USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 750 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 92 GLN :FLIP amide:sc= -5.95! C(o=-15!,f=-11!) USER MOD Set 1.2: A 96 TYR OH : rot 25:sc= -4.91! USER MOD Set 2.1: A 81 LYS NZ :NH3+ -125:sc= -3.46! (180deg=-1.66!) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= -1.3! USER MOD Set 3.1: A 46 THR OG1 : rot 173:sc= -5.78! USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -0.468 F(o=-8.7!,f=-6.2) USER MOD Set 4.1: A 5 ASN :FLIP amide:sc= -7.89! C(o=-12!,f=-8.4!) USER MOD Set 4.2: A 9 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 8 THR OG1 : rot 13:sc= 0.728 USER MOD Single : A 12 TYR OH : rot 119:sc= -10.8! USER MOD Single : A 13 ASN : amide:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -8:sc= 0.0132 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 135:sc= 0.28 (180deg=0) USER MOD Single : A 35 MET CE :methyl -106:sc= -23.9! (180deg=-29.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -23:sc= -1.4! USER MOD Single : A 51 THR OG1 : rot -160:sc= -3.48! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0935 (180deg=-0.204) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.237 F(o=-1.1,f=-0.24) USER MOD Single : A 64 TYR OH : rot -45:sc= -13.5! USER MOD Single : A 67 LYS NZ :NH3+ -109:sc= -0.0378! (180deg=-1.47) USER MOD Single : A 69 THR OG1 : rot 180:sc= -5.54! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -23.3! C(o=-23!,f=-24!) USER MOD Single : A 95 GLN :FLIP amide:sc= -11.3! C(o=-15!,f=-11!) USER MOD Single : A 97 ASN : amide:sc= -14.9! C(o=-15!,f=-15!) USER MOD Single : A 103 THR OG1 : rot -64:sc= 0.678 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 42:sc= 0.242! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -1.881 12.448 7.545 1.00 0.00 N ATOM 22 CA ASN A 5 -3.067 11.685 7.905 1.00 0.00 C ATOM 23 C ASN A 5 -2.965 10.256 7.387 1.00 0.00 C ATOM 24 O ASN A 5 -3.605 9.348 7.912 1.00 0.00 O ATOM 25 CB ASN A 5 -4.327 12.352 7.351 1.00 0.00 C ATOM 26 CG ASN A 5 -5.583 11.593 7.723 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.420 10.546 8.523 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -6.685 11.942 7.300 1.00 0.00 N flip ATOM 0 HA ASN A 5 -3.133 11.659 8.993 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.394 13.371 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.253 12.420 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.762 12.754 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.521 11.420 7.562 1.00 0.00 H new ATOM 35 N LEU A 6 -2.157 10.064 6.356 1.00 0.00 N ATOM 36 CA LEU A 6 -1.971 8.746 5.764 1.00 0.00 C ATOM 37 C LEU A 6 -1.038 7.890 6.609 1.00 0.00 C ATOM 38 O LEU A 6 -1.277 6.701 6.817 1.00 0.00 O ATOM 39 CB LEU A 6 -1.404 8.882 4.349 1.00 0.00 C ATOM 40 CG LEU A 6 -2.415 8.681 3.224 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.239 7.306 2.598 1.00 0.00 C ATOM 42 CD2 LEU A 6 -3.828 8.860 3.750 1.00 0.00 C ATOM 0 H LEU A 6 -1.618 10.806 5.910 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.944 8.256 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.961 9.873 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.598 8.158 4.226 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.240 9.432 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.966 7.175 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.231 7.218 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.393 6.538 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.540 8.714 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.019 8.129 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.941 9.866 4.155 1.00 0.00 H new ATOM 54 N GLU A 7 0.035 8.508 7.070 1.00 0.00 N ATOM 55 CA GLU A 7 1.037 7.826 7.873 1.00 0.00 C ATOM 56 C GLU A 7 0.533 7.524 9.280 1.00 0.00 C ATOM 57 O GLU A 7 1.146 6.749 10.014 1.00 0.00 O ATOM 58 CB GLU A 7 2.309 8.672 7.953 1.00 0.00 C ATOM 59 CG GLU A 7 2.771 8.943 9.375 1.00 0.00 C ATOM 60 CD GLU A 7 4.194 9.464 9.437 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.913 9.346 8.423 1.00 0.00 O ATOM 62 OE2 GLU A 7 4.588 9.987 10.499 1.00 0.00 O ATOM 0 H GLU A 7 0.237 9.493 6.900 1.00 0.00 H new ATOM 0 HA GLU A 7 1.254 6.876 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.107 8.165 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.135 9.623 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.102 9.668 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.699 8.025 9.958 1.00 0.00 H new ATOM 69 N THR A 8 -0.576 8.148 9.663 1.00 0.00 N ATOM 70 CA THR A 8 -1.135 7.945 10.994 1.00 0.00 C ATOM 71 C THR A 8 -2.046 6.722 11.050 1.00 0.00 C ATOM 72 O THR A 8 -2.469 6.308 12.130 1.00 0.00 O ATOM 73 CB THR A 8 -1.903 9.188 11.447 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.786 8.875 12.507 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.717 9.820 10.341 1.00 0.00 C ATOM 0 H THR A 8 -1.102 8.794 9.075 1.00 0.00 H new ATOM 0 HA THR A 8 -0.299 7.769 11.672 1.00 0.00 H new ATOM 0 HB THR A 8 -1.141 9.898 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.572 7.986 12.859 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.237 10.696 10.727 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.056 10.120 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.446 9.100 9.969 1.00 0.00 H new ATOM 83 N TYR A 9 -2.353 6.146 9.893 1.00 0.00 N ATOM 84 CA TYR A 9 -3.217 4.980 9.845 1.00 0.00 C ATOM 85 C TYR A 9 -2.434 3.697 10.092 1.00 0.00 C ATOM 86 O TYR A 9 -1.214 3.716 10.244 1.00 0.00 O ATOM 87 CB TYR A 9 -3.941 4.899 8.504 1.00 0.00 C ATOM 88 CG TYR A 9 -5.002 5.957 8.349 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.681 7.208 7.854 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.321 5.708 8.706 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.641 8.187 7.715 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.290 6.682 8.571 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.946 7.921 8.075 1.00 0.00 C ATOM 94 OH TYR A 9 -7.908 8.898 7.939 1.00 0.00 O ATOM 0 H TYR A 9 -2.018 6.467 8.985 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.955 5.087 10.640 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.215 4.998 7.697 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.398 3.915 8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.661 7.421 7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.593 4.738 9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.373 9.158 7.326 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.312 6.474 8.852 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.774 8.548 8.236 1.00 0.00 H new ATOM 104 N GLU A 10 -3.157 2.587 10.148 1.00 0.00 N ATOM 105 CA GLU A 10 -2.557 1.286 10.398 1.00 0.00 C ATOM 106 C GLU A 10 -1.976 0.675 9.134 1.00 0.00 C ATOM 107 O GLU A 10 -1.953 -0.546 8.987 1.00 0.00 O ATOM 108 CB GLU A 10 -3.608 0.339 10.974 1.00 0.00 C ATOM 109 CG GLU A 10 -3.056 -1.025 11.344 1.00 0.00 C ATOM 110 CD GLU A 10 -3.121 -1.298 12.834 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.199 -1.085 13.430 1.00 0.00 O ATOM 112 OE2 GLU A 10 -2.095 -1.722 13.406 1.00 0.00 O ATOM 0 H GLU A 10 -4.169 2.563 10.022 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.743 1.431 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.051 0.795 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.409 0.213 10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.616 -1.795 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.021 -1.096 11.011 1.00 0.00 H new ATOM 119 N TRP A 11 -1.528 1.506 8.206 1.00 0.00 N ATOM 120 CA TRP A 11 -0.991 0.976 6.964 1.00 0.00 C ATOM 121 C TRP A 11 0.060 1.872 6.317 1.00 0.00 C ATOM 122 O TRP A 11 0.764 1.430 5.409 1.00 0.00 O ATOM 123 CB TRP A 11 -2.141 0.745 5.996 1.00 0.00 C ATOM 124 CG TRP A 11 -3.276 1.696 6.209 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.297 1.570 7.104 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.499 2.929 5.520 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.142 2.646 7.013 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.675 3.495 6.041 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.818 3.607 4.512 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.183 4.706 5.582 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.320 4.811 4.060 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.495 5.350 4.594 1.00 0.00 C ATOM 0 H TRP A 11 -1.524 2.523 8.285 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.482 0.043 7.204 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.776 0.845 4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.503 -0.277 6.106 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.422 0.742 7.786 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.980 2.792 7.576 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.912 3.198 4.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.091 5.123 5.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.797 5.346 3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.865 6.293 4.218 1.00 0.00 H new ATOM 143 N TYR A 12 0.186 3.116 6.762 1.00 0.00 N ATOM 144 CA TYR A 12 1.176 3.996 6.168 1.00 0.00 C ATOM 145 C TYR A 12 2.445 4.039 6.997 1.00 0.00 C ATOM 146 O TYR A 12 2.438 4.446 8.159 1.00 0.00 O ATOM 147 CB TYR A 12 0.638 5.409 5.965 1.00 0.00 C ATOM 148 CG TYR A 12 1.568 6.230 5.103 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.682 5.632 4.539 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.346 7.575 4.847 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.551 6.340 3.744 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.213 8.297 4.049 1.00 0.00 C ATOM 153 CZ TYR A 12 3.313 7.676 3.498 1.00 0.00 C ATOM 154 OH TYR A 12 4.178 8.391 2.702 1.00 0.00 O ATOM 0 H TYR A 12 -0.370 3.527 7.512 1.00 0.00 H new ATOM 0 HA TYR A 12 1.412 3.581 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.347 5.363 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.511 5.895 6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.872 4.586 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.484 8.064 5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.414 5.854 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.029 9.344 3.858 1.00 0.00 H new ATOM 0 HH TYR A 12 3.699 8.723 1.914 1.00 0.00 H new ATOM 164 N ASN A 13 3.535 3.609 6.382 1.00 0.00 N ATOM 165 CA ASN A 13 4.829 3.583 7.035 1.00 0.00 C ATOM 166 C ASN A 13 5.696 4.748 6.557 1.00 0.00 C ATOM 167 O ASN A 13 5.733 5.064 5.368 1.00 0.00 O ATOM 168 CB ASN A 13 5.503 2.248 6.750 1.00 0.00 C ATOM 169 CG ASN A 13 5.746 1.443 8.009 1.00 0.00 C ATOM 170 OD1 ASN A 13 6.569 1.808 8.848 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.022 0.337 8.149 1.00 0.00 N ATOM 0 H ASN A 13 3.546 3.270 5.420 1.00 0.00 H new ATOM 0 HA ASN A 13 4.696 3.693 8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.882 1.669 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.453 2.424 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.138 -0.247 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.351 0.072 7.428 1.00 0.00 H new ATOM 178 N LYS A 14 6.362 5.398 7.503 1.00 0.00 N ATOM 179 CA LYS A 14 7.206 6.555 7.208 1.00 0.00 C ATOM 180 C LYS A 14 8.362 6.230 6.263 1.00 0.00 C ATOM 181 O LYS A 14 9.396 5.709 6.681 1.00 0.00 O ATOM 182 CB LYS A 14 7.761 7.140 8.505 1.00 0.00 C ATOM 183 CG LYS A 14 8.486 8.459 8.311 1.00 0.00 C ATOM 184 CD LYS A 14 9.965 8.245 8.031 1.00 0.00 C ATOM 185 CE LYS A 14 10.673 7.629 9.225 1.00 0.00 C ATOM 186 NZ LYS A 14 11.805 6.753 8.810 1.00 0.00 N ATOM 0 H LYS A 14 6.335 5.143 8.490 1.00 0.00 H new ATOM 0 HA LYS A 14 6.571 7.282 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.942 7.285 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.445 6.421 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.033 9.006 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.369 9.075 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.082 7.597 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.431 9.198 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.046 8.421 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.960 7.048 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.261 6.352 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.446 5.982 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.499 7.313 8.274 1.00 0.00 H new ATOM 200 N SER A 15 8.182 6.571 4.992 1.00 0.00 N ATOM 201 CA SER A 15 9.205 6.356 3.975 1.00 0.00 C ATOM 202 C SER A 15 9.737 4.935 4.024 1.00 0.00 C ATOM 203 O SER A 15 10.945 4.707 3.952 1.00 0.00 O ATOM 204 CB SER A 15 10.354 7.349 4.160 1.00 0.00 C ATOM 205 OG SER A 15 11.178 6.976 5.252 1.00 0.00 O ATOM 0 H SER A 15 7.328 7.002 4.639 1.00 0.00 H new ATOM 0 HA SER A 15 8.746 6.516 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.950 7.394 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.952 8.348 4.328 1.00 0.00 H new ATOM 0 HG SER A 15 10.764 6.230 5.735 1.00 0.00 H new ATOM 211 N ILE A 16 8.828 3.987 4.144 1.00 0.00 N ATOM 212 CA ILE A 16 9.203 2.583 4.201 1.00 0.00 C ATOM 213 C ILE A 16 9.517 2.035 2.811 1.00 0.00 C ATOM 214 O ILE A 16 10.678 1.986 2.405 1.00 0.00 O ATOM 215 CB ILE A 16 8.101 1.741 4.856 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.396 1.568 6.348 1.00 0.00 C ATOM 217 CG2 ILE A 16 7.971 0.390 4.170 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.808 0.307 6.941 1.00 0.00 C ATOM 0 H ILE A 16 7.825 4.161 4.204 1.00 0.00 H new ATOM 0 HA ILE A 16 10.103 2.516 4.812 1.00 0.00 H new ATOM 0 HB ILE A 16 7.150 2.262 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.476 1.560 6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.006 2.430 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.183 -0.189 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.721 0.538 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.915 -0.149 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.058 0.252 8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.724 0.321 6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.217 -0.562 6.426 1.00 0.00 H new ATOM 230 N SER A 17 8.480 1.626 2.086 1.00 0.00 N ATOM 231 CA SER A 17 8.647 1.084 0.744 1.00 0.00 C ATOM 232 C SER A 17 7.827 -0.190 0.577 1.00 0.00 C ATOM 233 O SER A 17 7.661 -0.958 1.524 1.00 0.00 O ATOM 234 CB SER A 17 10.120 0.795 0.461 1.00 0.00 C ATOM 235 OG SER A 17 10.284 0.163 -0.796 1.00 0.00 O ATOM 0 H SER A 17 7.513 1.660 2.408 1.00 0.00 H new ATOM 0 HA SER A 17 8.292 1.828 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.686 1.726 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.526 0.159 1.247 1.00 0.00 H new ATOM 0 HG SER A 17 11.236 -0.009 -0.954 1.00 0.00 H new ATOM 241 N ARG A 18 7.318 -0.409 -0.629 1.00 0.00 N ATOM 242 CA ARG A 18 6.518 -1.592 -0.907 1.00 0.00 C ATOM 243 C ARG A 18 7.309 -2.856 -0.595 1.00 0.00 C ATOM 244 O ARG A 18 6.731 -3.905 -0.307 1.00 0.00 O ATOM 245 CB ARG A 18 6.072 -1.601 -2.370 1.00 0.00 C ATOM 246 CG ARG A 18 6.103 -2.982 -3.008 1.00 0.00 C ATOM 247 CD ARG A 18 7.523 -3.410 -3.340 1.00 0.00 C ATOM 248 NE ARG A 18 8.474 -2.313 -3.191 1.00 0.00 N ATOM 249 CZ ARG A 18 9.579 -2.192 -3.919 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.868 -3.096 -4.845 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.396 -1.166 -3.722 1.00 0.00 N ATOM 0 H ARG A 18 7.445 0.215 -1.426 1.00 0.00 H new ATOM 0 HA ARG A 18 5.634 -1.566 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.059 -1.203 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.715 -0.932 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.652 -3.707 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.501 -2.978 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.815 -4.234 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.559 -3.784 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 18 8.280 -1.599 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.242 -3.886 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.717 -3.001 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.176 -0.468 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.244 -1.074 -4.282 1.00 0.00 H new ATOM 265 N ASP A 19 8.635 -2.749 -0.638 1.00 0.00 N ATOM 266 CA ASP A 19 9.488 -3.895 -0.343 1.00 0.00 C ATOM 267 C ASP A 19 9.335 -4.280 1.119 1.00 0.00 C ATOM 268 O ASP A 19 9.239 -5.462 1.465 1.00 0.00 O ATOM 269 CB ASP A 19 10.952 -3.573 -0.653 1.00 0.00 C ATOM 270 CG ASP A 19 11.669 -4.729 -1.320 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.345 -5.893 -1.000 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.554 -4.472 -2.163 1.00 0.00 O ATOM 0 H ASP A 19 9.136 -1.892 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 19 9.183 -4.732 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.999 -2.697 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.468 -3.314 0.272 1.00 0.00 H new ATOM 277 N LYS A 20 9.264 -3.263 1.964 1.00 0.00 N ATOM 278 CA LYS A 20 9.073 -3.463 3.387 1.00 0.00 C ATOM 279 C LYS A 20 7.682 -3.999 3.619 1.00 0.00 C ATOM 280 O LYS A 20 7.484 -5.024 4.271 1.00 0.00 O ATOM 281 CB LYS A 20 9.253 -2.145 4.132 1.00 0.00 C ATOM 282 CG LYS A 20 10.401 -2.168 5.113 1.00 0.00 C ATOM 283 CD LYS A 20 10.761 -0.770 5.589 1.00 0.00 C ATOM 284 CE LYS A 20 11.771 -0.110 4.666 1.00 0.00 C ATOM 285 NZ LYS A 20 13.169 -0.498 5.002 1.00 0.00 N ATOM 0 H LYS A 20 9.337 -2.285 1.683 1.00 0.00 H new ATOM 0 HA LYS A 20 9.811 -4.173 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.417 -1.346 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.332 -1.908 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.135 -2.787 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.271 -2.628 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.860 -0.159 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.169 -0.822 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.555 -0.388 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.669 0.973 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.827 -0.026 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.384 -0.210 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.274 -1.529 4.914 1.00 0.00 H new ATOM 299 N ALA A 21 6.726 -3.297 3.038 1.00 0.00 N ATOM 300 CA ALA A 21 5.334 -3.679 3.122 1.00 0.00 C ATOM 301 C ALA A 21 5.165 -5.090 2.587 1.00 0.00 C ATOM 302 O ALA A 21 4.556 -5.945 3.231 1.00 0.00 O ATOM 303 CB ALA A 21 4.488 -2.690 2.342 1.00 0.00 C ATOM 0 H ALA A 21 6.895 -2.449 2.497 1.00 0.00 H new ATOM 0 HA ALA A 21 5.004 -3.664 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.439 -2.979 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.616 -1.692 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.801 -2.688 1.298 1.00 0.00 H new ATOM 309 N GLU A 22 5.743 -5.338 1.414 1.00 0.00 N ATOM 310 CA GLU A 22 5.687 -6.659 0.813 1.00 0.00 C ATOM 311 C GLU A 22 6.421 -7.645 1.703 1.00 0.00 C ATOM 312 O GLU A 22 5.892 -8.700 2.058 1.00 0.00 O ATOM 313 CB GLU A 22 6.304 -6.643 -0.587 1.00 0.00 C ATOM 314 CG GLU A 22 5.868 -7.810 -1.457 1.00 0.00 C ATOM 315 CD GLU A 22 5.833 -7.458 -2.930 1.00 0.00 C ATOM 316 OE1 GLU A 22 4.879 -6.773 -3.356 1.00 0.00 O ATOM 317 OE2 GLU A 22 6.761 -7.866 -3.661 1.00 0.00 O ATOM 0 H GLU A 22 6.252 -4.643 0.867 1.00 0.00 H new ATOM 0 HA GLU A 22 4.645 -6.963 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.035 -5.710 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.390 -6.654 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.549 -8.647 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.879 -8.142 -1.143 1.00 0.00 H new ATOM 324 N LYS A 23 7.636 -7.267 2.089 1.00 0.00 N ATOM 325 CA LYS A 23 8.446 -8.097 2.970 1.00 0.00 C ATOM 326 C LYS A 23 7.653 -8.430 4.221 1.00 0.00 C ATOM 327 O LYS A 23 7.547 -9.589 4.626 1.00 0.00 O ATOM 328 CB LYS A 23 9.745 -7.380 3.342 1.00 0.00 C ATOM 329 CG LYS A 23 10.174 -7.608 4.784 1.00 0.00 C ATOM 330 CD LYS A 23 11.494 -6.919 5.086 1.00 0.00 C ATOM 331 CE LYS A 23 11.552 -5.531 4.467 1.00 0.00 C ATOM 332 NZ LYS A 23 12.902 -4.918 4.608 1.00 0.00 N ATOM 0 H LYS A 23 8.079 -6.393 1.806 1.00 0.00 H new ATOM 0 HA LYS A 23 8.704 -9.019 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.540 -7.718 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.621 -6.310 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.404 -7.233 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.269 -8.677 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.628 -6.843 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.317 -7.523 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.290 -5.593 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.810 -4.890 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.901 -3.973 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.142 -4.836 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.607 -5.517 4.132 1.00 0.00 H new ATOM 346 N LEU A 24 7.079 -7.399 4.816 1.00 0.00 N ATOM 347 CA LEU A 24 6.261 -7.558 6.009 1.00 0.00 C ATOM 348 C LEU A 24 4.962 -8.279 5.665 1.00 0.00 C ATOM 349 O LEU A 24 4.465 -9.095 6.440 1.00 0.00 O ATOM 350 CB LEU A 24 5.954 -6.199 6.641 1.00 0.00 C ATOM 351 CG LEU A 24 5.386 -5.147 5.686 1.00 0.00 C ATOM 352 CD1 LEU A 24 3.866 -5.189 5.680 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.882 -3.760 6.071 1.00 0.00 C ATOM 0 H LEU A 24 7.164 -6.436 4.491 1.00 0.00 H new ATOM 0 HA LEU A 24 6.820 -8.156 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.245 -6.347 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.870 -5.807 7.084 1.00 0.00 H new ATOM 0 HG LEU A 24 5.735 -5.373 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.484 -4.433 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.531 -6.175 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.493 -4.990 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.470 -3.022 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.561 -3.528 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.971 -3.736 6.020 1.00 0.00 H new ATOM 365 N LEU A 25 4.404 -7.948 4.501 1.00 0.00 N ATOM 366 CA LEU A 25 3.147 -8.540 4.055 1.00 0.00 C ATOM 367 C LEU A 25 3.275 -10.028 3.767 1.00 0.00 C ATOM 368 O LEU A 25 2.491 -10.831 4.274 1.00 0.00 O ATOM 369 CB LEU A 25 2.633 -7.823 2.809 1.00 0.00 C ATOM 370 CG LEU A 25 2.144 -6.395 3.035 1.00 0.00 C ATOM 371 CD1 LEU A 25 2.381 -5.552 1.791 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.669 -6.393 3.409 1.00 0.00 C ATOM 0 H LEU A 25 4.804 -7.272 3.850 1.00 0.00 H new ATOM 0 HA LEU A 25 2.436 -8.420 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.430 -7.803 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.816 -8.407 2.385 1.00 0.00 H new ATOM 0 HG LEU A 25 2.709 -5.960 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.027 -4.536 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.447 -5.531 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.839 -5.984 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.335 -5.368 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.089 -6.844 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.525 -6.967 4.325 1.00 0.00 H new ATOM 384 N LEU A 26 4.253 -10.402 2.955 1.00 0.00 N ATOM 385 CA LEU A 26 4.438 -11.811 2.625 1.00 0.00 C ATOM 386 C LEU A 26 4.972 -12.568 3.831 1.00 0.00 C ATOM 387 O LEU A 26 4.656 -13.741 4.032 1.00 0.00 O ATOM 388 CB LEU A 26 5.358 -12.003 1.411 1.00 0.00 C ATOM 389 CG LEU A 26 6.539 -11.042 1.305 1.00 0.00 C ATOM 390 CD1 LEU A 26 7.173 -10.828 2.666 1.00 0.00 C ATOM 391 CD2 LEU A 26 7.566 -11.569 0.315 1.00 0.00 C ATOM 0 H LEU A 26 4.920 -9.765 2.519 1.00 0.00 H new ATOM 0 HA LEU A 26 3.463 -12.217 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.745 -13.022 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.757 -11.909 0.507 1.00 0.00 H new ATOM 0 HG LEU A 26 6.172 -10.082 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.013 -10.140 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.435 -10.408 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.527 -11.782 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.401 -10.872 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.929 -12.541 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.105 -11.673 -0.667 1.00 0.00 H new ATOM 403 N ASP A 27 5.760 -11.880 4.646 1.00 0.00 N ATOM 404 CA ASP A 27 6.312 -12.478 5.851 1.00 0.00 C ATOM 405 C ASP A 27 5.198 -12.752 6.848 1.00 0.00 C ATOM 406 O ASP A 27 5.126 -13.827 7.444 1.00 0.00 O ATOM 407 CB ASP A 27 7.362 -11.555 6.475 1.00 0.00 C ATOM 408 CG ASP A 27 8.748 -11.789 5.907 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.916 -12.749 5.126 1.00 0.00 O ATOM 410 OD2 ASP A 27 9.666 -11.011 6.242 1.00 0.00 O ATOM 0 H ASP A 27 6.030 -10.908 4.494 1.00 0.00 H new ATOM 0 HA ASP A 27 6.794 -13.419 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.074 -10.517 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.383 -11.710 7.554 1.00 0.00 H new ATOM 415 N THR A 28 4.327 -11.767 7.008 1.00 0.00 N ATOM 416 CA THR A 28 3.196 -11.875 7.915 1.00 0.00 C ATOM 417 C THR A 28 2.134 -12.800 7.342 1.00 0.00 C ATOM 418 O THR A 28 1.637 -13.696 8.024 1.00 0.00 O ATOM 419 CB THR A 28 2.597 -10.496 8.191 1.00 0.00 C ATOM 420 OG1 THR A 28 3.059 -9.985 9.428 1.00 0.00 O ATOM 421 CG2 THR A 28 1.085 -10.496 8.229 1.00 0.00 C ATOM 0 H THR A 28 4.384 -10.876 6.516 1.00 0.00 H new ATOM 0 HA THR A 28 3.554 -12.297 8.854 1.00 0.00 H new ATOM 0 HB THR A 28 2.923 -9.870 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.665 -9.101 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.726 -9.486 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.697 -10.835 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.741 -11.166 9.017 1.00 0.00 H new ATOM 429 N GLY A 29 1.797 -12.576 6.080 1.00 0.00 N ATOM 430 CA GLY A 29 0.801 -13.395 5.421 1.00 0.00 C ATOM 431 C GLY A 29 -0.594 -13.193 5.984 1.00 0.00 C ATOM 432 O GLY A 29 -1.250 -14.152 6.390 1.00 0.00 O ATOM 0 H GLY A 29 2.197 -11.839 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.795 -13.164 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.078 -14.445 5.518 1.00 0.00 H new ATOM 436 N LYS A 30 -1.050 -11.944 6.003 1.00 0.00 N ATOM 437 CA LYS A 30 -2.378 -11.625 6.514 1.00 0.00 C ATOM 438 C LYS A 30 -3.314 -11.233 5.384 1.00 0.00 C ATOM 439 O LYS A 30 -3.197 -10.141 4.828 1.00 0.00 O ATOM 440 CB LYS A 30 -2.312 -10.473 7.515 1.00 0.00 C ATOM 441 CG LYS A 30 -2.454 -10.913 8.963 1.00 0.00 C ATOM 442 CD LYS A 30 -3.805 -10.512 9.536 1.00 0.00 C ATOM 443 CE LYS A 30 -3.688 -10.088 10.992 1.00 0.00 C ATOM 444 NZ LYS A 30 -5.023 -9.888 11.620 1.00 0.00 N ATOM 0 H LYS A 30 -0.520 -11.138 5.671 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.758 -12.519 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.362 -9.952 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.100 -9.756 7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.336 -11.995 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.658 -10.468 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.222 -9.693 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.499 -11.348 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.135 -10.845 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.114 -9.163 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.036 -10.336 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.211 -8.870 11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.756 -10.318 11.021 1.00 0.00 H new ATOM 458 N GLU A 31 -4.253 -12.107 5.049 1.00 0.00 N ATOM 459 CA GLU A 31 -5.194 -11.795 3.992 1.00 0.00 C ATOM 460 C GLU A 31 -5.752 -10.397 4.222 1.00 0.00 C ATOM 461 O GLU A 31 -6.293 -10.108 5.289 1.00 0.00 O ATOM 462 CB GLU A 31 -6.333 -12.817 3.965 1.00 0.00 C ATOM 463 CG GLU A 31 -7.486 -12.469 4.893 1.00 0.00 C ATOM 464 CD GLU A 31 -8.637 -13.450 4.786 1.00 0.00 C ATOM 465 OE1 GLU A 31 -9.307 -13.468 3.732 1.00 0.00 O ATOM 466 OE2 GLU A 31 -8.869 -14.200 5.757 1.00 0.00 O ATOM 0 H GLU A 31 -4.380 -13.020 5.486 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.680 -11.834 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.711 -12.901 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.939 -13.795 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.126 -12.448 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.845 -11.466 4.660 1.00 0.00 H new ATOM 473 N GLY A 32 -5.608 -9.527 3.232 1.00 0.00 N ATOM 474 CA GLY A 32 -6.096 -8.180 3.381 1.00 0.00 C ATOM 475 C GLY A 32 -5.131 -7.297 4.135 1.00 0.00 C ATOM 476 O GLY A 32 -5.492 -6.195 4.542 1.00 0.00 O ATOM 0 H GLY A 32 -5.165 -9.732 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.281 -7.753 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.052 -8.199 3.905 1.00 0.00 H new ATOM 480 N ALA A 33 -3.898 -7.762 4.327 1.00 0.00 N ATOM 481 CA ALA A 33 -2.925 -6.948 5.052 1.00 0.00 C ATOM 482 C ALA A 33 -2.335 -5.897 4.128 1.00 0.00 C ATOM 483 O ALA A 33 -1.697 -6.229 3.130 1.00 0.00 O ATOM 484 CB ALA A 33 -1.826 -7.829 5.629 1.00 0.00 C ATOM 0 H ALA A 33 -3.557 -8.667 4.003 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.430 -6.444 5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.108 -7.210 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.264 -8.555 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.318 -8.354 4.820 1.00 0.00 H new ATOM 490 N PHE A 34 -2.558 -4.624 4.447 1.00 0.00 N ATOM 491 CA PHE A 34 -2.042 -3.554 3.608 1.00 0.00 C ATOM 492 C PHE A 34 -1.193 -2.530 4.351 1.00 0.00 C ATOM 493 O PHE A 34 -1.211 -2.435 5.578 1.00 0.00 O ATOM 494 CB PHE A 34 -3.178 -2.862 2.858 1.00 0.00 C ATOM 495 CG PHE A 34 -4.314 -2.395 3.723 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.110 -1.472 4.734 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.597 -2.860 3.500 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.162 -1.023 5.505 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.650 -2.417 4.274 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.434 -1.497 5.277 1.00 0.00 C ATOM 0 H PHE A 34 -3.083 -4.315 5.265 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.371 -4.037 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.771 -2.004 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.570 -3.549 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.114 -1.098 4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.777 -3.577 2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.988 -0.299 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.646 -2.792 4.093 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.259 -1.150 5.881 1.00 0.00 H new ATOM 510 N MET A 35 -0.481 -1.742 3.552 1.00 0.00 N ATOM 511 CA MET A 35 0.374 -0.665 4.035 1.00 0.00 C ATOM 512 C MET A 35 0.595 0.320 2.890 1.00 0.00 C ATOM 513 O MET A 35 0.701 -0.089 1.736 1.00 0.00 O ATOM 514 CB MET A 35 1.711 -1.202 4.547 1.00 0.00 C ATOM 515 CG MET A 35 2.315 -2.279 3.665 1.00 0.00 C ATOM 516 SD MET A 35 1.239 -3.713 3.488 1.00 0.00 S ATOM 517 CE MET A 35 0.892 -4.084 5.205 1.00 0.00 C ATOM 0 H MET A 35 -0.482 -1.835 2.536 1.00 0.00 H new ATOM 0 HA MET A 35 -0.112 -0.166 4.873 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.416 -0.375 4.630 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.571 -1.603 5.551 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.524 -1.862 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.269 -2.595 4.086 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.448 -4.973 5.505 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.192 -3.241 5.827 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.176 -4.265 5.330 1.00 0.00 H new ATOM 527 N VAL A 36 0.638 1.610 3.192 1.00 0.00 N ATOM 528 CA VAL A 36 0.811 2.610 2.151 1.00 0.00 C ATOM 529 C VAL A 36 2.167 3.286 2.238 1.00 0.00 C ATOM 530 O VAL A 36 2.654 3.586 3.326 1.00 0.00 O ATOM 531 CB VAL A 36 -0.301 3.671 2.212 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.659 3.012 2.034 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.237 4.440 3.523 1.00 0.00 C ATOM 0 H VAL A 36 0.557 1.984 4.137 1.00 0.00 H new ATOM 0 HA VAL A 36 0.751 2.085 1.197 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.153 4.383 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.440 3.771 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.696 2.510 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.816 2.282 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.032 5.186 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.363 3.749 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.729 4.937 3.606 1.00 0.00 H new ATOM 543 N ARG A 37 2.780 3.514 1.084 1.00 0.00 N ATOM 544 CA ARG A 37 4.081 4.147 1.031 1.00 0.00 C ATOM 545 C ARG A 37 4.024 5.460 0.256 1.00 0.00 C ATOM 546 O ARG A 37 3.241 5.606 -0.684 1.00 0.00 O ATOM 547 CB ARG A 37 5.106 3.208 0.395 1.00 0.00 C ATOM 548 CG ARG A 37 6.537 3.495 0.816 1.00 0.00 C ATOM 549 CD ARG A 37 7.287 4.274 -0.253 1.00 0.00 C ATOM 550 NE ARG A 37 7.875 5.502 0.277 1.00 0.00 N ATOM 551 CZ ARG A 37 9.067 5.964 -0.087 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.793 5.303 -0.979 1.00 0.00 N ATOM 553 NH2 ARG A 37 9.534 7.085 0.441 1.00 0.00 N ATOM 0 H ARG A 37 2.392 3.268 0.173 1.00 0.00 H new ATOM 0 HA ARG A 37 4.387 4.367 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.858 2.180 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.033 3.285 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.537 4.061 1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.054 2.556 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.074 3.647 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.606 4.520 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 37 7.341 6.034 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.437 4.439 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.707 5.659 -1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.979 7.595 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.449 7.438 0.161 1.00 0.00 H new ATOM 567 N ASP A 38 4.865 6.410 0.657 1.00 0.00 N ATOM 568 CA ASP A 38 4.921 7.711 0.001 1.00 0.00 C ATOM 569 C ASP A 38 5.515 7.580 -1.396 1.00 0.00 C ATOM 570 O ASP A 38 6.558 6.952 -1.581 1.00 0.00 O ATOM 571 CB ASP A 38 5.749 8.696 0.829 1.00 0.00 C ATOM 572 CG ASP A 38 6.472 8.025 1.981 1.00 0.00 C ATOM 573 OD1 ASP A 38 5.908 7.073 2.560 1.00 0.00 O ATOM 574 OD2 ASP A 38 7.600 8.451 2.303 1.00 0.00 O ATOM 0 H ASP A 38 5.517 6.302 1.434 1.00 0.00 H new ATOM 0 HA ASP A 38 3.903 8.092 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.478 9.185 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.095 9.476 1.220 1.00 0.00 H new ATOM 663 N TYR A 45 0.577 8.720 -2.516 1.00 0.00 N ATOM 664 CA TYR A 45 0.784 7.587 -1.621 1.00 0.00 C ATOM 665 C TYR A 45 0.388 6.278 -2.290 1.00 0.00 C ATOM 666 O TYR A 45 -0.582 6.223 -3.044 1.00 0.00 O ATOM 667 CB TYR A 45 -0.022 7.774 -0.335 1.00 0.00 C ATOM 668 CG TYR A 45 0.454 8.930 0.515 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.747 8.959 1.019 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.393 9.990 0.813 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.186 10.013 1.796 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.039 11.049 1.589 1.00 0.00 C ATOM 673 CZ TYR A 45 1.328 11.057 2.078 1.00 0.00 C ATOM 674 OH TYR A 45 1.761 12.109 2.851 1.00 0.00 O ATOM 0 HA TYR A 45 1.846 7.542 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.070 7.930 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.029 6.857 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.421 8.144 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.404 9.987 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.195 10.020 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.630 11.867 1.811 1.00 0.00 H new ATOM 0 HH TYR A 45 1.036 12.760 2.954 1.00 0.00 H new ATOM 684 N THR A 46 1.143 5.221 -2.005 1.00 0.00 N ATOM 685 CA THR A 46 0.860 3.914 -2.582 1.00 0.00 C ATOM 686 C THR A 46 0.483 2.908 -1.498 1.00 0.00 C ATOM 687 O THR A 46 1.191 2.763 -0.501 1.00 0.00 O ATOM 688 CB THR A 46 2.068 3.405 -3.369 1.00 0.00 C ATOM 689 OG1 THR A 46 1.675 2.945 -4.649 1.00 0.00 O ATOM 690 CG2 THR A 46 2.801 2.275 -2.681 1.00 0.00 C ATOM 0 H THR A 46 1.950 5.245 -1.382 1.00 0.00 H new ATOM 0 HA THR A 46 0.014 4.023 -3.261 1.00 0.00 H new ATOM 0 HB THR A 46 2.741 4.259 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.471 2.730 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.646 1.963 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.163 2.614 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.123 1.433 -2.542 1.00 0.00 H new ATOM 698 N VAL A 47 -0.638 2.216 -1.696 1.00 0.00 N ATOM 699 CA VAL A 47 -1.107 1.231 -0.734 1.00 0.00 C ATOM 700 C VAL A 47 -0.652 -0.177 -1.104 1.00 0.00 C ATOM 701 O VAL A 47 -0.718 -0.581 -2.264 1.00 0.00 O ATOM 702 CB VAL A 47 -2.645 1.232 -0.616 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.102 0.186 0.391 1.00 0.00 C ATOM 704 CG2 VAL A 47 -3.168 2.611 -0.232 1.00 0.00 C ATOM 0 H VAL A 47 -1.236 2.322 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.671 1.515 0.224 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.058 0.979 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.190 0.200 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.772 -0.801 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.672 0.409 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.255 2.580 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.746 2.906 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.878 3.335 -0.993 1.00 0.00 H new ATOM 714 N SER A 48 -0.209 -0.923 -0.099 1.00 0.00 N ATOM 715 CA SER A 48 0.241 -2.296 -0.292 1.00 0.00 C ATOM 716 C SER A 48 -0.619 -3.238 0.542 1.00 0.00 C ATOM 717 O SER A 48 -0.567 -3.201 1.769 1.00 0.00 O ATOM 718 CB SER A 48 1.715 -2.440 0.105 1.00 0.00 C ATOM 719 OG SER A 48 2.308 -3.557 -0.536 1.00 0.00 O ATOM 0 H SER A 48 -0.152 -0.596 0.866 1.00 0.00 H new ATOM 0 HA SER A 48 0.142 -2.554 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.257 -1.533 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.795 -2.552 1.186 1.00 0.00 H new ATOM 0 HG SER A 48 1.611 -4.198 -0.788 1.00 0.00 H new ATOM 725 N VAL A 49 -1.422 -4.070 -0.127 1.00 0.00 N ATOM 726 CA VAL A 49 -2.299 -5.004 0.568 1.00 0.00 C ATOM 727 C VAL A 49 -1.909 -6.450 0.289 1.00 0.00 C ATOM 728 O VAL A 49 -1.417 -6.776 -0.793 1.00 0.00 O ATOM 729 CB VAL A 49 -3.772 -4.782 0.185 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.078 -3.293 0.086 1.00 0.00 C ATOM 731 CG2 VAL A 49 -4.098 -5.496 -1.117 1.00 0.00 C ATOM 0 H VAL A 49 -1.480 -4.113 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.182 -4.812 1.634 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.403 -5.205 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.124 -3.154 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.887 -2.817 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.442 -2.841 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.144 -5.328 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.463 -5.108 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.920 -6.565 -1.000 1.00 0.00 H new ATOM 741 N PHE A 50 -2.124 -7.316 1.278 1.00 0.00 N ATOM 742 CA PHE A 50 -1.782 -8.726 1.140 1.00 0.00 C ATOM 743 C PHE A 50 -2.967 -9.630 1.457 1.00 0.00 C ATOM 744 O PHE A 50 -3.590 -9.506 2.520 1.00 0.00 O ATOM 745 CB PHE A 50 -0.610 -9.088 2.052 1.00 0.00 C ATOM 746 CG PHE A 50 -0.423 -10.571 2.205 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.360 -11.331 2.887 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.684 -11.206 1.665 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.198 -12.695 3.025 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.852 -12.570 1.802 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.091 -13.316 2.482 1.00 0.00 C ATOM 0 H PHE A 50 -2.532 -7.065 2.179 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.498 -8.885 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.304 -8.651 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.770 -8.644 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.227 -10.851 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.424 -10.628 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.937 -13.276 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.720 -13.053 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.037 -14.383 2.589 1.00 0.00 H new ATOM 761 N THR A 51 -3.252 -10.544 0.527 1.00 0.00 N ATOM 762 CA THR A 51 -4.339 -11.499 0.670 1.00 0.00 C ATOM 763 C THR A 51 -3.790 -12.911 0.862 1.00 0.00 C ATOM 764 O THR A 51 -2.809 -13.298 0.229 1.00 0.00 O ATOM 765 CB THR A 51 -5.251 -11.456 -0.557 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.587 -11.759 -0.200 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.836 -12.420 -1.647 1.00 0.00 C ATOM 0 H THR A 51 -2.732 -10.638 -0.345 1.00 0.00 H new ATOM 0 HA THR A 51 -4.920 -11.226 1.551 1.00 0.00 H new ATOM 0 HB THR A 51 -5.166 -10.440 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.084 -12.037 -0.998 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.525 -12.338 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.827 -12.179 -1.981 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.857 -13.438 -1.259 1.00 0.00 H new ATOM 775 N LYS A 52 -4.425 -13.672 1.748 1.00 0.00 N ATOM 776 CA LYS A 52 -3.996 -15.037 2.029 1.00 0.00 C ATOM 777 C LYS A 52 -4.647 -16.027 1.069 1.00 0.00 C ATOM 778 O LYS A 52 -5.834 -15.925 0.763 1.00 0.00 O ATOM 779 CB LYS A 52 -4.335 -15.413 3.472 1.00 0.00 C ATOM 780 CG LYS A 52 -3.323 -16.348 4.112 1.00 0.00 C ATOM 781 CD LYS A 52 -3.572 -17.794 3.715 1.00 0.00 C ATOM 782 CE LYS A 52 -2.309 -18.451 3.184 1.00 0.00 C ATOM 783 NZ LYS A 52 -2.018 -19.735 3.877 1.00 0.00 N ATOM 0 H LYS A 52 -5.238 -13.367 2.283 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.916 -15.084 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.404 -14.503 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.317 -15.885 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.316 -16.056 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.374 -16.253 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.938 -18.351 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.352 -17.835 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.416 -18.632 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.466 -17.772 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.149 -20.151 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.891 -19.559 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.811 -20.393 3.736 1.00 0.00 H new ATOM 797 N ALA A 53 -3.856 -16.987 0.597 1.00 0.00 N ATOM 798 CA ALA A 53 -4.344 -17.997 -0.326 1.00 0.00 C ATOM 799 C ALA A 53 -4.610 -19.314 0.396 1.00 0.00 C ATOM 800 O ALA A 53 -3.982 -19.616 1.410 1.00 0.00 O ATOM 801 CB ALA A 53 -3.352 -18.202 -1.460 1.00 0.00 C ATOM 0 H ALA A 53 -2.871 -17.083 0.842 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.287 -17.646 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.732 -18.962 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.217 -17.264 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.395 -18.527 -1.052 1.00 0.00 H new ATOM 885 N PRO A 59 -0.620 -17.390 -1.062 1.00 0.00 N ATOM 886 CA PRO A 59 -1.175 -16.078 -0.722 1.00 0.00 C ATOM 887 C PRO A 59 -0.992 -15.063 -1.844 1.00 0.00 C ATOM 888 O PRO A 59 0.000 -15.101 -2.573 1.00 0.00 O ATOM 889 CB PRO A 59 -0.367 -15.669 0.510 1.00 0.00 C ATOM 890 CG PRO A 59 0.021 -16.957 1.149 1.00 0.00 C ATOM 891 CD PRO A 59 0.206 -17.944 0.026 1.00 0.00 C ATOM 0 HA PRO A 59 -2.251 -16.117 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.510 -15.084 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.960 -15.054 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.940 -16.845 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.749 -17.295 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.253 -18.026 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.124 -18.943 0.311 1.00 0.00 H new ATOM 899 N CYS A 60 -1.952 -14.156 -1.979 1.00 0.00 N ATOM 900 CA CYS A 60 -1.894 -13.132 -3.014 1.00 0.00 C ATOM 901 C CYS A 60 -1.799 -11.741 -2.396 1.00 0.00 C ATOM 902 O CYS A 60 -2.727 -11.276 -1.734 1.00 0.00 O ATOM 903 CB CYS A 60 -3.126 -13.217 -3.916 1.00 0.00 C ATOM 904 SG CYS A 60 -2.952 -14.379 -5.291 1.00 0.00 S ATOM 0 H CYS A 60 -2.780 -14.109 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.001 -13.307 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.986 -13.510 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.340 -12.226 -4.316 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.044 -14.384 -5.996 1.00 0.00 H new ATOM 910 N ILE A 61 -0.669 -11.082 -2.623 1.00 0.00 N ATOM 911 CA ILE A 61 -0.441 -9.742 -2.099 1.00 0.00 C ATOM 912 C ILE A 61 -0.431 -8.717 -3.229 1.00 0.00 C ATOM 913 O ILE A 61 0.155 -8.955 -4.284 1.00 0.00 O ATOM 914 CB ILE A 61 0.892 -9.676 -1.330 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.254 -8.231 -0.996 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.998 -10.338 -2.135 1.00 0.00 C ATOM 917 CD1 ILE A 61 1.956 -8.082 0.337 1.00 0.00 C ATOM 0 H ILE A 61 0.107 -11.457 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.256 -9.508 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 61 0.777 -10.218 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.895 -7.833 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.346 -7.628 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.934 -10.284 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.742 -11.382 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.112 -9.823 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.185 -7.031 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.308 -8.450 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.881 -8.658 0.327 1.00 0.00 H new ATOM 929 N LYS A 62 -1.094 -7.581 -3.016 1.00 0.00 N ATOM 930 CA LYS A 62 -1.157 -6.546 -4.043 1.00 0.00 C ATOM 931 C LYS A 62 -1.104 -5.141 -3.448 1.00 0.00 C ATOM 932 O LYS A 62 -1.717 -4.858 -2.417 1.00 0.00 O ATOM 933 CB LYS A 62 -2.431 -6.707 -4.872 1.00 0.00 C ATOM 934 CG LYS A 62 -2.213 -6.517 -6.366 1.00 0.00 C ATOM 935 CD LYS A 62 -2.983 -5.317 -6.893 1.00 0.00 C ATOM 936 CE LYS A 62 -4.363 -5.715 -7.391 1.00 0.00 C ATOM 937 NZ LYS A 62 -5.308 -4.563 -7.388 1.00 0.00 N ATOM 0 H LYS A 62 -1.589 -7.357 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.282 -6.668 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.845 -7.700 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.173 -5.987 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.150 -6.385 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.528 -7.415 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.081 -4.571 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.423 -4.851 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.283 -6.116 -8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.760 -6.512 -6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.180 -4.828 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.536 -4.304 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.868 -3.752 -7.867 1.00 0.00 H new ATOM 951 N HIS A 63 -0.368 -4.261 -4.123 1.00 0.00 N ATOM 952 CA HIS A 63 -0.234 -2.875 -3.690 1.00 0.00 C ATOM 953 C HIS A 63 -0.755 -1.925 -4.767 1.00 0.00 C ATOM 954 O HIS A 63 -0.478 -2.110 -5.953 1.00 0.00 O ATOM 955 CB HIS A 63 1.227 -2.556 -3.371 1.00 0.00 C ATOM 956 CG HIS A 63 2.200 -3.206 -4.305 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.456 -2.953 -5.613 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.041 -4.234 -3.945 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 3.450 -3.821 -6.060 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 3.767 -4.568 -5.020 1.00 0.00 N flip ATOM 0 H HIS A 63 0.146 -4.486 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.829 -2.738 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.370 -1.476 -3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.446 -2.875 -2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.104 -4.691 -2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.873 -3.872 -7.052 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.473 -5.304 -5.033 1.00 0.00 H new ATOM 968 N TYR A 64 -1.501 -0.907 -4.351 1.00 0.00 N ATOM 969 CA TYR A 64 -2.048 0.066 -5.289 1.00 0.00 C ATOM 970 C TYR A 64 -1.710 1.487 -4.857 1.00 0.00 C ATOM 971 O TYR A 64 -1.949 1.875 -3.713 1.00 0.00 O ATOM 972 CB TYR A 64 -3.562 -0.091 -5.408 1.00 0.00 C ATOM 973 CG TYR A 64 -4.142 -1.118 -4.469 1.00 0.00 C ATOM 974 CD1 TYR A 64 -4.005 -2.476 -4.723 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.828 -0.729 -3.328 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.536 -3.419 -3.864 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.361 -1.663 -2.465 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.213 -3.006 -2.737 1.00 0.00 C ATOM 979 OH TYR A 64 -5.747 -3.941 -1.878 1.00 0.00 O ATOM 0 H TYR A 64 -1.740 -0.735 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.595 -0.121 -6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.034 0.872 -5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.810 -0.368 -6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.475 -2.801 -5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.947 0.323 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.421 -4.472 -4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.892 -1.344 -1.580 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.208 -4.634 -2.395 1.00 0.00 H new ATOM 989 N HIS A 65 -1.158 2.260 -5.784 1.00 0.00 N ATOM 990 CA HIS A 65 -0.790 3.635 -5.507 1.00 0.00 C ATOM 991 C HIS A 65 -2.020 4.534 -5.512 1.00 0.00 C ATOM 992 O HIS A 65 -2.639 4.742 -6.555 1.00 0.00 O ATOM 993 CB HIS A 65 0.209 4.134 -6.547 1.00 0.00 C ATOM 994 CG HIS A 65 0.459 5.600 -6.451 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.870 6.336 -5.395 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 0.277 6.485 -7.488 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 0.942 7.675 -5.769 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 0.575 7.710 -7.036 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.957 1.953 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.331 3.670 -4.519 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.152 3.601 -6.424 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.163 3.898 -7.544 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.048 6.237 -8.488 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.237 8.510 -5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.525 8.560 -7.598 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.373 5.075 -4.348 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.529 5.955 -4.259 1.00 0.00 C ATOM 1008 C ILE A 66 -3.351 7.129 -5.203 1.00 0.00 C ATOM 1009 O ILE A 66 -2.433 7.932 -5.046 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.773 6.465 -2.823 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.748 5.293 -1.836 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -5.102 7.203 -2.742 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.654 3.932 -2.498 1.00 0.00 C ATOM 0 H ILE A 66 -1.882 4.921 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.405 5.374 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.977 7.161 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.901 5.417 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.650 5.327 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.260 7.557 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.088 8.054 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.911 6.528 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.641 3.155 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.515 3.785 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.738 3.876 -3.087 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.220 7.208 -6.199 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.137 8.269 -7.185 1.00 0.00 C ATOM 1027 C LYS A 67 -4.847 9.521 -6.707 1.00 0.00 C ATOM 1028 O LYS A 67 -6.049 9.511 -6.444 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.739 7.815 -8.515 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.132 6.528 -9.049 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.096 5.362 -8.914 1.00 0.00 C ATOM 1032 CE LYS A 67 -5.076 4.475 -10.148 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.497 5.214 -11.370 1.00 0.00 N ATOM 0 H LYS A 67 -4.987 6.552 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.082 8.502 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.813 7.676 -8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.604 8.605 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.862 6.659 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.212 6.306 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.833 4.772 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.106 5.740 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.072 4.077 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.738 3.623 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.436 4.882 -11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.540 6.232 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.810 5.045 -12.132 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.088 10.599 -6.613 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.628 11.878 -6.193 1.00 0.00 C ATOM 1049 C GLU A 68 -4.661 12.823 -7.382 1.00 0.00 C ATOM 1050 O GLU A 68 -3.811 12.737 -8.270 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.786 12.473 -5.064 1.00 0.00 C ATOM 1052 CG GLU A 68 -4.086 13.937 -4.789 1.00 0.00 C ATOM 1053 CD GLU A 68 -3.429 14.439 -3.517 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -2.543 13.733 -2.989 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -3.800 15.537 -3.049 1.00 0.00 O ATOM 0 H GLU A 68 -3.090 10.612 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.641 11.733 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.956 11.899 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.730 12.368 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.744 14.538 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.165 14.075 -4.715 1.00 0.00 H new ATOM 1062 N THR A 69 -5.631 13.723 -7.409 1.00 0.00 N ATOM 1063 CA THR A 69 -5.734 14.661 -8.510 1.00 0.00 C ATOM 1064 C THR A 69 -6.087 16.066 -8.015 1.00 0.00 C ATOM 1065 O THR A 69 -5.504 16.556 -7.048 1.00 0.00 O ATOM 1066 CB THR A 69 -6.754 14.173 -9.539 1.00 0.00 C ATOM 1067 OG1 THR A 69 -7.959 14.914 -9.462 1.00 0.00 O ATOM 1068 CG2 THR A 69 -7.101 12.714 -9.369 1.00 0.00 C ATOM 0 H THR A 69 -6.348 13.822 -6.691 1.00 0.00 H new ATOM 0 HA THR A 69 -4.759 14.718 -8.993 1.00 0.00 H new ATOM 0 HB THR A 69 -6.277 14.317 -10.509 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.591 14.581 -10.133 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.829 12.423 -10.126 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.200 12.110 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.525 12.554 -8.378 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.542 14.170 -3.730 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.070 13.552 -4.952 1.00 0.00 C ATOM 1151 C ARG A 75 -8.190 12.315 -4.772 1.00 0.00 C ATOM 1152 O ARG A 75 -7.080 12.278 -5.295 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.314 14.565 -5.768 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.457 14.317 -7.249 1.00 0.00 C ATOM 1155 CD ARG A 75 -9.036 12.938 -7.485 1.00 0.00 C ATOM 1156 NE ARG A 75 -10.135 12.965 -8.448 1.00 0.00 N ATOM 1157 CZ ARG A 75 -10.278 12.088 -9.438 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -9.402 11.105 -9.590 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -11.301 12.193 -10.274 1.00 0.00 N ATOM 0 HA ARG A 75 -9.972 13.203 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.677 15.565 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.259 14.536 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.104 15.074 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.486 14.402 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.252 12.273 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.392 12.527 -6.540 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.835 13.701 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.615 11.019 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.515 10.434 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.979 12.946 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.410 11.520 -11.033 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.661 11.306 -4.064 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.871 10.098 -3.878 1.00 0.00 C ATOM 1175 C TYR A 76 -8.528 8.928 -4.545 1.00 0.00 C ATOM 1176 O TYR A 76 -9.697 8.637 -4.302 1.00 0.00 O ATOM 1177 CB TYR A 76 -7.673 9.821 -2.406 1.00 0.00 C ATOM 1178 CG TYR A 76 -7.116 11.019 -1.727 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -7.473 12.274 -2.172 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.231 10.908 -0.683 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.973 13.402 -1.599 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.706 12.030 -0.085 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.080 13.287 -0.543 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.562 14.418 0.046 1.00 0.00 O ATOM 0 H TYR A 76 -9.575 11.295 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.895 10.252 -4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.624 9.545 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.999 8.974 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.166 12.364 -2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.944 9.929 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.268 14.376 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.009 11.934 0.734 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.954 14.160 0.770 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.782 8.262 -5.401 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.338 7.139 -6.106 1.00 0.00 C ATOM 1196 C TYR A 77 -7.313 6.078 -6.448 1.00 0.00 C ATOM 1197 O TYR A 77 -6.228 6.368 -6.952 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.998 7.631 -7.393 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.024 8.137 -8.449 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.386 9.383 -8.337 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.746 7.365 -9.572 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.511 9.821 -9.313 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -6.871 7.805 -10.547 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.259 9.031 -10.414 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.387 9.470 -11.385 1.00 0.00 O ATOM 0 H TYR A 77 -6.809 8.477 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.066 6.675 -5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.586 6.818 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.695 8.432 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.582 10.007 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.223 6.403 -9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.026 10.781 -9.213 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.668 7.189 -11.411 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.319 8.795 -12.093 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.717 4.834 -6.241 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.903 3.695 -6.599 1.00 0.00 C ATOM 1217 C VAL A 78 -7.742 2.868 -7.551 1.00 0.00 C ATOM 1218 O VAL A 78 -7.936 1.664 -7.389 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.538 2.860 -5.359 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.425 3.530 -4.570 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -7.768 2.662 -4.490 1.00 0.00 C ATOM 0 H VAL A 78 -8.615 4.592 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.965 4.015 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.178 1.884 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.182 2.924 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.541 3.630 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.753 4.518 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.503 2.070 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.148 3.632 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.537 2.141 -5.061 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.247 3.588 -8.541 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.104 3.052 -9.581 1.00 0.00 C ATOM 1233 C ALA A 79 -9.574 4.212 -10.452 1.00 0.00 C ATOM 1234 O ALA A 79 -9.501 5.364 -10.032 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.282 2.303 -8.979 1.00 0.00 C ATOM 0 H ALA A 79 -8.066 4.587 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.551 2.336 -10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.910 1.910 -9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.915 1.479 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.867 2.982 -8.359 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.055 3.932 -11.649 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.512 5.001 -12.527 1.00 0.00 C ATOM 1243 C GLU A 80 -11.987 5.307 -12.320 1.00 0.00 C ATOM 1244 O GLU A 80 -12.805 5.166 -13.229 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.237 4.658 -13.989 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.400 3.401 -14.174 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.290 3.583 -15.189 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.592 3.606 -16.402 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.118 3.703 -14.772 1.00 0.00 O ATOM 0 H GLU A 80 -10.140 2.991 -12.034 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.948 5.897 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.187 4.531 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.726 5.497 -14.460 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.967 3.113 -13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.046 2.582 -14.491 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.307 5.747 -11.113 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.672 6.108 -10.756 1.00 0.00 C ATOM 1258 C LYS A 81 -13.826 6.202 -9.240 1.00 0.00 C ATOM 1259 O LYS A 81 -14.775 6.803 -8.739 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.664 5.101 -11.332 1.00 0.00 C ATOM 1261 CG LYS A 81 -16.013 5.104 -10.628 1.00 0.00 C ATOM 1262 CD LYS A 81 -16.251 3.802 -9.885 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.444 2.671 -10.491 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.905 1.336 -10.014 1.00 0.00 N ATOM 0 H LYS A 81 -11.633 5.864 -10.356 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.888 7.087 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.815 5.317 -12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.233 4.102 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.058 5.938 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.807 5.258 -11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.981 3.924 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.312 3.552 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.520 2.713 -11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.391 2.802 -10.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.102 0.817 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.641 1.461 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.294 0.797 -10.814 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.874 5.620 -8.517 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.893 5.653 -7.060 1.00 0.00 C ATOM 1280 C TYR A 82 -11.979 6.761 -6.546 1.00 0.00 C ATOM 1281 O TYR A 82 -10.784 6.542 -6.354 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.436 4.315 -6.475 1.00 0.00 C ATOM 1283 CG TYR A 82 -13.012 3.099 -7.164 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.726 2.824 -8.496 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.830 2.214 -6.472 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.240 1.700 -9.116 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.350 1.092 -7.089 1.00 0.00 C ATOM 1288 CZ TYR A 82 -14.051 0.839 -8.410 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.563 -0.281 -9.025 1.00 0.00 O ATOM 0 H TYR A 82 -12.080 5.120 -8.917 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.918 5.845 -6.744 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.348 4.264 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.709 4.282 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.093 3.498 -9.055 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.063 2.406 -5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.006 1.498 -10.151 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.988 0.417 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.114 -0.782 -8.387 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.535 7.947 -6.327 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.754 9.073 -5.844 1.00 0.00 C ATOM 1301 C VAL A 83 -12.300 9.587 -4.517 1.00 0.00 C ATOM 1302 O VAL A 83 -13.514 9.688 -4.333 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.731 10.218 -6.864 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -11.143 11.470 -6.229 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.946 9.804 -8.107 1.00 0.00 C ATOM 0 H VAL A 83 -13.523 8.151 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.735 8.716 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.752 10.443 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.131 12.278 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.751 11.764 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.125 11.266 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.938 10.626 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.922 9.558 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.417 8.932 -8.561 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.402 9.896 -3.590 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.806 10.384 -2.273 1.00 0.00 C ATOM 1317 C PHE A 84 -10.794 11.374 -1.692 1.00 0.00 C ATOM 1318 O PHE A 84 -9.643 11.422 -2.120 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.999 9.205 -1.320 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.475 7.956 -2.008 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.622 7.234 -2.827 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.775 7.507 -1.838 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.056 6.087 -3.465 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.214 6.360 -2.471 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.354 5.650 -3.285 1.00 0.00 C ATOM 0 H PHE A 84 -10.394 9.819 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.749 10.917 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.056 8.996 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.718 9.484 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.606 7.571 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.452 8.060 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.382 5.534 -4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.229 6.019 -2.329 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.696 4.753 -3.781 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.244 12.160 -0.713 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.405 13.155 -0.050 1.00 0.00 C ATOM 1337 C ASP A 85 -9.523 12.533 1.025 1.00 0.00 C ATOM 1338 O ASP A 85 -8.751 13.232 1.682 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.278 14.244 0.581 1.00 0.00 C ATOM 1340 CG ASP A 85 -10.957 14.464 2.047 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -9.863 14.988 2.342 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -11.802 14.115 2.898 1.00 0.00 O ATOM 0 H ASP A 85 -12.200 12.124 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.757 13.589 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.139 15.178 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.328 13.969 0.479 1.00 0.00 H new ATOM 1347 N SER A 86 -9.647 11.231 1.215 1.00 0.00 N ATOM 1348 CA SER A 86 -8.865 10.545 2.225 1.00 0.00 C ATOM 1349 C SER A 86 -8.398 9.187 1.731 1.00 0.00 C ATOM 1350 O SER A 86 -9.205 8.309 1.420 1.00 0.00 O ATOM 1351 CB SER A 86 -9.681 10.382 3.509 1.00 0.00 C ATOM 1352 OG SER A 86 -9.391 11.416 4.434 1.00 0.00 O ATOM 0 H SER A 86 -10.279 10.631 0.685 1.00 0.00 H new ATOM 0 HA SER A 86 -7.985 11.152 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.745 10.391 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.464 9.414 3.961 1.00 0.00 H new ATOM 0 HG SER A 86 -9.927 11.289 5.245 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.091 9.003 1.679 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.550 7.738 1.244 1.00 0.00 C ATOM 1360 C ILE A 87 -7.083 6.642 2.159 1.00 0.00 C ATOM 1361 O ILE A 87 -7.415 5.537 1.721 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.010 7.740 1.268 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.458 9.092 0.811 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.476 6.640 0.376 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -4.274 9.191 -0.691 1.00 0.00 C ATOM 0 H ILE A 87 -6.396 9.706 1.930 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.859 7.560 0.214 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.685 7.564 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.134 9.882 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.500 9.269 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.386 6.649 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.838 5.675 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.818 6.802 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.880 10.175 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.575 8.423 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.234 9.046 -1.186 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.207 6.968 3.453 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.736 6.050 4.461 1.00 0.00 C ATOM 1379 C PRO A 88 -9.197 5.733 4.187 1.00 0.00 C ATOM 1380 O PRO A 88 -9.603 4.570 4.178 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.591 6.826 5.777 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.652 7.946 5.467 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.873 8.274 4.025 1.00 0.00 C ATOM 0 HA PRO A 88 -7.214 5.093 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.554 7.203 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.197 6.189 6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.852 8.811 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.618 7.651 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.680 8.994 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.983 8.703 3.565 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.980 6.776 3.914 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.381 6.584 3.588 1.00 0.00 C ATOM 1393 C LEU A 89 -11.447 5.827 2.285 1.00 0.00 C ATOM 1394 O LEU A 89 -12.207 4.870 2.137 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.123 7.920 3.496 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.565 8.351 2.093 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.385 8.891 1.306 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.224 7.200 1.349 1.00 0.00 C ATOM 0 H LEU A 89 -9.668 7.747 3.913 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.874 6.016 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.006 7.866 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.480 8.698 3.907 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.302 9.146 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.717 9.192 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.965 9.753 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.624 8.116 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.527 7.534 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.517 6.376 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.101 6.864 1.902 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.586 6.224 1.359 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.494 5.534 0.094 1.00 0.00 C ATOM 1412 C LEU A 90 -10.146 4.091 0.412 1.00 0.00 C ATOM 1413 O LEU A 90 -10.747 3.147 -0.117 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.437 6.191 -0.800 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.432 5.238 -1.445 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.083 5.712 -2.851 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.184 5.138 -0.588 1.00 0.00 C ATOM 0 H LEU A 90 -9.949 7.014 1.464 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.433 5.582 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.947 6.742 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.888 6.922 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.881 4.247 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.366 5.024 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.987 5.742 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.646 6.709 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.474 4.456 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.730 6.124 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.450 4.762 0.400 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.213 3.928 1.356 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.834 2.606 1.810 1.00 0.00 C ATOM 1431 C ILE A 91 -10.080 1.927 2.359 1.00 0.00 C ATOM 1432 O ILE A 91 -10.387 0.785 2.014 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.793 2.645 2.945 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.379 2.894 2.424 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.833 1.338 3.706 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.110 2.305 1.062 1.00 0.00 C ATOM 0 H ILE A 91 -8.716 4.694 1.811 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.397 2.075 0.964 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.049 3.476 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.202 3.969 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.664 2.480 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.097 1.362 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.827 1.193 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.603 0.515 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.085 2.527 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.252 1.225 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.799 2.737 0.336 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.814 2.662 3.199 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.049 2.151 3.773 1.00 0.00 C ATOM 1450 C GLN A 92 -13.034 1.855 2.661 1.00 0.00 C ATOM 1451 O GLN A 92 -13.762 0.863 2.699 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.642 3.157 4.765 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.772 3.994 4.187 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.669 4.580 5.259 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.794 5.149 4.842 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -14.355 4.522 6.448 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.571 3.608 3.492 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.836 1.231 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.011 2.618 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.850 3.821 5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.351 4.802 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.369 3.377 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.480 4.075 6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.969 4.921 7.158 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.026 2.713 1.648 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.893 2.532 0.502 1.00 0.00 C ATOM 1467 C TYR A 93 -13.509 1.247 -0.206 1.00 0.00 C ATOM 1468 O TYR A 93 -14.361 0.434 -0.565 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.792 3.719 -0.457 1.00 0.00 C ATOM 1470 CG TYR A 93 -15.066 3.976 -1.229 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -16.187 4.507 -0.602 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.151 3.684 -2.585 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -17.353 4.741 -1.303 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.314 3.916 -3.293 1.00 0.00 C ATOM 1475 CZ TYR A 93 -17.412 4.443 -2.648 1.00 0.00 C ATOM 1476 OH TYR A 93 -18.573 4.673 -3.350 1.00 0.00 O ATOM 0 H TYR A 93 -12.428 3.538 1.601 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.927 2.471 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.532 4.613 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.979 3.540 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.145 4.741 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.293 3.269 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.215 5.155 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.363 3.686 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.447 4.410 -4.286 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.207 1.058 -0.373 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.693 -0.150 -1.006 1.00 0.00 C ATOM 1488 C HIS A 94 -11.486 -1.240 0.034 1.00 0.00 C ATOM 1489 O HIS A 94 -10.895 -2.275 -0.256 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.375 0.127 -1.726 1.00 0.00 C ATOM 1491 CG HIS A 94 -10.395 1.382 -2.531 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.954 2.589 -2.041 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -10.820 1.617 -3.793 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -10.112 3.518 -2.970 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -10.634 2.953 -4.043 1.00 0.00 N ATOM 0 H HIS A 94 -11.490 1.722 -0.081 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.427 -0.483 -1.740 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.573 0.188 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.143 -0.713 -2.381 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.567 2.743 -1.110 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.230 0.888 -4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.857 4.562 -2.868 1.00 0.00 H new ATOM 1504 N GLN A 95 -11.970 -0.993 1.249 1.00 0.00 N ATOM 1505 CA GLN A 95 -11.832 -1.958 2.334 1.00 0.00 C ATOM 1506 C GLN A 95 -13.181 -2.550 2.715 1.00 0.00 C ATOM 1507 O GLN A 95 -13.269 -3.716 3.101 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.192 -1.297 3.557 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.744 -1.807 4.878 1.00 0.00 C ATOM 1510 CD GLN A 95 -12.691 -0.821 5.533 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.365 -0.020 4.716 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -12.814 -0.778 6.756 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.459 -0.136 1.505 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.188 -2.764 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.116 -1.468 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.345 -0.219 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.265 -2.749 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.917 -2.017 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.276 -1.413 7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.454 -0.107 7.181 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.228 -1.745 2.604 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.569 -2.202 2.936 1.00 0.00 C ATOM 1523 C TYR A 96 -16.641 -1.414 2.185 1.00 0.00 C ATOM 1524 O TYR A 96 -17.759 -1.252 2.675 1.00 0.00 O ATOM 1525 CB TYR A 96 -15.810 -2.112 4.443 1.00 0.00 C ATOM 1526 CG TYR A 96 -16.003 -0.696 4.877 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -15.803 0.308 3.962 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -16.380 -0.362 6.168 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -15.970 1.635 4.308 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -16.553 0.960 6.532 1.00 0.00 C ATOM 1531 CZ TYR A 96 -16.347 1.956 5.598 1.00 0.00 C ATOM 1532 OH TYR A 96 -16.520 3.274 5.953 1.00 0.00 O ATOM 0 H TYR A 96 -14.175 -0.777 2.288 1.00 0.00 H new ATOM 0 HA TYR A 96 -15.642 -3.244 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.689 -2.699 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -14.964 -2.546 4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.510 0.056 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.540 -1.143 6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.808 2.414 3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -16.847 1.212 7.540 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.733 3.802 5.156 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.298 -0.935 0.994 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.235 -0.177 0.179 1.00 0.00 C ATOM 1544 C ASN A 97 -17.228 -0.673 -1.264 1.00 0.00 C ATOM 1545 O ASN A 97 -17.304 0.118 -2.204 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.901 1.316 0.219 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.083 1.913 1.602 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.586 3.003 1.889 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -17.797 1.203 2.467 1.00 0.00 N ATOM 0 H ASN A 97 -15.377 -1.059 0.573 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.232 -0.326 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.871 1.464 -0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.537 1.847 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.952 1.556 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.191 0.305 2.187 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.136 -1.989 -1.431 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.121 -2.568 -2.761 1.00 0.00 C ATOM 1558 C GLY A 98 -15.728 -2.609 -3.360 1.00 0.00 C ATOM 1559 O GLY A 98 -15.278 -3.653 -3.831 1.00 0.00 O ATOM 0 H GLY A 98 -17.072 -2.664 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.525 -3.580 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.777 -1.991 -3.413 1.00 0.00 H new ATOM 1563 N GLY A 99 -15.045 -1.469 -3.342 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.703 -1.400 -3.890 1.00 0.00 C ATOM 1565 C GLY A 99 -13.489 -2.375 -5.031 1.00 0.00 C ATOM 1566 O GLY A 99 -14.446 -2.820 -5.663 1.00 0.00 O ATOM 0 H GLY A 99 -15.397 -0.592 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.510 -0.387 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.981 -1.606 -3.100 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.229 -2.705 -5.292 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.912 -3.631 -6.364 1.00 0.00 C ATOM 1572 C GLY A 100 -10.567 -4.303 -6.169 1.00 0.00 C ATOM 1573 O GLY A 100 -10.435 -5.513 -6.355 1.00 0.00 O ATOM 0 H GLY A 100 -11.422 -2.348 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.690 -4.392 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.914 -3.097 -7.314 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.565 -3.512 -5.796 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.219 -4.030 -5.575 1.00 0.00 C ATOM 1579 C LEU A 101 -8.254 -5.347 -4.803 1.00 0.00 C ATOM 1580 O LEU A 101 -9.323 -5.891 -4.529 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.377 -3.004 -4.815 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.158 -2.098 -3.859 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -8.221 -2.717 -2.471 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.522 -0.717 -3.800 1.00 0.00 C ATOM 0 H LEU A 101 -9.660 -2.508 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.767 -4.217 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.614 -3.535 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.856 -2.378 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.176 -1.994 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.780 -2.060 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.718 -3.685 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.210 -2.850 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.088 -0.084 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.495 -0.804 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.527 -0.271 -4.795 1.00 0.00 H new ATOM 1596 N VAL A 102 -7.073 -5.855 -4.456 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.967 -7.108 -3.719 1.00 0.00 C ATOM 1598 C VAL A 102 -7.992 -7.175 -2.594 1.00 0.00 C ATOM 1599 O VAL A 102 -7.937 -6.395 -1.643 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.557 -7.297 -3.127 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.634 -7.721 -1.666 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.770 -8.312 -3.943 1.00 0.00 C ATOM 0 H VAL A 102 -6.178 -5.417 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.163 -7.909 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.036 -6.341 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.626 -7.848 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.155 -6.955 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.176 -8.664 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.776 -8.434 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.290 -9.270 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.679 -7.960 -4.971 1.00 0.00 H new ATOM 1612 N THR A 103 -8.928 -8.110 -2.709 1.00 0.00 N ATOM 1613 CA THR A 103 -9.968 -8.277 -1.701 1.00 0.00 C ATOM 1614 C THR A 103 -10.175 -6.986 -0.919 1.00 0.00 C ATOM 1615 O THR A 103 -10.415 -7.010 0.289 1.00 0.00 O ATOM 1616 CB THR A 103 -9.607 -9.415 -0.746 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.233 -9.232 0.512 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.119 -9.544 -0.505 1.00 0.00 C ATOM 0 H THR A 103 -8.988 -8.764 -3.490 1.00 0.00 H new ATOM 0 HA THR A 103 -10.898 -8.526 -2.212 1.00 0.00 H new ATOM 0 HB THR A 103 -9.960 -10.324 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.890 -8.416 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.932 -10.370 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.613 -9.736 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.739 -8.619 -0.072 1.00 0.00 H new ATOM 1626 N ARG A 104 -10.086 -5.858 -1.618 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.266 -4.555 -0.992 1.00 0.00 C ATOM 1628 C ARG A 104 -9.438 -4.442 0.285 1.00 0.00 C ATOM 1629 O ARG A 104 -9.005 -5.449 0.846 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.744 -4.326 -0.673 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.570 -5.601 -0.664 1.00 0.00 C ATOM 1632 CD ARG A 104 -14.045 -5.306 -0.440 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.900 -6.370 -0.959 1.00 0.00 N ATOM 1634 CZ ARG A 104 -16.092 -6.671 -0.454 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -16.565 -5.989 0.581 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -16.811 -7.651 -0.982 1.00 0.00 N ATOM 0 H ARG A 104 -9.890 -5.822 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.924 -3.792 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.826 -3.843 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.163 -3.637 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.442 -6.126 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.207 -6.266 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.231 -5.179 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.304 -4.364 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.563 -6.913 -1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -16.014 -5.234 0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.480 -6.220 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.450 -8.177 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.725 -7.880 -0.592 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.229 -3.212 0.750 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.466 -2.980 1.969 1.00 0.00 C ATOM 1652 C LEU A 105 -9.099 -3.755 3.121 1.00 0.00 C ATOM 1653 O LEU A 105 -10.239 -3.496 3.502 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.412 -1.482 2.293 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.352 -0.682 1.525 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.097 -0.488 2.366 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.010 -1.369 0.212 1.00 0.00 C ATOM 0 H LEU A 105 -9.577 -2.365 0.301 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.444 -3.330 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.390 -1.047 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.229 -1.365 3.361 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.768 0.301 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.362 0.082 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.350 0.054 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.679 -1.461 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.257 -0.786 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.621 -2.367 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.907 -1.447 -0.402 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.364 -4.729 3.648 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.870 -5.560 4.728 1.00 0.00 C ATOM 1671 C ARG A 106 -8.161 -5.289 6.051 1.00 0.00 C ATOM 1672 O ARG A 106 -8.755 -4.746 6.984 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.719 -7.036 4.357 1.00 0.00 C ATOM 1674 CG ARG A 106 -10.042 -7.776 4.251 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.430 -8.414 5.575 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.567 -7.426 6.641 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.419 -7.548 7.653 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.206 -8.613 7.735 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -11.486 -6.607 8.584 1.00 0.00 N ATOM 0 H ARG A 106 -7.418 -4.960 3.344 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.922 -5.311 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.193 -7.111 3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.096 -7.528 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.823 -7.084 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.969 -8.545 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.371 -8.951 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.676 -9.149 5.857 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.976 -6.596 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.157 -9.339 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.860 -8.705 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.883 -5.787 8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.141 -6.703 9.360 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.899 -5.693 6.136 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.121 -5.519 7.355 1.00 0.00 C ATOM 1695 C TYR A 107 -4.935 -4.591 7.132 1.00 0.00 C ATOM 1696 O TYR A 107 -4.150 -4.774 6.203 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.623 -6.875 7.854 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.931 -6.810 9.198 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.631 -6.461 10.346 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.576 -7.097 9.317 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.003 -6.400 11.574 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -2.941 -7.041 10.543 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.658 -6.691 11.667 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.028 -6.632 12.890 1.00 0.00 O ATOM 0 H TYR A 107 -6.393 -6.144 5.374 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.771 -5.066 8.104 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.468 -7.560 7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.934 -7.292 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.684 -6.233 10.277 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.011 -7.368 8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.562 -6.126 12.457 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.888 -7.270 10.620 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.083 -6.866 12.783 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.791 -3.577 7.994 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.709 -2.612 7.918 1.00 0.00 C ATOM 1716 C PRO A 108 -2.487 -3.054 8.715 1.00 0.00 C ATOM 1717 O PRO A 108 -2.226 -2.544 9.801 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.322 -1.352 8.543 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.599 -1.778 9.208 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.674 -3.281 9.118 1.00 0.00 C ATOM 0 HA PRO A 108 -3.352 -2.473 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.639 -0.907 9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.516 -0.597 7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.616 -1.454 10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.458 -1.321 8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.335 -3.760 10.037 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.692 -3.626 8.936 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.740 -4.008 8.176 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.555 -4.507 8.855 1.00 0.00 C ATOM 1730 C VAL A 109 0.661 -3.642 8.540 1.00 0.00 C ATOM 1731 O VAL A 109 1.715 -4.151 8.159 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.254 -5.969 8.474 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.288 -6.057 7.058 1.00 0.00 C ATOM 1734 CG2 VAL A 109 0.722 -6.588 9.465 1.00 0.00 C ATOM 0 H VAL A 109 -1.933 -4.449 7.276 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.761 -4.462 9.924 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.187 -6.532 8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.493 -7.099 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.448 -5.657 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.209 -5.478 6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.923 -7.621 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.654 -6.022 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.289 -6.565 10.465 1.00 0.00 H new ATOM 1744 N CYS A 110 0.508 -2.330 8.706 1.00 0.00 N ATOM 1745 CA CYS A 110 1.593 -1.394 8.441 1.00 0.00 C ATOM 1746 C CYS A 110 2.898 -1.886 9.060 1.00 0.00 C ATOM 1747 O CYS A 110 3.310 -1.413 10.120 1.00 0.00 O ATOM 1748 CB CYS A 110 1.246 -0.008 8.988 1.00 0.00 C ATOM 1749 SG CYS A 110 1.387 0.131 10.785 1.00 0.00 S ATOM 0 H CYS A 110 -0.358 -1.893 9.023 1.00 0.00 H new ATOM 0 HA CYS A 110 1.726 -1.327 7.361 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.902 0.729 8.524 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.227 0.243 8.694 1.00 0.00 H new ATOM 0 HG CYS A 110 2.456 -0.490 11.186 1.00 0.00 H new ATOM 1755 N GLY A 111 3.543 -2.838 8.395 1.00 0.00 N ATOM 1756 CA GLY A 111 4.794 -3.377 8.897 1.00 0.00 C ATOM 1757 C GLY A 111 4.769 -3.599 10.396 1.00 0.00 C ATOM 1758 O GLY A 111 4.289 -4.668 10.828 1.00 0.00 O ATOM 0 H GLY A 111 3.222 -3.246 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.006 -4.322 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.606 -2.695 8.647 1.00 0.00 H new