.042 3.493 -3.318 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.252 3.227 -0.963 1.00 0.00 C ATOM 0 H VAL A 36 0.558 5.080 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.522 2.403 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.002 4.992 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.025 3.792 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.845 3.978 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.017 2.411 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.236 3.523 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.224 2.145 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.494 3.525 -0.239 1.00 0.00 H new ATOM 565 N ARG A 37 -1.049 3.441 -5.204 1.00 0.00 N ATOM 566 CA ARG A 37 -0.863 3.925 -6.600 1.00 0.00 C ATOM 567 C ARG A 37 -2.014 3.437 -7.479 1.00 0.00 C ATOM 568 O ARG A 37 -2.713 2.499 -7.144 1.00 0.00 O ATOM 569 CB ARG A 37 0.464 3.398 -7.152 1.00 0.00 C ATOM 570 CG ARG A 37 0.391 1.878 -7.317 1.00 0.00 C ATOM 571 CD ARG A 37 1.066 1.474 -8.629 1.00 0.00 C ATOM 572 NE ARG A 37 2.538 1.376 -8.420 1.00 0.00 N ATOM 573 CZ ARG A 37 3.283 0.762 -9.299 1.00 0.00 C ATOM 574 NH1 ARG A 37 3.149 -0.522 -9.483 1.00 0.00 N ATOM 575 NH2 ARG A 37 4.160 1.434 -9.994 1.00 0.00 N ATOM 0 H ARG A 37 -1.706 2.669 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.851 5.015 -6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.681 3.867 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.279 3.661 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.882 1.386 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.649 1.551 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.672 0.518 -8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.846 2.208 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 37 2.964 1.789 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.462 -1.046 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.731 -1.002 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.263 2.439 -9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.742 0.955 -10.681 1.00 0.00 H new ATOM 589 N LYS A 38 -2.212 4.065 -8.603 1.00 0.00 N ATOM 590 CA LYS A 38 -3.312 3.646 -9.512 1.00 0.00 C ATOM 591 C LYS A 38 -2.723 3.242 -10.866 1.00 0.00 C ATOM 592 O LYS A 38 -1.897 3.936 -11.425 1.00 0.00 O ATOM 593 CB LYS A 38 -4.281 4.814 -9.707 1.00 0.00 C ATOM 594 CG LYS A 38 -5.362 4.418 -10.714 1.00 0.00 C ATOM 595 CD LYS A 38 -6.673 4.151 -9.974 1.00 0.00 C ATOM 596 CE LYS A 38 -6.770 2.663 -9.638 1.00 0.00 C ATOM 597 NZ LYS A 38 -7.047 1.893 -10.884 1.00 0.00 N ATOM 0 H LYS A 38 -1.656 4.854 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.844 2.800 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.738 5.084 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.742 5.692 -10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.501 5.213 -11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.054 3.528 -11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.716 4.745 -9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.520 4.452 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.840 2.320 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.562 2.494 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.443 0.964 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.729 2.415 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.162 1.762 -11.415 1.00 0.00 H new ATOM 611 N ARG A 39 -3.142 2.129 -11.399 1.00 0.00 N ATOM 612 CA ARG A 39 -2.608 1.684 -12.717 1.00 0.00 C ATOM 613 C ARG A 39 -3.216 2.548 -13.823 1.00 0.00 C ATOM 614 O ARG A 39 -3.448 3.727 -13.641 1.00 0.00 O ATOM 615 CB ARG A 39 -2.981 0.217 -12.939 1.00 0.00 C ATOM 616 CG ARG A 39 -1.863 -0.482 -13.715 1.00 0.00 C ATOM 617 CD ARG A 39 -0.540 -0.322 -12.962 1.00 0.00 C ATOM 618 NE ARG A 39 0.442 0.390 -13.829 1.00 0.00 N ATOM 619 CZ ARG A 39 1.538 0.881 -13.315 1.00 0.00 C ATOM 620 NH1 ARG A 39 1.775 0.757 -12.037 1.00 0.00 N ATOM 621 NH2 ARG A 39 2.397 1.496 -14.078 1.00 0.00 N ATOM 0 H ARG A 39 -3.832 1.507 -10.979 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.523 1.788 -12.735 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.138 -0.278 -11.981 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.919 0.149 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.098 -1.539 -13.838 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.778 -0.056 -14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.699 0.237 -12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.150 -1.300 -12.679 1.00 0.00 H new ATOM 0 HE ARG A 39 0.257 0.494 -14.827 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.104 0.276 -11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.631 1.141 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.214 1.594 -15.077 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.253 1.879 -13.677 1.00 0.00 H new ATOM 635 N ASN A 40 -3.471 1.974 -14.966 1.00 0.00 N ATOM 636 CA ASN A 40 -4.068 2.759 -16.087 1.00 0.00 C ATOM 637 C ASN A 40 -5.594 2.744 -15.953 1.00 0.00 C ATOM 638 O ASN A 40 -6.311 2.514 -16.906 1.00 0.00 O ATOM 639 CB ASN A 40 -3.666 2.129 -17.422 1.00 0.00 C ATOM 640 CG ASN A 40 -2.462 2.876 -18.000 1.00 0.00 C ATOM 641 OD1 ASN A 40 -1.770 3.579 -17.291 1.00 0.00 O ATOM 642 ND2 ASN A 40 -2.183 2.754 -19.269 1.00 0.00 N ATOM 0 H ASN A 40 -3.292 0.992 -15.174 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.706 3.787 -16.050 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.420 1.077 -17.280 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.501 2.169 -18.121 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.384 3.249 -19.665 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.764 2.164 -19.864 1.00 0.00 H new ATOM 649 N GLU A 41 -6.085 2.979 -14.768 1.00 0.00 N ATOM 650 CA GLU A 41 -7.556 2.975 -14.533 1.00 0.00 C ATOM 651 C GLU A 41 -8.193 1.749 -15.185 1.00 0.00 C ATOM 652 O GLU A 41 -9.057 1.869 -16.032 1.00 0.00 O ATOM 653 CB GLU A 41 -8.175 4.251 -15.106 1.00 0.00 C ATOM 654 CG GLU A 41 -8.154 5.350 -14.043 1.00 0.00 C ATOM 655 CD GLU A 41 -7.095 6.392 -14.407 1.00 0.00 C ATOM 656 OE1 GLU A 41 -6.353 6.150 -15.343 1.00 0.00 O ATOM 657 OE2 GLU A 41 -7.045 7.414 -13.742 1.00 0.00 O ATOM 0 H GLU A 41 -5.521 3.176 -13.941 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.742 2.937 -13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.621 4.573 -15.988 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.199 4.059 -15.426 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.134 5.821 -13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.936 4.921 -13.065 1.00 0.00 H new ATOM 664 N PRO A 42 -7.755 0.605 -14.743 1.00 0.00 N ATOM 665 CA PRO A 42 -8.229 -0.724 -15.196 1.00 0.00 C ATOM 666 C PRO A 42 -9.488 -1.102 -14.420 1.00 0.00 C ATOM 667 O PRO A 42 -10.600 -0.988 -14.897 1.00 0.00 O ATOM 668 CB PRO A 42 -7.099 -1.691 -14.853 1.00 0.00 C ATOM 669 CG PRO A 42 -6.301 -1.029 -13.721 1.00 0.00 C ATOM 670 CD PRO A 42 -6.694 0.446 -13.710 1.00 0.00 C ATOM 0 HA PRO A 42 -8.470 -0.740 -16.259 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.495 -2.657 -14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.466 -1.874 -15.721 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.528 -1.497 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.229 -1.143 -13.885 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.061 0.743 -12.727 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.835 1.079 -13.934 1.00 0.00 H new ATOM 678 N ASN A 43 -9.295 -1.545 -13.219 1.00 0.00 N ATOM 679 CA ASN A 43 -10.431 -1.943 -12.347 1.00 0.00 C ATOM 680 C ASN A 43 -9.854 -2.447 -11.024 1.00 0.00 C ATOM 681 O ASN A 43 -10.055 -3.583 -10.642 1.00 0.00 O ATOM 682 CB ASN A 43 -11.236 -3.057 -13.021 1.00 0.00 C ATOM 683 CG ASN A 43 -12.706 -2.943 -12.610 1.00 0.00 C ATOM 684 OD1 ASN A 43 -13.283 -3.886 -12.106 1.00 0.00 O ATOM 685 ND2 ASN A 43 -13.341 -1.819 -12.806 1.00 0.00 N ATOM 0 H ASN A 43 -8.375 -1.652 -12.791 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.093 -1.094 -12.173 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.143 -2.983 -14.105 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.841 -4.031 -12.733 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.321 -1.733 -12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.857 -1.027 -13.229 1.00 0.00 H new ATOM 692 N SER A 44 -9.119 -1.609 -10.337 1.00 0.00 N ATOM 693 CA SER A 44 -8.498 -2.030 -9.048 1.00 0.00 C ATOM 694 C SER A 44 -7.442 -1.000 -8.631 1.00 0.00 C ATOM 695 O SER A 44 -7.377 0.086 -9.168 1.00 0.00 O ATOM 696 CB SER A 44 -7.817 -3.383 -9.243 1.00 0.00 C ATOM 697 OG SER A 44 -7.475 -3.543 -10.615 1.00 0.00 O ATOM 0 H SER A 44 -8.923 -0.648 -10.616 1.00 0.00 H new ATOM 0 HA SER A 44 -9.266 -2.103 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.922 -3.446 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.481 -4.187 -8.926 1.00 0.00 H new ATOM 0 HG SER A 44 -6.525 -3.338 -10.741 1.00 0.00 H new ATOM 703 N TYR A 45 -6.610 -1.333 -7.678 1.00 0.00 N ATOM 704 CA TYR A 45 -5.555 -0.371 -7.236 1.00 0.00 C ATOM 705 C TYR A 45 -4.295 -1.151 -6.859 1.00 0.00 C ATOM 706 O TYR A 45 -4.226 -2.350 -7.044 1.00 0.00 O ATOM 707 CB TYR A 45 -6.046 0.416 -6.019 1.00 0.00 C ATOM 708 CG TYR A 45 -7.118 1.391 -6.443 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.398 0.928 -6.766 1.00 0.00 C ATOM 710 CD2 TYR A 45 -6.831 2.761 -6.508 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.393 1.834 -7.156 1.00 0.00 C ATOM 712 CE2 TYR A 45 -7.824 3.666 -6.898 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.105 3.203 -7.223 1.00 0.00 C ATOM 714 OH TYR A 45 -10.085 4.096 -7.607 1.00 0.00 O ATOM 0 H TYR A 45 -6.615 -2.227 -7.187 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.335 0.324 -8.047 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.439 -0.267 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.215 0.951 -5.560 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.619 -0.128 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.843 3.118 -6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.381 1.477 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.603 4.722 -6.948 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.720 5.005 -7.600 1.00 0.00 H new ATOM 724 N ALA A 46 -3.293 -0.493 -6.334 1.00 0.00 N ATOM 725 CA ALA A 46 -2.056 -1.236 -5.961 1.00 0.00 C ATOM 726 C ALA A 46 -1.306 -0.496 -4.852 1.00 0.00 C ATOM 727 O ALA A 46 -0.949 0.654 -4.996 1.00 0.00 O ATOM 728 CB ALA A 46 -1.154 -1.364 -7.189 1.00 0.00 C ATOM 0 H ALA A 46 -3.278 0.510 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.332 -2.226 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.248 -1.907 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.682 -1.906 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.888 -0.371 -7.550 1.00 0.00 H new ATOM 734 N ILE A 47 -1.053 -1.151 -3.750 1.00 0.00 N ATOM 735 CA ILE A 47 -0.314 -0.480 -2.640 1.00 0.00 C ATOM 736 C ILE A 47 1.185 -0.730 -2.817 1.00 0.00 C ATOM 737 O ILE A 47 1.658 -1.840 -2.694 1.00 0.00 O ATOM 738 CB ILE A 47 -0.776 -1.038 -1.292 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.240 -0.658 -1.059 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.086 -0.450 -0.174 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.990 -1.855 -0.468 1.00 0.00 C ATOM 0 H ILE A 47 -1.325 -2.118 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.514 0.591 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.677 -2.123 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.302 0.194 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.702 -0.354 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.243 -0.847 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.129 -0.718 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.013 0.635 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.033 -1.585 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.939 -2.695 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.533 -2.139 0.480 1.00 0.00 H new ATOM 753 N SER A 48 1.933 0.295 -3.117 1.00 0.00 N ATOM 754 CA SER A 48 3.399 0.115 -3.320 1.00 0.00 C ATOM 755 C SER A 48 4.148 0.367 -2.009 1.00 0.00 C ATOM 756 O SER A 48 4.317 1.494 -1.588 1.00 0.00 O ATOM 757 CB SER A 48 3.884 1.107 -4.377 1.00 0.00 C ATOM 758 OG SER A 48 3.307 2.381 -4.123 1.00 0.00 O ATOM 0 H SER A 48 1.593 1.250 -3.231 1.00 0.00 H new ATOM 0 HA SER A 48 3.592 -0.906 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.972 1.176 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.606 0.761 -5.372 1.00 0.00 H new ATOM 0 HG SER A 48 3.617 3.021 -4.798 1.00 0.00 H new ATOM 764 N PHE A 49 4.611 -0.672 -1.367 1.00 0.00 N ATOM 765 CA PHE A 49 5.358 -0.480 -0.093 1.00 0.00 C ATOM 766 C PHE A 49 6.670 -1.266 -0.142 1.00 0.00 C ATOM 767 O PHE A 49 6.708 -2.412 -0.548 1.00 0.00 O ATOM 768 CB PHE A 49 4.507 -0.961 1.085 1.00 0.00 C ATOM 769 CG PHE A 49 4.276 -2.449 0.990 1.00 0.00 C ATOM 770 CD1 PHE A 49 5.194 -3.339 1.559 1.00 0.00 C ATOM 771 CD2 PHE A 49 3.134 -2.938 0.344 1.00 0.00 C ATOM 772 CE1 PHE A 49 4.970 -4.719 1.481 1.00 0.00 C ATOM 773 CE2 PHE A 49 2.912 -4.316 0.266 1.00 0.00 C ATOM 774 CZ PHE A 49 3.830 -5.207 0.834 1.00 0.00 C ATOM 0 H PHE A 49 4.504 -1.640 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 49 5.580 0.579 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.006 -0.723 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.551 -0.437 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.074 -2.962 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.425 -2.251 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.677 -5.407 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.032 -4.693 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.658 -6.271 0.773 1.00 0.00 H new ATOM 784 N ARG A 50 7.747 -0.654 0.264 1.00 0.00 N ATOM 785 CA ARG A 50 9.060 -1.354 0.242 1.00 0.00 C ATOM 786 C ARG A 50 9.379 -1.877 1.645 1.00 0.00 C ATOM 787 O ARG A 50 9.048 -1.260 2.639 1.00 0.00 O ATOM 788 CB ARG A 50 10.146 -0.371 -0.211 1.00 0.00 C ATOM 789 CG ARG A 50 11.529 -0.894 0.190 1.00 0.00 C ATOM 790 CD ARG A 50 12.042 -0.107 1.399 1.00 0.00 C ATOM 791 NE ARG A 50 11.810 1.348 1.179 1.00 0.00 N ATOM 792 CZ ARG A 50 11.884 2.181 2.183 1.00 0.00 C ATOM 793 NH1 ARG A 50 12.460 1.812 3.295 1.00 0.00 N ATOM 794 NH2 ARG A 50 11.382 3.380 2.073 1.00 0.00 N ATOM 0 H ARG A 50 7.774 0.305 0.611 1.00 0.00 H new ATOM 0 HA ARG A 50 9.023 -2.194 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.098 -0.237 -1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.974 0.607 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.472 -1.955 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 50 12.223 -0.793 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.530 -0.435 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.105 -0.298 1.547 1.00 0.00 H new ATOM 0 HE ARG A 50 11.593 1.694 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.852 0.874 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.518 2.462 4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.932 3.667 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.439 4.031 2.856 1.00 0.00 H new ATOM 808 N ALA A 51 10.022 -3.010 1.730 1.00 0.00 N ATOM 809 CA ALA A 51 10.366 -3.575 3.064 1.00 0.00 C ATOM 810 C ALA A 51 11.511 -4.579 2.909 1.00 0.00 C ATOM 811 O ALA A 51 11.647 -5.228 1.891 1.00 0.00 O ATOM 812 CB ALA A 51 9.143 -4.282 3.649 1.00 0.00 C ATOM 0 H ALA A 51 10.324 -3.569 0.932 1.00 0.00 H new ATOM 0 HA ALA A 51 10.674 -2.771 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.394 -4.696 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.327 -3.568 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.835 -5.087 2.982 1.00 0.00 H new ATOM 818 N GLU A 52 12.337 -4.706 3.912 1.00 0.00 N ATOM 819 CA GLU A 52 13.478 -5.664 3.830 1.00 0.00 C ATOM 820 C GLU A 52 14.534 -5.127 2.860 1.00 0.00 C ATOM 821 O GLU A 52 15.527 -5.772 2.590 1.00 0.00 O ATOM 822 CB GLU A 52 12.975 -7.023 3.337 1.00 0.00 C ATOM 823 CG GLU A 52 13.942 -8.120 3.790 1.00 0.00 C ATOM 824 CD GLU A 52 13.457 -8.714 5.112 1.00 0.00 C ATOM 825 OE1 GLU A 52 12.756 -8.019 5.831 1.00 0.00 O ATOM 826 OE2 GLU A 52 13.795 -9.854 5.387 1.00 0.00 O ATOM 0 H GLU A 52 12.271 -4.186 4.787 1.00 0.00 H new ATOM 0 HA GLU A 52 13.921 -5.779 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.977 -7.218 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.894 -7.020 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.006 -8.899 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.944 -7.709 3.910 1.00 0.00 H new ATOM 833 N GLY A 53 14.330 -3.947 2.336 1.00 0.00 N ATOM 834 CA GLY A 53 15.328 -3.372 1.389 1.00 0.00 C ATOM 835 C GLY A 53 14.937 -3.715 -0.051 1.00 0.00 C ATOM 836 O GLY A 53 15.663 -3.434 -0.984 1.00 0.00 O ATOM 0 H GLY A 53 13.518 -3.359 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.379 -2.290 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.320 -3.766 1.609 1.00 0.00 H new ATOM 840 N LYS A 54 13.796 -4.321 -0.241 1.00 0.00 N ATOM 841 CA LYS A 54 13.365 -4.679 -1.623 1.00 0.00 C ATOM 842 C LYS A 54 12.014 -4.028 -1.925 1.00 0.00 C ATOM 843 O LYS A 54 11.290 -3.635 -1.032 1.00 0.00 O ATOM 844 CB LYS A 54 13.234 -6.199 -1.737 1.00 0.00 C ATOM 845 CG LYS A 54 14.275 -6.732 -2.724 1.00 0.00 C ATOM 846 CD LYS A 54 14.362 -8.254 -2.601 1.00 0.00 C ATOM 847 CE LYS A 54 15.814 -8.700 -2.789 1.00 0.00 C ATOM 848 NZ LYS A 54 16.586 -8.410 -1.549 1.00 0.00 N ATOM 0 H LYS A 54 13.145 -4.583 0.499 1.00 0.00 H new ATOM 0 HA LYS A 54 14.107 -4.321 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.375 -6.660 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.231 -6.463 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.002 -6.454 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.248 -6.284 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.996 -8.572 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.726 -8.727 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.852 -9.766 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.259 -8.180 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.479 -8.943 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.791 -7.392 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.028 -8.693 -0.718 1.00 0.00 H new ATOM 862 N ILE A 55 11.666 -3.914 -3.178 1.00 0.00 N ATOM 863 CA ILE A 55 10.359 -3.292 -3.534 1.00 0.00 C ATOM 864 C ILE A 55 9.240 -4.314 -3.325 1.00 0.00 C ATOM 865 O ILE A 55 9.320 -5.436 -3.782 1.00 0.00 O ATOM 866 CB ILE A 55 10.381 -2.857 -5.001 1.00 0.00 C ATOM 867 CG1 ILE A 55 11.736 -2.226 -5.331 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.272 -1.830 -5.243 1.00 0.00 C ATOM 869 CD1 ILE A 55 12.001 -1.055 -4.386 1.00 0.00 C ATOM 0 H ILE A 55 12.230 -4.224 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 55 10.186 -2.422 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 55 10.222 -3.727 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.527 -2.969 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.746 -1.881 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.286 -1.519 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.305 -2.277 -5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.434 -0.962 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.966 -0.607 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.216 -0.308 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.010 -1.413 -3.357 1.00 0.00 H new ATOM 881 N LYS A 56 8.197 -3.937 -2.636 1.00 0.00 N ATOM 882 CA LYS A 56 7.081 -4.894 -2.400 1.00 0.00 C ATOM 883 C LYS A 56 5.758 -4.255 -2.827 1.00 0.00 C ATOM 884 O LYS A 56 4.976 -3.815 -2.007 1.00 0.00 O ATOM 885 CB LYS A 56 7.021 -5.245 -0.912 1.00 0.00 C ATOM 886 CG LYS A 56 6.634 -6.715 -0.746 1.00 0.00 C ATOM 887 CD LYS A 56 7.864 -7.525 -0.329 1.00 0.00 C ATOM 888 CE LYS A 56 7.530 -9.018 -0.365 1.00 0.00 C ATOM 889 NZ LYS A 56 7.560 -9.501 -1.774 1.00 0.00 N ATOM 0 H LYS A 56 8.071 -3.011 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 56 7.249 -5.800 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.988 -5.058 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.295 -4.608 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.850 -6.813 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.230 -7.103 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.697 -7.312 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.180 -7.236 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.247 -9.576 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.545 -9.192 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.659 -9.970 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.700 -8.694 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.341 -10.177 -1.893 1.00 0.00 H new ATOM 903 N HIS A 57 5.499 -4.203 -4.105 1.00 0.00 N ATOM 904 CA HIS A 57 4.224 -3.597 -4.583 1.00 0.00 C ATOM 905 C HIS A 57 3.058 -4.498 -4.179 1.00 0.00 C ATOM 906 O HIS A 57 3.247 -5.642 -3.826 1.00 0.00 O ATOM 907 CB HIS A 57 4.265 -3.461 -6.106 1.00 0.00 C ATOM 908 CG HIS A 57 4.770 -2.092 -6.471 1.00 0.00 C ATOM 909 ND1 HIS A 57 4.877 -1.669 -7.788 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.200 -1.038 -5.703 1.00 0.00 C ATOM 911 CE1 HIS A 57 5.356 -0.411 -7.772 1.00 0.00 C ATOM 912 NE2 HIS A 57 5.571 0.022 -6.526 1.00 0.00 N ATOM 0 H HIS A 57 6.115 -4.554 -4.839 1.00 0.00 H new ATOM 0 HA HIS A 57 4.095 -2.611 -4.137 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.913 -4.226 -6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.270 -3.617 -6.523 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.244 -1.032 -4.624 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.544 0.177 -8.658 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.930 0.933 -6.240 1.00 0.00 H new ATOM 920 N CYS A 58 1.854 -3.993 -4.225 1.00 0.00 N ATOM 921 CA CYS A 58 0.677 -4.827 -3.841 1.00 0.00 C ATOM 922 C CYS A 58 -0.455 -4.591 -4.838 1.00 0.00 C ATOM 923 O CYS A 58 -0.604 -3.511 -5.371 1.00 0.00 O ATOM 924 CB CYS A 58 0.216 -4.443 -2.435 1.00 0.00 C ATOM 925 SG CYS A 58 -1.380 -5.220 -2.081 1.00 0.00 S ATOM 0 H CYS A 58 1.634 -3.039 -4.512 1.00 0.00 H new ATOM 0 HA CYS A 58 0.955 -5.881 -3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.956 -4.760 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.130 -3.359 -2.354 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.766 -4.892 -0.884 1.00 0.00 H new ATOM 931 N ARG A 59 -1.246 -5.594 -5.105 1.00 0.00 N ATOM 932 CA ARG A 59 -2.355 -5.422 -6.086 1.00 0.00 C ATOM 933 C ARG A 59 -3.699 -5.815 -5.458 1.00 0.00 C ATOM 934 O ARG A 59 -3.962 -6.973 -5.200 1.00 0.00 O ATOM 935 CB ARG A 59 -2.072 -6.311 -7.304 1.00 0.00 C ATOM 936 CG ARG A 59 -3.348 -6.495 -8.130 1.00 0.00 C ATOM 937 CD ARG A 59 -4.015 -5.138 -8.353 1.00 0.00 C ATOM 938 NE ARG A 59 -5.043 -5.260 -9.427 1.00 0.00 N ATOM 939 CZ ARG A 59 -4.822 -6.023 -10.463 1.00 0.00 C ATOM 940 NH1 ARG A 59 -4.875 -7.321 -10.340 1.00 0.00 N ATOM 941 NH2 ARG A 59 -4.547 -5.487 -11.620 1.00 0.00 N ATOM 0 H ARG A 59 -1.173 -6.522 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.413 -4.376 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.293 -5.861 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.698 -7.281 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.109 -6.956 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.033 -7.168 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.478 -4.792 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.268 -4.395 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.921 -4.746 -9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.089 -7.739 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.702 -7.917 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.505 -4.472 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.374 -6.083 -12.430 1.00 0.00 H new ATOM 955 N VAL A 60 -4.560 -4.856 -5.241 1.00 0.00 N ATOM 956 CA VAL A 60 -5.903 -5.162 -4.666 1.00 0.00 C ATOM 957 C VAL A 60 -6.902 -5.219 -5.823 1.00 0.00 C ATOM 958 O VAL A 60 -6.743 -4.529 -6.809 1.00 0.00 O ATOM 959 CB VAL A 60 -6.311 -4.058 -3.688 1.00 0.00 C ATOM 960 CG1 VAL A 60 -7.805 -4.173 -3.376 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.509 -4.201 -2.392 1.00 0.00 C ATOM 0 H VAL A 60 -4.390 -3.870 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.882 -6.111 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.108 -3.086 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.093 -3.386 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.378 -4.070 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.009 -5.146 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.800 -3.415 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.711 -5.174 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.445 -4.116 -2.611 1.00 0.00 H new ATOM 971 N GLN A 61 -7.923 -6.032 -5.734 1.00 0.00 N ATOM 972 CA GLN A 61 -8.891 -6.104 -6.870 1.00 0.00 C ATOM 973 C GLN A 61 -10.319 -6.246 -6.351 1.00 0.00 C ATOM 974 O GLN A 61 -10.579 -6.949 -5.397 1.00 0.00 O ATOM 975 CB GLN A 61 -8.550 -7.305 -7.754 1.00 0.00 C ATOM 976 CG GLN A 61 -8.058 -6.813 -9.118 1.00 0.00 C ATOM 977 CD GLN A 61 -9.246 -6.682 -10.073 1.00 0.00 C ATOM 978 OE1 GLN A 61 -10.273 -7.299 -9.873 1.00 0.00 O ATOM 979 NE2 GLN A 61 -9.148 -5.899 -11.112 1.00 0.00 N ATOM 0 H GLN A 61 -8.127 -6.639 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.819 -5.184 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.782 -7.915 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.428 -7.939 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.557 -5.851 -9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.326 -7.510 -9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.286 -5.381 -11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.934 -5.805 -11.756 1.00 0.00 H new ATOM 988 N GLN A 62 -11.250 -5.582 -6.985 1.00 0.00 N ATOM 989 CA GLN A 62 -12.669 -5.666 -6.544 1.00 0.00 C ATOM 990 C GLN A 62 -13.432 -6.646 -7.439 1.00 0.00 C ATOM 991 O GLN A 62 -12.866 -7.275 -8.310 1.00 0.00 O ATOM 992 CB GLN A 62 -13.308 -4.277 -6.640 1.00 0.00 C ATOM 993 CG GLN A 62 -13.552 -3.924 -8.109 1.00 0.00 C ATOM 994 CD GLN A 62 -13.241 -2.444 -8.339 1.00 0.00 C ATOM 995 OE1 GLN A 62 -12.200 -1.962 -7.941 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.107 -1.698 -8.970 1.00 0.00 N ATOM 0 H GLN A 62 -11.085 -4.983 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.710 -6.019 -5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.249 -4.260 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.657 -3.534 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.924 -4.542 -8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.587 -4.134 -8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.981 -2.103 -9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.909 -0.710 -9.129 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.716 -6.784 -7.229 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.510 -7.727 -8.067 1.00 0.00 C ATOM 1007 C GLU A 63 -16.973 -7.278 -8.106 1.00 0.00 C ATOM 1008 O GLU A 63 -17.835 -7.885 -7.503 1.00 0.00 O ATOM 1009 CB GLU A 63 -15.425 -9.133 -7.467 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.947 -10.156 -8.478 1.00 0.00 C ATOM 1011 CD GLU A 63 -16.089 -11.518 -7.797 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -15.070 -12.112 -7.485 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -17.215 -11.946 -7.600 1.00 0.00 O ATOM 0 H GLU A 63 -15.246 -6.285 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.109 -7.735 -9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.394 -9.364 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.010 -9.183 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.910 -9.833 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.263 -10.230 -9.323 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.261 -6.221 -8.815 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.669 -5.737 -8.897 1.00 0.00 C ATOM 1022 C GLY A 64 -18.848 -4.520 -7.987 1.00 0.00 C ATOM 1023 O GLY A 64 -18.011 -3.641 -7.936 1.00 0.00 O ATOM 0 H GLY A 64 -16.582 -5.671 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.914 -5.473 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.355 -6.530 -8.599 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.936 -4.463 -7.272 1.00 0.00 N ATOM 1028 CA GLN A 65 -20.177 -3.303 -6.366 1.00 0.00 C ATOM 1029 C GLN A 65 -19.333 -3.458 -5.100 1.00 0.00 C ATOM 1030 O GLN A 65 -19.167 -2.526 -4.336 1.00 0.00 O ATOM 1031 CB GLN A 65 -21.659 -3.248 -5.992 1.00 0.00 C ATOM 1032 CG GLN A 65 -22.080 -4.588 -5.382 1.00 0.00 C ATOM 1033 CD GLN A 65 -23.503 -4.474 -4.832 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -24.455 -4.429 -5.584 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -23.688 -4.425 -3.541 1.00 0.00 N ATOM 0 H GLN A 65 -20.671 -5.170 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.897 -2.380 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.836 -2.441 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -22.261 -3.033 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.032 -5.374 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.392 -4.869 -4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.888 -4.463 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -24.633 -4.349 -3.164 1.00 0.00 H new ATOM 1044 N THR A 66 -18.796 -4.624 -4.870 1.00 0.00 N ATOM 1045 CA THR A 66 -17.959 -4.833 -3.656 1.00 0.00 C ATOM 1046 C THR A 66 -16.491 -4.884 -4.069 1.00 0.00 C ATOM 1047 O THR A 66 -16.169 -4.821 -5.237 1.00 0.00 O ATOM 1048 CB THR A 66 -18.349 -6.150 -2.982 1.00 0.00 C ATOM 1049 OG1 THR A 66 -19.604 -6.584 -3.485 1.00 0.00 O ATOM 1050 CG2 THR A 66 -18.446 -5.942 -1.470 1.00 0.00 C ATOM 0 H THR A 66 -18.901 -5.442 -5.471 1.00 0.00 H new ATOM 0 HA THR A 66 -18.117 -4.014 -2.955 1.00 0.00 H new ATOM 0 HB THR A 66 -17.592 -6.905 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.854 -7.428 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.724 -6.881 -0.991 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.482 -5.610 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 66 -19.202 -5.187 -1.254 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.594 -4.994 -3.127 1.00 0.00 N ATOM 1059 CA VAL A 67 -14.151 -5.046 -3.491 1.00 0.00 C ATOM 1060 C VAL A 67 -13.443 -6.126 -2.668 1.00 0.00 C ATOM 1061 O VAL A 67 -13.947 -6.593 -1.665 1.00 0.00 O ATOM 1062 CB VAL A 67 -13.503 -3.687 -3.224 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -13.371 -3.472 -1.718 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -12.115 -3.649 -3.865 1.00 0.00 C ATOM 0 H VAL A 67 -15.796 -5.050 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.059 -5.288 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 67 -14.124 -2.900 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.909 -2.503 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -14.359 -3.499 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.750 -4.260 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.653 -2.680 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.495 -4.437 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.206 -3.803 -4.940 1.00 0.00 H new ATOM 1074 N MET A 68 -12.270 -6.519 -3.087 1.00 0.00 N ATOM 1075 CA MET A 68 -11.514 -7.565 -2.346 1.00 0.00 C ATOM 1076 C MET A 68 -10.124 -7.031 -2.011 1.00 0.00 C ATOM 1077 O MET A 68 -9.313 -6.776 -2.887 1.00 0.00 O ATOM 1078 CB MET A 68 -11.385 -8.818 -3.215 1.00 0.00 C ATOM 1079 CG MET A 68 -10.920 -9.993 -2.352 1.00 0.00 C ATOM 1080 SD MET A 68 -10.452 -11.377 -3.418 1.00 0.00 S ATOM 1081 CE MET A 68 -8.704 -10.943 -3.596 1.00 0.00 C ATOM 0 H MET A 68 -11.801 -6.156 -3.917 1.00 0.00 H new ATOM 0 HA MET A 68 -12.043 -7.819 -1.427 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.343 -9.051 -3.680 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.674 -8.642 -4.022 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.073 -9.692 -1.736 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.717 -10.297 -1.673 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.209 -11.679 -4.229 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.619 -9.956 -4.051 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.230 -10.932 -2.614 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.846 -6.852 -0.750 1.00 0.00 N ATOM 1092 CA LEU A 69 -8.516 -6.324 -0.351 1.00 0.00 C ATOM 1093 C LEU A 69 -7.485 -7.454 -0.400 1.00 0.00 C ATOM 1094 O LEU A 69 -6.491 -7.368 -1.094 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.608 -5.747 1.069 1.00 0.00 C ATOM 1096 CG LEU A 69 -7.210 -5.579 1.677 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -6.725 -6.922 2.227 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.231 -5.079 0.608 1.00 0.00 C ATOM 0 H LEU A 69 -10.484 -7.049 0.021 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.207 -5.535 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.117 -4.784 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.206 -6.407 1.697 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.258 -4.850 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.731 -6.801 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.415 -7.271 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.683 -7.652 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.241 -4.962 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.183 -5.801 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.572 -4.118 0.223 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.711 -8.516 0.326 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.735 -9.642 0.311 1.00 0.00 C ATOM 1112 C GLY A 70 -7.369 -10.891 0.930 1.00 0.00 C ATOM 1113 O GLY A 70 -7.568 -11.889 0.268 1.00 0.00 O ATOM 0 H GLY A 70 -8.525 -8.652 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.424 -9.851 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.839 -9.365 0.867 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.678 -10.846 2.197 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.288 -12.034 2.859 1.00 0.00 C ATOM 1119 C ASN A 71 -9.814 -11.943 2.789 1.00 0.00 C ATOM 1120 O ASN A 71 -10.503 -12.944 2.773 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.848 -12.078 4.323 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.448 -13.311 5.003 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.329 -13.193 5.832 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.006 -14.496 4.685 1.00 0.00 N ATOM 0 H ASN A 71 -7.534 -10.038 2.803 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.960 -12.939 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.760 -12.109 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.171 -11.173 4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.400 -15.324 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.267 -14.595 3.989 1.00 0.00 H new ATOM 1131 N SER A 72 -10.349 -10.754 2.749 1.00 0.00 N ATOM 1132 CA SER A 72 -11.831 -10.612 2.686 1.00 0.00 C ATOM 1133 C SER A 72 -12.199 -9.412 1.811 1.00 0.00 C ATOM 1134 O SER A 72 -11.348 -8.666 1.370 1.00 0.00 O ATOM 1135 CB SER A 72 -12.380 -10.399 4.097 1.00 0.00 C ATOM 1136 OG SER A 72 -12.046 -11.520 4.904 1.00 0.00 O ATOM 0 H SER A 72 -9.827 -9.878 2.757 1.00 0.00 H new ATOM 0 HA SER A 72 -12.262 -11.516 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.964 -9.489 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.462 -10.270 4.063 1.00 0.00 H new ATOM 0 HG SER A 72 -12.395 -11.386 5.810 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.465 -9.223 1.559 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.897 -8.074 0.715 1.00 0.00 C ATOM 1144 C GLU A 73 -14.310 -6.910 1.616 1.00 0.00 C ATOM 1145 O GLU A 73 -14.923 -7.103 2.647 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.087 -8.495 -0.150 1.00 0.00 C ATOM 1147 CG GLU A 73 -14.604 -9.400 -1.285 1.00 0.00 C ATOM 1148 CD GLU A 73 -14.359 -10.811 -0.745 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -14.969 -11.154 0.255 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -13.567 -11.523 -1.340 1.00 0.00 O ATOM 0 H GLU A 73 -14.220 -9.816 1.902 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.073 -7.764 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.824 -9.020 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.581 -7.614 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.346 -9.428 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.687 -9.000 -1.717 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.984 -5.705 1.239 1.00 0.00 N ATOM 1158 CA PHE A 74 -14.367 -4.541 2.083 1.00 0.00 C ATOM 1159 C PHE A 74 -15.267 -3.595 1.286 1.00 0.00 C ATOM 1160 O PHE A 74 -15.789 -3.948 0.246 1.00 0.00 O ATOM 1161 CB PHE A 74 -13.110 -3.795 2.552 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.240 -3.394 1.375 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.553 -4.365 0.636 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.098 -2.040 1.046 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -10.731 -3.980 -0.433 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.279 -1.658 -0.022 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.595 -2.627 -0.761 1.00 0.00 C ATOM 0 H PHE A 74 -13.471 -5.477 0.387 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.911 -4.900 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.399 -2.907 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.539 -4.429 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.656 -5.410 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.622 -1.289 1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.202 -4.729 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.175 -0.613 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.962 -2.332 -1.585 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.462 -2.401 1.771 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.336 -1.433 1.046 1.00 0.00 C ATOM 1179 C ASP A 75 -15.911 -0.004 1.391 1.00 0.00 C ATOM 1180 O ASP A 75 -16.623 0.948 1.137 1.00 0.00 O ATOM 1181 CB ASP A 75 -17.791 -1.647 1.467 1.00 0.00 C ATOM 1182 CG ASP A 75 -18.688 -1.615 0.228 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.497 -2.452 -0.639 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -19.550 -0.755 0.168 1.00 0.00 O ATOM 0 H ASP A 75 -15.054 -2.052 2.638 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.241 -1.591 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.896 -2.603 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.096 -0.872 2.170 1.00 0.00 H new ATOM 1189 N SER A 76 -14.749 0.151 1.962 1.00 0.00 N ATOM 1190 CA SER A 76 -14.257 1.507 2.321 1.00 0.00 C ATOM 1191 C SER A 76 -12.730 1.463 2.390 1.00 0.00 C ATOM 1192 O SER A 76 -12.159 1.141 3.409 1.00 0.00 O ATOM 1193 CB SER A 76 -14.822 1.914 3.682 1.00 0.00 C ATOM 1194 OG SER A 76 -14.855 0.777 4.535 1.00 0.00 O ATOM 0 H SER A 76 -14.114 -0.612 2.197 1.00 0.00 H new ATOM 0 HA SER A 76 -14.578 2.233 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.207 2.697 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.825 2.324 3.565 1.00 0.00 H new ATOM 0 HG SER A 76 -13.968 0.361 4.560 1.00 0.00 H new ATOM 1200 N LEU A 77 -12.066 1.767 1.309 1.00 0.00 N ATOM 1201 CA LEU A 77 -10.576 1.726 1.310 1.00 0.00 C ATOM 1202 C LEU A 77 -10.029 2.538 2.489 1.00 0.00 C ATOM 1203 O LEU A 77 -8.893 2.375 2.890 1.00 0.00 O ATOM 1204 CB LEU A 77 -10.051 2.316 -0.002 1.00 0.00 C ATOM 1205 CG LEU A 77 -9.121 1.308 -0.680 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -9.234 1.445 -2.200 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -7.678 1.580 -0.251 1.00 0.00 C ATOM 0 H LEU A 77 -12.491 2.042 0.424 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.247 0.691 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.883 2.560 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.516 3.246 0.193 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.406 0.298 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.571 0.726 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.262 1.252 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.950 2.455 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.014 0.863 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.395 2.591 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.595 1.481 0.831 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.820 3.415 3.044 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.332 4.236 4.190 1.00 0.00 C ATOM 1221 C VAL A 78 -10.465 3.448 5.495 1.00 0.00 C ATOM 1222 O VAL A 78 -9.607 3.505 6.353 1.00 0.00 O ATOM 1223 CB VAL A 78 -11.160 5.517 4.287 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -10.476 6.497 5.242 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -11.278 6.154 2.901 1.00 0.00 C ATOM 0 H VAL A 78 -11.781 3.599 2.755 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.283 4.485 4.028 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.155 5.278 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.067 7.410 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.392 6.044 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.481 6.736 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.868 7.068 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.283 6.392 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.766 5.457 2.220 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.535 2.721 5.660 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.719 1.941 6.918 1.00 0.00 C ATOM 1237 C ASP A 79 -10.863 0.671 6.875 1.00 0.00 C ATOM 1238 O ASP A 79 -10.589 0.060 7.892 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.194 1.556 7.064 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.748 2.145 8.362 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.154 1.903 9.400 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -14.759 2.826 8.297 1.00 0.00 O ATOM 0 H ASP A 79 -12.290 2.633 4.980 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.411 2.551 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.764 1.926 6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.299 0.471 7.070 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.428 0.274 5.710 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.585 -0.950 5.608 1.00 0.00 C ATOM 1249 C LEU A 80 -8.155 -0.573 5.962 1.00 0.00 C ATOM 1250 O LEU A 80 -7.452 -1.302 6.628 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.641 -1.499 4.181 1.00 0.00 C ATOM 1252 CG LEU A 80 -10.664 -2.636 4.111 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -10.121 -3.866 4.838 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -11.967 -2.187 4.777 1.00 0.00 C ATOM 0 H LEU A 80 -10.620 0.744 4.825 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.950 -1.718 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.915 -0.706 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.658 -1.861 3.880 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.852 -2.888 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.853 -4.672 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.192 -4.187 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.930 -3.617 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.697 -2.995 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.774 -1.934 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.358 -1.312 4.258 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.732 0.577 5.538 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.359 1.032 5.868 1.00 0.00 C ATOM 1268 C ILE A 81 -6.359 1.505 7.326 1.00 0.00 C ATOM 1269 O ILE A 81 -5.361 1.445 8.018 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.975 2.179 4.919 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -5.323 1.597 3.664 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -4.992 3.135 5.601 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -6.398 0.979 2.768 1.00 0.00 C ATOM 0 H ILE A 81 -8.280 1.226 4.974 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.633 0.228 5.748 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.876 2.732 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.789 2.379 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.587 0.842 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.732 3.940 4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.454 3.555 6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.090 2.591 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.932 0.565 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.912 0.185 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.117 1.746 2.480 1.00 0.00 H new ATOM 1285 N SER A 82 -7.489 1.969 7.794 1.00 0.00 N ATOM 1286 CA SER A 82 -7.582 2.443 9.201 1.00 0.00 C ATOM 1287 C SER A 82 -7.302 1.278 10.148 1.00 0.00 C ATOM 1288 O SER A 82 -6.417 1.341 10.976 1.00 0.00 O ATOM 1289 CB SER A 82 -8.985 2.990 9.465 1.00 0.00 C ATOM 1290 OG SER A 82 -8.952 3.840 10.604 1.00 0.00 O ATOM 0 H SER A 82 -8.353 2.039 7.257 1.00 0.00 H new ATOM 0 HA SER A 82 -6.849 3.232 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.342 3.542 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.683 2.169 9.630 1.00 0.00 H new ATOM 0 HG SER A 82 -9.850 4.193 10.775 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.045 0.208 10.038 1.00 0.00 N ATOM 1297 CA TYR A 83 -7.792 -0.947 10.942 1.00 0.00 C ATOM 1298 C TYR A 83 -6.473 -1.619 10.535 1.00 0.00 C ATOM 1299 O TYR A 83 -5.863 -2.336 11.304 1.00 0.00 O ATOM 1300 CB TYR A 83 -8.970 -1.939 10.867 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.707 -3.012 9.835 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.744 -2.695 8.475 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -8.423 -4.321 10.242 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -8.497 -3.686 7.518 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -8.177 -5.313 9.286 1.00 0.00 C ATOM 1306 CZ TYR A 83 -8.214 -4.996 7.923 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.972 -5.973 6.980 1.00 0.00 O ATOM 0 H TYR A 83 -8.806 0.086 9.370 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.708 -0.605 11.974 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.127 -2.398 11.843 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.886 -1.404 10.616 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.963 -1.685 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.394 -4.565 11.294 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.525 -3.440 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.959 -6.323 9.600 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.337 -5.635 6.315 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.023 -1.379 9.330 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.742 -1.992 8.881 1.00 0.00 C ATOM 1319 C TYR A 84 -3.578 -1.221 9.500 1.00 0.00 C ATOM 1320 O TYR A 84 -2.456 -1.685 9.525 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.637 -1.936 7.357 1.00 0.00 C ATOM 1322 CG TYR A 84 -4.997 -3.285 6.784 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -4.484 -4.449 7.369 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -5.842 -3.375 5.671 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -4.815 -5.702 6.842 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -6.173 -4.629 5.145 1.00 0.00 C ATOM 1327 CZ TYR A 84 -5.660 -5.792 5.729 1.00 0.00 C ATOM 1328 OH TYR A 84 -5.986 -7.029 5.211 1.00 0.00 O ATOM 0 H TYR A 84 -6.487 -0.787 8.641 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.710 -3.034 9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.305 -1.170 6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.625 -1.660 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.832 -4.380 8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.238 -2.478 5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.419 -6.600 7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.825 -4.699 4.287 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.809 -7.354 5.633 1.00 0.00 H new ATOM 1338 N GLU A 85 -3.835 -0.048 10.011 1.00 0.00 N ATOM 1339 CA GLU A 85 -2.739 0.739 10.637 1.00 0.00 C ATOM 1340 C GLU A 85 -2.217 -0.035 11.849 1.00 0.00 C ATOM 1341 O GLU A 85 -1.160 0.249 12.375 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.276 2.101 11.086 1.00 0.00 C ATOM 1343 CG GLU A 85 -2.832 3.178 10.095 1.00 0.00 C ATOM 1344 CD GLU A 85 -3.392 4.534 10.529 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -4.572 4.595 10.835 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -2.632 5.488 10.550 1.00 0.00 O ATOM 0 H GLU A 85 -4.753 0.397 10.022 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.933 0.896 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.364 2.073 11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.908 2.337 12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.744 3.220 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.183 2.932 9.093 1.00 0.00 H new ATOM 1353 N LYS A 86 -2.950 -1.026 12.283 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.503 -1.841 13.445 1.00 0.00 C ATOM 1355 C LYS A 86 -2.245 -3.272 12.970 1.00 0.00 C ATOM 1356 O LYS A 86 -1.370 -3.955 13.466 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.593 -1.846 14.519 1.00 0.00 C ATOM 1358 CG LYS A 86 -3.244 -0.827 15.606 1.00 0.00 C ATOM 1359 CD LYS A 86 -3.380 0.588 15.041 1.00 0.00 C ATOM 1360 CE LYS A 86 -4.450 1.350 15.826 1.00 0.00 C ATOM 1361 NZ LYS A 86 -5.600 1.655 14.928 1.00 0.00 N ATOM 0 H LYS A 86 -3.844 -1.306 11.879 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.591 -1.418 13.866 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.558 -1.603 14.074 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.685 -2.841 14.954 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.905 -0.953 16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.227 -0.992 15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.425 1.110 15.106 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.649 0.545 13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.786 0.756 16.676 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.033 2.274 16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.328 2.173 15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.273 2.238 14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.002 0.767 14.565 1.00 0.00 H new ATOM 1375 N HIS A 87 -2.999 -3.727 12.005 1.00 0.00 N ATOM 1376 CA HIS A 87 -2.799 -5.112 11.487 1.00 0.00 C ATOM 1377 C HIS A 87 -1.802 -5.078 10.324 1.00 0.00 C ATOM 1378 O HIS A 87 -1.660 -4.073 9.658 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.135 -5.671 10.995 1.00 0.00 C ATOM 1380 CG HIS A 87 -4.837 -6.368 12.128 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -5.698 -7.433 11.920 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -4.816 -6.162 13.485 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -6.156 -7.825 13.123 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -5.649 -7.084 14.112 1.00 0.00 N ATOM 0 H HIS A 87 -3.745 -3.199 11.553 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.412 -5.747 12.284 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.758 -4.865 10.609 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.969 -6.367 10.173 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.240 -5.400 13.990 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.849 -8.640 13.271 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.833 -7.174 15.111 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.144 -6.185 10.122 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.129 -6.384 9.054 1.00 0.00 C ATOM 1394 C PRO A 88 -0.813 -6.646 7.709 1.00 0.00 C ATOM 1395 O PRO A 88 -1.763 -7.398 7.621 1.00 0.00 O ATOM 1396 CB PRO A 88 0.684 -7.602 9.484 1.00 0.00 C ATOM 1397 CG PRO A 88 -0.215 -8.398 10.437 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.300 -7.429 10.925 1.00 0.00 C ATOM 0 HA PRO A 88 0.500 -5.503 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.968 -8.205 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.606 -7.300 9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.659 -9.253 9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.360 -8.790 11.276 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.293 -7.857 10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.186 -7.222 11.989 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.331 -6.035 6.660 1.00 0.00 N ATOM 1407 CA LEU A 89 -0.947 -6.252 5.321 1.00 0.00 C ATOM 1408 C LEU A 89 -0.346 -7.511 4.694 1.00 0.00 C ATOM 1409 O LEU A 89 -0.989 -8.537 4.598 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.657 -5.045 4.424 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.975 -4.417 3.970 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.257 -3.163 4.801 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -1.874 -4.034 2.491 1.00 0.00 C ATOM 0 H LEU A 89 0.463 -5.395 6.674 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.025 -6.372 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.060 -4.311 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.072 -5.355 3.558 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.784 -5.134 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.197 -2.716 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.328 -3.433 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.448 -2.446 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.813 -3.586 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.064 -3.317 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.673 -4.926 1.897 1.00 0.00 H new ATOM 1425 N TYR A 90 0.889 -7.442 4.277 1.00 0.00 N ATOM 1426 CA TYR A 90 1.538 -8.636 3.666 1.00 0.00 C ATOM 1427 C TYR A 90 2.130 -9.498 4.785 1.00 0.00 C ATOM 1428 O TYR A 90 1.997 -9.186 5.951 1.00 0.00 O ATOM 1429 CB TYR A 90 2.651 -8.177 2.716 1.00 0.00 C ATOM 1430 CG TYR A 90 3.015 -9.300 1.771 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.006 -10.058 1.168 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.359 -9.586 1.500 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.339 -11.101 0.294 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.692 -10.629 0.628 1.00 0.00 C ATOM 1435 CZ TYR A 90 3.681 -11.386 0.025 1.00 0.00 C ATOM 1436 OH TYR A 90 4.008 -12.415 -0.835 1.00 0.00 O ATOM 0 H TYR A 90 1.476 -6.610 4.333 1.00 0.00 H new ATOM 0 HA TYR A 90 0.807 -9.217 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.322 -7.306 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.527 -7.873 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.969 -9.839 1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.139 -9.001 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.559 -11.685 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.729 -10.850 0.421 1.00 0.00 H new ATOM 0 HH TYR A 90 4.983 -12.479 -0.913 1.00 0.00 H new ATOM 1446 N ARG A 91 2.776 -10.581 4.446 1.00 0.00 N ATOM 1447 CA ARG A 91 3.370 -11.454 5.498 1.00 0.00 C ATOM 1448 C ARG A 91 4.753 -10.914 5.887 1.00 0.00 C ATOM 1449 O ARG A 91 5.770 -11.487 5.553 1.00 0.00 O ATOM 1450 CB ARG A 91 3.506 -12.880 4.952 1.00 0.00 C ATOM 1451 CG ARG A 91 2.757 -13.850 5.865 1.00 0.00 C ATOM 1452 CD ARG A 91 3.344 -13.776 7.274 1.00 0.00 C ATOM 1453 NE ARG A 91 4.830 -13.859 7.198 1.00 0.00 N ATOM 1454 CZ ARG A 91 5.557 -13.514 8.226 1.00 0.00 C ATOM 1455 NH1 ARG A 91 5.563 -12.274 8.633 1.00 0.00 N ATOM 1456 NH2 ARG A 91 6.276 -14.409 8.847 1.00 0.00 N ATOM 0 H ARG A 91 2.918 -10.898 3.487 1.00 0.00 H new ATOM 0 HA ARG A 91 2.727 -11.462 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.104 -12.933 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.558 -13.159 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.696 -13.600 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.837 -14.866 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.045 -12.845 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.954 -14.590 7.885 1.00 0.00 H new ATOM 0 HE ARG A 91 5.279 -14.185 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.000 -11.575 8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.131 -12.004 9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.270 -15.378 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.844 -14.139 9.650 1.00 0.00 H new ATOM 1470 N LYS A 92 4.795 -9.814 6.593 1.00 0.00 N ATOM 1471 CA LYS A 92 6.109 -9.235 7.004 1.00 0.00 C ATOM 1472 C LYS A 92 5.894 -7.824 7.561 1.00 0.00 C ATOM 1473 O LYS A 92 5.599 -7.647 8.726 1.00 0.00 O ATOM 1474 CB LYS A 92 7.047 -9.172 5.796 1.00 0.00 C ATOM 1475 CG LYS A 92 6.233 -8.933 4.522 1.00 0.00 C ATOM 1476 CD LYS A 92 6.981 -7.957 3.612 1.00 0.00 C ATOM 1477 CE LYS A 92 8.415 -8.449 3.405 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.395 -9.741 2.663 1.00 0.00 N ATOM 0 H LYS A 92 3.976 -9.291 6.903 1.00 0.00 H new ATOM 0 HA LYS A 92 6.556 -9.865 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.774 -8.371 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.609 -10.102 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.067 -9.876 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.252 -8.531 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.471 -7.875 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.987 -6.961 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.989 -7.707 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.909 -8.578 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.218 -9.790 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.431 -10.530 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.522 -9.806 2.102 1.00 0.00 H new ATOM 1492 N MET A 93 6.038 -6.817 6.741 1.00 0.00 N ATOM 1493 CA MET A 93 5.840 -5.424 7.232 1.00 0.00 C ATOM 1494 C MET A 93 4.419 -4.967 6.900 1.00 0.00 C ATOM 1495 O MET A 93 3.596 -5.745 6.459 1.00 0.00 O ATOM 1496 CB MET A 93 6.848 -4.493 6.556 1.00 0.00 C ATOM 1497 CG MET A 93 8.259 -4.831 7.042 1.00 0.00 C ATOM 1498 SD MET A 93 8.399 -4.442 8.803 1.00 0.00 S ATOM 1499 CE MET A 93 8.854 -6.099 9.370 1.00 0.00 C ATOM 0 H MET A 93 6.284 -6.899 5.754 1.00 0.00 H new ATOM 0 HA MET A 93 5.990 -5.394 8.311 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.789 -4.601 5.473 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.611 -3.454 6.786 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.470 -5.887 6.874 1.00 0.00 H new ATOM 0 HG3 MET A 93 8.997 -4.264 6.474 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.010 -6.084 10.449 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.054 -6.799 9.128 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.773 -6.413 8.875 1.00 0.00 H new ATOM 1509 N LYS A 94 4.119 -3.714 7.109 1.00 0.00 N ATOM 1510 CA LYS A 94 2.748 -3.222 6.804 1.00 0.00 C ATOM 1511 C LYS A 94 2.798 -1.720 6.531 1.00 0.00 C ATOM 1512 O LYS A 94 3.833 -1.171 6.209 1.00 0.00 O ATOM 1513 CB LYS A 94 1.833 -3.494 7.999 1.00 0.00 C ATOM 1514 CG LYS A 94 2.227 -2.581 9.161 1.00 0.00 C ATOM 1515 CD LYS A 94 1.310 -2.849 10.356 1.00 0.00 C ATOM 1516 CE LYS A 94 1.672 -4.195 10.987 1.00 0.00 C ATOM 1517 NZ LYS A 94 2.660 -3.981 12.081 1.00 0.00 N ATOM 0 H LYS A 94 4.762 -3.013 7.476 1.00 0.00 H new ATOM 0 HA LYS A 94 2.361 -3.739 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.793 -3.319 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.911 -4.539 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.266 -2.758 9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.151 -1.537 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.412 -2.051 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.269 -2.855 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.777 -4.677 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.088 -4.862 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.906 -4.896 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.517 -3.539 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.247 -3.359 12.805 1.00 0.00 H new ATOM 1531 N LEU A 95 1.688 -1.048 6.658 1.00 0.00 N ATOM 1532 CA LEU A 95 1.680 0.419 6.408 1.00 0.00 C ATOM 1533 C LEU A 95 1.986 1.154 7.712 1.00 0.00 C ATOM 1534 O LEU A 95 1.405 2.180 8.009 1.00 0.00 O ATOM 1535 CB LEU A 95 0.307 0.843 5.886 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.736 0.667 6.990 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -1.465 1.991 7.218 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -1.743 -0.404 6.569 1.00 0.00 C ATOM 0 H LEU A 95 0.789 -1.450 6.923 1.00 0.00 H new ATOM 0 HA LEU A 95 2.437 0.668 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.335 1.883 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.036 0.244 5.016 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.243 0.361 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.209 1.866 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.747 2.755 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.960 2.297 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.488 -0.532 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.237 -0.097 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.223 -1.348 6.405 1.00 0.00 H new ATOM 1550 N ARG A 96 2.894 0.637 8.493 1.00 0.00 N ATOM 1551 CA ARG A 96 3.239 1.301 9.779 1.00 0.00 C ATOM 1552 C ARG A 96 4.267 2.406 9.525 1.00 0.00 C ATOM 1553 O ARG A 96 4.527 3.230 10.380 1.00 0.00 O ATOM 1554 CB ARG A 96 3.827 0.271 10.745 1.00 0.00 C ATOM 1555 CG ARG A 96 3.957 0.893 12.137 1.00 0.00 C ATOM 1556 CD ARG A 96 3.165 0.059 13.144 1.00 0.00 C ATOM 1557 NE ARG A 96 3.380 0.600 14.516 1.00 0.00 N ATOM 1558 CZ ARG A 96 2.592 0.238 15.491 1.00 0.00 C ATOM 1559 NH1 ARG A 96 2.692 -0.960 15.998 1.00 0.00 N ATOM 1560 NH2 ARG A 96 1.707 1.074 15.959 1.00 0.00 N ATOM 0 H ARG A 96 3.412 -0.219 8.294 1.00 0.00 H new ATOM 0 HA ARG A 96 2.339 1.735 10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.187 -0.610 10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.803 -0.060 10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.006 0.938 12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.586 1.918 12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.104 0.080 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.482 -0.983 13.099 1.00 0.00 H new ATOM 0 HE ARG A 96 4.143 1.253 14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.386 -1.612 15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.077 -1.244 16.760 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.631 2.011 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.091 0.791 16.721 1.00 0.00 H new ATOM 1574 N TYR A 97 4.860 2.430 8.361 1.00 0.00 N ATOM 1575 CA TYR A 97 5.872 3.484 8.069 1.00 0.00 C ATOM 1576 C TYR A 97 5.409 4.340 6.886 1.00 0.00 C ATOM 1577 O TYR A 97 5.798 4.103 5.761 1.00 0.00 O ATOM 1578 CB TYR A 97 7.210 2.826 7.729 1.00 0.00 C ATOM 1579 CG TYR A 97 7.862 2.323 8.996 1.00 0.00 C ATOM 1580 CD1 TYR A 97 7.353 1.192 9.645 1.00 0.00 C ATOM 1581 CD2 TYR A 97 8.976 2.990 9.520 1.00 0.00 C ATOM 1582 CE1 TYR A 97 7.959 0.728 10.821 1.00 0.00 C ATOM 1583 CE2 TYR A 97 9.581 2.527 10.695 1.00 0.00 C ATOM 1584 CZ TYR A 97 9.073 1.396 11.345 1.00 0.00 C ATOM 1585 OH TYR A 97 9.668 0.940 12.503 1.00 0.00 O ATOM 0 H TYR A 97 4.688 1.768 7.604 1.00 0.00 H new ATOM 0 HA TYR A 97 5.989 4.120 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.055 2.000 7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.863 3.542 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.494 0.677 9.240 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.369 3.862 9.018 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.567 -0.144 11.323 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.439 3.042 11.100 1.00 0.00 H new ATOM 0 HH TYR A 97 10.428 1.516 12.729 1.00 0.00 H new ATOM 1595 N PRO A 98 4.594 5.317 7.184 1.00 0.00 N ATOM 1596 CA PRO A 98 4.025 6.278 6.202 1.00 0.00 C ATOM 1597 C PRO A 98 5.018 7.408 5.915 1.00 0.00 C ATOM 1598 O PRO A 98 4.639 8.497 5.535 1.00 0.00 O ATOM 1599 CB PRO A 98 2.772 6.842 6.865 1.00 0.00 C ATOM 1600 CG PRO A 98 2.969 6.659 8.375 1.00 0.00 C ATOM 1601 CD PRO A 98 4.090 5.622 8.551 1.00 0.00 C ATOM 0 HA PRO A 98 3.805 5.794 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.639 7.894 6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.880 6.317 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.238 7.604 8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 98 2.048 6.317 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 98 4.888 6.015 9.181 1.00 0.00 H new ATOM 0 HD3 PRO A 98 3.714 4.722 9.037 1.00 0.00 H new ATOM 1609 N ILE A 99 6.279 7.155 6.092 1.00 0.00 N ATOM 1610 CA ILE A 99 7.299 8.210 5.828 1.00 0.00 C ATOM 1611 C ILE A 99 8.688 7.572 5.772 1.00 0.00 C ATOM 1612 O ILE A 99 8.827 6.366 5.739 1.00 0.00 O ATOM 1613 CB ILE A 99 7.261 9.255 6.946 1.00 0.00 C ATOM 1614 CG1 ILE A 99 6.847 8.586 8.261 1.00 0.00 C ATOM 1615 CG2 ILE A 99 6.248 10.346 6.593 1.00 0.00 C ATOM 1616 CD1 ILE A 99 7.908 7.562 8.668 1.00 0.00 C ATOM 0 H ILE A 99 6.653 6.261 6.409 1.00 0.00 H new ATOM 0 HA ILE A 99 7.081 8.693 4.876 1.00 0.00 H new ATOM 0 HB ILE A 99 8.251 9.698 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.732 9.337 9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.880 8.097 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.222 11.090 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.540 10.825 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.259 9.901 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.614 7.086 9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.001 6.805 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.866 8.064 8.802 1.00 0.00 H new ATOM 1628 N ASN A 100 9.718 8.372 5.768 1.00 0.00 N ATOM 1629 CA ASN A 100 11.097 7.811 5.721 1.00 0.00 C ATOM 1630 C ASN A 100 11.779 8.030 7.074 1.00 0.00 C ATOM 1631 O ASN A 100 11.510 7.333 8.032 1.00 0.00 O ATOM 1632 CB ASN A 100 11.891 8.503 4.609 1.00 0.00 C ATOM 1633 CG ASN A 100 11.554 7.855 3.265 1.00 0.00 C ATOM 1634 OD1 ASN A 100 11.274 8.540 2.300 1.00 0.00 O ATOM 1635 ND2 ASN A 100 11.568 6.554 3.159 1.00 0.00 N ATOM 0 H ASN A 100 9.664 9.390 5.795 1.00 0.00 H new ATOM 0 HA ASN A 100 11.055 6.742 5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.651 9.566 4.583 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.960 8.422 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.344 6.113 2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.803 5.979 3.968 1.00 0.00 H new ATOM 1642 N GLU A 101 12.655 8.990 7.165 1.00 0.00 N ATOM 1643 CA GLU A 101 13.346 9.247 8.460 1.00 0.00 C ATOM 1644 C GLU A 101 14.029 10.615 8.410 1.00 0.00 C ATOM 1645 O GLU A 101 15.228 10.716 8.245 1.00 0.00 O ATOM 1646 CB GLU A 101 14.393 8.158 8.705 1.00 0.00 C ATOM 1647 CG GLU A 101 14.377 7.759 10.182 1.00 0.00 C ATOM 1648 CD GLU A 101 15.635 8.294 10.869 1.00 0.00 C ATOM 1649 OE1 GLU A 101 16.309 9.116 10.270 1.00 0.00 O ATOM 1650 OE2 GLU A 101 15.902 7.874 11.982 1.00 0.00 O ATOM 0 H GLU A 101 12.923 9.608 6.399 1.00 0.00 H new ATOM 0 HA GLU A 101 12.617 9.236 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 101 14.183 7.290 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 101 15.382 8.520 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.487 8.158 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.332 6.674 10.276 1.00 0.00 H new ATOM 1657 N GLU A 102 13.274 11.671 8.549 1.00 0.00 N ATOM 1658 CA GLU A 102 13.881 13.032 8.508 1.00 0.00 C ATOM 1659 C GLU A 102 12.841 14.070 8.933 1.00 0.00 C ATOM 1660 O GLU A 102 13.058 14.840 9.849 1.00 0.00 O ATOM 1661 CB GLU A 102 14.353 13.336 7.085 1.00 0.00 C ATOM 1662 CG GLU A 102 15.394 14.457 7.120 1.00 0.00 C ATOM 1663 CD GLU A 102 16.275 14.375 5.872 1.00 0.00 C ATOM 1664 OE1 GLU A 102 15.831 13.798 4.894 1.00 0.00 O ATOM 1665 OE2 GLU A 102 17.380 14.891 5.917 1.00 0.00 O ATOM 0 H GLU A 102 12.264 11.650 8.689 1.00 0.00 H new ATOM 0 HA GLU A 102 14.731 13.071 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 102 14.782 12.441 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 102 13.506 13.631 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.898 15.427 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 102 16.007 14.370 8.017 1.00 0.00 H new ATOM 1672 N ASN A 103 11.714 14.101 8.276 1.00 0.00 N ATOM 1673 CA ASN A 103 10.664 15.092 8.643 1.00 0.00 C ATOM 1674 C ASN A 103 9.281 14.496 8.373 1.00 0.00 C ATOM 1675 O ASN A 103 9.101 13.294 8.373 1.00 0.00 O ATOM 1676 CB ASN A 103 10.846 16.360 7.807 1.00 0.00 C ATOM 1677 CG ASN A 103 10.447 16.077 6.357 1.00 0.00 C ATOM 1678 OD1 ASN A 103 9.544 16.697 5.831 1.00 0.00 O ATOM 1679 ND2 ASN A 103 11.088 15.162 5.684 1.00 0.00 N ATOM 0 H ASN A 103 11.475 13.483 7.501 1.00 0.00 H new ATOM 0 HA ASN A 103 10.751 15.339 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 103 10.235 17.167 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.883 16.692 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.831 14.967 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.846 14.641 6.125 1.00 0.00 H new ATOM 1686 N SER A 104 8.300 15.327 8.143 1.00 0.00 N ATOM 1687 CA SER A 104 6.929 14.807 7.873 1.00 0.00 C ATOM 1688 C SER A 104 6.575 15.038 6.402 1.00 0.00 C ATOM 1689 O SER A 104 7.152 15.878 5.739 1.00 0.00 O ATOM 1690 CB SER A 104 5.924 15.540 8.761 1.00 0.00 C ATOM 1691 OG SER A 104 5.822 16.893 8.336 1.00 0.00 O ATOM 0 H SER A 104 8.389 16.343 8.130 1.00 0.00 H new ATOM 0 HA SER A 104 6.896 13.739 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.950 15.055 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.242 15.497 9.803 1.00 0.00 H new ATOM 0 HG SER A 104 5.177 17.366 8.902 1.00 0.00 H new ATOM 1697 N SER A 105 5.631 14.299 5.885 1.00 0.00 N ATOM 1698 CA SER A 105 5.242 14.480 4.458 1.00 0.00 C ATOM 1699 C SER A 105 4.155 15.550 4.357 1.00 0.00 C ATOM 1700 O SER A 105 4.190 16.314 3.407 1.00 0.00 O ATOM 1701 CB SER A 105 4.709 13.157 3.904 1.00 0.00 C ATOM 1702 OG SER A 105 3.390 12.943 4.389 1.00 0.00 O ATOM 1703 OXT SER A 105 3.304 15.588 5.232 1.00 0.00 O ATOM 0 H SER A 105 5.113 13.579 6.389 1.00 0.00 H new ATOM 0 HA SER A 105 6.112 14.792 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.709 13.179 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.358 12.335 4.206 1.00 0.00 H new ATOM 0 HG SER A 105 3.044 12.097 4.035 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 11.746 -11.261 -10.331 1.00 0.00 N ATOM 1711 CA ASP B 1 10.259 -11.342 -10.372 1.00 0.00 C ATOM 1712 C ASP B 1 9.691 -10.999 -8.993 1.00 0.00 C ATOM 1713 O ASP B 1 9.602 -11.840 -8.122 1.00 0.00 O ATOM 1714 CB ASP B 1 9.833 -12.760 -10.757 1.00 0.00 C ATOM 1715 CG ASP B 1 9.310 -12.766 -12.194 1.00 0.00 C ATOM 1716 OD1 ASP B 1 9.669 -11.867 -12.938 1.00 0.00 O ATOM 1717 OD2 ASP B 1 8.559 -13.667 -12.527 1.00 0.00 O ATOM 0 H1 ASP B 1 12.132 -11.494 -11.268 1.00 0.00 H new ATOM 0 H2 ASP B 1 12.034 -10.297 -10.068 1.00 0.00 H new ATOM 0 H3 ASP B 1 12.111 -11.935 -9.629 1.00 0.00 H new ATOM 0 HA ASP B 1 9.879 -10.635 -11.110 1.00 0.00 H new ATOM 0 HB2 ASP B 1 10.678 -13.442 -10.664 1.00 0.00 H new ATOM 0 HB3 ASP B 1 9.060 -13.116 -10.076 1.00 0.00 H new ATOM 1724 N ASN B 2 9.305 -9.770 -8.786 1.00 0.00 N ATOM 1725 CA ASN B 2 8.743 -9.380 -7.463 1.00 0.00 C ATOM 1726 C ASN B 2 8.285 -7.921 -7.510 1.00 0.00 C ATOM 1727 O ASN B 2 9.008 -7.022 -7.131 1.00 0.00 O ATOM 1728 CB ASN B 2 9.819 -9.543 -6.385 1.00 0.00 C ATOM 1729 CG ASN B 2 9.183 -9.403 -5.001 1.00 0.00 C ATOM 1730 OD1 ASN B 2 7.976 -9.411 -4.869 1.00 0.00 O ATOM 1731 ND2 ASN B 2 9.954 -9.276 -3.955 1.00 0.00 N ATOM 0 H ASN B 2 9.355 -9.020 -9.475 1.00 0.00 H new ATOM 0 HA ASN B 2 7.892 -10.019 -7.228 1.00 0.00 H new ATOM 0 HB2 ASN B 2 10.298 -10.517 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN B 2 10.597 -8.791 -6.517 1.00 0.00 H new ATOM 0 HD21 ASN B 2 9.542 -9.183 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN B 2 10.968 -9.269 -4.067 1.00 0.00 H new ATOM 1738 N ASP B 3 7.088 -7.680 -7.972 1.00 0.00 N ATOM 1739 CA ASP B 3 6.589 -6.277 -8.039 1.00 0.00 C ATOM 1740 C ASP B 3 5.096 -6.252 -7.725 1.00 0.00 C ATOM 1741 O ASP B 3 4.357 -5.451 -8.253 1.00 0.00 O ATOM 1742 CB ASP B 3 6.832 -5.712 -9.441 1.00 0.00 C ATOM 1743 CG ASP B 3 7.266 -4.248 -9.335 1.00 0.00 C ATOM 1744 OD1 ASP B 3 7.053 -3.662 -8.286 1.00 0.00 O ATOM 1745 OD2 ASP B 3 7.802 -3.739 -10.305 1.00 0.00 O ATOM 0 H ASP B 3 6.436 -8.391 -8.305 1.00 0.00 H new ATOM 0 HA ASP B 3 7.121 -5.667 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP B 3 7.600 -6.294 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP B 3 5.924 -5.790 -10.038 1.00 0.00 H new HETATM 1750 N PTR B 4 4.671 -7.121 -6.852 1.00 0.00 N HETATM 1751 CA PTR B 4 3.227 -7.182 -6.454 1.00 0.00 C HETATM 1752 C PTR B 4 3.025 -8.380 -5.518 1.00 0.00 C HETATM 1753 O PTR B 4 3.518 -9.463 -5.767 1.00 0.00 O HETATM 1754 CB PTR B 4 2.335 -7.365 -7.689 1.00 0.00 C HETATM 1755 CG PTR B 4 1.826 -6.026 -8.183 1.00 0.00 C HETATM 1756 CD1 PTR B 4 1.448 -5.026 -7.275 1.00 0.00 C HETATM 1757 CD2 PTR B 4 1.740 -5.786 -9.560 1.00 0.00 C HETATM 1758 CE1 PTR B 4 0.986 -3.790 -7.749 1.00 0.00 C HETATM 1759 CE2 PTR B 4 1.276 -4.551 -10.031 1.00 0.00 C HETATM 1760 CZ PTR B 4 0.899 -3.554 -9.125 1.00 0.00 C HETATM 1761 OH PTR B 4 0.423 -2.284 -9.610 1.00 0.00 O HETATM 1762 P PTR B 4 -1.084 -2.143 -10.217 1.00 0.00 P HETATM 1763 O1P PTR B 4 -1.046 -2.817 -11.579 1.00 0.00 O HETATM 1764 O2P PTR B 4 -1.996 -2.856 -9.232 1.00 0.00 O HETATM 1765 O3P PTR B 4 -1.358 -0.652 -10.303 1.00 0.00 O HETATM 0 HE2 PTR B 4 1.209 -4.367 -11.103 1.00 0.00 H new HETATM 0 HE1 PTR B 4 0.694 -3.012 -7.044 1.00 0.00 H new HETATM 0 HD2 PTR B 4 2.035 -6.562 -10.267 1.00 0.00 H new HETATM 0 HD1 PTR B 4 1.513 -5.209 -6.203 1.00 0.00 H new HETATM 0 HB3 PTR B 4 2.898 -7.861 -8.480 1.00 0.00 H new HETATM 0 HB2 PTR B 4 1.493 -8.012 -7.443 1.00 0.00 H new HETATM 0 HA PTR B 4 2.956 -6.251 -5.956 1.00 0.00 H new HETATM 0 H PTR B 4 5.327 -7.817 -6.498 1.00 0.00 H new ATOM 1774 N ILE B 5 2.313 -8.197 -4.439 1.00 0.00 N ATOM 1775 CA ILE B 5 2.092 -9.313 -3.488 1.00 0.00 C ATOM 1776 C ILE B 5 0.703 -9.179 -2.846 1.00 0.00 C ATOM 1777 O ILE B 5 0.364 -8.156 -2.284 1.00 0.00 O ATOM 1778 CB ILE B 5 3.198 -9.285 -2.418 1.00 0.00 C ATOM 1779 CG1 ILE B 5 2.768 -8.478 -1.183 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.466 -8.656 -2.999 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.653 -6.996 -1.545 1.00 0.00 C ATOM 0 H ILE B 5 1.874 -7.314 -4.178 1.00 0.00 H new ATOM 0 HA ILE B 5 2.133 -10.267 -4.013 1.00 0.00 H new ATOM 0 HB ILE B 5 3.388 -10.314 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.812 -8.846 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.494 -8.610 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.245 -8.639 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE B 5 4.805 -9.243 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.252 -7.637 -3.322 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.348 -6.429 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.619 -6.631 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE B 5 1.910 -6.871 -2.333 1.00 0.00 H new ATOM 1793 N ILE B 6 -0.103 -10.205 -2.911 1.00 0.00 N ATOM 1794 CA ILE B 6 -1.448 -10.111 -2.280 1.00 0.00 C ATOM 1795 C ILE B 6 -1.238 -9.811 -0.798 1.00 0.00 C ATOM 1796 O ILE B 6 -0.399 -10.417 -0.168 1.00 0.00 O ATOM 1797 CB ILE B 6 -2.196 -11.435 -2.442 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -2.434 -11.706 -3.929 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -3.542 -11.349 -1.719 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -2.180 -13.185 -4.228 1.00 0.00 C ATOM 0 H ILE B 6 0.109 -11.092 -3.368 1.00 0.00 H new ATOM 0 HA ILE B 6 -2.039 -9.327 -2.752 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.603 -12.244 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.456 -11.440 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -1.773 -11.084 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -4.077 -12.292 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -3.374 -11.153 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -4.135 -10.541 -2.148 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.350 -13.376 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.150 -13.436 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.859 -13.798 -3.635 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.988 -8.873 -0.290 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.913 -8.416 1.123 1.00 0.00 C ATOM 1814 C PRO B 7 -2.522 -9.456 2.063 1.00 0.00 C ATOM 1815 O PRO B 7 -3.718 -9.505 2.269 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.693 -7.107 1.176 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.648 -7.134 -0.019 1.00 0.00 C ATOM 1818 CD PRO B 7 -3.043 -8.122 -1.027 1.00 0.00 C ATOM 0 HA PRO B 7 -0.881 -8.277 1.446 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.243 -7.019 2.113 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.021 -6.250 1.119 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.645 -7.451 0.286 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.750 -6.142 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.805 -8.799 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.620 -7.595 -1.883 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.696 -10.282 2.644 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.202 -11.318 3.585 1.00 0.00 C ATOM 1828 C LEU B 8 -1.388 -11.245 4.881 1.00 0.00 C ATOM 1829 O LEU B 8 -0.175 -11.191 4.845 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.041 -12.703 2.954 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.407 -13.223 2.503 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -3.869 -12.449 1.268 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -3.298 -14.710 2.157 1.00 0.00 C ATOM 0 H LEU B 8 -0.685 -10.283 2.506 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.256 -11.144 3.800 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.362 -12.649 2.103 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.597 -13.392 3.673 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.129 -13.086 3.308 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -4.842 -12.821 0.948 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -3.948 -11.389 1.511 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.147 -12.584 0.463 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -4.271 -15.081 1.836 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.575 -14.844 1.353 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.970 -15.265 3.036 1.00 0.00 H new ATOM 1845 N PRO B 9 -2.082 -11.236 5.989 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.491 -11.159 7.352 1.00 0.00 C ATOM 1847 C PRO B 9 -0.939 -12.525 7.771 1.00 0.00 C ATOM 1848 O PRO B 9 -1.340 -13.551 7.255 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.635 -10.728 8.268 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.929 -11.122 7.551 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.569 -11.305 6.071 1.00 0.00 C ATOM 0 HA PRO B 9 -0.658 -10.458 7.398 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.563 -11.219 9.238 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.603 -9.654 8.451 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.338 -12.042 7.967 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.690 -10.351 7.673 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.935 -12.261 5.698 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -4.028 -10.528 5.460 1.00 0.00 H new ATOM 1859 N ASP B 10 -0.016 -12.544 8.697 1.00 0.00 N ATOM 1860 CA ASP B 10 0.571 -13.841 9.143 1.00 0.00 C ATOM 1861 C ASP B 10 -0.552 -14.837 9.447 1.00 0.00 C ATOM 1862 O ASP B 10 -0.591 -15.915 8.890 1.00 0.00 O ATOM 1863 CB ASP B 10 1.415 -13.619 10.401 1.00 0.00 C ATOM 1864 CG ASP B 10 2.901 -13.700 10.043 1.00 0.00 C ATOM 1865 OD1 ASP B 10 3.402 -14.806 9.924 1.00 0.00 O ATOM 1866 OD2 ASP B 10 3.511 -12.655 9.891 1.00 0.00 O ATOM 0 H ASP B 10 0.356 -11.717 9.163 1.00 0.00 H new ATOM 0 HA ASP B 10 1.203 -14.241 8.350 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.188 -12.646 10.836 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.170 -14.370 11.153 1.00 0.00 H new ATOM 1871 N PRO B 11 -1.438 -14.435 10.320 1.00 0.00 N ATOM 1872 CA PRO B 11 -2.614 -15.232 10.759 1.00 0.00 C ATOM 1873 C PRO B 11 -3.705 -15.192 9.685 1.00 0.00 C ATOM 1874 O PRO B 11 -3.983 -14.159 9.107 1.00 0.00 O ATOM 1875 CB PRO B 11 -3.107 -14.567 12.041 1.00 0.00 C ATOM 1876 CG PRO B 11 -2.598 -13.125 11.992 1.00 0.00 C ATOM 1877 CD PRO B 11 -1.414 -13.117 11.015 1.00 0.00 C ATOM 0 HA PRO B 11 -2.358 -16.279 10.923 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -4.195 -14.595 12.101 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -2.726 -15.085 12.921 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -3.383 -12.447 11.657 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -2.288 -12.789 12.981 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -1.505 -12.299 10.301 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -0.473 -12.974 11.546 1.00 0.00 H new ATOM 1885 N LYS B 12 -4.325 -16.307 9.413 1.00 0.00 N ATOM 1886 CA LYS B 12 -5.395 -16.329 8.377 1.00 0.00 C ATOM 1887 C LYS B 12 -6.728 -15.925 9.012 1.00 0.00 C ATOM 1888 O LYS B 12 -7.295 -14.938 8.573 1.00 0.00 O ATOM 1889 CB LYS B 12 -5.514 -17.740 7.796 1.00 0.00 C ATOM 1890 CG LYS B 12 -5.235 -17.699 6.293 1.00 0.00 C ATOM 1891 CD LYS B 12 -6.352 -18.428 5.546 1.00 0.00 C ATOM 1892 CE LYS B 12 -6.163 -19.939 5.692 1.00 0.00 C ATOM 1893 NZ LYS B 12 -6.166 -20.572 4.343 1.00 0.00 N ATOM 1894 OXT LYS B 12 -7.158 -16.610 9.925 1.00 0.00 O ATOM 0 H LYS B 12 -4.137 -17.203 9.863 1.00 0.00 H new ATOM 0 HA LYS B 12 -5.144 -15.628 7.581 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -4.808 -18.408 8.289 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -6.512 -18.138 7.981 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -5.170 -16.666 5.953 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -4.274 -18.167 6.078 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.323 -18.132 5.944 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -6.341 -18.150 4.492 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -5.224 -20.151 6.203 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.961 -20.359 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.038 -21.599 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -7.073 -20.380 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -5.390 -20.179 3.773 1.00 0.00 H new TER 1908 LYS B 12