USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot -56:sc= 1.36 USER MOD Set 1.2: A 125 THR OG1 : rot -171:sc= 0.948 USER MOD Set 1.3: A 126 ASN : amide:sc= -2.41! C(o=-0.11!,f=-3.3!) USER MOD Set 2.1: A 95 THR OG1 : rot -62:sc= 1.24 USER MOD Set 2.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 69 ASN : amide:sc= -10.2! C(o=-19!,f=-25!) USER MOD Set 3.2: A 74 HIS : no HD1:sc= -5.92! C(o=-19!,f=-29!) USER MOD Set 3.3: A 97 GLN :FLIP amide:sc= -3.25! C(o=-25!,f=-19!) USER MOD Set 4.1: A 8 HIS : no HD1:sc= -2.32! X(o=-2.3!,f=-2.7) USER MOD Set 4.2: A 34 THR OG1 : rot 52:sc= 0.0145 USER MOD Set 5.1: A 5 LYS NZ :NH3+ -136:sc= 1.09 (180deg=0) USER MOD Set 5.2: A 13 GLN : amide:sc= 0.594 K(o=1.7,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -141:sc= -0.296 (180deg=-1.39!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000525 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -2.13! C(o=-4.7!,f=-2.1!) USER MOD Single : A 40 THR OG1 : rot 103:sc= -0.121 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0927 USER MOD Single : A 46 ASN : amide:sc= -0.739! C(o=-0.74!,f=-5.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 54 SER OG : rot 180:sc= 0.187 USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= 0.195 (180deg=-0.0333) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00643) USER MOD Single : A 65 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.085) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.118 F(o=-1.7!,f=-0.12) USER MOD Single : A 73 TYR OH : rot 75:sc= -1.36 USER MOD Single : A 76 THR OG1 : rot -179:sc= -6.62! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.9!) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -0.17 (180deg=-0.97) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0443 K(o=-0.044,f=-1.5!) USER MOD Single : A 109 THR OG1 : rot 73:sc= 0.0327 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.35 F(o=-4.5!,f=-1.3) USER MOD Single : A 116 LYS NZ :NH3+ 152:sc= -0.242 (180deg=-1.24!) USER MOD Single : A 117 SER OG : rot 140:sc= -0.641 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -120:sc= -1.52! USER MOD Single : A 123 MET CE :methyl 165:sc= -0.286 (180deg=-0.719) USER MOD Single : A 124 THR OG1 : rot -132:sc= -2.73! USER MOD Single : A 130 HIS :FLIP no HD1:sc= -10.1! C(o=-11!,f=-10!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -14.400 11.015 1.956 1.00 0.00 N ATOM 51 CA LYS A 5 -14.178 9.877 1.074 1.00 0.00 C ATOM 52 C LYS A 5 -13.474 8.747 1.819 1.00 0.00 C ATOM 53 O LYS A 5 -12.563 8.986 2.612 1.00 0.00 O ATOM 54 CB LYS A 5 -13.323 10.299 -0.123 1.00 0.00 C ATOM 55 CG LYS A 5 -14.221 10.683 -1.306 1.00 0.00 C ATOM 56 CD LYS A 5 -13.349 11.022 -2.517 1.00 0.00 C ATOM 57 CE LYS A 5 -12.472 12.239 -2.203 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.185 12.984 -3.462 1.00 0.00 N ATOM 0 HA LYS A 5 -15.148 9.523 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.691 11.143 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.659 9.484 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.894 9.861 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.844 11.538 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.723 10.168 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.978 11.230 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.977 12.890 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.540 11.918 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.180 13.249 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.405 12.381 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.770 13.843 -3.498 1.00 0.00 H new ATOM 72 N SER A 6 -13.899 7.518 1.553 1.00 0.00 N ATOM 73 CA SER A 6 -13.301 6.355 2.196 1.00 0.00 C ATOM 74 C SER A 6 -12.200 5.775 1.324 1.00 0.00 C ATOM 75 O SER A 6 -11.869 6.331 0.277 1.00 0.00 O ATOM 76 CB SER A 6 -14.370 5.292 2.452 1.00 0.00 C ATOM 77 OG SER A 6 -15.020 5.567 3.686 1.00 0.00 O ATOM 0 H SER A 6 -14.652 7.301 0.900 1.00 0.00 H new ATOM 0 HA SER A 6 -12.869 6.668 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.096 5.286 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.915 4.302 2.480 1.00 0.00 H new ATOM 0 HG SER A 6 -14.355 5.608 4.404 1.00 0.00 H new ATOM 83 N LEU A 7 -11.628 4.663 1.767 1.00 0.00 N ATOM 84 CA LEU A 7 -10.553 4.024 1.023 1.00 0.00 C ATOM 85 C LEU A 7 -10.990 3.711 -0.402 1.00 0.00 C ATOM 86 O LEU A 7 -10.458 4.269 -1.358 1.00 0.00 O ATOM 87 CB LEU A 7 -10.153 2.725 1.723 1.00 0.00 C ATOM 88 CG LEU A 7 -8.665 2.762 2.077 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.288 1.502 2.863 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.839 2.818 0.792 1.00 0.00 C ATOM 0 H LEU A 7 -11.889 4.188 2.631 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.705 4.708 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.748 2.590 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.361 1.873 1.075 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.462 3.643 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.227 1.533 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.876 1.456 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.492 0.620 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.778 2.844 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.047 1.936 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.102 3.714 0.229 1.00 0.00 H new ATOM 102 N HIS A 8 -11.972 2.829 -0.537 1.00 0.00 N ATOM 103 CA HIS A 8 -12.469 2.453 -1.857 1.00 0.00 C ATOM 104 C HIS A 8 -12.890 3.684 -2.643 1.00 0.00 C ATOM 105 O HIS A 8 -12.547 3.829 -3.815 1.00 0.00 O ATOM 106 CB HIS A 8 -13.660 1.512 -1.719 1.00 0.00 C ATOM 107 CG HIS A 8 -14.582 2.031 -0.654 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.666 2.845 -0.944 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.591 1.863 0.708 1.00 0.00 C ATOM 110 CE1 HIS A 8 -16.278 3.136 0.220 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.662 2.561 1.258 1.00 0.00 N ATOM 0 H HIS A 8 -12.437 2.364 0.242 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.665 1.949 -2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.189 1.435 -2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.318 0.509 -1.463 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.876 1.278 1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -17.158 3.757 0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.922 2.621 2.243 1.00 0.00 H new ATOM 120 N GLU A 9 -13.635 4.565 -1.993 1.00 0.00 N ATOM 121 CA GLU A 9 -14.096 5.780 -2.647 1.00 0.00 C ATOM 122 C GLU A 9 -12.926 6.478 -3.332 1.00 0.00 C ATOM 123 O GLU A 9 -12.993 6.812 -4.515 1.00 0.00 O ATOM 124 CB GLU A 9 -14.730 6.718 -1.619 1.00 0.00 C ATOM 125 CG GLU A 9 -16.176 7.025 -2.020 1.00 0.00 C ATOM 126 CD GLU A 9 -16.211 7.721 -3.377 1.00 0.00 C ATOM 127 OE1 GLU A 9 -15.254 8.408 -3.694 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.193 7.553 -4.082 1.00 0.00 O ATOM 0 H GLU A 9 -13.931 4.463 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.842 5.517 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.707 6.259 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.157 7.643 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.753 6.101 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.643 7.659 -1.266 1.00 0.00 H new ATOM 135 N LYS A 10 -11.853 6.693 -2.580 1.00 0.00 N ATOM 136 CA LYS A 10 -10.672 7.348 -3.126 1.00 0.00 C ATOM 137 C LYS A 10 -10.149 6.597 -4.345 1.00 0.00 C ATOM 138 O LYS A 10 -10.005 7.175 -5.420 1.00 0.00 O ATOM 139 CB LYS A 10 -9.571 7.418 -2.068 1.00 0.00 C ATOM 140 CG LYS A 10 -8.440 8.320 -2.569 1.00 0.00 C ATOM 141 CD LYS A 10 -8.405 9.599 -1.733 1.00 0.00 C ATOM 142 CE LYS A 10 -7.259 10.494 -2.208 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.815 11.782 -2.711 1.00 0.00 N ATOM 0 H LYS A 10 -11.777 6.426 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.956 8.356 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.974 7.807 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.189 6.419 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.485 7.799 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.592 8.563 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.354 10.129 -1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.274 9.353 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.564 10.680 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.696 9.995 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.038 12.393 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.462 11.595 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.334 12.258 -1.946 1.00 0.00 H new ATOM 157 N LEU A 11 -9.858 5.310 -4.171 1.00 0.00 N ATOM 158 CA LEU A 11 -9.341 4.506 -5.278 1.00 0.00 C ATOM 159 C LEU A 11 -10.295 4.550 -6.468 1.00 0.00 C ATOM 160 O LEU A 11 -9.865 4.541 -7.621 1.00 0.00 O ATOM 161 CB LEU A 11 -9.143 3.051 -4.839 1.00 0.00 C ATOM 162 CG LEU A 11 -8.357 3.013 -3.530 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.147 1.562 -3.093 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.001 3.691 -3.725 1.00 0.00 C ATOM 0 H LEU A 11 -9.968 4.807 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.380 4.925 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.110 2.565 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.610 2.497 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.919 3.542 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.586 1.541 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.115 1.083 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.591 1.027 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.442 3.663 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.440 3.167 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.152 4.728 -4.026 1.00 0.00 H new ATOM 176 N LYS A 12 -11.591 4.593 -6.182 1.00 0.00 N ATOM 177 CA LYS A 12 -12.596 4.631 -7.237 1.00 0.00 C ATOM 178 C LYS A 12 -12.546 5.958 -7.988 1.00 0.00 C ATOM 179 O LYS A 12 -12.757 6.005 -9.200 1.00 0.00 O ATOM 180 CB LYS A 12 -13.987 4.432 -6.634 1.00 0.00 C ATOM 181 CG LYS A 12 -14.223 2.942 -6.383 1.00 0.00 C ATOM 182 CD LYS A 12 -15.505 2.759 -5.568 1.00 0.00 C ATOM 183 CE LYS A 12 -16.303 1.580 -6.128 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.641 1.839 -7.556 1.00 0.00 N ATOM 0 H LYS A 12 -11.969 4.602 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.385 3.827 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.074 4.988 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.748 4.823 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.303 2.411 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.375 2.514 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.260 2.581 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.105 3.668 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.723 0.661 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.215 1.437 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.605 1.502 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.586 2.860 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.968 1.336 -8.169 1.00 0.00 H new ATOM 198 N GLN A 13 -12.266 7.033 -7.262 1.00 0.00 N ATOM 199 CA GLN A 13 -12.194 8.356 -7.872 1.00 0.00 C ATOM 200 C GLN A 13 -10.807 8.602 -8.468 1.00 0.00 C ATOM 201 O GLN A 13 -10.637 9.468 -9.325 1.00 0.00 O ATOM 202 CB GLN A 13 -12.509 9.430 -6.823 1.00 0.00 C ATOM 203 CG GLN A 13 -13.145 10.652 -7.495 1.00 0.00 C ATOM 204 CD GLN A 13 -13.533 11.684 -6.440 1.00 0.00 C ATOM 205 OE1 GLN A 13 -12.676 12.408 -5.934 1.00 0.00 O ATOM 206 NE2 GLN A 13 -14.782 11.796 -6.077 1.00 0.00 N ATOM 0 H GLN A 13 -12.086 7.017 -6.258 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.929 8.408 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.186 9.026 -6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.595 9.724 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.445 11.092 -8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.026 10.349 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.491 11.195 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.049 12.484 -5.373 1.00 0.00 H new ATOM 215 N ASP A 14 -9.818 7.834 -8.011 1.00 0.00 N ATOM 216 CA ASP A 14 -8.451 7.984 -8.515 1.00 0.00 C ATOM 217 C ASP A 14 -8.249 7.190 -9.807 1.00 0.00 C ATOM 218 O ASP A 14 -8.186 5.958 -9.798 1.00 0.00 O ATOM 219 CB ASP A 14 -7.445 7.509 -7.465 1.00 0.00 C ATOM 220 CG ASP A 14 -6.485 8.641 -7.115 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.261 8.858 -5.936 1.00 0.00 O ATOM 222 OD2 ASP A 14 -5.989 9.274 -8.032 1.00 0.00 O ATOM 0 H ASP A 14 -9.934 7.110 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.288 9.041 -8.726 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.970 7.177 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.888 6.652 -7.844 1.00 0.00 H new ATOM 227 N LYS A 15 -8.139 7.909 -10.919 1.00 0.00 N ATOM 228 CA LYS A 15 -7.937 7.271 -12.215 1.00 0.00 C ATOM 229 C LYS A 15 -6.602 6.528 -12.243 1.00 0.00 C ATOM 230 O LYS A 15 -6.379 5.664 -13.090 1.00 0.00 O ATOM 231 CB LYS A 15 -7.965 8.323 -13.325 1.00 0.00 C ATOM 232 CG LYS A 15 -8.600 7.726 -14.585 1.00 0.00 C ATOM 233 CD LYS A 15 -10.116 7.934 -14.547 1.00 0.00 C ATOM 234 CE LYS A 15 -10.785 7.032 -15.586 1.00 0.00 C ATOM 235 NZ LYS A 15 -11.203 5.756 -14.940 1.00 0.00 N ATOM 0 H LYS A 15 -8.186 8.927 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.742 6.554 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.531 9.195 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.953 8.664 -13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.181 8.198 -15.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.371 6.662 -14.650 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.499 7.706 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.355 8.978 -14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.651 7.535 -16.016 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.095 6.829 -16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.658 5.142 -15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.368 5.275 -14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.875 5.959 -14.173 1.00 0.00 H new ATOM 249 N ARG A 16 -5.725 6.869 -11.302 1.00 0.00 N ATOM 250 CA ARG A 16 -4.415 6.229 -11.212 1.00 0.00 C ATOM 251 C ARG A 16 -4.539 4.869 -10.538 1.00 0.00 C ATOM 252 O ARG A 16 -3.937 3.889 -10.974 1.00 0.00 O ATOM 253 CB ARG A 16 -3.465 7.119 -10.411 1.00 0.00 C ATOM 254 CG ARG A 16 -3.328 8.475 -11.122 1.00 0.00 C ATOM 255 CD ARG A 16 -1.912 9.030 -10.956 1.00 0.00 C ATOM 256 NE ARG A 16 -1.728 10.183 -11.831 1.00 0.00 N ATOM 257 CZ ARG A 16 -1.589 10.030 -13.146 1.00 0.00 C ATOM 258 NH1 ARG A 16 -1.607 8.835 -13.669 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.440 11.075 -13.915 1.00 0.00 N ATOM 0 H ARG A 16 -5.897 7.582 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.019 6.087 -12.217 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.846 7.261 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.489 6.642 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.558 8.361 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.051 9.181 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.744 9.319 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.179 8.260 -11.195 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.706 11.120 -11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.728 8.018 -13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.501 8.718 -14.677 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.430 12.010 -13.508 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.334 10.956 -14.922 1.00 0.00 H new ATOM 273 N PHE A 17 -5.328 4.824 -9.474 1.00 0.00 N ATOM 274 CA PHE A 17 -5.535 3.579 -8.739 1.00 0.00 C ATOM 275 C PHE A 17 -6.768 2.838 -9.252 1.00 0.00 C ATOM 276 O PHE A 17 -7.152 1.804 -8.708 1.00 0.00 O ATOM 277 CB PHE A 17 -5.684 3.871 -7.245 1.00 0.00 C ATOM 278 CG PHE A 17 -4.712 4.956 -6.827 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.403 4.982 -7.339 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.121 5.933 -5.912 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.512 5.985 -6.932 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.230 6.935 -5.508 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.926 6.961 -6.019 1.00 0.00 C ATOM 0 H PHE A 17 -5.833 5.628 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.664 2.942 -8.896 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.705 4.184 -7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.499 2.964 -6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.084 4.230 -8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.126 5.914 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.506 6.004 -7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.548 7.688 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.240 7.735 -5.708 1.00 0.00 H new ATOM 293 N SER A 18 -7.377 3.359 -10.306 1.00 0.00 N ATOM 294 CA SER A 18 -8.549 2.711 -10.885 1.00 0.00 C ATOM 295 C SER A 18 -8.239 1.244 -11.194 1.00 0.00 C ATOM 296 O SER A 18 -9.050 0.343 -10.939 1.00 0.00 O ATOM 297 CB SER A 18 -8.945 3.425 -12.179 1.00 0.00 C ATOM 298 OG SER A 18 -9.787 2.576 -12.945 1.00 0.00 O ATOM 0 H SER A 18 -7.086 4.217 -10.775 1.00 0.00 H new ATOM 0 HA SER A 18 -9.370 2.763 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.461 4.357 -11.950 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.055 3.686 -12.751 1.00 0.00 H new ATOM 0 HG SER A 18 -10.044 3.031 -13.774 1.00 0.00 H new ATOM 304 N THR A 19 -7.054 1.008 -11.748 1.00 0.00 N ATOM 305 CA THR A 19 -6.647 -0.348 -12.094 1.00 0.00 C ATOM 306 C THR A 19 -6.622 -1.229 -10.859 1.00 0.00 C ATOM 307 O THR A 19 -7.055 -2.381 -10.897 1.00 0.00 O ATOM 308 CB THR A 19 -5.251 -0.344 -12.722 1.00 0.00 C ATOM 309 OG1 THR A 19 -5.176 0.669 -13.715 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.981 -1.711 -13.357 1.00 0.00 C ATOM 0 H THR A 19 -6.366 1.729 -11.965 1.00 0.00 H new ATOM 0 HA THR A 19 -7.370 -0.741 -12.808 1.00 0.00 H new ATOM 0 HB THR A 19 -4.505 -0.145 -11.953 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.281 0.670 -14.114 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.988 -1.714 -13.806 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.035 -2.485 -12.591 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.727 -1.909 -14.126 1.00 0.00 H new ATOM 318 N PHE A 20 -6.093 -0.687 -9.772 1.00 0.00 N ATOM 319 CA PHE A 20 -5.993 -1.436 -8.532 1.00 0.00 C ATOM 320 C PHE A 20 -7.370 -1.874 -8.082 1.00 0.00 C ATOM 321 O PHE A 20 -7.558 -3.002 -7.632 1.00 0.00 O ATOM 322 CB PHE A 20 -5.337 -0.586 -7.448 1.00 0.00 C ATOM 323 CG PHE A 20 -3.833 -0.610 -7.609 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.027 -0.428 -6.482 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.235 -0.799 -8.872 1.00 0.00 C ATOM 326 CE1 PHE A 20 -1.635 -0.435 -6.612 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.847 -0.805 -8.992 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.049 -0.622 -7.867 1.00 0.00 C ATOM 0 H PHE A 20 -5.728 0.264 -9.725 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.376 -2.317 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.701 0.440 -7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.611 -0.963 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.479 -0.282 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.853 -0.939 -9.746 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.012 -0.296 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.390 -0.952 -9.959 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.027 -0.624 -7.964 1.00 0.00 H new ATOM 338 N LEU A 21 -8.332 -0.979 -8.226 1.00 0.00 N ATOM 339 CA LEU A 21 -9.694 -1.292 -7.842 1.00 0.00 C ATOM 340 C LEU A 21 -10.196 -2.466 -8.671 1.00 0.00 C ATOM 341 O LEU A 21 -10.888 -3.338 -8.160 1.00 0.00 O ATOM 342 CB LEU A 21 -10.599 -0.066 -8.054 1.00 0.00 C ATOM 343 CG LEU A 21 -11.742 -0.037 -7.023 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.542 -1.337 -7.089 1.00 0.00 C ATOM 345 CD2 LEU A 21 -11.185 0.123 -5.606 1.00 0.00 C ATOM 0 H LEU A 21 -8.196 -0.041 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.718 -1.561 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.007 0.846 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.014 -0.086 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.387 0.810 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.348 -1.306 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.964 -1.454 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.886 -2.180 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.008 0.141 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.525 -0.714 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.625 1.056 -5.538 1.00 0.00 H new ATOM 357 N SER A 22 -9.827 -2.483 -9.953 1.00 0.00 N ATOM 358 CA SER A 22 -10.253 -3.565 -10.852 1.00 0.00 C ATOM 359 C SER A 22 -9.660 -4.916 -10.435 1.00 0.00 C ATOM 360 O SER A 22 -10.391 -5.869 -10.169 1.00 0.00 O ATOM 361 CB SER A 22 -9.835 -3.254 -12.297 1.00 0.00 C ATOM 362 OG SER A 22 -10.433 -4.203 -13.174 1.00 0.00 O ATOM 0 H SER A 22 -9.242 -1.771 -10.391 1.00 0.00 H new ATOM 0 HA SER A 22 -11.339 -3.631 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.145 -2.245 -12.568 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.750 -3.290 -12.390 1.00 0.00 H new ATOM 0 HG SER A 22 -10.170 -4.006 -14.097 1.00 0.00 H new ATOM 368 N LEU A 23 -8.336 -4.997 -10.395 1.00 0.00 N ATOM 369 CA LEU A 23 -7.657 -6.243 -10.031 1.00 0.00 C ATOM 370 C LEU A 23 -7.915 -6.637 -8.572 1.00 0.00 C ATOM 371 O LEU A 23 -8.174 -7.807 -8.277 1.00 0.00 O ATOM 372 CB LEU A 23 -6.149 -6.111 -10.268 1.00 0.00 C ATOM 373 CG LEU A 23 -5.602 -4.908 -9.483 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.992 -5.371 -8.151 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.510 -4.198 -10.297 1.00 0.00 C ATOM 0 H LEU A 23 -7.710 -4.221 -10.608 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.065 -7.030 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.641 -7.023 -9.954 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.948 -5.984 -11.332 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.429 -4.224 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.609 -4.508 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.757 -5.867 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.177 -6.067 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.130 -3.347 -9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.695 -4.894 -10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.929 -3.848 -11.240 1.00 0.00 H new ATOM 387 N LEU A 24 -7.836 -5.674 -7.652 1.00 0.00 N ATOM 388 CA LEU A 24 -8.060 -5.996 -6.243 1.00 0.00 C ATOM 389 C LEU A 24 -9.503 -6.431 -6.023 1.00 0.00 C ATOM 390 O LEU A 24 -9.787 -7.263 -5.161 1.00 0.00 O ATOM 391 CB LEU A 24 -7.697 -4.806 -5.336 1.00 0.00 C ATOM 392 CG LEU A 24 -8.893 -3.855 -5.164 1.00 0.00 C ATOM 393 CD1 LEU A 24 -9.877 -4.370 -4.108 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.364 -2.499 -4.707 1.00 0.00 C ATOM 0 H LEU A 24 -7.626 -4.695 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.406 -6.825 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.377 -5.173 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.855 -4.262 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.417 -3.784 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.709 -3.672 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.255 -5.347 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.368 -4.458 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.197 -1.808 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.839 -2.614 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.678 -2.105 -5.457 1.00 0.00 H new ATOM 406 N GLU A 25 -10.409 -5.880 -6.821 1.00 0.00 N ATOM 407 CA GLU A 25 -11.812 -6.235 -6.719 1.00 0.00 C ATOM 408 C GLU A 25 -12.025 -7.678 -7.158 1.00 0.00 C ATOM 409 O GLU A 25 -12.848 -8.390 -6.589 1.00 0.00 O ATOM 410 CB GLU A 25 -12.627 -5.302 -7.614 1.00 0.00 C ATOM 411 CG GLU A 25 -14.001 -5.892 -7.858 1.00 0.00 C ATOM 412 CD GLU A 25 -14.972 -4.795 -8.277 1.00 0.00 C ATOM 413 OE1 GLU A 25 -16.066 -4.760 -7.740 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.605 -4.002 -9.129 1.00 0.00 O ATOM 0 H GLU A 25 -10.196 -5.190 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.135 -6.134 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.720 -4.323 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.112 -5.152 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.945 -6.656 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.361 -6.382 -6.954 1.00 0.00 H new ATOM 421 N ALA A 26 -11.268 -8.108 -8.165 1.00 0.00 N ATOM 422 CA ALA A 26 -11.386 -9.474 -8.659 1.00 0.00 C ATOM 423 C ALA A 26 -10.951 -10.463 -7.587 1.00 0.00 C ATOM 424 O ALA A 26 -11.551 -11.528 -7.429 1.00 0.00 O ATOM 425 CB ALA A 26 -10.525 -9.666 -9.912 1.00 0.00 C ATOM 0 H ALA A 26 -10.575 -7.537 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.430 -9.656 -8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.624 -10.691 -10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.856 -8.978 -10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.481 -9.465 -9.670 1.00 0.00 H new ATOM 431 N ALA A 27 -9.906 -10.102 -6.850 1.00 0.00 N ATOM 432 CA ALA A 27 -9.402 -10.967 -5.789 1.00 0.00 C ATOM 433 C ALA A 27 -10.405 -11.027 -4.642 1.00 0.00 C ATOM 434 O ALA A 27 -10.333 -11.909 -3.787 1.00 0.00 O ATOM 435 CB ALA A 27 -8.061 -10.445 -5.272 1.00 0.00 C ATOM 0 H ALA A 27 -9.396 -9.226 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.261 -11.969 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.696 -11.100 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.339 -10.425 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.190 -9.437 -4.878 1.00 0.00 H new ATOM 441 N ASP A 28 -11.342 -10.082 -4.641 1.00 0.00 N ATOM 442 CA ASP A 28 -12.372 -10.025 -3.605 1.00 0.00 C ATOM 443 C ASP A 28 -11.861 -9.314 -2.353 1.00 0.00 C ATOM 444 O ASP A 28 -12.163 -9.735 -1.236 1.00 0.00 O ATOM 445 CB ASP A 28 -12.837 -11.438 -3.232 1.00 0.00 C ATOM 446 CG ASP A 28 -14.307 -11.419 -2.822 1.00 0.00 C ATOM 447 OD1 ASP A 28 -14.598 -11.821 -1.706 1.00 0.00 O ATOM 448 OD2 ASP A 28 -15.124 -11.005 -3.629 1.00 0.00 O ATOM 0 H ASP A 28 -11.410 -9.346 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.212 -9.460 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.697 -12.110 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.229 -11.825 -2.414 1.00 0.00 H new ATOM 453 N LEU A 29 -11.104 -8.228 -2.538 1.00 0.00 N ATOM 454 CA LEU A 29 -10.590 -7.465 -1.396 1.00 0.00 C ATOM 455 C LEU A 29 -11.330 -6.140 -1.280 1.00 0.00 C ATOM 456 O LEU A 29 -11.126 -5.388 -0.340 1.00 0.00 O ATOM 457 CB LEU A 29 -9.078 -7.193 -1.515 1.00 0.00 C ATOM 458 CG LEU A 29 -8.276 -8.405 -1.009 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.312 -8.484 0.519 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.862 -9.697 -1.573 1.00 0.00 C ATOM 0 H LEU A 29 -10.837 -7.862 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.756 -8.068 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.820 -6.985 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.814 -6.307 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.245 -8.283 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.738 -9.349 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.879 -7.577 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.345 -8.583 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.286 -10.547 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.899 -9.796 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.820 -9.671 -2.662 1.00 0.00 H new ATOM 472 N LYS A 30 -12.196 -5.859 -2.236 1.00 0.00 N ATOM 473 CA LYS A 30 -12.958 -4.620 -2.211 1.00 0.00 C ATOM 474 C LYS A 30 -13.733 -4.502 -0.897 1.00 0.00 C ATOM 475 O LYS A 30 -13.916 -3.406 -0.357 1.00 0.00 O ATOM 476 CB LYS A 30 -13.923 -4.545 -3.416 1.00 0.00 C ATOM 477 CG LYS A 30 -14.594 -5.908 -3.707 1.00 0.00 C ATOM 478 CD LYS A 30 -15.945 -5.977 -3.002 1.00 0.00 C ATOM 479 CE LYS A 30 -16.411 -7.434 -2.897 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.904 -7.475 -2.890 1.00 0.00 N ATOM 0 H LYS A 30 -12.390 -6.464 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.260 -3.786 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.691 -3.797 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.376 -4.215 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.727 -6.037 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.953 -6.720 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.867 -5.539 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.681 -5.390 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.024 -8.013 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.019 -7.889 -1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.224 -8.462 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.262 -6.935 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.267 -7.056 -3.770 1.00 0.00 H new ATOM 494 N GLU A 31 -14.175 -5.645 -0.381 1.00 0.00 N ATOM 495 CA GLU A 31 -14.924 -5.676 0.868 1.00 0.00 C ATOM 496 C GLU A 31 -13.984 -5.534 2.058 1.00 0.00 C ATOM 497 O GLU A 31 -14.398 -5.150 3.143 1.00 0.00 O ATOM 498 CB GLU A 31 -15.695 -6.993 0.972 1.00 0.00 C ATOM 499 CG GLU A 31 -14.722 -8.162 0.833 1.00 0.00 C ATOM 500 CD GLU A 31 -14.890 -9.119 2.008 1.00 0.00 C ATOM 501 OE1 GLU A 31 -15.990 -9.614 2.190 1.00 0.00 O ATOM 502 OE2 GLU A 31 -13.916 -9.343 2.709 1.00 0.00 O ATOM 0 H GLU A 31 -14.027 -6.559 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.625 -4.842 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.214 -7.049 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.456 -7.044 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.903 -8.688 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.697 -7.792 0.798 1.00 0.00 H new ATOM 509 N LEU A 32 -12.716 -5.837 1.849 1.00 0.00 N ATOM 510 CA LEU A 32 -11.743 -5.726 2.909 1.00 0.00 C ATOM 511 C LEU A 32 -11.462 -4.250 3.182 1.00 0.00 C ATOM 512 O LEU A 32 -11.272 -3.842 4.328 1.00 0.00 O ATOM 513 CB LEU A 32 -10.483 -6.479 2.491 1.00 0.00 C ATOM 514 CG LEU A 32 -9.379 -6.247 3.515 1.00 0.00 C ATOM 515 CD1 LEU A 32 -8.618 -7.536 3.822 1.00 0.00 C ATOM 516 CD2 LEU A 32 -8.367 -5.239 2.984 1.00 0.00 C ATOM 0 H LEU A 32 -12.341 -6.160 0.957 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.117 -6.167 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.696 -7.545 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.156 -6.141 1.507 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.862 -5.878 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.838 -7.332 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.308 -8.279 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.164 -7.917 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.584 -5.084 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.924 -5.619 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.868 -4.292 2.781 1.00 0.00 H new ATOM 528 N LEU A 33 -11.471 -3.452 2.116 1.00 0.00 N ATOM 529 CA LEU A 33 -11.252 -2.006 2.244 1.00 0.00 C ATOM 530 C LEU A 33 -12.469 -1.324 2.859 1.00 0.00 C ATOM 531 O LEU A 33 -12.329 -0.420 3.682 1.00 0.00 O ATOM 532 CB LEU A 33 -10.978 -1.336 0.888 1.00 0.00 C ATOM 533 CG LEU A 33 -10.486 -2.350 -0.136 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.118 -1.640 -1.444 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.264 -3.071 0.408 1.00 0.00 C ATOM 0 H LEU A 33 -11.626 -3.775 1.161 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.379 -1.891 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.888 -0.860 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.234 -0.549 1.012 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.280 -3.071 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.767 -2.374 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.995 -1.129 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.329 -0.912 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.913 -3.796 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.474 -2.347 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.527 -3.587 1.331 1.00 0.00 H new ATOM 547 N THR A 34 -13.661 -1.741 2.446 1.00 0.00 N ATOM 548 CA THR A 34 -14.878 -1.132 2.963 1.00 0.00 C ATOM 549 C THR A 34 -15.129 -1.567 4.399 1.00 0.00 C ATOM 550 O THR A 34 -15.750 -0.844 5.178 1.00 0.00 O ATOM 551 CB THR A 34 -16.060 -1.535 2.078 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.041 -0.506 2.096 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.676 -2.834 2.585 1.00 0.00 C ATOM 0 H THR A 34 -13.809 -2.486 1.766 1.00 0.00 H new ATOM 0 HA THR A 34 -14.765 -0.048 2.951 1.00 0.00 H new ATOM 0 HB THR A 34 -15.705 -1.684 1.058 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.618 0.353 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.516 -3.111 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.927 -3.625 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.026 -2.696 3.608 1.00 0.00 H new ATOM 561 N GLN A 35 -14.655 -2.759 4.739 1.00 0.00 N ATOM 562 CA GLN A 35 -14.848 -3.286 6.083 1.00 0.00 C ATOM 563 C GLN A 35 -14.120 -2.405 7.117 1.00 0.00 C ATOM 564 O GLN A 35 -12.899 -2.297 7.071 1.00 0.00 O ATOM 565 CB GLN A 35 -14.319 -4.723 6.160 1.00 0.00 C ATOM 566 CG GLN A 35 -15.492 -5.710 6.090 1.00 0.00 C ATOM 567 CD GLN A 35 -15.035 -7.030 5.495 1.00 0.00 C ATOM 568 OE1 GLN A 35 -15.067 -7.186 4.202 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -14.648 -7.943 6.224 1.00 0.00 N flip ATOM 0 H GLN A 35 -14.139 -3.374 4.109 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.914 -3.282 6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.625 -4.910 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.764 -4.867 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.898 -5.874 7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.295 -5.289 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.626 -7.813 7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.350 -8.829 5.817 1.00 0.00 H new ATOM 578 N PRO A 36 -14.824 -1.770 8.040 1.00 0.00 N ATOM 579 CA PRO A 36 -14.185 -0.897 9.072 1.00 0.00 C ATOM 580 C PRO A 36 -12.906 -1.498 9.661 1.00 0.00 C ATOM 581 O PRO A 36 -12.844 -2.695 9.947 1.00 0.00 O ATOM 582 CB PRO A 36 -15.266 -0.780 10.145 1.00 0.00 C ATOM 583 CG PRO A 36 -16.555 -0.889 9.408 1.00 0.00 C ATOM 584 CD PRO A 36 -16.294 -1.796 8.208 1.00 0.00 C ATOM 0 HA PRO A 36 -13.867 0.057 8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.170 -1.570 10.890 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.194 0.169 10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.333 -1.306 10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.901 0.093 9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.655 -2.808 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.802 -1.431 7.316 1.00 0.00 H new ATOM 592 N GLY A 37 -11.893 -0.652 9.851 1.00 0.00 N ATOM 593 CA GLY A 37 -10.621 -1.100 10.422 1.00 0.00 C ATOM 594 C GLY A 37 -9.482 -0.171 10.008 1.00 0.00 C ATOM 595 O GLY A 37 -9.391 0.228 8.849 1.00 0.00 O ATOM 0 H GLY A 37 -11.927 0.341 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.696 -1.129 11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.406 -2.116 10.090 1.00 0.00 H new ATOM 599 N ASP A 38 -8.619 0.177 10.964 1.00 0.00 N ATOM 600 CA ASP A 38 -7.501 1.071 10.686 1.00 0.00 C ATOM 601 C ASP A 38 -6.238 0.289 10.339 1.00 0.00 C ATOM 602 O ASP A 38 -5.724 -0.475 11.154 1.00 0.00 O ATOM 603 CB ASP A 38 -7.233 1.953 11.905 1.00 0.00 C ATOM 604 CG ASP A 38 -8.055 1.456 13.091 1.00 0.00 C ATOM 605 OD1 ASP A 38 -7.457 0.980 14.041 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.269 1.560 13.030 1.00 0.00 O ATOM 0 H ASP A 38 -8.674 -0.146 11.930 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.768 1.689 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.172 1.935 12.153 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.490 2.988 11.680 1.00 0.00 H new ATOM 611 N TRP A 39 -5.739 0.495 9.126 1.00 0.00 N ATOM 612 CA TRP A 39 -4.530 -0.187 8.686 1.00 0.00 C ATOM 613 C TRP A 39 -3.781 0.660 7.665 1.00 0.00 C ATOM 614 O TRP A 39 -4.318 1.647 7.149 1.00 0.00 O ATOM 615 CB TRP A 39 -4.875 -1.539 8.053 1.00 0.00 C ATOM 616 CG TRP A 39 -6.313 -1.870 8.272 1.00 0.00 C ATOM 617 CD1 TRP A 39 -6.832 -2.372 9.415 1.00 0.00 C ATOM 618 CD2 TRP A 39 -7.417 -1.756 7.335 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.190 -2.567 9.240 1.00 0.00 N ATOM 620 CE2 TRP A 39 -8.598 -2.201 7.972 1.00 0.00 C ATOM 621 CE3 TRP A 39 -7.508 -1.309 6.007 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -9.825 -2.205 7.312 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -8.740 -1.310 5.340 1.00 0.00 C ATOM 624 CH2 TRP A 39 -9.898 -1.758 5.990 1.00 0.00 C ATOM 0 H TRP A 39 -6.149 1.123 8.435 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.899 -0.346 9.560 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.661 -1.511 6.985 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.247 -2.319 8.484 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.277 -2.586 10.317 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.813 -2.936 9.958 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.622 -0.962 5.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.714 -2.551 7.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.798 -0.963 4.319 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -10.845 -1.758 5.470 1.00 0.00 H new ATOM 635 N THR A 40 -2.545 0.254 7.367 1.00 0.00 N ATOM 636 CA THR A 40 -1.729 0.963 6.387 1.00 0.00 C ATOM 637 C THR A 40 -1.339 0.023 5.255 1.00 0.00 C ATOM 638 O THR A 40 -0.984 -1.135 5.478 1.00 0.00 O ATOM 639 CB THR A 40 -0.480 1.559 7.040 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.875 2.494 8.034 1.00 0.00 O ATOM 641 CG2 THR A 40 0.363 2.269 5.979 1.00 0.00 C ATOM 0 H THR A 40 -2.092 -0.557 7.789 1.00 0.00 H new ATOM 0 HA THR A 40 -2.319 1.784 5.979 1.00 0.00 H new ATOM 0 HB THR A 40 0.109 0.764 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.776 2.090 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.252 2.693 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.661 1.554 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.223 3.067 5.523 1.00 0.00 H new ATOM 649 N LEU A 41 -1.436 0.529 4.039 1.00 0.00 N ATOM 650 CA LEU A 41 -1.123 -0.253 2.857 1.00 0.00 C ATOM 651 C LEU A 41 -0.301 0.570 1.879 1.00 0.00 C ATOM 652 O LEU A 41 -0.382 1.798 1.847 1.00 0.00 O ATOM 653 CB LEU A 41 -2.408 -0.817 2.198 1.00 0.00 C ATOM 654 CG LEU A 41 -3.177 0.243 1.368 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.327 1.557 2.130 1.00 0.00 C ATOM 656 CD2 LEU A 41 -2.472 0.537 0.046 1.00 0.00 C ATOM 0 H LEU A 41 -1.731 1.486 3.844 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.521 -1.109 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.142 -1.653 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.065 -1.210 2.974 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.162 -0.181 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.871 2.274 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.877 1.381 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.340 1.956 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.038 1.284 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.469 0.916 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.404 -0.378 -0.542 1.00 0.00 H new ATOM 668 N PHE A 42 0.516 -0.113 1.106 1.00 0.00 N ATOM 669 CA PHE A 42 1.382 0.556 0.154 1.00 0.00 C ATOM 670 C PHE A 42 0.808 0.469 -1.248 1.00 0.00 C ATOM 671 O PHE A 42 0.917 -0.561 -1.912 1.00 0.00 O ATOM 672 CB PHE A 42 2.781 -0.071 0.195 1.00 0.00 C ATOM 673 CG PHE A 42 3.565 0.547 1.330 1.00 0.00 C ATOM 674 CD1 PHE A 42 3.044 0.547 2.633 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.803 1.141 1.079 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.757 1.146 3.674 1.00 0.00 C ATOM 677 CE2 PHE A 42 5.517 1.735 2.126 1.00 0.00 C ATOM 678 CZ PHE A 42 4.993 1.739 3.421 1.00 0.00 C ATOM 0 H PHE A 42 0.600 -1.129 1.117 1.00 0.00 H new ATOM 0 HA PHE A 42 1.454 1.609 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.706 -1.150 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.295 0.094 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.089 0.083 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.209 1.142 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.351 1.150 4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.476 2.192 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.545 2.201 4.226 1.00 0.00 H new ATOM 688 N VAL A 43 0.195 1.559 -1.695 1.00 0.00 N ATOM 689 CA VAL A 43 -0.387 1.581 -3.030 1.00 0.00 C ATOM 690 C VAL A 43 0.558 2.238 -4.054 1.00 0.00 C ATOM 691 O VAL A 43 0.481 3.445 -4.282 1.00 0.00 O ATOM 692 CB VAL A 43 -1.739 2.309 -3.029 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.674 3.591 -2.218 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.158 2.612 -4.470 1.00 0.00 C ATOM 0 H VAL A 43 0.089 2.423 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.542 0.543 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.481 1.660 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.646 4.083 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.406 3.357 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.923 4.255 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.118 3.129 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.406 3.244 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.249 1.679 -5.026 1.00 0.00 H new ATOM 704 N PRO A 44 1.445 1.488 -4.690 1.00 0.00 N ATOM 705 CA PRO A 44 2.349 2.068 -5.729 1.00 0.00 C ATOM 706 C PRO A 44 1.564 2.694 -6.878 1.00 0.00 C ATOM 707 O PRO A 44 0.425 2.311 -7.143 1.00 0.00 O ATOM 708 CB PRO A 44 3.148 0.872 -6.251 1.00 0.00 C ATOM 709 CG PRO A 44 2.445 -0.338 -5.762 1.00 0.00 C ATOM 710 CD PRO A 44 1.732 0.052 -4.487 1.00 0.00 C ATOM 0 HA PRO A 44 2.972 2.860 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.196 0.881 -7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.175 0.900 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.735 -0.699 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.152 -1.147 -5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.819 -0.525 -4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.356 -0.114 -3.609 1.00 0.00 H new ATOM 718 N THR A 45 2.183 3.647 -7.566 1.00 0.00 N ATOM 719 CA THR A 45 1.527 4.301 -8.694 1.00 0.00 C ATOM 720 C THR A 45 1.689 3.486 -9.975 1.00 0.00 C ATOM 721 O THR A 45 2.389 2.474 -9.997 1.00 0.00 O ATOM 722 CB THR A 45 2.124 5.691 -8.906 1.00 0.00 C ATOM 723 OG1 THR A 45 3.444 5.723 -8.381 1.00 0.00 O ATOM 724 CG2 THR A 45 1.270 6.736 -8.194 1.00 0.00 C ATOM 0 H THR A 45 3.126 3.981 -7.367 1.00 0.00 H new ATOM 0 HA THR A 45 0.465 4.382 -8.464 1.00 0.00 H new ATOM 0 HB THR A 45 2.148 5.913 -9.973 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.829 6.614 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.701 7.725 -8.349 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.257 6.714 -8.597 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.241 6.516 -7.127 1.00 0.00 H new ATOM 732 N ASN A 46 1.036 3.941 -11.041 1.00 0.00 N ATOM 733 CA ASN A 46 1.106 3.252 -12.327 1.00 0.00 C ATOM 734 C ASN A 46 2.555 3.063 -12.768 1.00 0.00 C ATOM 735 O ASN A 46 2.923 2.000 -13.268 1.00 0.00 O ATOM 736 CB ASN A 46 0.352 4.051 -13.393 1.00 0.00 C ATOM 737 CG ASN A 46 1.239 5.165 -13.941 1.00 0.00 C ATOM 738 OD1 ASN A 46 1.817 5.934 -13.174 1.00 0.00 O ATOM 739 ND2 ASN A 46 1.381 5.299 -15.232 1.00 0.00 N ATOM 0 H ASN A 46 0.455 4.779 -11.041 1.00 0.00 H new ATOM 0 HA ASN A 46 0.645 2.271 -12.209 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.043 3.390 -14.203 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.556 4.476 -12.965 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.972 6.042 -15.606 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.901 4.661 -15.867 1.00 0.00 H new ATOM 746 N ASP A 47 3.367 4.101 -12.588 1.00 0.00 N ATOM 747 CA ASP A 47 4.773 4.041 -12.980 1.00 0.00 C ATOM 748 C ASP A 47 5.468 2.851 -12.322 1.00 0.00 C ATOM 749 O ASP A 47 6.452 2.327 -12.842 1.00 0.00 O ATOM 750 CB ASP A 47 5.484 5.332 -12.573 1.00 0.00 C ATOM 751 CG ASP A 47 6.902 5.343 -13.131 1.00 0.00 C ATOM 752 OD1 ASP A 47 7.614 6.298 -12.869 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.256 4.395 -13.813 1.00 0.00 O ATOM 0 H ASP A 47 3.079 4.988 -12.176 1.00 0.00 H new ATOM 0 HA ASP A 47 4.820 3.922 -14.062 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.931 6.194 -12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.511 5.415 -11.487 1.00 0.00 H new ATOM 758 N ALA A 48 4.947 2.441 -11.175 1.00 0.00 N ATOM 759 CA ALA A 48 5.511 1.319 -10.434 1.00 0.00 C ATOM 760 C ALA A 48 4.864 0.011 -10.854 1.00 0.00 C ATOM 761 O ALA A 48 5.353 -1.069 -10.523 1.00 0.00 O ATOM 762 CB ALA A 48 5.279 1.532 -8.948 1.00 0.00 C ATOM 0 H ALA A 48 4.132 2.869 -10.735 1.00 0.00 H new ATOM 0 HA ALA A 48 6.578 1.266 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.699 0.695 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.762 2.457 -8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.209 1.597 -8.753 1.00 0.00 H new ATOM 768 N PHE A 49 3.759 0.116 -11.576 1.00 0.00 N ATOM 769 CA PHE A 49 3.046 -1.069 -12.027 1.00 0.00 C ATOM 770 C PHE A 49 3.350 -1.330 -13.496 1.00 0.00 C ATOM 771 O PHE A 49 2.909 -2.330 -14.066 1.00 0.00 O ATOM 772 CB PHE A 49 1.536 -0.883 -11.826 1.00 0.00 C ATOM 773 CG PHE A 49 0.809 -1.253 -13.094 1.00 0.00 C ATOM 774 CD1 PHE A 49 0.682 -0.317 -14.125 1.00 0.00 C ATOM 775 CD2 PHE A 49 0.279 -2.540 -13.246 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.023 -0.666 -15.310 1.00 0.00 C ATOM 777 CE2 PHE A 49 -0.383 -2.889 -14.428 1.00 0.00 C ATOM 778 CZ PHE A 49 -0.510 -1.953 -15.461 1.00 0.00 C ATOM 0 H PHE A 49 3.339 1.001 -11.860 1.00 0.00 H new ATOM 0 HA PHE A 49 3.376 -1.926 -11.440 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.189 -1.505 -11.001 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.319 0.151 -11.559 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.092 0.675 -14.007 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.381 -3.263 -12.451 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.074 0.056 -16.107 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.796 -3.880 -14.543 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.019 -2.223 -16.375 1.00 0.00 H new ATOM 834 N THR A 53 7.934 -7.330 -15.128 1.00 0.00 N ATOM 835 CA THR A 53 8.731 -8.203 -15.956 1.00 0.00 C ATOM 836 C THR A 53 7.969 -9.468 -16.282 1.00 0.00 C ATOM 837 O THR A 53 7.203 -9.974 -15.464 1.00 0.00 O ATOM 838 CB THR A 53 10.029 -8.524 -15.246 1.00 0.00 C ATOM 839 OG1 THR A 53 9.773 -9.332 -14.106 1.00 0.00 O ATOM 840 CG2 THR A 53 10.670 -7.207 -14.822 1.00 0.00 C ATOM 0 HA THR A 53 8.957 -7.699 -16.896 1.00 0.00 H new ATOM 0 HB THR A 53 10.698 -9.073 -15.909 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.618 -9.536 -13.653 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.609 -7.409 -14.307 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.864 -6.596 -15.704 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.996 -6.673 -14.152 1.00 0.00 H new ATOM 848 N SER A 54 8.172 -9.961 -17.490 1.00 0.00 N ATOM 849 CA SER A 54 7.484 -11.161 -17.932 1.00 0.00 C ATOM 850 C SER A 54 7.567 -12.242 -16.868 1.00 0.00 C ATOM 851 O SER A 54 6.705 -13.117 -16.787 1.00 0.00 O ATOM 852 CB SER A 54 8.099 -11.668 -19.235 1.00 0.00 C ATOM 853 OG SER A 54 9.002 -10.692 -19.738 1.00 0.00 O ATOM 0 H SER A 54 8.803 -9.553 -18.179 1.00 0.00 H new ATOM 0 HA SER A 54 6.436 -10.916 -18.103 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.621 -12.609 -19.062 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.316 -11.868 -19.967 1.00 0.00 H new ATOM 0 HG SER A 54 9.400 -11.014 -20.573 1.00 0.00 H new ATOM 859 N GLU A 55 8.607 -12.174 -16.053 1.00 0.00 N ATOM 860 CA GLU A 55 8.794 -13.151 -14.993 1.00 0.00 C ATOM 861 C GLU A 55 8.051 -12.723 -13.734 1.00 0.00 C ATOM 862 O GLU A 55 7.608 -13.561 -12.951 1.00 0.00 O ATOM 863 CB GLU A 55 10.284 -13.306 -14.686 1.00 0.00 C ATOM 864 CG GLU A 55 10.520 -14.616 -13.932 1.00 0.00 C ATOM 865 CD GLU A 55 11.644 -14.437 -12.917 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.479 -13.631 -12.016 1.00 0.00 O ATOM 867 OE2 GLU A 55 12.654 -15.106 -13.057 1.00 0.00 O ATOM 0 H GLU A 55 9.331 -11.457 -16.104 1.00 0.00 H new ATOM 0 HA GLU A 55 8.392 -14.107 -15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.859 -13.299 -15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.632 -12.463 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.606 -14.923 -13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.776 -15.409 -14.635 1.00 0.00 H new ATOM 874 N GLU A 56 7.920 -11.414 -13.544 1.00 0.00 N ATOM 875 CA GLU A 56 7.237 -10.883 -12.372 1.00 0.00 C ATOM 876 C GLU A 56 5.735 -11.129 -12.450 1.00 0.00 C ATOM 877 O GLU A 56 5.151 -11.757 -11.564 1.00 0.00 O ATOM 878 CB GLU A 56 7.494 -9.379 -12.254 1.00 0.00 C ATOM 879 CG GLU A 56 8.750 -9.139 -11.417 1.00 0.00 C ATOM 880 CD GLU A 56 8.448 -9.376 -9.942 1.00 0.00 C ATOM 881 OE1 GLU A 56 7.344 -9.063 -9.525 1.00 0.00 O ATOM 882 OE2 GLU A 56 9.324 -9.866 -9.249 1.00 0.00 O ATOM 0 H GLU A 56 8.277 -10.705 -14.184 1.00 0.00 H new ATOM 0 HA GLU A 56 7.630 -11.398 -11.495 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.616 -8.942 -13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.637 -8.888 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.548 -9.805 -11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.106 -8.119 -11.564 1.00 0.00 H new ATOM 889 N LYS A 57 5.112 -10.628 -13.508 1.00 0.00 N ATOM 890 CA LYS A 57 3.681 -10.794 -13.670 1.00 0.00 C ATOM 891 C LYS A 57 3.314 -12.269 -13.595 1.00 0.00 C ATOM 892 O LYS A 57 2.194 -12.625 -13.234 1.00 0.00 O ATOM 893 CB LYS A 57 3.237 -10.210 -15.012 1.00 0.00 C ATOM 894 CG LYS A 57 4.256 -10.571 -16.092 1.00 0.00 C ATOM 895 CD LYS A 57 3.548 -10.727 -17.439 1.00 0.00 C ATOM 896 CE LYS A 57 3.161 -12.188 -17.627 1.00 0.00 C ATOM 897 NZ LYS A 57 4.390 -13.002 -17.842 1.00 0.00 N ATOM 0 H LYS A 57 5.572 -10.110 -14.257 1.00 0.00 H new ATOM 0 HA LYS A 57 3.170 -10.264 -12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.254 -10.598 -15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.142 -9.127 -14.935 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.019 -9.795 -16.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.766 -11.498 -15.829 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.661 -10.095 -17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.202 -10.403 -18.248 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.622 -12.548 -16.751 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.490 -12.291 -18.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.238 -13.964 -17.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.603 -13.048 -18.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.189 -12.564 -17.341 1.00 0.00 H new ATOM 911 N GLU A 58 4.270 -13.125 -13.929 1.00 0.00 N ATOM 912 CA GLU A 58 4.033 -14.553 -13.892 1.00 0.00 C ATOM 913 C GLU A 58 4.083 -15.068 -12.456 1.00 0.00 C ATOM 914 O GLU A 58 3.131 -15.678 -11.973 1.00 0.00 O ATOM 915 CB GLU A 58 5.083 -15.271 -14.749 1.00 0.00 C ATOM 916 CG GLU A 58 5.351 -16.672 -14.193 1.00 0.00 C ATOM 917 CD GLU A 58 6.087 -17.509 -15.231 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.548 -17.686 -16.310 1.00 0.00 O ATOM 919 OE2 GLU A 58 7.181 -17.959 -14.933 1.00 0.00 O ATOM 0 H GLU A 58 5.208 -12.854 -14.226 1.00 0.00 H new ATOM 0 HA GLU A 58 3.040 -14.757 -14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.736 -15.341 -15.780 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.008 -14.694 -14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.944 -16.604 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.410 -17.153 -13.926 1.00 0.00 H new ATOM 926 N ILE A 59 5.201 -14.825 -11.778 1.00 0.00 N ATOM 927 CA ILE A 59 5.355 -15.283 -10.399 1.00 0.00 C ATOM 928 C ILE A 59 4.091 -14.997 -9.599 1.00 0.00 C ATOM 929 O ILE A 59 3.739 -15.747 -8.688 1.00 0.00 O ATOM 930 CB ILE A 59 6.549 -14.590 -9.746 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.844 -15.120 -10.364 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.556 -14.891 -8.248 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.954 -14.081 -10.193 1.00 0.00 C ATOM 0 H ILE A 59 6.004 -14.321 -12.154 1.00 0.00 H new ATOM 0 HA ILE A 59 5.528 -16.359 -10.409 1.00 0.00 H new ATOM 0 HB ILE A 59 6.474 -13.514 -9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.131 -16.056 -9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.693 -15.336 -11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.408 -14.397 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.633 -14.524 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.632 -15.967 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.877 -14.459 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.666 -13.156 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.111 -13.888 -9.132 1.00 0.00 H new ATOM 945 N LEU A 60 3.413 -13.911 -9.937 1.00 0.00 N ATOM 946 CA LEU A 60 2.191 -13.542 -9.230 1.00 0.00 C ATOM 947 C LEU A 60 1.016 -14.431 -9.645 1.00 0.00 C ATOM 948 O LEU A 60 0.446 -15.159 -8.821 1.00 0.00 O ATOM 949 CB LEU A 60 1.849 -12.082 -9.530 1.00 0.00 C ATOM 950 CG LEU A 60 2.462 -11.171 -8.469 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.986 -11.310 -8.488 1.00 0.00 C ATOM 952 CD2 LEU A 60 2.081 -9.720 -8.766 1.00 0.00 C ATOM 0 H LEU A 60 3.682 -13.275 -10.687 1.00 0.00 H new ATOM 0 HA LEU A 60 2.364 -13.678 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.224 -11.808 -10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.767 -11.951 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 60 2.086 -11.456 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.420 -10.659 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.260 -12.344 -8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.365 -11.027 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.517 -9.067 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.458 -9.439 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.996 -9.618 -8.751 1.00 0.00 H new ATOM 964 N ILE A 61 0.652 -14.357 -10.924 1.00 0.00 N ATOM 965 CA ILE A 61 -0.467 -15.145 -11.437 1.00 0.00 C ATOM 966 C ILE A 61 -0.140 -16.640 -11.404 1.00 0.00 C ATOM 967 O ILE A 61 -1.001 -17.480 -11.665 1.00 0.00 O ATOM 968 CB ILE A 61 -0.789 -14.726 -12.882 1.00 0.00 C ATOM 969 CG1 ILE A 61 0.311 -15.216 -13.827 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.876 -13.203 -12.985 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.189 -16.420 -14.626 1.00 0.00 C ATOM 0 H ILE A 61 1.110 -13.766 -11.618 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.332 -14.959 -10.800 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.745 -15.169 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.604 -14.414 -14.505 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.198 -15.490 -13.256 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.104 -12.920 -14.013 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.663 -12.838 -12.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.077 -12.763 -12.691 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.598 -16.764 -15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.460 -17.224 -13.942 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.063 -16.131 -15.210 1.00 0.00 H new ATOM 983 N ARG A 62 1.116 -16.961 -11.096 1.00 0.00 N ATOM 984 CA ARG A 62 1.550 -18.354 -11.053 1.00 0.00 C ATOM 985 C ARG A 62 0.735 -19.136 -10.037 1.00 0.00 C ATOM 986 O ARG A 62 0.564 -20.349 -10.165 1.00 0.00 O ATOM 987 CB ARG A 62 3.032 -18.435 -10.680 1.00 0.00 C ATOM 988 CG ARG A 62 3.483 -19.896 -10.694 1.00 0.00 C ATOM 989 CD ARG A 62 5.011 -19.952 -10.732 1.00 0.00 C ATOM 990 NE ARG A 62 5.484 -21.247 -10.261 1.00 0.00 N ATOM 991 CZ ARG A 62 6.768 -21.582 -10.346 1.00 0.00 C ATOM 992 NH1 ARG A 62 7.627 -20.744 -10.860 1.00 0.00 N ATOM 993 NH2 ARG A 62 7.169 -22.747 -9.916 1.00 0.00 N ATOM 0 H ARG A 62 1.844 -16.282 -10.875 1.00 0.00 H new ATOM 0 HA ARG A 62 1.399 -18.787 -12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.627 -17.853 -11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.193 -18.003 -9.692 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.110 -20.412 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.067 -20.409 -11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.362 -19.777 -11.749 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.426 -19.158 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 62 4.819 -21.908 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.313 -19.834 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.612 -21.000 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.497 -23.401 -9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.154 -23.003 -9.982 1.00 0.00 H new ATOM 1007 N ASP A 63 0.224 -18.436 -9.032 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.580 -19.084 -8.007 1.00 0.00 C ATOM 1009 C ASP A 63 -1.505 -18.070 -7.353 1.00 0.00 C ATOM 1010 O ASP A 63 -1.063 -17.010 -6.912 1.00 0.00 O ATOM 1011 CB ASP A 63 0.323 -19.725 -6.951 1.00 0.00 C ATOM 1012 CG ASP A 63 -0.356 -20.960 -6.369 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -0.819 -21.778 -7.147 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -0.404 -21.069 -5.155 1.00 0.00 O ATOM 0 H ASP A 63 0.350 -17.432 -8.906 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.181 -19.864 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.279 -20.001 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.535 -19.008 -6.158 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.791 -18.398 -7.297 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.764 -17.497 -6.696 1.00 0.00 C ATOM 1021 C LYS A 64 -3.277 -17.051 -5.324 1.00 0.00 C ATOM 1022 O LYS A 64 -3.515 -15.922 -4.910 1.00 0.00 O ATOM 1023 CB LYS A 64 -5.132 -18.208 -6.590 1.00 0.00 C ATOM 1024 CG LYS A 64 -6.079 -17.523 -5.570 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.473 -16.107 -6.036 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.981 -16.049 -6.306 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.720 -16.077 -5.012 1.00 0.00 N ATOM 0 H LYS A 64 -3.179 -19.270 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.880 -16.613 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.608 -18.222 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.977 -19.246 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.976 -18.128 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.590 -17.465 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.202 -15.375 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.922 -15.845 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.228 -15.142 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.283 -16.892 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.733 -15.919 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.588 -17.003 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.356 -15.329 -4.388 1.00 0.00 H new ATOM 1041 N ASN A 65 -2.599 -17.945 -4.620 1.00 0.00 N ATOM 1042 CA ASN A 65 -2.100 -17.622 -3.295 1.00 0.00 C ATOM 1043 C ASN A 65 -0.948 -16.628 -3.377 1.00 0.00 C ATOM 1044 O ASN A 65 -0.740 -15.830 -2.462 1.00 0.00 O ATOM 1045 CB ASN A 65 -1.637 -18.894 -2.589 1.00 0.00 C ATOM 1046 CG ASN A 65 -2.708 -19.350 -1.605 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -3.118 -20.510 -1.625 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -3.191 -18.497 -0.743 1.00 0.00 N ATOM 0 H ASN A 65 -2.384 -18.889 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.910 -17.166 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.443 -19.678 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.700 -18.710 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.911 -18.791 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.849 -17.536 -0.730 1.00 0.00 H new ATOM 1055 N ALA A 66 -0.205 -16.684 -4.475 1.00 0.00 N ATOM 1056 CA ALA A 66 0.930 -15.788 -4.654 1.00 0.00 C ATOM 1057 C ALA A 66 0.468 -14.360 -4.925 1.00 0.00 C ATOM 1058 O ALA A 66 0.754 -13.436 -4.142 1.00 0.00 O ATOM 1059 CB ALA A 66 1.778 -16.263 -5.834 1.00 0.00 C ATOM 0 H ALA A 66 -0.365 -17.332 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 66 1.516 -15.800 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.626 -15.591 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.141 -17.272 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.172 -16.265 -6.740 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.259 -14.167 -6.021 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.734 -12.837 -6.325 1.00 0.00 C ATOM 1067 C LEU A 67 -1.527 -12.326 -5.128 1.00 0.00 C ATOM 1068 O LEU A 67 -1.553 -11.127 -4.868 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.554 -12.813 -7.645 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.043 -12.555 -7.388 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.792 -12.471 -8.711 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.603 -13.696 -6.562 1.00 0.00 C ATOM 0 H LEU A 67 -0.521 -14.892 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 67 0.110 -12.168 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.160 -12.039 -8.303 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.435 -13.764 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.163 -11.613 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.849 -12.288 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.385 -11.656 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.679 -13.410 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.662 -13.523 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.480 -14.633 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.070 -13.754 -5.613 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.176 -13.238 -4.388 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.960 -12.818 -3.233 1.00 0.00 C ATOM 1086 C GLN A 68 -2.066 -12.164 -2.188 1.00 0.00 C ATOM 1087 O GLN A 68 -2.306 -11.024 -1.755 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.689 -13.999 -2.584 1.00 0.00 C ATOM 1089 CG GLN A 68 -5.185 -13.962 -2.947 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.901 -12.950 -2.062 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.741 -11.676 -2.297 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.615 -13.326 -1.132 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.171 -14.242 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.698 -12.102 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.248 -14.938 -2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.568 -13.960 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.308 -13.694 -3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.626 -14.950 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.736 -14.323 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.085 -12.641 -0.541 1.00 0.00 H new ATOM 1101 N ASN A 69 -1.032 -12.894 -1.781 1.00 0.00 N ATOM 1102 CA ASN A 69 -0.112 -12.381 -0.787 1.00 0.00 C ATOM 1103 C ASN A 69 0.328 -10.974 -1.170 1.00 0.00 C ATOM 1104 O ASN A 69 0.445 -10.097 -0.312 1.00 0.00 O ATOM 1105 CB ASN A 69 1.104 -13.301 -0.650 1.00 0.00 C ATOM 1106 CG ASN A 69 2.237 -12.818 -1.546 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.825 -11.768 -1.294 1.00 0.00 O ATOM 1108 ND2 ASN A 69 2.582 -13.528 -2.582 1.00 0.00 N ATOM 0 H ASN A 69 -0.817 -13.831 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.621 -12.345 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.436 -13.323 0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.829 -14.321 -0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.341 -13.213 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.093 -14.399 -2.789 1.00 0.00 H new ATOM 1115 N ILE A 70 0.564 -10.758 -2.465 1.00 0.00 N ATOM 1116 CA ILE A 70 0.986 -9.435 -2.932 1.00 0.00 C ATOM 1117 C ILE A 70 -0.207 -8.481 -3.058 1.00 0.00 C ATOM 1118 O ILE A 70 -0.085 -7.293 -2.767 1.00 0.00 O ATOM 1119 CB ILE A 70 1.707 -9.552 -4.284 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.188 -9.955 -4.082 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.649 -8.198 -5.000 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.458 -11.340 -4.672 1.00 0.00 C ATOM 0 H ILE A 70 0.473 -11.464 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 70 1.673 -9.025 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 70 1.213 -10.319 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.838 -9.220 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.428 -9.954 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.159 -8.272 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.609 -7.916 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.139 -7.441 -4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.505 -11.603 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.823 -12.076 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.239 -11.330 -5.740 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.355 -8.992 -3.490 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.541 -8.148 -3.634 1.00 0.00 C ATOM 1136 C ILE A 71 -2.716 -7.277 -2.403 1.00 0.00 C ATOM 1137 O ILE A 71 -2.947 -6.075 -2.514 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.788 -9.011 -3.819 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -3.959 -9.363 -5.304 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.029 -8.272 -3.299 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -4.825 -8.316 -6.008 1.00 0.00 C ATOM 0 H ILE A 71 -1.492 -9.970 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.407 -7.516 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.671 -9.932 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.983 -9.419 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.418 -10.347 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.910 -8.899 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.903 -8.051 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.156 -7.341 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.935 -8.582 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.808 -8.281 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.350 -7.338 -5.929 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.619 -7.885 -1.224 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.785 -7.125 0.015 1.00 0.00 C ATOM 1155 C LEU A 72 -1.916 -5.877 0.020 1.00 0.00 C ATOM 1156 O LEU A 72 -2.023 -5.034 0.914 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.423 -7.992 1.202 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.350 -9.198 1.211 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.517 -10.470 1.232 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.249 -9.125 2.447 1.00 0.00 C ATOM 0 H LEU A 72 -2.431 -8.880 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.829 -6.818 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.383 -8.312 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.524 -7.428 2.129 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.974 -9.202 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.177 -11.337 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.882 -10.504 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.894 -10.482 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.917 -9.986 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.633 -9.128 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.838 -8.209 2.415 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.055 -5.766 -0.976 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.175 -4.614 -1.077 1.00 0.00 C ATOM 1174 C TYR A 73 0.505 -4.322 0.258 1.00 0.00 C ATOM 1175 O TYR A 73 0.718 -3.161 0.601 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.969 -3.378 -1.518 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.410 -3.533 -2.957 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -2.774 -3.596 -3.274 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -0.452 -3.615 -3.976 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -3.178 -3.742 -4.607 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -0.857 -3.761 -5.308 1.00 0.00 C ATOM 1182 CZ TYR A 73 -2.219 -3.824 -5.623 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.616 -3.969 -6.937 1.00 0.00 O ATOM 0 H TYR A 73 -0.946 -6.454 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 73 0.590 -4.845 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.839 -3.246 -0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.355 -2.484 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.514 -3.532 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.599 -3.566 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.229 -3.791 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.118 -3.825 -6.093 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.963 -3.115 -7.270 1.00 0.00 H new ATOM 1193 N HIS A 74 0.851 -5.374 1.006 1.00 0.00 N ATOM 1194 CA HIS A 74 1.522 -5.194 2.295 1.00 0.00 C ATOM 1195 C HIS A 74 0.583 -4.582 3.331 1.00 0.00 C ATOM 1196 O HIS A 74 0.978 -3.689 4.081 1.00 0.00 O ATOM 1197 CB HIS A 74 2.767 -4.313 2.125 1.00 0.00 C ATOM 1198 CG HIS A 74 3.474 -4.696 0.853 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.091 -4.207 -0.386 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.537 -5.531 0.612 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.908 -4.749 -1.308 1.00 0.00 C ATOM 1202 NE2 HIS A 74 4.809 -5.564 -0.753 1.00 0.00 N ATOM 0 H HIS A 74 0.680 -6.345 0.746 1.00 0.00 H new ATOM 0 HA HIS A 74 1.825 -6.177 2.655 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.482 -3.261 2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.434 -4.437 2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.080 -6.079 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.843 -4.549 -2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.539 -6.096 -1.227 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.652 -5.080 3.389 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.609 -4.576 4.370 1.00 0.00 C ATOM 1213 C LEU A 75 -1.006 -4.720 5.754 1.00 0.00 C ATOM 1214 O LEU A 75 -0.640 -5.822 6.153 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.927 -5.371 4.282 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.739 -5.274 5.587 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.013 -3.816 5.936 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.069 -6.000 5.407 1.00 0.00 C ATOM 0 H LEU A 75 -1.007 -5.818 2.781 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.826 -3.527 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.525 -4.994 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.708 -6.417 4.067 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.165 -5.731 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.588 -3.765 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.068 -3.289 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.580 -3.349 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.647 -5.934 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.629 -5.538 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.883 -7.047 5.170 1.00 0.00 H new ATOM 1230 N THR A 76 -0.911 -3.616 6.485 1.00 0.00 N ATOM 1231 CA THR A 76 -0.351 -3.659 7.833 1.00 0.00 C ATOM 1232 C THR A 76 -1.356 -3.090 8.833 1.00 0.00 C ATOM 1233 O THR A 76 -1.985 -2.076 8.550 1.00 0.00 O ATOM 1234 CB THR A 76 0.962 -2.854 7.894 1.00 0.00 C ATOM 1235 OG1 THR A 76 2.035 -3.737 8.154 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.915 -1.800 9.013 1.00 0.00 C ATOM 0 H THR A 76 -1.209 -2.691 6.174 1.00 0.00 H new ATOM 0 HA THR A 76 -0.138 -4.697 8.090 1.00 0.00 H new ATOM 0 HB THR A 76 1.097 -2.348 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.871 -3.229 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.854 -1.248 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.092 -1.110 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.765 -2.295 9.973 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.510 -3.684 9.994 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.462 -3.166 11.015 1.00 0.00 C ATOM 1246 C PRO A 77 -1.942 -1.924 11.727 1.00 0.00 C ATOM 1247 O PRO A 77 -0.734 -1.724 11.850 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.608 -4.330 11.992 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.316 -5.069 11.905 1.00 0.00 C ATOM 1250 CD PRO A 77 -0.815 -4.895 10.471 1.00 0.00 C ATOM 0 HA PRO A 77 -3.404 -2.852 10.566 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.792 -3.974 13.006 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.448 -4.970 11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.594 -4.674 12.619 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.455 -6.124 12.143 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.268 -4.773 10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.056 -5.762 9.856 1.00 0.00 H new ATOM 1258 N GLY A 78 -2.868 -1.098 12.200 1.00 0.00 N ATOM 1259 CA GLY A 78 -2.508 0.122 12.908 1.00 0.00 C ATOM 1260 C GLY A 78 -2.040 1.204 11.943 1.00 0.00 C ATOM 1261 O GLY A 78 -0.993 1.077 11.309 1.00 0.00 O ATOM 0 H GLY A 78 -3.872 -1.252 12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.366 0.483 13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.718 -0.092 13.628 1.00 0.00 H new ATOM 1265 N VAL A 79 -2.830 2.266 11.840 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.502 3.376 10.951 1.00 0.00 C ATOM 1267 C VAL A 79 -1.136 3.965 11.292 1.00 0.00 C ATOM 1268 O VAL A 79 -0.815 4.181 12.461 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.568 4.465 11.066 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.821 4.039 10.301 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.923 4.678 12.541 1.00 0.00 C ATOM 0 H VAL A 79 -3.700 2.383 12.359 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.471 2.996 9.930 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.183 5.393 10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.580 4.817 10.384 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.572 3.886 9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.206 3.110 10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.683 5.455 12.624 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.307 3.748 12.961 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.032 4.983 13.089 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.338 4.228 10.261 1.00 0.00 N ATOM 1282 CA PHE A 80 0.989 4.800 10.460 1.00 0.00 C ATOM 1283 C PHE A 80 0.883 6.288 10.772 1.00 0.00 C ATOM 1284 O PHE A 80 0.182 7.023 10.076 1.00 0.00 O ATOM 1285 CB PHE A 80 1.839 4.600 9.208 1.00 0.00 C ATOM 1286 CG PHE A 80 2.216 5.943 8.630 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.430 6.518 7.624 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.352 6.612 9.101 1.00 0.00 C ATOM 1289 CE1 PHE A 80 1.782 7.763 7.089 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.704 7.857 8.565 1.00 0.00 C ATOM 1291 CZ PHE A 80 2.918 8.432 7.559 1.00 0.00 C ATOM 0 H PHE A 80 -0.585 4.056 9.286 1.00 0.00 H new ATOM 0 HA PHE A 80 1.462 4.293 11.301 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.737 4.033 9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.286 4.018 8.471 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.553 6.002 7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.957 6.168 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.176 8.208 6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.581 8.373 8.927 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.188 9.392 7.145 1.00 0.00 H new ATOM 1301 N ILE A 81 1.579 6.722 11.819 1.00 0.00 N ATOM 1302 CA ILE A 81 1.556 8.127 12.215 1.00 0.00 C ATOM 1303 C ILE A 81 2.957 8.725 12.127 1.00 0.00 C ATOM 1304 O ILE A 81 3.871 8.302 12.836 1.00 0.00 O ATOM 1305 CB ILE A 81 1.023 8.262 13.649 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.373 7.620 13.753 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.943 9.743 14.034 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -1.456 8.629 13.351 1.00 0.00 C ATOM 0 H ILE A 81 2.163 6.125 12.405 1.00 0.00 H new ATOM 0 HA ILE A 81 0.897 8.669 11.536 1.00 0.00 H new ATOM 0 HB ILE A 81 1.701 7.750 14.331 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.426 6.743 13.108 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.547 7.276 14.773 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.564 9.834 15.052 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.936 10.188 13.975 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.272 10.261 13.349 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.437 8.160 13.430 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.412 9.493 14.014 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.289 8.952 12.323 1.00 0.00 H new ATOM 1405 N GLY A 88 14.552 9.214 11.990 1.00 0.00 N ATOM 1406 CA GLY A 88 15.978 8.919 11.903 1.00 0.00 C ATOM 1407 C GLY A 88 16.249 7.444 12.171 1.00 0.00 C ATOM 1408 O GLY A 88 17.229 6.884 11.680 1.00 0.00 O ATOM 0 HA2 GLY A 88 16.348 9.186 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.524 9.529 12.623 1.00 0.00 H new ATOM 1412 N VAL A 89 15.377 6.819 12.955 1.00 0.00 N ATOM 1413 CA VAL A 89 15.532 5.412 13.281 1.00 0.00 C ATOM 1414 C VAL A 89 14.614 4.558 12.413 1.00 0.00 C ATOM 1415 O VAL A 89 13.563 5.019 11.965 1.00 0.00 O ATOM 1416 CB VAL A 89 15.216 5.192 14.762 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.499 6.480 15.539 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.743 4.809 14.938 1.00 0.00 C ATOM 0 H VAL A 89 14.560 7.265 13.373 1.00 0.00 H new ATOM 0 HA VAL A 89 16.562 5.114 13.085 1.00 0.00 H new ATOM 0 HB VAL A 89 15.842 4.384 15.141 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.274 6.325 16.594 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.549 6.749 15.427 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.875 7.284 15.150 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.531 4.655 15.996 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.111 5.609 14.554 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.538 3.890 14.390 1.00 0.00 H new ATOM 1428 N THR A 90 15.010 3.313 12.184 1.00 0.00 N ATOM 1429 CA THR A 90 14.205 2.407 11.374 1.00 0.00 C ATOM 1430 C THR A 90 13.344 1.522 12.271 1.00 0.00 C ATOM 1431 O THR A 90 13.774 1.128 13.355 1.00 0.00 O ATOM 1432 CB THR A 90 15.116 1.530 10.509 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.288 2.256 10.165 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.375 1.120 9.237 1.00 0.00 C ATOM 0 H THR A 90 15.875 2.910 12.543 1.00 0.00 H new ATOM 0 HA THR A 90 13.556 2.999 10.729 1.00 0.00 H new ATOM 0 HB THR A 90 15.395 0.637 11.068 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.871 1.694 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.024 0.496 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.479 0.559 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.093 2.012 8.677 1.00 0.00 H new ATOM 1442 N ASN A 91 12.130 1.212 11.815 1.00 0.00 N ATOM 1443 CA ASN A 91 11.225 0.372 12.593 1.00 0.00 C ATOM 1444 C ASN A 91 10.724 -0.800 11.754 1.00 0.00 C ATOM 1445 O ASN A 91 10.350 -0.634 10.592 1.00 0.00 O ATOM 1446 CB ASN A 91 10.036 1.198 13.088 1.00 0.00 C ATOM 1447 CG ASN A 91 10.092 2.604 12.499 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.558 2.847 11.418 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.709 3.551 13.153 1.00 0.00 N ATOM 0 H ASN A 91 11.755 1.527 10.920 1.00 0.00 H new ATOM 0 HA ASN A 91 11.773 -0.020 13.450 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.103 0.713 12.803 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.048 1.251 14.177 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.749 4.495 12.768 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.151 3.347 14.049 1.00 0.00 H new ATOM 1456 N ILE A 92 10.720 -1.987 12.355 1.00 0.00 N ATOM 1457 CA ILE A 92 10.264 -3.189 11.663 1.00 0.00 C ATOM 1458 C ILE A 92 8.774 -3.404 11.900 1.00 0.00 C ATOM 1459 O ILE A 92 8.346 -3.629 13.032 1.00 0.00 O ATOM 1460 CB ILE A 92 11.036 -4.410 12.167 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.508 -4.041 12.382 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.933 -5.539 11.141 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.056 -3.337 11.137 1.00 0.00 C ATOM 0 H ILE A 92 11.026 -2.142 13.316 1.00 0.00 H new ATOM 0 HA ILE A 92 10.443 -3.060 10.596 1.00 0.00 H new ATOM 0 HB ILE A 92 10.609 -4.741 13.114 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.606 -3.390 13.251 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.091 -4.939 12.589 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.483 -6.409 11.500 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.886 -5.806 10.998 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.356 -5.208 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.103 -3.078 11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.974 -4.002 10.277 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.482 -2.430 10.950 1.00 0.00 H new ATOM 1475 N LEU A 93 7.992 -3.332 10.827 1.00 0.00 N ATOM 1476 CA LEU A 93 6.551 -3.520 10.924 1.00 0.00 C ATOM 1477 C LEU A 93 6.134 -4.817 10.238 1.00 0.00 C ATOM 1478 O LEU A 93 6.444 -5.038 9.068 1.00 0.00 O ATOM 1479 CB LEU A 93 5.826 -2.340 10.266 1.00 0.00 C ATOM 1480 CG LEU A 93 5.686 -1.182 11.263 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.066 -0.617 11.619 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.837 -0.077 10.633 1.00 0.00 C ATOM 0 H LEU A 93 8.332 -3.145 9.884 1.00 0.00 H new ATOM 0 HA LEU A 93 6.280 -3.574 11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.379 -2.008 9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.841 -2.655 9.922 1.00 0.00 H new ATOM 0 HG LEU A 93 5.208 -1.550 12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.952 0.204 12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.675 -1.401 12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.554 -0.251 10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.734 0.749 11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.321 0.280 9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.850 -0.471 10.389 1.00 0.00 H new ATOM 1494 N LYS A 94 5.429 -5.668 10.972 1.00 0.00 N ATOM 1495 CA LYS A 94 4.969 -6.936 10.423 1.00 0.00 C ATOM 1496 C LYS A 94 3.616 -6.748 9.755 1.00 0.00 C ATOM 1497 O LYS A 94 2.624 -6.453 10.421 1.00 0.00 O ATOM 1498 CB LYS A 94 4.854 -7.976 11.537 1.00 0.00 C ATOM 1499 CG LYS A 94 6.187 -8.708 11.679 1.00 0.00 C ATOM 1500 CD LYS A 94 6.264 -9.373 13.052 1.00 0.00 C ATOM 1501 CE LYS A 94 7.565 -10.170 13.154 1.00 0.00 C ATOM 1502 NZ LYS A 94 7.605 -11.194 12.070 1.00 0.00 N ATOM 0 H LYS A 94 5.165 -5.504 11.943 1.00 0.00 H new ATOM 0 HA LYS A 94 5.690 -7.284 9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.589 -7.492 12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.058 -8.685 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.287 -9.458 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.013 -8.007 11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.224 -8.618 13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.408 -10.032 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.422 -9.501 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.633 -10.653 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.001 -12.080 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.641 -11.366 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.201 -10.851 11.290 1.00 0.00 H new ATOM 1516 N THR A 95 3.576 -6.907 8.435 1.00 0.00 N ATOM 1517 CA THR A 95 2.327 -6.731 7.710 1.00 0.00 C ATOM 1518 C THR A 95 1.556 -8.045 7.629 1.00 0.00 C ATOM 1519 O THR A 95 2.116 -9.122 7.833 1.00 0.00 O ATOM 1520 CB THR A 95 2.590 -6.190 6.298 1.00 0.00 C ATOM 1521 OG1 THR A 95 3.190 -7.206 5.508 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.516 -4.970 6.349 1.00 0.00 C ATOM 0 H THR A 95 4.379 -7.153 7.857 1.00 0.00 H new ATOM 0 HA THR A 95 1.723 -6.006 8.256 1.00 0.00 H new ATOM 0 HB THR A 95 1.640 -5.888 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.051 -7.460 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.689 -4.602 5.338 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.051 -4.185 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.467 -5.254 6.800 1.00 0.00 H new ATOM 1530 N THR A 96 0.264 -7.944 7.335 1.00 0.00 N ATOM 1531 CA THR A 96 -0.583 -9.125 7.237 1.00 0.00 C ATOM 1532 C THR A 96 -0.141 -10.019 6.072 1.00 0.00 C ATOM 1533 O THR A 96 -0.294 -11.238 6.125 1.00 0.00 O ATOM 1534 CB THR A 96 -2.053 -8.699 7.064 1.00 0.00 C ATOM 1535 OG1 THR A 96 -2.888 -9.591 7.788 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.438 -8.728 5.589 1.00 0.00 C ATOM 0 H THR A 96 -0.217 -7.061 7.161 1.00 0.00 H new ATOM 0 HA THR A 96 -0.486 -9.702 8.157 1.00 0.00 H new ATOM 0 HB THR A 96 -2.178 -7.685 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.824 -9.322 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.479 -8.425 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.800 -8.042 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.311 -9.738 5.200 1.00 0.00 H new ATOM 1544 N GLN A 97 0.401 -9.402 5.021 1.00 0.00 N ATOM 1545 CA GLN A 97 0.846 -10.149 3.850 1.00 0.00 C ATOM 1546 C GLN A 97 1.797 -11.270 4.264 1.00 0.00 C ATOM 1547 O GLN A 97 1.988 -12.237 3.526 1.00 0.00 O ATOM 1548 CB GLN A 97 1.562 -9.201 2.881 1.00 0.00 C ATOM 1549 CG GLN A 97 2.355 -10.008 1.848 1.00 0.00 C ATOM 1550 CD GLN A 97 2.739 -9.118 0.668 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.655 -7.825 0.786 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 3.129 -9.617 -0.385 1.00 0.00 N flip ATOM 0 H GLN A 97 0.541 -8.394 4.959 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.023 -10.588 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.834 -8.565 2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.233 -8.542 3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.252 -10.421 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.759 -10.851 1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.194 -10.631 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.388 -9.017 -1.169 1.00 0.00 H new ATOM 1561 N GLY A 98 2.386 -11.138 5.450 1.00 0.00 N ATOM 1562 CA GLY A 98 3.308 -12.152 5.950 1.00 0.00 C ATOM 1563 C GLY A 98 4.754 -11.724 5.737 1.00 0.00 C ATOM 1564 O GLY A 98 5.664 -12.553 5.740 1.00 0.00 O ATOM 0 H GLY A 98 2.243 -10.346 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.127 -12.322 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.126 -13.098 5.440 1.00 0.00 H new ATOM 1568 N SER A 99 4.958 -10.425 5.549 1.00 0.00 N ATOM 1569 CA SER A 99 6.299 -9.894 5.334 1.00 0.00 C ATOM 1570 C SER A 99 6.526 -8.647 6.181 1.00 0.00 C ATOM 1571 O SER A 99 5.582 -7.925 6.509 1.00 0.00 O ATOM 1572 CB SER A 99 6.490 -9.551 3.856 1.00 0.00 C ATOM 1573 OG SER A 99 5.534 -8.571 3.474 1.00 0.00 O ATOM 0 H SER A 99 4.217 -9.724 5.541 1.00 0.00 H new ATOM 0 HA SER A 99 7.023 -10.654 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.499 -9.177 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.374 -10.446 3.245 1.00 0.00 H new ATOM 0 HG SER A 99 5.655 -8.348 2.527 1.00 0.00 H new ATOM 1579 N LYS A 100 7.784 -8.397 6.531 1.00 0.00 N ATOM 1580 CA LYS A 100 8.120 -7.231 7.339 1.00 0.00 C ATOM 1581 C LYS A 100 8.563 -6.079 6.450 1.00 0.00 C ATOM 1582 O LYS A 100 9.214 -6.288 5.427 1.00 0.00 O ATOM 1583 CB LYS A 100 9.241 -7.571 8.323 1.00 0.00 C ATOM 1584 CG LYS A 100 10.366 -8.308 7.586 1.00 0.00 C ATOM 1585 CD LYS A 100 10.356 -9.794 7.966 1.00 0.00 C ATOM 1586 CE LYS A 100 11.552 -10.490 7.313 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.492 -11.954 7.588 1.00 0.00 N ATOM 0 H LYS A 100 8.580 -8.980 6.271 1.00 0.00 H new ATOM 0 HA LYS A 100 7.230 -6.934 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.627 -6.659 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.854 -8.192 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.239 -8.199 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.329 -7.866 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.403 -9.905 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.426 -10.259 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.547 -10.312 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.483 -10.075 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.306 -12.424 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.518 -12.116 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.611 -12.345 7.198 1.00 0.00 H new ATOM 1601 N ILE A 101 8.206 -4.864 6.853 1.00 0.00 N ATOM 1602 CA ILE A 101 8.572 -3.677 6.093 1.00 0.00 C ATOM 1603 C ILE A 101 9.323 -2.688 6.984 1.00 0.00 C ATOM 1604 O ILE A 101 8.968 -2.492 8.147 1.00 0.00 O ATOM 1605 CB ILE A 101 7.311 -3.029 5.515 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.719 -1.875 4.593 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.428 -2.506 6.652 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.488 -1.300 3.881 1.00 0.00 C ATOM 0 H ILE A 101 7.666 -4.677 7.698 1.00 0.00 H new ATOM 0 HA ILE A 101 9.230 -3.965 5.273 1.00 0.00 H new ATOM 0 HB ILE A 101 6.747 -3.767 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.210 -1.094 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.442 -2.227 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.532 -2.046 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.142 -3.334 7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.980 -1.765 7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.794 -0.481 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.015 -2.080 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.779 -0.929 4.622 1.00 0.00 H new ATOM 1620 N PHE A 102 10.372 -2.081 6.433 1.00 0.00 N ATOM 1621 CA PHE A 102 11.182 -1.123 7.185 1.00 0.00 C ATOM 1622 C PHE A 102 10.677 0.297 6.960 1.00 0.00 C ATOM 1623 O PHE A 102 10.684 0.795 5.833 1.00 0.00 O ATOM 1624 CB PHE A 102 12.645 -1.218 6.750 1.00 0.00 C ATOM 1625 CG PHE A 102 12.960 -2.634 6.329 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.739 -2.867 5.189 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.475 -3.714 7.078 1.00 0.00 C ATOM 1628 CE1 PHE A 102 14.030 -4.179 4.797 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.767 -5.024 6.687 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.546 -5.258 5.546 1.00 0.00 C ATOM 0 H PHE A 102 10.681 -2.234 5.473 1.00 0.00 H new ATOM 0 HA PHE A 102 11.102 -1.364 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.834 -0.532 5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.298 -0.918 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.115 -2.035 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.875 -3.534 7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.628 -4.359 3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.392 -5.856 7.265 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.773 -6.270 5.245 1.00 0.00 H new ATOM 1640 N LEU A 103 10.234 0.941 8.037 1.00 0.00 N ATOM 1641 CA LEU A 103 9.718 2.303 7.944 1.00 0.00 C ATOM 1642 C LEU A 103 10.672 3.280 8.617 1.00 0.00 C ATOM 1643 O LEU A 103 11.197 3.005 9.695 1.00 0.00 O ATOM 1644 CB LEU A 103 8.346 2.393 8.628 1.00 0.00 C ATOM 1645 CG LEU A 103 7.215 2.220 7.605 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.109 3.454 6.715 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.479 0.996 6.731 1.00 0.00 C ATOM 0 H LEU A 103 10.222 0.545 8.977 1.00 0.00 H new ATOM 0 HA LEU A 103 9.622 2.561 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.267 1.625 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.246 3.356 9.128 1.00 0.00 H new ATOM 0 HG LEU A 103 6.280 2.086 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.302 3.315 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.900 4.329 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.049 3.601 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.670 0.883 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.423 1.124 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.532 0.106 7.358 1.00 0.00 H new ATOM 1659 N LYS A 104 10.889 4.423 7.977 1.00 0.00 N ATOM 1660 CA LYS A 104 11.778 5.433 8.533 1.00 0.00 C ATOM 1661 C LYS A 104 11.366 6.822 8.055 1.00 0.00 C ATOM 1662 O LYS A 104 11.158 7.041 6.863 1.00 0.00 O ATOM 1663 CB LYS A 104 13.221 5.130 8.121 1.00 0.00 C ATOM 1664 CG LYS A 104 14.073 6.408 8.215 1.00 0.00 C ATOM 1665 CD LYS A 104 15.568 6.059 8.185 1.00 0.00 C ATOM 1666 CE LYS A 104 16.027 5.882 6.734 1.00 0.00 C ATOM 1667 NZ LYS A 104 16.598 7.165 6.235 1.00 0.00 N ATOM 0 H LYS A 104 10.466 4.671 7.082 1.00 0.00 H new ATOM 0 HA LYS A 104 11.708 5.412 9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.638 4.357 8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.244 4.742 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.832 7.075 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.837 6.943 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.146 6.849 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.749 5.144 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.774 5.090 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.187 5.578 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.910 7.046 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.873 7.909 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.410 7.436 6.825 1.00 0.00 H new ATOM 1681 N GLU A 105 11.243 7.754 8.997 1.00 0.00 N ATOM 1682 CA GLU A 105 10.849 9.120 8.669 1.00 0.00 C ATOM 1683 C GLU A 105 11.967 10.098 9.013 1.00 0.00 C ATOM 1684 O GLU A 105 12.586 10.001 10.071 1.00 0.00 O ATOM 1685 CB GLU A 105 9.581 9.497 9.441 1.00 0.00 C ATOM 1686 CG GLU A 105 8.903 10.694 8.768 1.00 0.00 C ATOM 1687 CD GLU A 105 7.609 11.038 9.498 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.444 10.580 10.617 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.802 11.754 8.929 1.00 0.00 O ATOM 0 H GLU A 105 11.410 7.588 9.990 1.00 0.00 H new ATOM 0 HA GLU A 105 10.652 9.175 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.897 8.649 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.831 9.742 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.574 11.553 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.691 10.463 7.724 1.00 0.00 H new ATOM 1696 N VAL A 106 12.220 11.037 8.108 1.00 0.00 N ATOM 1697 CA VAL A 106 13.265 12.032 8.317 1.00 0.00 C ATOM 1698 C VAL A 106 12.836 13.380 7.748 1.00 0.00 C ATOM 1699 O VAL A 106 12.164 13.439 6.720 1.00 0.00 O ATOM 1700 CB VAL A 106 14.559 11.584 7.638 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.538 12.757 7.583 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.180 10.434 8.431 1.00 0.00 C ATOM 0 H VAL A 106 11.717 11.130 7.225 1.00 0.00 H new ATOM 0 HA VAL A 106 13.434 12.134 9.389 1.00 0.00 H new ATOM 0 HB VAL A 106 14.340 11.247 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.461 12.438 7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.094 13.575 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.758 13.095 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.103 10.115 7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.399 10.768 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.481 9.598 8.467 1.00 0.00 H new ATOM 1712 N ASN A 107 13.230 14.457 8.421 1.00 0.00 N ATOM 1713 CA ASN A 107 12.881 15.801 7.968 1.00 0.00 C ATOM 1714 C ASN A 107 11.414 15.868 7.557 1.00 0.00 C ATOM 1715 O ASN A 107 11.068 16.492 6.553 1.00 0.00 O ATOM 1716 CB ASN A 107 13.762 16.201 6.783 1.00 0.00 C ATOM 1717 CG ASN A 107 15.197 16.422 7.251 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.423 16.860 8.379 1.00 0.00 O ATOM 1719 ND2 ASN A 107 16.186 16.145 6.445 1.00 0.00 N ATOM 0 H ASN A 107 13.787 14.427 9.275 1.00 0.00 H new ATOM 0 HA ASN A 107 13.047 16.493 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.735 15.423 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.376 17.111 6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.148 16.291 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.996 15.782 5.511 1.00 0.00 H new ATOM 1726 N ASP A 108 10.555 15.223 8.339 1.00 0.00 N ATOM 1727 CA ASP A 108 9.127 15.218 8.045 1.00 0.00 C ATOM 1728 C ASP A 108 8.857 14.573 6.687 1.00 0.00 C ATOM 1729 O ASP A 108 7.912 14.946 5.991 1.00 0.00 O ATOM 1730 CB ASP A 108 8.587 16.651 8.051 1.00 0.00 C ATOM 1731 CG ASP A 108 9.365 17.498 9.052 1.00 0.00 C ATOM 1732 OD1 ASP A 108 9.099 17.374 10.237 1.00 0.00 O ATOM 1733 OD2 ASP A 108 10.215 18.260 8.622 1.00 0.00 O ATOM 0 H ASP A 108 10.820 14.701 9.174 1.00 0.00 H new ATOM 0 HA ASP A 108 8.620 14.636 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.670 17.084 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.528 16.648 8.310 1.00 0.00 H new ATOM 1738 N THR A 109 9.692 13.602 6.321 1.00 0.00 N ATOM 1739 CA THR A 109 9.538 12.901 5.046 1.00 0.00 C ATOM 1740 C THR A 109 9.438 11.398 5.270 1.00 0.00 C ATOM 1741 O THR A 109 10.267 10.809 5.963 1.00 0.00 O ATOM 1742 CB THR A 109 10.727 13.194 4.129 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.981 14.593 4.117 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.400 12.718 2.711 1.00 0.00 C ATOM 0 H THR A 109 10.479 13.283 6.886 1.00 0.00 H new ATOM 0 HA THR A 109 8.621 13.256 4.576 1.00 0.00 H new ATOM 0 HB THR A 109 11.611 12.670 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.377 14.861 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.245 12.925 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.204 11.646 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.518 13.244 2.345 1.00 0.00 H new ATOM 1752 N LEU A 110 8.423 10.780 4.675 1.00 0.00 N ATOM 1753 CA LEU A 110 8.237 9.343 4.820 1.00 0.00 C ATOM 1754 C LEU A 110 9.216 8.580 3.935 1.00 0.00 C ATOM 1755 O LEU A 110 9.125 8.621 2.700 1.00 0.00 O ATOM 1756 CB LEU A 110 6.805 8.946 4.449 1.00 0.00 C ATOM 1757 CG LEU A 110 6.388 7.681 5.214 1.00 0.00 C ATOM 1758 CD1 LEU A 110 5.041 7.184 4.693 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.421 6.572 5.013 1.00 0.00 C ATOM 0 H LEU A 110 7.725 11.246 4.095 1.00 0.00 H new ATOM 0 HA LEU A 110 8.424 9.086 5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.122 9.762 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.736 8.770 3.376 1.00 0.00 H new ATOM 0 HG LEU A 110 6.317 7.929 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.749 6.287 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.287 7.958 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.125 6.952 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.111 5.682 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.499 6.335 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.390 6.906 5.382 1.00 0.00 H new ATOM 1771 N LEU A 111 10.139 7.873 4.580 1.00 0.00 N ATOM 1772 CA LEU A 111 11.127 7.081 3.875 1.00 0.00 C ATOM 1773 C LEU A 111 11.029 5.620 4.286 1.00 0.00 C ATOM 1774 O LEU A 111 11.403 5.229 5.393 1.00 0.00 O ATOM 1775 CB LEU A 111 12.542 7.613 4.146 1.00 0.00 C ATOM 1776 CG LEU A 111 12.653 9.061 3.661 1.00 0.00 C ATOM 1777 CD1 LEU A 111 14.071 9.572 3.845 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.326 9.134 2.179 1.00 0.00 C ATOM 0 H LEU A 111 10.219 7.836 5.596 1.00 0.00 H new ATOM 0 HA LEU A 111 10.926 7.159 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.763 7.559 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.278 6.991 3.636 1.00 0.00 H new ATOM 0 HG LEU A 111 11.956 9.666 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.135 10.603 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.339 9.529 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.759 8.951 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.406 10.167 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.026 8.513 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.310 8.775 2.012 1.00 0.00 H new ATOM 1790 N VAL A 112 10.533 4.821 3.364 1.00 0.00 N ATOM 1791 CA VAL A 112 10.396 3.392 3.594 1.00 0.00 C ATOM 1792 C VAL A 112 11.611 2.680 3.008 1.00 0.00 C ATOM 1793 O VAL A 112 11.819 2.691 1.796 1.00 0.00 O ATOM 1794 CB VAL A 112 9.100 2.855 2.954 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.696 3.707 1.739 1.00 0.00 C ATOM 1796 CG2 VAL A 112 9.305 1.395 2.519 1.00 0.00 C ATOM 0 H VAL A 112 10.217 5.134 2.446 1.00 0.00 H new ATOM 0 HA VAL A 112 10.340 3.204 4.666 1.00 0.00 H new ATOM 0 HB VAL A 112 8.301 2.908 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.779 3.309 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.530 4.737 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.492 3.680 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.388 1.018 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.116 1.342 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.557 0.788 3.389 1.00 0.00 H new ATOM 1806 N ASN A 113 12.417 2.077 3.873 1.00 0.00 N ATOM 1807 CA ASN A 113 13.614 1.380 3.419 1.00 0.00 C ATOM 1808 C ASN A 113 14.505 2.313 2.595 1.00 0.00 C ATOM 1809 O ASN A 113 15.201 1.871 1.681 1.00 0.00 O ATOM 1810 CB ASN A 113 13.228 0.159 2.583 1.00 0.00 C ATOM 1811 CG ASN A 113 14.462 -0.700 2.316 1.00 0.00 C ATOM 1812 OD1 ASN A 113 15.618 -0.332 2.799 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 14.369 -1.732 1.653 1.00 0.00 N flip ATOM 0 H ASN A 113 12.267 2.056 4.882 1.00 0.00 H new ATOM 0 HA ASN A 113 14.172 1.052 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.473 -0.427 3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.786 0.479 1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.465 -2.017 1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 113 15.196 -2.303 1.479 1.00 0.00 H new ATOM 1820 N GLU A 114 14.486 3.601 2.937 1.00 0.00 N ATOM 1821 CA GLU A 114 15.305 4.596 2.240 1.00 0.00 C ATOM 1822 C GLU A 114 14.704 4.990 0.891 1.00 0.00 C ATOM 1823 O GLU A 114 15.416 5.473 0.012 1.00 0.00 O ATOM 1824 CB GLU A 114 16.716 4.046 2.017 1.00 0.00 C ATOM 1825 CG GLU A 114 17.731 5.173 2.216 1.00 0.00 C ATOM 1826 CD GLU A 114 19.129 4.692 1.846 1.00 0.00 C ATOM 1827 OE1 GLU A 114 20.054 5.479 1.962 1.00 0.00 O ATOM 1828 OE2 GLU A 114 19.256 3.544 1.453 1.00 0.00 O ATOM 0 H GLU A 114 13.914 3.981 3.691 1.00 0.00 H new ATOM 0 HA GLU A 114 15.340 5.485 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.917 3.232 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.804 3.634 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.459 6.031 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.716 5.507 3.253 1.00 0.00 H new ATOM 1835 N LEU A 115 13.406 4.757 0.723 1.00 0.00 N ATOM 1836 CA LEU A 115 12.727 5.059 -0.506 1.00 0.00 C ATOM 1837 C LEU A 115 11.736 6.194 -0.312 1.00 0.00 C ATOM 1838 O LEU A 115 10.841 6.126 0.528 1.00 0.00 O ATOM 1839 CB LEU A 115 12.003 3.790 -0.906 1.00 0.00 C ATOM 1840 CG LEU A 115 11.704 3.733 -2.385 1.00 0.00 C ATOM 1841 CD1 LEU A 115 10.770 4.881 -2.800 1.00 0.00 C ATOM 1842 CD2 LEU A 115 12.996 3.767 -3.208 1.00 0.00 C ATOM 0 H LEU A 115 12.806 4.353 1.443 1.00 0.00 H new ATOM 0 HA LEU A 115 13.430 5.381 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.609 2.928 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.070 3.717 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 115 11.197 2.789 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.569 4.818 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.832 4.804 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.245 5.836 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.752 3.725 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.538 4.689 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.618 2.912 -2.944 1.00 0.00 H new ATOM 1854 N LYS A 116 11.913 7.235 -1.100 1.00 0.00 N ATOM 1855 CA LYS A 116 11.059 8.395 -1.035 1.00 0.00 C ATOM 1856 C LYS A 116 9.627 8.041 -1.414 1.00 0.00 C ATOM 1857 O LYS A 116 9.381 7.493 -2.486 1.00 0.00 O ATOM 1858 CB LYS A 116 11.593 9.448 -2.003 1.00 0.00 C ATOM 1859 CG LYS A 116 12.588 10.364 -1.289 1.00 0.00 C ATOM 1860 CD LYS A 116 11.845 11.484 -0.553 1.00 0.00 C ATOM 1861 CE LYS A 116 12.862 12.471 0.017 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.745 12.961 -1.079 1.00 0.00 N ATOM 0 H LYS A 116 12.652 7.297 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 116 11.057 8.777 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.078 8.962 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.768 10.037 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.182 9.786 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.282 10.793 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.166 11.996 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.236 11.067 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.348 13.309 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.459 11.989 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.089 13.915 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.555 12.317 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.208 12.993 -1.969 1.00 0.00 H new ATOM 1876 N SER A 117 8.683 8.363 -0.538 1.00 0.00 N ATOM 1877 CA SER A 117 7.283 8.070 -0.826 1.00 0.00 C ATOM 1878 C SER A 117 6.682 9.159 -1.705 1.00 0.00 C ATOM 1879 O SER A 117 7.049 10.330 -1.601 1.00 0.00 O ATOM 1880 CB SER A 117 6.486 7.968 0.469 1.00 0.00 C ATOM 1881 OG SER A 117 6.511 9.224 1.129 1.00 0.00 O ATOM 0 H SER A 117 8.854 8.817 0.359 1.00 0.00 H new ATOM 0 HA SER A 117 7.236 7.117 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.458 7.675 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.910 7.197 1.112 1.00 0.00 H new ATOM 0 HG SER A 117 5.628 9.410 1.512 1.00 0.00 H new ATOM 1887 N LYS A 118 5.754 8.765 -2.568 1.00 0.00 N ATOM 1888 CA LYS A 118 5.101 9.714 -3.458 1.00 0.00 C ATOM 1889 C LYS A 118 4.020 10.481 -2.704 1.00 0.00 C ATOM 1890 O LYS A 118 3.781 11.659 -2.968 1.00 0.00 O ATOM 1891 CB LYS A 118 4.477 8.971 -4.642 1.00 0.00 C ATOM 1892 CG LYS A 118 5.428 9.029 -5.844 1.00 0.00 C ATOM 1893 CD LYS A 118 5.370 10.415 -6.498 1.00 0.00 C ATOM 1894 CE LYS A 118 6.791 10.953 -6.679 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.760 12.167 -7.546 1.00 0.00 N ATOM 0 H LYS A 118 5.439 7.800 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 118 5.844 10.420 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.280 7.934 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.518 9.420 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.447 8.813 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.155 8.264 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.867 10.353 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.787 11.097 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.224 11.197 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.425 10.189 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.726 12.531 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.363 11.920 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.169 12.897 -7.100 1.00 0.00 H new ATOM 1909 N GLU A 119 3.375 9.803 -1.758 1.00 0.00 N ATOM 1910 CA GLU A 119 2.324 10.428 -0.962 1.00 0.00 C ATOM 1911 C GLU A 119 1.848 9.468 0.118 1.00 0.00 C ATOM 1912 O GLU A 119 1.759 8.269 -0.109 1.00 0.00 O ATOM 1913 CB GLU A 119 1.140 10.820 -1.852 1.00 0.00 C ATOM 1914 CG GLU A 119 0.664 12.224 -1.477 1.00 0.00 C ATOM 1915 CD GLU A 119 1.662 13.263 -1.976 1.00 0.00 C ATOM 1916 OE1 GLU A 119 1.627 13.570 -3.156 1.00 0.00 O ATOM 1917 OE2 GLU A 119 2.446 13.737 -1.171 1.00 0.00 O ATOM 0 H GLU A 119 3.560 8.827 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 119 2.732 11.325 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.435 10.792 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.327 10.104 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.318 12.412 -1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.554 12.303 -0.395 1.00 0.00 H new ATOM 1924 N SER A 120 1.547 10.000 1.292 1.00 0.00 N ATOM 1925 CA SER A 120 1.085 9.166 2.393 1.00 0.00 C ATOM 1926 C SER A 120 0.521 10.031 3.507 1.00 0.00 C ATOM 1927 O SER A 120 0.727 11.243 3.522 1.00 0.00 O ATOM 1928 CB SER A 120 2.242 8.331 2.934 1.00 0.00 C ATOM 1929 OG SER A 120 3.256 9.200 3.417 1.00 0.00 O ATOM 0 H SER A 120 1.613 10.995 1.507 1.00 0.00 H new ATOM 0 HA SER A 120 0.302 8.504 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.893 7.679 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.640 7.688 2.150 1.00 0.00 H new ATOM 0 HG SER A 120 4.088 9.038 2.925 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.186 9.401 4.439 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.774 10.132 5.563 1.00 0.00 C ATOM 1937 C ASP A 121 -2.070 10.802 5.137 1.00 0.00 C ATOM 1938 O ASP A 121 -2.650 11.592 5.883 1.00 0.00 O ATOM 1939 CB ASP A 121 0.201 11.200 6.069 1.00 0.00 C ATOM 1940 CG ASP A 121 0.026 11.405 7.569 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -1.110 11.468 8.011 1.00 0.00 O ATOM 1942 OD2 ASP A 121 1.031 11.502 8.253 1.00 0.00 O ATOM 0 H ASP A 121 -0.366 8.397 4.442 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.980 9.421 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.226 10.899 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.028 12.139 5.544 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.522 10.478 3.935 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.752 11.049 3.419 1.00 0.00 C ATOM 1949 C ILE A 122 -4.845 11.000 4.483 1.00 0.00 C ATOM 1950 O ILE A 122 -5.739 11.847 4.509 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.176 10.275 2.175 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.376 10.772 0.965 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.665 10.483 1.926 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.879 10.573 1.218 1.00 0.00 C ATOM 0 H ILE A 122 -2.057 9.826 3.303 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.588 12.093 3.154 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.981 9.213 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.678 10.229 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.587 11.826 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.966 9.929 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.231 10.125 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.864 11.544 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.314 10.927 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.582 11.136 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.674 9.514 1.376 1.00 0.00 H new ATOM 1966 N MET A 123 -4.766 9.992 5.345 1.00 0.00 N ATOM 1967 CA MET A 123 -5.748 9.808 6.414 1.00 0.00 C ATOM 1968 C MET A 123 -7.142 9.633 5.827 1.00 0.00 C ATOM 1969 O MET A 123 -7.767 10.594 5.383 1.00 0.00 O ATOM 1970 CB MET A 123 -5.736 10.999 7.384 1.00 0.00 C ATOM 1971 CG MET A 123 -4.442 10.988 8.201 1.00 0.00 C ATOM 1972 SD MET A 123 -4.816 10.558 9.922 1.00 0.00 S ATOM 1973 CE MET A 123 -5.179 8.805 9.657 1.00 0.00 C ATOM 0 H MET A 123 -4.030 9.286 5.326 1.00 0.00 H new ATOM 0 HA MET A 123 -5.478 8.909 6.968 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.818 11.933 6.829 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.598 10.947 8.049 1.00 0.00 H new ATOM 0 HG2 MET A 123 -3.740 10.269 7.780 1.00 0.00 H new ATOM 0 HG3 MET A 123 -3.962 11.966 8.155 1.00 0.00 H new ATOM 0 HE1 MET A 123 -5.176 8.284 10.614 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.159 8.703 9.191 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.421 8.371 9.005 1.00 0.00 H new ATOM 1983 N THR A 124 -7.618 8.393 5.828 1.00 0.00 N ATOM 1984 CA THR A 124 -8.939 8.090 5.292 1.00 0.00 C ATOM 1985 C THR A 124 -9.970 8.024 6.410 1.00 0.00 C ATOM 1986 O THR A 124 -9.661 8.293 7.571 1.00 0.00 O ATOM 1987 CB THR A 124 -8.909 6.751 4.549 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.409 5.744 5.416 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.005 6.864 3.322 1.00 0.00 C ATOM 0 H THR A 124 -7.112 7.586 6.192 1.00 0.00 H new ATOM 0 HA THR A 124 -9.218 8.885 4.601 1.00 0.00 H new ATOM 0 HB THR A 124 -9.918 6.490 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 124 -7.719 5.225 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.986 5.910 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.389 7.638 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 124 -6.995 7.125 3.637 1.00 0.00 H new ATOM 1997 N THR A 125 -11.197 7.666 6.052 1.00 0.00 N ATOM 1998 CA THR A 125 -12.269 7.569 7.031 1.00 0.00 C ATOM 1999 C THR A 125 -12.277 6.194 7.696 1.00 0.00 C ATOM 2000 O THR A 125 -13.058 5.949 8.615 1.00 0.00 O ATOM 2001 CB THR A 125 -13.615 7.822 6.352 1.00 0.00 C ATOM 2002 OG1 THR A 125 -13.792 6.888 5.296 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.644 9.244 5.788 1.00 0.00 C ATOM 0 H THR A 125 -11.472 7.439 5.096 1.00 0.00 H new ATOM 0 HA THR A 125 -12.101 8.323 7.800 1.00 0.00 H new ATOM 0 HB THR A 125 -14.418 7.706 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.579 7.137 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.604 9.424 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.506 9.960 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 125 -12.842 9.363 5.059 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.405 5.301 7.228 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.325 3.955 7.794 1.00 0.00 C ATOM 2013 C ASN A 126 -9.885 3.594 8.142 1.00 0.00 C ATOM 2014 O ASN A 126 -9.634 2.555 8.746 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.871 2.929 6.801 1.00 0.00 C ATOM 2016 CG ASN A 126 -13.222 3.384 6.262 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -13.860 4.261 6.844 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -13.699 2.836 5.179 1.00 0.00 N ATOM 0 H ASN A 126 -10.751 5.482 6.467 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.925 3.941 8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.168 2.799 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.974 1.959 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.603 3.134 4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.168 2.109 4.699 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.944 4.452 7.763 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.533 4.195 8.049 1.00 0.00 C ATOM 2027 C GLY A 127 -6.641 5.215 7.352 1.00 0.00 C ATOM 2028 O GLY A 127 -6.989 6.392 7.266 1.00 0.00 O ATOM 0 H GLY A 127 -9.127 5.322 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.363 4.233 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.269 3.190 7.720 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.488 4.761 6.856 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.560 5.662 6.167 1.00 0.00 C ATOM 2034 C VAL A 128 -4.095 5.062 4.849 1.00 0.00 C ATOM 2035 O VAL A 128 -4.286 3.872 4.597 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.342 5.935 7.050 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.423 4.712 7.041 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.565 7.148 6.525 1.00 0.00 C ATOM 0 H VAL A 128 -5.177 3.791 6.916 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.087 6.594 5.964 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.683 6.140 8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.554 4.905 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.964 3.847 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.095 4.511 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.701 7.331 7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.229 6.952 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.212 8.025 6.531 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.482 5.897 4.012 1.00 0.00 N ATOM 2049 CA ILE A 129 -2.987 5.444 2.719 1.00 0.00 C ATOM 2050 C ILE A 129 -1.502 5.785 2.548 1.00 0.00 C ATOM 2051 O ILE A 129 -1.032 6.830 3.016 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.814 6.098 1.594 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -4.851 5.097 1.074 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -2.909 6.537 0.430 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -5.851 5.817 0.161 1.00 0.00 C ATOM 0 H ILE A 129 -3.318 6.885 4.207 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.092 4.360 2.666 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.312 6.978 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -4.355 4.296 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.375 4.634 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.517 6.995 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.177 7.259 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.392 5.668 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -6.587 5.103 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.357 6.602 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.321 6.259 -0.683 1.00 0.00 H new ATOM 2067 N HIS A 130 -0.778 4.906 1.846 1.00 0.00 N ATOM 2068 CA HIS A 130 0.639 5.128 1.576 1.00 0.00 C ATOM 2069 C HIS A 130 0.919 4.879 0.097 1.00 0.00 C ATOM 2070 O HIS A 130 0.840 3.750 -0.384 1.00 0.00 O ATOM 2071 CB HIS A 130 1.496 4.198 2.441 1.00 0.00 C ATOM 2072 CG HIS A 130 2.963 4.543 2.337 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.725 5.108 1.338 1.00 0.00 N flip ATOM 2074 CD2 HIS A 130 3.847 4.261 3.366 1.00 0.00 C flip ATOM 2075 CE1 HIS A 130 5.054 5.175 1.747 1.00 0.00 C flip ATOM 2076 NE2 HIS A 130 5.071 4.649 2.972 1.00 0.00 N flip ATOM 0 H HIS A 130 -1.151 4.040 1.458 1.00 0.00 H new ATOM 0 HA HIS A 130 0.894 6.159 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 130 1.177 4.270 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 130 1.341 3.165 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.597 3.810 4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.892 5.569 1.191 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.912 4.553 3.541 1.00 0.00 H new ATOM 2085 N VAL A 131 1.257 5.953 -0.605 1.00 0.00 N ATOM 2086 CA VAL A 131 1.565 5.882 -2.030 1.00 0.00 C ATOM 2087 C VAL A 131 3.063 5.889 -2.252 1.00 0.00 C ATOM 2088 O VAL A 131 3.766 6.804 -1.818 1.00 0.00 O ATOM 2089 CB VAL A 131 0.937 7.063 -2.768 1.00 0.00 C ATOM 2090 CG1 VAL A 131 1.116 6.870 -4.274 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.557 7.150 -2.442 1.00 0.00 C ATOM 0 H VAL A 131 1.325 6.890 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 131 1.152 4.952 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 131 1.426 7.984 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.669 7.711 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.179 6.816 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.628 5.946 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -0.997 7.995 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.051 6.230 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.688 7.288 -1.369 1.00 0.00 H new ATOM 2101 N VAL A 132 3.539 4.858 -2.940 1.00 0.00 N ATOM 2102 CA VAL A 132 4.978 4.747 -3.227 1.00 0.00 C ATOM 2103 C VAL A 132 5.229 4.698 -4.728 1.00 0.00 C ATOM 2104 O VAL A 132 4.292 4.704 -5.525 1.00 0.00 O ATOM 2105 CB VAL A 132 5.555 3.497 -2.554 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.447 3.627 -1.029 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.773 2.266 -3.009 1.00 0.00 C ATOM 0 H VAL A 132 2.968 4.096 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 132 5.477 5.629 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 132 6.603 3.394 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.859 2.735 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 132 6.005 4.503 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.400 3.736 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.183 1.377 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.725 2.377 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.852 2.164 -4.091 1.00 0.00 H new ATOM 2117 N ASP A 133 6.506 4.669 -5.105 1.00 0.00 N ATOM 2118 CA ASP A 133 6.880 4.635 -6.514 1.00 0.00 C ATOM 2119 C ASP A 133 7.614 3.340 -6.840 1.00 0.00 C ATOM 2120 O ASP A 133 8.575 3.337 -7.610 1.00 0.00 O ATOM 2121 CB ASP A 133 7.774 5.831 -6.849 1.00 0.00 C ATOM 2122 CG ASP A 133 8.892 5.954 -5.820 1.00 0.00 C ATOM 2123 OD1 ASP A 133 10.044 5.903 -6.219 1.00 0.00 O ATOM 2124 OD2 ASP A 133 8.581 6.101 -4.650 1.00 0.00 O ATOM 0 H ASP A 133 7.294 4.668 -4.457 1.00 0.00 H new ATOM 0 HA ASP A 133 5.971 4.686 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.198 5.710 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.181 6.745 -6.864 1.00 0.00 H new ATOM 2129 N LYS A 134 7.154 2.239 -6.253 1.00 0.00 N ATOM 2130 CA LYS A 134 7.773 0.943 -6.496 1.00 0.00 C ATOM 2131 C LYS A 134 6.951 -0.181 -5.875 1.00 0.00 C ATOM 2132 O LYS A 134 6.118 0.057 -5.004 1.00 0.00 O ATOM 2133 CB LYS A 134 9.187 0.918 -5.918 1.00 0.00 C ATOM 2134 CG LYS A 134 9.127 1.135 -4.403 1.00 0.00 C ATOM 2135 CD LYS A 134 9.705 -0.087 -3.684 1.00 0.00 C ATOM 2136 CE LYS A 134 11.187 -0.230 -4.030 1.00 0.00 C ATOM 2137 NZ LYS A 134 11.993 -0.210 -2.777 1.00 0.00 N ATOM 0 H LYS A 134 6.361 2.219 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 134 7.817 0.789 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.665 -0.036 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.795 1.694 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.689 2.029 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.096 1.299 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.581 0.020 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.164 -0.986 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.357 -1.161 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.498 0.581 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.002 -0.307 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.838 0.690 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.702 -0.999 -2.165 1.00 0.00 H new ATOM 2151 N LEU A 135 7.205 -1.404 -6.319 1.00 0.00 N ATOM 2152 CA LEU A 135 6.488 -2.562 -5.794 1.00 0.00 C ATOM 2153 C LEU A 135 7.362 -3.326 -4.807 1.00 0.00 C ATOM 2154 O LEU A 135 8.480 -3.723 -5.133 1.00 0.00 O ATOM 2155 CB LEU A 135 6.082 -3.497 -6.938 1.00 0.00 C ATOM 2156 CG LEU A 135 5.119 -4.578 -6.416 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.766 -3.957 -6.049 1.00 0.00 C ATOM 2158 CD2 LEU A 135 4.897 -5.635 -7.502 1.00 0.00 C ATOM 0 H LEU A 135 7.897 -1.621 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 135 5.594 -2.206 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.604 -2.926 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.968 -3.964 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 135 5.559 -5.035 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.096 -4.735 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.909 -3.205 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.329 -3.489 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.215 -6.400 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.468 -5.164 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.850 -6.095 -7.763 1.00 0.00 H new ATOM 2170 N LEU A 136 6.843 -3.535 -3.602 1.00 0.00 N ATOM 2171 CA LEU A 136 7.585 -4.262 -2.578 1.00 0.00 C ATOM 2172 C LEU A 136 7.223 -5.745 -2.626 1.00 0.00 C ATOM 2173 O LEU A 136 6.053 -6.099 -2.774 1.00 0.00 O ATOM 2174 CB LEU A 136 7.251 -3.706 -1.186 1.00 0.00 C ATOM 2175 CG LEU A 136 8.053 -2.427 -0.901 1.00 0.00 C ATOM 2176 CD1 LEU A 136 7.592 -1.833 0.429 1.00 0.00 C ATOM 2177 CD2 LEU A 136 9.552 -2.745 -0.814 1.00 0.00 C ATOM 0 H LEU A 136 5.919 -3.214 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 136 8.651 -4.140 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.184 -3.493 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.473 -4.456 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 136 7.886 -1.716 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.157 -0.925 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.530 -1.594 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.759 -2.556 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.107 -1.829 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.726 -3.460 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.889 -3.172 -1.759 1.00 0.00 H new