USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 69 SER OG : rot -71:sc= -0.931 USER MOD Set 1.2: A 70 ASN : amide:sc= -1.31 K(o=-2.2,f=-4.2!) USER MOD Set 2.1: A 66 ASN : amide:sc= -8.35! C(o=-17!,f=-8.7!) USER MOD Set 2.2: A 73 GLN : amide:sc= -9.12! C(o=-17!,f=-8.7!) USER MOD Set 3.1: A 31 THR OG1 : rot 151:sc= -6.67! USER MOD Set 3.2: A 39 GLN : amide:sc= -5.3! C(o=-12!,f=-14!) USER MOD Set 4.1: A 1 GLY N :NH3+ -167:sc= -23.1! (180deg=-16.7!) USER MOD Set 4.2: A 23 ASN : amide:sc= -16! C(o=-39!,f=-42!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 1 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0621 X(o=-0.062,f=-0.49) USER MOD Single : A 12 ASN : amide:sc= -1.53! C(o=-1.5!,f=-1.8!) USER MOD Single : A 13 ASN : amide:sc= -2.01 K(o=-2,f=-2.8) USER MOD Single : A 18 ASN : amide:sc= -15.8! C(o=-16!,f=-20!) USER MOD Single : A 21 SER OG : rot 32:sc= 0.891 USER MOD Single : A 22 ASN : amide:sc= -5.48! C(o=-5.5!,f=-4.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 3:sc= 0.878 USER MOD Single : A 34 SER OG : rot -35:sc= 0.394 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 150:sc= -6.41! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -2.04 (180deg=-2.98!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -5.7! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0834) USER MOD Single : A 61 ASN : amide:sc= -2.28 X(o=-2.3,f=-2) USER MOD Single : A 71 SER OG : rot 97:sc= -1.46! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -63:sc= 1.15 USER MOD Single : A 83 SER OG : rot 43:sc= 1.23 USER MOD Single : A 87 GLN : amide:sc= -7.03! C(o=-7!,f=-11!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.855 -5.476 3.741 1.00 1.00 N ATOM 2 CA GLY A 1 6.500 -6.430 2.979 1.00 1.00 C ATOM 3 C GLY A 1 6.269 -7.606 3.776 1.00 1.00 C ATOM 4 O GLY A 1 7.030 -8.541 3.665 1.00 1.00 O ATOM 0 H1 GLY A 1 6.811 -4.579 3.217 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.216 -5.430 4.561 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.828 -5.638 4.069 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.595 -6.160 2.435 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.273 -6.625 2.235 1.00 1.00 H new ATOM 10 N SER A 2 5.173 -7.635 4.691 1.00 1.00 N ATOM 11 CA SER A 2 4.982 -8.857 5.514 1.00 1.00 C ATOM 12 C SER A 2 3.892 -9.715 4.954 1.00 1.00 C ATOM 13 O SER A 2 4.145 -10.843 4.510 1.00 1.00 O ATOM 14 CB SER A 2 4.702 -8.487 6.954 1.00 1.00 C ATOM 15 OG SER A 2 5.322 -9.419 7.825 1.00 1.00 O ATOM 0 H SER A 2 4.497 -6.885 4.837 1.00 1.00 H new ATOM 0 HA SER A 2 5.905 -9.437 5.486 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.074 -7.483 7.159 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.627 -8.471 7.131 1.00 1.00 H new ATOM 0 HG SER A 2 5.137 -9.171 8.755 1.00 1.00 H new ATOM 21 N GLY A 3 2.728 -9.283 5.036 1.00 1.00 N ATOM 22 CA GLY A 3 1.623 -10.056 4.581 1.00 1.00 C ATOM 23 C GLY A 3 0.451 -9.174 4.281 1.00 1.00 C ATOM 24 O GLY A 3 0.506 -8.002 4.491 1.00 1.00 O ATOM 0 H GLY A 3 2.480 -8.372 5.422 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.905 -10.612 3.687 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.348 -10.789 5.339 1.00 1.00 H new ATOM 28 N PRO A 4 -0.607 -9.728 3.784 1.00 1.00 N ATOM 29 CA PRO A 4 -1.820 -8.940 3.432 1.00 1.00 C ATOM 30 C PRO A 4 -2.272 -8.243 4.503 1.00 1.00 C ATOM 31 O PRO A 4 -3.212 -8.659 5.150 1.00 1.00 O ATOM 32 CB PRO A 4 -2.856 -9.989 2.966 1.00 1.00 C ATOM 33 CG PRO A 4 -2.287 -11.317 3.437 1.00 1.00 C ATOM 34 CD PRO A 4 -0.760 -11.129 3.514 1.00 1.00 C ATOM 0 HA PRO A 4 -1.619 -8.200 2.658 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.837 -9.800 3.402 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.980 -9.971 1.883 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.695 -11.592 4.410 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.546 -12.118 2.745 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.320 -11.740 4.302 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.273 -11.413 2.581 1.00 1.00 H new ATOM 42 N THR A 5 -1.690 -7.165 4.765 1.00 1.00 N ATOM 43 CA THR A 5 -2.066 -6.403 5.836 1.00 1.00 C ATOM 44 C THR A 5 -0.980 -5.577 6.324 1.00 1.00 C ATOM 45 O THR A 5 -1.247 -4.740 7.038 1.00 1.00 O ATOM 46 CB THR A 5 -2.492 -7.250 7.107 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.253 -6.480 8.299 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.673 -8.643 7.225 1.00 1.00 C ATOM 0 H THR A 5 -0.917 -6.783 4.220 1.00 1.00 H new ATOM 0 HA THR A 5 -2.903 -5.826 5.443 1.00 1.00 H new ATOM 0 HB THR A 5 -3.550 -7.486 6.995 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.414 -5.531 8.113 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.002 -9.185 8.112 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.858 -9.250 6.339 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.606 -8.432 7.304 1.00 1.00 H new ATOM 56 N TYR A 6 0.429 -6.006 6.127 1.00 1.00 N ATOM 57 CA TYR A 6 1.461 -5.290 6.855 1.00 1.00 C ATOM 58 C TYR A 6 1.267 -4.067 7.034 1.00 1.00 C ATOM 59 O TYR A 6 1.791 -3.480 8.004 1.00 1.00 O ATOM 60 CB TYR A 6 2.863 -5.449 6.448 1.00 1.00 C ATOM 61 CG TYR A 6 3.774 -5.092 7.892 1.00 1.00 C ATOM 62 CD1 TYR A 6 3.938 -6.092 8.905 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.316 -3.804 8.148 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.630 -5.798 10.090 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.006 -3.542 9.343 1.00 1.00 C ATOM 66 CZ TYR A 6 5.162 -4.532 10.299 1.00 1.00 C ATOM 67 OH TYR A 6 5.836 -4.254 11.471 1.00 1.00 O ATOM 0 H TYR A 6 0.746 -6.764 5.523 1.00 1.00 H new ATOM 0 HA TYR A 6 1.331 -5.841 7.786 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.062 -6.460 6.092 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.121 -4.769 5.636 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.526 -7.079 8.756 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.196 -3.019 7.417 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.750 -6.561 10.845 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.419 -2.559 9.518 1.00 1.00 H new ATOM 0 HH TYR A 6 6.145 -3.324 11.458 1.00 1.00 H new ATOM 77 N CYS A 7 0.503 -3.508 6.217 1.00 1.00 N ATOM 78 CA CYS A 7 0.243 -2.236 6.392 1.00 1.00 C ATOM 79 C CYS A 7 1.405 -1.351 6.603 1.00 1.00 C ATOM 80 O CYS A 7 1.329 -0.448 7.446 1.00 1.00 O ATOM 81 CB CYS A 7 -0.599 -2.128 7.589 1.00 1.00 C ATOM 82 SG CYS A 7 -1.295 -0.386 7.725 1.00 1.00 S ATOM 0 H CYS A 7 0.056 -3.953 5.415 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.220 -1.901 5.464 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.413 -2.851 7.539 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.015 -2.366 8.478 1.00 1.00 H new ATOM 87 N TRP A 8 2.449 -1.548 5.874 1.00 1.00 N ATOM 88 CA TRP A 8 3.657 -0.577 6.021 1.00 1.00 C ATOM 89 C TRP A 8 3.054 0.645 6.397 1.00 1.00 C ATOM 90 O TRP A 8 2.317 1.163 5.581 1.00 1.00 O ATOM 91 CB TRP A 8 4.280 -0.390 4.707 1.00 1.00 C ATOM 92 CG TRP A 8 5.519 0.582 4.718 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.728 1.670 3.874 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.732 0.521 5.572 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.961 2.197 4.114 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.614 1.558 5.177 1.00 1.00 C ATOM 97 CE3 TRP A 8 7.152 -0.329 6.643 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.848 1.748 5.805 1.00 1.00 C ATOM 99 CZ3 TRP A 8 8.394 -0.121 7.269 1.00 1.00 C ATOM 100 CH2 TRP A 8 9.233 0.916 6.849 1.00 1.00 C ATOM 0 H TRP A 8 2.562 -2.298 5.193 1.00 1.00 H new ATOM 0 HA TRP A 8 4.410 -0.934 6.723 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.596 -1.361 4.325 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.533 -0.002 4.014 1.00 1.00 H new ATOM 0 HD1 TRP A 8 5.023 2.038 3.144 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.363 2.968 3.581 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.512 -1.134 6.972 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.503 2.542 5.478 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.702 -0.766 8.079 1.00 1.00 H new ATOM 0 HH2 TRP A 8 10.184 1.071 7.338 1.00 1.00 H new ATOM 111 N ASN A 9 3.164 1.133 7.657 1.00 1.00 N ATOM 112 CA ASN A 9 2.404 2.300 8.042 1.00 1.00 C ATOM 113 C ASN A 9 1.979 3.093 6.945 1.00 1.00 C ATOM 114 O ASN A 9 0.788 3.409 6.815 1.00 1.00 O ATOM 115 CB ASN A 9 3.167 3.147 9.077 1.00 1.00 C ATOM 116 CG ASN A 9 3.377 2.341 10.354 1.00 1.00 C ATOM 117 OD1 ASN A 9 2.441 1.724 10.859 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.557 2.308 10.908 1.00 1.00 N ATOM 0 H ASN A 9 3.756 0.738 8.387 1.00 1.00 H new ATOM 0 HA ASN A 9 1.494 1.920 8.505 1.00 1.00 H new ATOM 0 HB2 ASN A 9 4.130 3.455 8.669 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.608 4.056 9.298 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.705 1.770 11.762 1.00 1.00 H new ATOM 0 HD22 ASN A 9 5.332 2.820 10.488 1.00 1.00 H new ATOM 125 N GLU A 10 2.894 3.452 6.139 1.00 1.00 N ATOM 126 CA GLU A 10 2.602 4.248 5.035 1.00 1.00 C ATOM 127 C GLU A 10 1.796 5.368 5.520 1.00 1.00 C ATOM 128 O GLU A 10 0.567 5.370 5.326 1.00 1.00 O ATOM 129 CB GLU A 10 1.707 3.521 3.947 1.00 1.00 C ATOM 130 CG GLU A 10 2.505 2.759 3.083 1.00 1.00 C ATOM 131 CD GLU A 10 1.633 2.041 2.044 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.433 2.267 2.044 1.00 1.00 O ATOM 133 OE2 GLU A 10 2.181 1.276 1.269 1.00 1.00 O ATOM 0 H GLU A 10 3.877 3.196 6.233 1.00 1.00 H new ATOM 0 HA GLU A 10 3.551 4.525 4.576 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.977 2.878 4.439 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.146 4.261 3.376 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.225 3.404 2.580 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.077 2.028 3.655 1.00 1.00 H new ATOM 140 N ALA A 11 2.355 6.304 6.055 1.00 1.00 N ATOM 141 CA ALA A 11 1.672 7.416 6.472 1.00 1.00 C ATOM 142 C ALA A 11 2.744 8.152 7.197 1.00 1.00 C ATOM 143 O ALA A 11 3.143 7.718 8.268 1.00 1.00 O ATOM 144 CB ALA A 11 0.500 7.098 7.370 1.00 1.00 C ATOM 0 H ALA A 11 3.359 6.338 6.234 1.00 1.00 H new ATOM 0 HA ALA A 11 1.207 7.970 5.656 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.004 8.024 7.663 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.206 6.462 6.836 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.854 6.579 8.260 1.00 1.00 H new ATOM 150 N ASN A 12 3.176 9.202 6.671 1.00 1.00 N ATOM 151 CA ASN A 12 4.270 10.060 7.279 1.00 1.00 C ATOM 152 C ASN A 12 5.124 10.796 6.101 1.00 1.00 C ATOM 153 O ASN A 12 6.343 10.922 6.171 1.00 1.00 O ATOM 154 CB ASN A 12 5.208 9.195 8.186 1.00 1.00 C ATOM 155 CG ASN A 12 6.581 9.849 8.385 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.610 9.229 8.120 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.655 11.072 8.840 1.00 1.00 N ATOM 0 H ASN A 12 2.822 9.564 5.785 1.00 1.00 H new ATOM 0 HA ASN A 12 3.809 10.825 7.903 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.735 9.044 9.156 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.338 8.210 7.738 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.565 11.512 8.975 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.802 11.587 9.060 1.00 1.00 H new ATOM 164 N ASN A 13 4.399 11.367 5.117 1.00 1.00 N ATOM 165 CA ASN A 13 4.996 12.162 4.076 1.00 1.00 C ATOM 166 C ASN A 13 3.908 12.607 3.035 1.00 1.00 C ATOM 167 O ASN A 13 2.848 11.997 2.940 1.00 1.00 O ATOM 168 CB ASN A 13 6.120 11.420 3.351 1.00 1.00 C ATOM 169 CG ASN A 13 7.374 12.314 3.191 1.00 1.00 C ATOM 170 OD1 ASN A 13 7.818 12.566 2.072 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.956 12.800 4.250 1.00 1.00 N ATOM 0 H ASN A 13 3.386 11.277 5.040 1.00 1.00 H new ATOM 0 HA ASN A 13 5.429 13.039 4.557 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.381 10.520 3.907 1.00 1.00 H new ATOM 0 HB3 ASN A 13 5.772 11.099 2.369 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.782 13.391 4.152 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.586 12.590 5.177 1.00 1.00 H new ATOM 178 N PRO A 14 4.192 13.654 2.252 1.00 1.00 N ATOM 179 CA PRO A 14 3.271 14.163 1.195 1.00 1.00 C ATOM 180 C PRO A 14 3.509 13.493 -0.187 1.00 1.00 C ATOM 181 O PRO A 14 2.562 13.264 -0.939 1.00 1.00 O ATOM 182 CB PRO A 14 3.572 15.680 1.146 1.00 1.00 C ATOM 183 CG PRO A 14 4.759 15.858 2.072 1.00 1.00 C ATOM 184 CD PRO A 14 5.350 14.452 2.295 1.00 1.00 C ATOM 0 HA PRO A 14 2.229 13.938 1.424 1.00 1.00 H new ATOM 0 HB2 PRO A 14 3.806 16.006 0.133 1.00 1.00 H new ATOM 0 HB3 PRO A 14 2.716 16.266 1.480 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.499 16.525 1.631 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.451 16.304 3.017 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.066 14.180 1.519 1.00 1.00 H new ATOM 0 HD3 PRO A 14 5.869 14.371 3.250 1.00 1.00 H new ATOM 192 N GLY A 15 4.735 13.157 -0.479 1.00 1.00 N ATOM 193 CA GLY A 15 5.056 12.463 -1.776 1.00 1.00 C ATOM 194 C GLY A 15 4.203 11.295 -1.856 1.00 1.00 C ATOM 195 O GLY A 15 3.453 11.054 -2.800 1.00 1.00 O ATOM 0 H GLY A 15 5.539 13.331 0.124 1.00 1.00 H new ATOM 0 HA2 GLY A 15 4.880 13.127 -2.622 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.107 12.176 -1.809 1.00 1.00 H new ATOM 199 N GLY A 16 4.336 10.634 -0.874 1.00 1.00 N ATOM 200 CA GLY A 16 3.645 9.422 -0.600 1.00 1.00 C ATOM 201 C GLY A 16 3.447 9.368 0.827 1.00 1.00 C ATOM 202 O GLY A 16 3.619 10.372 1.490 1.00 1.00 O ATOM 0 H GLY A 16 4.979 10.897 -0.128 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.690 9.395 -1.124 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.221 8.563 -0.943 1.00 1.00 H new ATOM 206 N PRO A 17 3.111 8.263 1.381 1.00 1.00 N ATOM 207 CA PRO A 17 2.914 8.163 2.876 1.00 1.00 C ATOM 208 C PRO A 17 4.227 8.286 3.407 1.00 1.00 C ATOM 209 O PRO A 17 5.008 9.010 2.821 1.00 1.00 O ATOM 210 CB PRO A 17 2.382 6.703 2.954 1.00 1.00 C ATOM 211 CG PRO A 17 1.842 6.480 1.656 1.00 1.00 C ATOM 212 CD PRO A 17 2.862 7.023 0.761 1.00 1.00 C ATOM 0 HA PRO A 17 2.268 8.876 3.389 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.179 5.996 3.185 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.624 6.592 3.729 1.00 1.00 H new ATOM 0 HG2 PRO A 17 1.669 5.420 1.470 1.00 1.00 H new ATOM 0 HG3 PRO A 17 0.885 6.986 1.527 1.00 1.00 H new ATOM 0 HD2 PRO A 17 3.752 6.395 0.717 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.500 7.135 -0.261 1.00 1.00 H new ATOM 220 N ASN A 18 4.595 7.556 4.548 1.00 1.00 N ATOM 221 CA ASN A 18 5.987 7.625 5.001 1.00 1.00 C ATOM 222 C ASN A 18 6.898 7.598 3.711 1.00 1.00 C ATOM 223 O ASN A 18 8.118 7.724 3.788 1.00 1.00 O ATOM 224 CB ASN A 18 6.435 6.351 5.915 1.00 1.00 C ATOM 225 CG ASN A 18 5.274 5.641 6.556 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.437 6.236 7.093 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.232 4.349 6.541 1.00 1.00 N ATOM 0 H ASN A 18 3.973 6.969 5.104 1.00 1.00 H new ATOM 0 HA ASN A 18 6.092 8.527 5.604 1.00 1.00 H new ATOM 0 HB2 ASN A 18 6.987 5.644 5.295 1.00 1.00 H new ATOM 0 HB3 ASN A 18 7.117 6.693 6.693 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.465 3.858 7.000 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.966 3.820 6.070 1.00 1.00 H new ATOM 234 N ARG A 19 6.152 7.331 2.487 1.00 1.00 N ATOM 235 CA ARG A 19 6.688 7.197 1.224 1.00 1.00 C ATOM 236 C ARG A 19 7.064 5.922 1.178 1.00 1.00 C ATOM 237 O ARG A 19 7.987 5.573 1.771 1.00 1.00 O ATOM 238 CB ARG A 19 7.823 8.258 0.922 1.00 1.00 C ATOM 239 CG ARG A 19 7.162 9.481 0.253 1.00 1.00 C ATOM 240 CD ARG A 19 7.125 9.298 -1.331 1.00 1.00 C ATOM 241 NE ARG A 19 8.207 10.041 -1.953 1.00 1.00 N ATOM 242 CZ ARG A 19 8.217 10.248 -3.262 1.00 1.00 C ATOM 243 NH1 ARG A 19 7.270 9.739 -4.005 1.00 1.00 N ATOM 244 NH2 ARG A 19 9.167 10.951 -3.806 1.00 1.00 N ATOM 0 H ARG A 19 5.138 7.222 2.491 1.00 1.00 H new ATOM 0 HA ARG A 19 5.981 7.418 0.425 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.325 8.552 1.843 1.00 1.00 H new ATOM 0 HB3 ARG A 19 8.582 7.829 0.268 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.149 9.608 0.634 1.00 1.00 H new ATOM 0 HG3 ARG A 19 7.714 10.385 0.508 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.209 8.241 -1.583 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.167 9.643 -1.721 1.00 1.00 H new ATOM 0 HE ARG A 19 8.966 10.407 -1.377 1.00 1.00 H new ATOM 0 HH11 ARG A 19 6.528 9.185 -3.577 1.00 1.00 H new ATOM 0 HH12 ARG A 19 7.273 9.895 -5.013 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.907 11.345 -3.225 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.172 11.108 -4.814 1.00 1.00 H new ATOM 258 N CYS A 20 6.168 5.055 0.391 1.00 1.00 N ATOM 259 CA CYS A 20 6.384 3.575 0.257 1.00 1.00 C ATOM 260 C CYS A 20 7.868 3.542 0.633 1.00 1.00 C ATOM 261 O CYS A 20 8.652 4.250 -0.004 1.00 1.00 O ATOM 262 CB CYS A 20 6.052 3.146 -1.213 1.00 1.00 C ATOM 263 SG CYS A 20 5.973 1.249 -1.578 1.00 1.00 S ATOM 0 H CYS A 20 5.349 5.400 -0.110 1.00 1.00 H new ATOM 0 HA CYS A 20 5.778 2.893 0.853 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.091 3.583 -1.485 1.00 1.00 H new ATOM 0 HB3 CYS A 20 6.800 3.587 -1.872 1.00 1.00 H new ATOM 268 N SER A 21 8.229 2.913 1.683 1.00 1.00 N ATOM 269 CA SER A 21 9.699 3.059 2.175 1.00 1.00 C ATOM 270 C SER A 21 10.424 1.810 2.668 1.00 1.00 C ATOM 271 O SER A 21 11.512 1.927 3.173 1.00 1.00 O ATOM 272 CB SER A 21 9.665 4.112 3.305 1.00 1.00 C ATOM 273 OG SER A 21 10.786 3.938 4.165 1.00 1.00 O ATOM 0 H SER A 21 7.631 2.308 2.245 1.00 1.00 H new ATOM 0 HA SER A 21 10.283 3.333 1.297 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.675 5.115 2.879 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.741 4.017 3.875 1.00 1.00 H new ATOM 0 HG SER A 21 11.548 3.607 3.646 1.00 1.00 H new ATOM 279 N ASN A 22 9.892 0.690 2.479 1.00 1.00 N ATOM 280 CA ASN A 22 10.601 -0.584 2.892 1.00 1.00 C ATOM 281 C ASN A 22 10.062 -1.652 2.157 1.00 1.00 C ATOM 282 O ASN A 22 9.092 -1.505 1.509 1.00 1.00 O ATOM 283 CB ASN A 22 10.408 -0.890 4.393 1.00 1.00 C ATOM 284 CG ASN A 22 11.529 -0.289 5.258 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.285 0.541 4.807 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.675 -0.703 6.501 1.00 1.00 N ATOM 0 H ASN A 22 8.977 0.551 2.050 1.00 1.00 H new ATOM 0 HA ASN A 22 11.666 -0.455 2.700 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.447 -0.495 4.722 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.377 -1.969 4.541 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.424 -0.324 7.080 1.00 1.00 H new ATOM 0 HD22 ASN A 22 11.039 -1.403 6.884 1.00 1.00 H new ATOM 293 N ASN A 23 10.664 -2.817 2.292 1.00 1.00 N ATOM 294 CA ASN A 23 10.140 -3.928 1.631 1.00 1.00 C ATOM 295 C ASN A 23 9.778 -3.586 0.142 1.00 1.00 C ATOM 296 O ASN A 23 8.647 -3.758 -0.278 1.00 1.00 O ATOM 297 CB ASN A 23 8.864 -4.409 2.466 1.00 1.00 C ATOM 298 CG ASN A 23 8.435 -3.372 3.595 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.865 -2.337 3.323 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.712 -3.641 4.839 1.00 1.00 N ATOM 0 H ASN A 23 11.501 -2.988 2.850 1.00 1.00 H new ATOM 0 HA ASN A 23 10.875 -4.731 1.577 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.027 -4.563 1.785 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.080 -5.372 2.928 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.450 -2.984 5.574 1.00 1.00 H new ATOM 0 HD22 ASN A 23 9.191 -4.509 5.079 1.00 1.00 H new ATOM 307 N LYS A 24 10.798 -2.975 -0.585 1.00 1.00 N ATOM 308 CA LYS A 24 10.667 -2.454 -1.985 1.00 1.00 C ATOM 309 C LYS A 24 10.057 -1.129 -1.930 1.00 1.00 C ATOM 310 O LYS A 24 9.931 -0.474 -2.937 1.00 1.00 O ATOM 311 CB LYS A 24 9.882 -3.327 -2.924 1.00 1.00 C ATOM 312 CG LYS A 24 10.548 -4.666 -3.140 1.00 1.00 C ATOM 313 CD LYS A 24 9.547 -5.640 -3.944 1.00 1.00 C ATOM 314 CE LYS A 24 10.161 -6.060 -5.320 1.00 1.00 C ATOM 315 NZ LYS A 24 10.150 -4.898 -6.242 1.00 1.00 N ATOM 0 H LYS A 24 11.732 -2.838 -0.199 1.00 1.00 H new ATOM 0 HA LYS A 24 11.676 -2.430 -2.395 1.00 1.00 H new ATOM 0 HB2 LYS A 24 8.880 -3.481 -2.524 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.769 -2.819 -3.882 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.475 -4.537 -3.699 1.00 1.00 H new ATOM 0 HG3 LYS A 24 10.814 -5.111 -2.181 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.340 -6.528 -3.347 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.594 -5.136 -4.105 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.181 -6.418 -5.181 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.590 -6.883 -5.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.558 -5.177 -7.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.171 -4.576 -6.383 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.713 -4.125 -5.833 1.00 1.00 H new ATOM 329 N GLN A 25 9.694 -0.756 -0.703 1.00 1.00 N ATOM 330 CA GLN A 25 9.085 0.463 -0.357 1.00 1.00 C ATOM 331 C GLN A 25 7.781 0.216 0.213 1.00 1.00 C ATOM 332 O GLN A 25 7.242 1.104 0.767 1.00 1.00 O ATOM 333 CB GLN A 25 9.017 1.492 -1.485 1.00 1.00 C ATOM 334 CG GLN A 25 10.363 2.197 -1.605 1.00 1.00 C ATOM 335 CD GLN A 25 10.615 2.661 -3.053 1.00 1.00 C ATOM 336 OE1 GLN A 25 11.555 2.199 -3.700 1.00 1.00 O ATOM 337 NE2 GLN A 25 9.825 3.554 -3.592 1.00 1.00 N ATOM 0 H GLN A 25 9.841 -1.359 0.106 1.00 1.00 H new ATOM 0 HA GLN A 25 9.734 0.924 0.388 1.00 1.00 H new ATOM 0 HB2 GLN A 25 8.765 1.002 -2.425 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.230 2.218 -1.283 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.389 3.056 -0.934 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.160 1.523 -1.291 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.046 3.936 -3.055 1.00 1.00 H new ATOM 0 HE22 GLN A 25 9.988 3.868 -4.549 1.00 1.00 H new ATOM 346 N CYS A 26 7.190 -1.036 0.152 1.00 1.00 N ATOM 347 CA CYS A 26 5.817 -1.177 0.837 1.00 1.00 C ATOM 348 C CYS A 26 5.838 -2.300 1.739 1.00 1.00 C ATOM 349 O CYS A 26 6.633 -3.112 1.586 1.00 1.00 O ATOM 350 CB CYS A 26 4.810 -1.352 -0.234 1.00 1.00 C ATOM 351 SG CYS A 26 4.238 0.398 -0.811 1.00 1.00 S ATOM 0 H CYS A 26 7.570 -1.869 -0.298 1.00 1.00 H new ATOM 0 HA CYS A 26 5.571 -0.296 1.429 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.236 -1.908 -1.069 1.00 1.00 H new ATOM 0 HB3 CYS A 26 3.961 -1.928 0.133 1.00 1.00 H new ATOM 356 N ASP A 27 4.961 -2.405 2.602 1.00 1.00 N ATOM 357 CA ASP A 27 4.840 -3.523 3.504 1.00 1.00 C ATOM 358 C ASP A 27 3.551 -4.016 3.265 1.00 1.00 C ATOM 359 O ASP A 27 2.660 -3.291 2.832 1.00 1.00 O ATOM 360 CB ASP A 27 5.145 -3.173 5.042 1.00 1.00 C ATOM 361 CG ASP A 27 5.683 -4.386 5.827 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.293 -5.466 5.533 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.484 -4.177 6.718 1.00 1.00 O ATOM 0 H ASP A 27 4.242 -1.695 2.744 1.00 1.00 H new ATOM 0 HA ASP A 27 5.602 -4.279 3.314 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.872 -2.362 5.090 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.233 -2.812 5.517 1.00 1.00 H new ATOM 368 N GLY A 28 3.428 -5.317 3.395 1.00 1.00 N ATOM 369 CA GLY A 28 2.286 -6.008 3.063 1.00 1.00 C ATOM 370 C GLY A 28 2.690 -7.429 2.281 1.00 1.00 C ATOM 371 O GLY A 28 1.903 -8.002 1.651 1.00 1.00 O ATOM 0 H GLY A 28 4.175 -5.912 3.754 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.709 -6.228 3.961 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.654 -5.396 2.420 1.00 1.00 H new ATOM 375 N ALA A 29 3.966 -7.919 2.499 1.00 1.00 N ATOM 376 CA ALA A 29 4.492 -9.262 1.946 1.00 1.00 C ATOM 377 C ALA A 29 5.934 -9.247 1.453 1.00 1.00 C ATOM 378 O ALA A 29 6.588 -10.283 1.496 1.00 1.00 O ATOM 379 CB ALA A 29 3.555 -9.882 0.878 1.00 1.00 C ATOM 0 H ALA A 29 4.660 -7.415 3.052 1.00 1.00 H new ATOM 0 HA ALA A 29 4.490 -9.906 2.825 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.977 -10.824 0.527 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.574 -10.065 1.317 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.454 -9.194 0.039 1.00 1.00 H new ATOM 385 N ARG A 30 6.407 -8.152 0.902 1.00 1.00 N ATOM 386 CA ARG A 30 7.828 -8.176 0.300 1.00 1.00 C ATOM 387 C ARG A 30 8.910 -8.964 1.261 1.00 1.00 C ATOM 388 O ARG A 30 8.620 -9.474 2.333 1.00 1.00 O ATOM 389 CB ARG A 30 8.422 -6.653 -0.251 1.00 1.00 C ATOM 390 CG ARG A 30 7.475 -6.028 -1.187 1.00 1.00 C ATOM 391 CD ARG A 30 6.303 -5.180 -0.515 1.00 1.00 C ATOM 392 NE ARG A 30 6.321 -3.873 -1.068 1.00 1.00 N ATOM 393 CZ ARG A 30 6.386 -3.677 -2.450 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.342 -4.713 -3.261 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.459 -2.476 -2.945 1.00 1.00 N ATOM 0 H ARG A 30 5.911 -7.263 0.832 1.00 1.00 H new ATOM 0 HA ARG A 30 7.716 -8.762 -0.612 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.587 -5.993 0.601 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.386 -6.790 -0.740 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.033 -5.375 -1.859 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.028 -6.810 -1.801 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.339 -5.655 -0.697 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.438 -5.136 0.566 1.00 1.00 H new ATOM 0 HE ARG A 30 6.286 -3.064 -0.447 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.261 -5.656 -2.880 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.389 -4.573 -4.270 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.469 -1.668 -2.323 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.506 -2.343 -3.955 1.00 1.00 H new ATOM 409 N THR A 31 10.021 -9.072 0.690 1.00 1.00 N ATOM 410 CA THR A 31 11.110 -9.737 1.104 1.00 1.00 C ATOM 411 C THR A 31 12.297 -8.988 0.838 1.00 1.00 C ATOM 412 O THR A 31 12.367 -8.509 -0.137 1.00 1.00 O ATOM 413 CB THR A 31 11.139 -10.944 0.082 1.00 1.00 C ATOM 414 OG1 THR A 31 11.388 -10.546 -1.201 1.00 1.00 O ATOM 415 CG2 THR A 31 9.783 -11.644 0.131 1.00 1.00 C ATOM 0 H THR A 31 10.186 -8.620 -0.209 1.00 1.00 H new ATOM 0 HA THR A 31 11.075 -9.976 2.167 1.00 1.00 H new ATOM 0 HB THR A 31 11.950 -11.611 0.374 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.843 -11.267 -1.685 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.780 -12.481 -0.567 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.600 -12.013 1.140 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.999 -10.939 -0.145 1.00 1.00 H new ATOM 423 N CYS A 32 13.223 -8.815 1.683 1.00 1.00 N ATOM 424 CA CYS A 32 14.448 -7.898 1.219 1.00 1.00 C ATOM 425 C CYS A 32 15.371 -8.643 0.364 1.00 1.00 C ATOM 426 O CYS A 32 15.116 -9.757 -0.049 1.00 1.00 O ATOM 427 CB CYS A 32 15.174 -7.080 2.451 1.00 1.00 C ATOM 428 SG CYS A 32 16.469 -5.954 1.873 1.00 1.00 S ATOM 0 H CYS A 32 13.266 -9.200 2.626 1.00 1.00 H new ATOM 0 HA CYS A 32 14.032 -7.101 0.603 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.421 -6.512 2.998 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.606 -7.795 3.152 1.00 1.00 H new ATOM 433 N SER A 33 16.422 -8.043 0.143 1.00 1.00 N ATOM 434 CA SER A 33 17.512 -8.709 -0.706 1.00 1.00 C ATOM 435 C SER A 33 18.229 -9.683 0.125 1.00 1.00 C ATOM 436 O SER A 33 19.123 -10.410 -0.302 1.00 1.00 O ATOM 437 CB SER A 33 18.352 -7.775 -1.391 1.00 1.00 C ATOM 438 OG SER A 33 19.470 -8.459 -1.956 1.00 1.00 O ATOM 0 H SER A 33 16.645 -7.108 0.485 1.00 1.00 H new ATOM 0 HA SER A 33 17.044 -9.251 -1.528 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.788 -7.271 -2.175 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.695 -7.005 -0.700 1.00 1.00 H new ATOM 0 HG SER A 33 19.383 -9.421 -1.789 1.00 1.00 H new ATOM 444 N SER A 34 17.748 -9.735 1.225 1.00 1.00 N ATOM 445 CA SER A 34 18.057 -10.589 2.271 1.00 1.00 C ATOM 446 C SER A 34 16.643 -11.263 2.728 1.00 1.00 C ATOM 447 O SER A 34 16.575 -11.897 3.778 1.00 1.00 O ATOM 448 CB SER A 34 18.628 -9.787 3.372 1.00 1.00 C ATOM 449 OG SER A 34 19.048 -10.643 4.427 1.00 1.00 O ATOM 0 H SER A 34 17.005 -9.089 1.490 1.00 1.00 H new ATOM 0 HA SER A 34 18.780 -11.356 1.993 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.473 -9.203 3.008 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.886 -9.079 3.740 1.00 1.00 H new ATOM 0 HG SER A 34 18.434 -11.404 4.495 1.00 1.00 H new ATOM 455 N SER A 35 15.497 -11.098 1.840 1.00 1.00 N ATOM 456 CA SER A 35 14.260 -11.625 2.085 1.00 1.00 C ATOM 457 C SER A 35 13.660 -10.997 3.223 1.00 1.00 C ATOM 458 O SER A 35 12.496 -11.224 3.558 1.00 1.00 O ATOM 459 CB SER A 35 14.326 -13.061 2.286 1.00 1.00 C ATOM 460 OG SER A 35 15.112 -13.651 1.261 1.00 1.00 O ATOM 0 H SER A 35 15.546 -10.572 0.968 1.00 1.00 H new ATOM 0 HA SER A 35 13.642 -11.433 1.208 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.758 -13.282 3.262 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.322 -13.486 2.278 1.00 1.00 H new ATOM 0 HG SER A 35 15.157 -14.620 1.400 1.00 1.00 H new ATOM 466 N GLY A 36 14.463 -10.199 3.848 1.00 1.00 N ATOM 467 CA GLY A 36 14.057 -9.504 4.988 1.00 1.00 C ATOM 468 C GLY A 36 12.746 -8.919 4.716 1.00 1.00 C ATOM 469 O GLY A 36 11.743 -9.389 5.221 1.00 1.00 O ATOM 0 H GLY A 36 15.427 -10.021 3.565 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.005 -10.175 5.845 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.778 -8.725 5.237 1.00 1.00 H new ATOM 473 N PHE A 37 12.747 -7.921 3.897 1.00 1.00 N ATOM 474 CA PHE A 37 11.630 -7.287 3.533 1.00 1.00 C ATOM 475 C PHE A 37 12.053 -6.073 2.743 1.00 1.00 C ATOM 476 O PHE A 37 12.117 -4.997 3.306 1.00 1.00 O ATOM 477 CB PHE A 37 10.742 -6.855 4.842 1.00 1.00 C ATOM 478 CG PHE A 37 11.594 -6.125 5.917 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.244 -6.858 6.936 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.710 -4.705 5.898 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.998 -6.195 7.907 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.468 -4.056 6.877 1.00 1.00 C ATOM 483 CZ PHE A 37 13.113 -4.799 7.879 1.00 1.00 C ATOM 0 H PHE A 37 13.594 -7.545 3.470 1.00 1.00 H new ATOM 0 HA PHE A 37 10.997 -7.939 2.931 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.925 -6.206 4.526 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.290 -7.744 5.282 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.157 -7.934 6.964 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.214 -4.132 5.129 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.494 -6.760 8.682 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.558 -2.980 6.863 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.700 -4.292 8.631 1.00 1.00 H new ATOM 493 N CYS A 38 12.435 -6.220 1.302 1.00 1.00 N ATOM 494 CA CYS A 38 12.884 -5.062 0.431 1.00 1.00 C ATOM 495 C CYS A 38 13.027 -5.497 -0.955 1.00 1.00 C ATOM 496 O CYS A 38 13.739 -4.909 -1.773 1.00 1.00 O ATOM 497 CB CYS A 38 14.183 -4.369 0.954 1.00 1.00 C ATOM 498 SG CYS A 38 15.651 -5.146 0.281 1.00 1.00 S ATOM 0 H CYS A 38 12.417 -7.114 0.812 1.00 1.00 H new ATOM 0 HA CYS A 38 12.105 -4.302 0.481 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.170 -3.314 0.681 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.210 -4.417 2.043 1.00 1.00 H new ATOM 503 N GLN A 39 12.378 -6.547 -1.184 1.00 1.00 N ATOM 504 CA GLN A 39 12.353 -7.222 -2.408 1.00 1.00 C ATOM 505 C GLN A 39 11.171 -8.180 -2.407 1.00 1.00 C ATOM 506 O GLN A 39 10.737 -8.567 -1.426 1.00 1.00 O ATOM 507 CB GLN A 39 13.766 -7.921 -2.573 1.00 1.00 C ATOM 508 CG GLN A 39 13.752 -9.410 -2.367 1.00 1.00 C ATOM 509 CD GLN A 39 12.986 -10.106 -3.499 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.448 -11.195 -3.308 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.914 -9.535 -4.683 1.00 1.00 N ATOM 0 H GLN A 39 11.804 -6.998 -0.472 1.00 1.00 H new ATOM 0 HA GLN A 39 12.206 -6.568 -3.267 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.148 -7.709 -3.571 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.463 -7.475 -1.863 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.774 -9.786 -2.328 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.288 -9.645 -1.409 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.360 -8.632 -4.842 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.412 -9.996 -5.442 1.00 1.00 H new ATOM 520 N GLY A 40 10.619 -8.483 -3.572 1.00 1.00 N ATOM 521 CA GLY A 40 9.433 -9.406 -3.623 1.00 1.00 C ATOM 522 C GLY A 40 8.057 -8.762 -4.016 1.00 1.00 C ATOM 523 O GLY A 40 7.846 -8.353 -5.162 1.00 1.00 O ATOM 0 H GLY A 40 10.937 -8.134 -4.476 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.652 -10.203 -4.334 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.323 -9.874 -2.645 1.00 1.00 H new ATOM 527 N THR A 41 7.089 -8.788 -3.034 1.00 1.00 N ATOM 528 CA THR A 41 5.668 -8.300 -3.297 1.00 1.00 C ATOM 529 C THR A 41 4.936 -7.704 -1.992 1.00 1.00 C ATOM 530 O THR A 41 5.136 -8.185 -0.949 1.00 1.00 O ATOM 531 CB THR A 41 4.858 -9.567 -3.787 1.00 1.00 C ATOM 532 OG1 THR A 41 4.105 -9.226 -4.939 1.00 1.00 O ATOM 533 CG2 THR A 41 3.900 -10.102 -2.685 1.00 1.00 C ATOM 0 H THR A 41 7.249 -9.127 -2.085 1.00 1.00 H new ATOM 0 HA THR A 41 5.706 -7.489 -4.024 1.00 1.00 H new ATOM 0 HB THR A 41 5.575 -10.355 -4.020 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.603 -10.010 -5.246 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.362 -10.972 -3.061 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.479 -10.385 -1.806 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.186 -9.324 -2.414 1.00 1.00 H new ATOM 541 N SER A 42 4.040 -6.729 -2.161 1.00 1.00 N ATOM 542 CA SER A 42 3.228 -6.191 -0.973 1.00 1.00 C ATOM 543 C SER A 42 1.899 -6.584 -1.132 1.00 1.00 C ATOM 544 O SER A 42 1.075 -5.804 -1.626 1.00 1.00 O ATOM 545 CB SER A 42 3.309 -4.547 -0.811 1.00 1.00 C ATOM 546 OG SER A 42 4.037 -4.015 -1.870 1.00 1.00 O ATOM 0 H SER A 42 3.834 -6.285 -3.056 1.00 1.00 H new ATOM 0 HA SER A 42 3.660 -6.608 -0.064 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.305 -4.122 -0.795 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.781 -4.286 0.137 1.00 1.00 H new ATOM 0 HG SER A 42 3.713 -3.112 -2.069 1.00 1.00 H new ATOM 552 N ARG A 43 1.565 -7.824 -0.705 1.00 1.00 N ATOM 553 CA ARG A 43 0.230 -8.323 -0.791 1.00 1.00 C ATOM 554 C ARG A 43 -0.523 -7.824 -1.909 1.00 1.00 C ATOM 555 O ARG A 43 -1.753 -7.750 -1.828 1.00 1.00 O ATOM 556 CB ARG A 43 -0.477 -8.145 0.554 1.00 1.00 C ATOM 557 CG ARG A 43 -0.284 -6.634 1.140 1.00 1.00 C ATOM 558 CD ARG A 43 -1.407 -5.781 0.509 1.00 1.00 C ATOM 559 NE ARG A 43 -1.337 -4.402 1.020 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.610 -3.461 0.396 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.006 -3.733 -0.726 1.00 1.00 N ATOM 562 NH2 ARG A 43 -0.514 -2.261 0.911 1.00 1.00 N ATOM 0 H ARG A 43 2.231 -8.481 -0.298 1.00 1.00 H new ATOM 0 HA ARG A 43 0.297 -9.390 -1.003 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.540 -8.358 0.438 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -0.084 -8.866 1.270 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.354 -6.626 2.228 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.698 -6.238 0.881 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.309 -5.781 -0.577 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.379 -6.215 0.741 1.00 1.00 H new ATOM 0 HE ARG A 43 -1.852 -4.156 1.866 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.084 -4.664 -1.135 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.545 -3.015 -1.196 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -0.991 -2.042 1.785 1.00 1.00 H new ATOM 0 HH22 ARG A 43 0.038 -1.546 0.438 1.00 1.00 H new ATOM 576 N LYS A 44 0.233 -7.501 -3.099 1.00 1.00 N ATOM 577 CA LYS A 44 -0.459 -7.045 -4.353 1.00 1.00 C ATOM 578 C LYS A 44 -1.755 -7.410 -4.246 1.00 1.00 C ATOM 579 O LYS A 44 -2.045 -8.513 -4.493 1.00 1.00 O ATOM 580 CB LYS A 44 0.164 -7.687 -5.596 1.00 1.00 C ATOM 581 CG LYS A 44 -0.494 -7.058 -6.840 1.00 1.00 C ATOM 582 CD LYS A 44 0.052 -7.745 -8.117 1.00 1.00 C ATOM 583 CE LYS A 44 -0.914 -7.526 -9.278 1.00 1.00 C ATOM 584 NZ LYS A 44 -0.414 -8.258 -10.482 1.00 1.00 N ATOM 0 H LYS A 44 1.249 -7.558 -3.168 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.359 -5.965 -4.464 1.00 1.00 H new ATOM 0 HB2 LYS A 44 1.241 -7.522 -5.610 1.00 1.00 H new ATOM 0 HB3 LYS A 44 0.007 -8.766 -5.587 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.577 -7.171 -6.788 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -0.286 -5.988 -6.873 1.00 1.00 H new ATOM 0 HD2 LYS A 44 1.033 -7.340 -8.367 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.184 -8.812 -7.938 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -1.909 -7.881 -9.010 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.003 -6.462 -9.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.070 -8.111 -11.275 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 0.527 -7.899 -10.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -0.351 -9.274 -10.269 1.00 1.00 H new ATOM 598 N PRO A 45 -2.668 -6.487 -3.748 1.00 1.00 N ATOM 599 CA PRO A 45 -4.090 -6.812 -3.528 1.00 1.00 C ATOM 600 C PRO A 45 -4.564 -7.516 -4.629 1.00 1.00 C ATOM 601 O PRO A 45 -5.431 -7.073 -5.386 1.00 1.00 O ATOM 602 CB PRO A 45 -4.709 -5.491 -3.359 1.00 1.00 C ATOM 603 CG PRO A 45 -3.647 -4.738 -2.675 1.00 1.00 C ATOM 604 CD PRO A 45 -2.408 -5.109 -3.379 1.00 1.00 C ATOM 0 HA PRO A 45 -4.299 -7.450 -2.669 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.977 -5.041 -4.315 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.621 -5.541 -2.764 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.826 -3.664 -2.729 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.595 -5.000 -1.618 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.231 -4.480 -4.251 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.532 -5.017 -2.737 1.00 1.00 H new ATOM 612 N ASP A 46 -3.936 -8.568 -4.808 1.00 1.00 N ATOM 613 CA ASP A 46 -4.149 -9.372 -5.896 1.00 1.00 C ATOM 614 C ASP A 46 -5.547 -9.992 -5.823 1.00 1.00 C ATOM 615 O ASP A 46 -5.982 -10.323 -4.756 1.00 1.00 O ATOM 616 CB ASP A 46 -3.037 -10.523 -5.974 1.00 1.00 C ATOM 617 CG ASP A 46 -3.320 -11.460 -7.139 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.394 -12.036 -7.165 1.00 1.00 O ATOM 619 OD2 ASP A 46 -2.455 -11.589 -7.992 1.00 1.00 O ATOM 0 H ASP A 46 -3.221 -8.914 -4.168 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.077 -8.763 -6.797 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.050 -10.076 -6.091 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -3.023 -11.087 -5.041 1.00 1.00 H new ATOM 624 N PRO A 47 -6.262 -10.164 -6.952 1.00 1.00 N ATOM 625 CA PRO A 47 -7.641 -10.796 -6.940 1.00 1.00 C ATOM 626 C PRO A 47 -7.705 -12.094 -6.050 1.00 1.00 C ATOM 627 O PRO A 47 -7.800 -13.210 -6.555 1.00 1.00 O ATOM 628 CB PRO A 47 -7.895 -11.119 -8.418 1.00 1.00 C ATOM 629 CG PRO A 47 -7.113 -10.082 -9.183 1.00 1.00 C ATOM 630 CD PRO A 47 -5.861 -9.766 -8.333 1.00 1.00 C ATOM 0 HA PRO A 47 -8.392 -10.136 -6.506 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.561 -12.127 -8.665 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.957 -11.068 -8.656 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.830 -10.456 -10.167 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.711 -9.185 -9.343 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.992 -10.328 -8.675 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.598 -8.710 -8.385 1.00 1.00 H new ATOM 638 N GLY A 48 -7.664 -11.882 -4.743 1.00 1.00 N ATOM 639 CA GLY A 48 -7.725 -12.956 -3.744 1.00 1.00 C ATOM 640 C GLY A 48 -8.145 -12.310 -2.460 1.00 1.00 C ATOM 641 O GLY A 48 -9.339 -12.227 -2.173 1.00 1.00 O ATOM 0 H GLY A 48 -7.587 -10.951 -4.334 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.436 -13.726 -4.043 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.756 -13.442 -3.636 1.00 1.00 H new ATOM 645 N PRO A 49 -7.192 -11.727 -1.691 1.00 1.00 N ATOM 646 CA PRO A 49 -7.545 -10.984 -0.507 1.00 1.00 C ATOM 647 C PRO A 49 -8.716 -10.066 -0.836 1.00 1.00 C ATOM 648 O PRO A 49 -9.852 -10.402 -0.522 1.00 1.00 O ATOM 649 CB PRO A 49 -6.233 -10.183 -0.124 1.00 1.00 C ATOM 650 CG PRO A 49 -5.175 -10.580 -1.122 1.00 1.00 C ATOM 651 CD PRO A 49 -5.736 -11.761 -1.917 1.00 1.00 C ATOM 0 HA PRO A 49 -7.865 -11.607 0.329 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.412 -9.108 -0.157 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.916 -10.422 0.891 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -4.936 -9.747 -1.784 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.251 -10.859 -0.615 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.501 -11.668 -2.977 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.307 -12.703 -1.576 1.00 1.00 H new ATOM 659 N LYS A 50 -8.420 -8.911 -1.491 1.00 1.00 N ATOM 660 CA LYS A 50 -9.452 -7.880 -1.911 1.00 1.00 C ATOM 661 C LYS A 50 -10.009 -7.094 -0.723 1.00 1.00 C ATOM 662 O LYS A 50 -11.191 -6.752 -0.706 1.00 1.00 O ATOM 663 CB LYS A 50 -10.686 -8.660 -2.659 1.00 1.00 C ATOM 664 CG LYS A 50 -10.585 -8.488 -4.300 1.00 1.00 C ATOM 665 CD LYS A 50 -11.323 -7.135 -4.780 1.00 1.00 C ATOM 666 CE LYS A 50 -10.700 -5.888 -4.082 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.249 -5.799 -4.421 1.00 1.00 N ATOM 0 H LYS A 50 -7.467 -8.654 -1.749 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.966 -7.166 -2.576 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.664 -9.718 -2.398 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.638 -8.265 -2.306 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.539 -8.465 -4.604 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.040 -9.349 -4.789 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.237 -7.033 -5.862 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.387 -7.194 -4.549 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.215 -4.983 -4.404 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.828 -5.961 -3.002 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.774 -5.162 -3.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.820 -6.745 -4.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.140 -5.428 -5.386 1.00 1.00 H new ATOM 681 N GLY A 51 -9.200 -6.870 0.322 1.00 1.00 N ATOM 682 CA GLY A 51 -9.634 -6.283 1.409 1.00 1.00 C ATOM 683 C GLY A 51 -8.867 -6.855 2.456 1.00 1.00 C ATOM 684 O GLY A 51 -8.136 -6.234 2.982 1.00 1.00 O ATOM 0 H GLY A 51 -8.215 -7.132 0.348 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.494 -5.203 1.359 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.699 -6.459 1.556 1.00 1.00 H new ATOM 688 N PRO A 52 -9.020 -8.150 2.733 1.00 1.00 N ATOM 689 CA PRO A 52 -8.184 -8.897 3.778 1.00 1.00 C ATOM 690 C PRO A 52 -6.682 -8.390 3.860 1.00 1.00 C ATOM 691 O PRO A 52 -5.813 -9.088 4.304 1.00 1.00 O ATOM 692 CB PRO A 52 -8.231 -10.320 3.268 1.00 1.00 C ATOM 693 CG PRO A 52 -9.594 -10.454 2.606 1.00 1.00 C ATOM 694 CD PRO A 52 -10.007 -9.024 2.132 1.00 1.00 C ATOM 0 HA PRO A 52 -8.570 -8.757 4.788 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.426 -10.512 2.558 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -8.115 -11.035 4.082 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.548 -11.143 1.762 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.326 -10.856 3.306 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.998 -8.947 1.045 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -11.015 -8.771 2.461 1.00 1.00 H new ATOM 702 N THR A 53 -6.485 -7.180 3.452 1.00 1.00 N ATOM 703 CA THR A 53 -5.238 -6.491 3.478 1.00 1.00 C ATOM 704 C THR A 53 -5.650 -5.028 3.651 1.00 1.00 C ATOM 705 O THR A 53 -6.792 -4.751 3.496 1.00 1.00 O ATOM 706 CB THR A 53 -4.426 -6.687 2.241 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.372 -5.539 1.567 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.031 -7.734 1.362 1.00 1.00 C ATOM 0 H THR A 53 -7.239 -6.611 3.067 1.00 1.00 H new ATOM 0 HA THR A 53 -4.589 -6.860 4.272 1.00 1.00 H new ATOM 0 HB THR A 53 -3.426 -7.009 2.533 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.596 -5.020 1.866 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.419 -7.856 0.468 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.078 -8.680 1.902 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.037 -7.430 1.074 1.00 1.00 H new ATOM 716 N TYR A 54 -4.842 -4.159 3.935 1.00 1.00 N ATOM 717 CA TYR A 54 -5.367 -2.707 4.174 1.00 1.00 C ATOM 718 C TYR A 54 -4.372 -1.851 4.981 1.00 1.00 C ATOM 719 O TYR A 54 -3.835 -2.319 5.976 1.00 1.00 O ATOM 720 CB TYR A 54 -6.701 -2.812 5.042 1.00 1.00 C ATOM 721 CG TYR A 54 -6.765 -1.740 6.207 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.023 -1.938 7.400 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.548 -0.590 6.068 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.076 -0.990 8.424 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.594 0.357 7.105 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.858 0.154 8.278 1.00 1.00 C ATOM 727 OH TYR A 54 -6.905 1.091 9.292 1.00 1.00 O ATOM 0 H TYR A 54 -3.836 -4.292 4.033 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.522 -2.240 3.201 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.564 -2.683 4.389 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.772 -3.812 5.471 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.416 -2.824 7.516 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.117 -0.430 5.164 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.510 -1.144 9.331 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.199 1.245 6.997 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.495 1.828 9.029 1.00 1.00 H new ATOM 737 N CYS A 55 -4.121 -0.463 4.532 1.00 1.00 N ATOM 738 CA CYS A 55 -3.166 0.405 5.361 1.00 1.00 C ATOM 739 C CYS A 55 -3.596 1.862 5.748 1.00 1.00 C ATOM 740 O CYS A 55 -3.143 2.405 6.752 1.00 1.00 O ATOM 741 CB CYS A 55 -1.849 0.488 4.696 1.00 1.00 C ATOM 742 SG CYS A 55 -0.574 0.726 6.023 1.00 1.00 S ATOM 0 H CYS A 55 -4.529 -0.020 3.709 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.159 -0.131 6.310 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.647 -0.420 4.128 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.827 1.317 3.989 1.00 1.00 H new ATOM 747 N TRP A 56 -4.410 2.455 4.926 1.00 1.00 N ATOM 748 CA TRP A 56 -4.861 3.772 5.088 1.00 1.00 C ATOM 749 C TRP A 56 -6.382 3.836 5.417 1.00 1.00 C ATOM 750 O TRP A 56 -6.839 3.215 6.383 1.00 1.00 O ATOM 751 CB TRP A 56 -4.648 4.447 3.756 1.00 1.00 C ATOM 752 CG TRP A 56 -4.859 5.919 3.879 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.239 6.633 2.899 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.693 6.865 5.061 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.311 7.907 3.265 1.00 1.00 N ATOM 756 CE2 TRP A 56 -4.992 8.106 4.611 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.303 6.740 6.467 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.939 9.244 5.442 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.254 7.869 7.286 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.571 9.115 6.775 1.00 1.00 C ATOM 0 H TRP A 56 -4.784 1.999 4.094 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.324 4.244 5.911 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.639 4.247 3.397 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.336 4.035 3.018 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.470 6.258 1.913 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.572 8.662 2.630 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.052 5.771 6.872 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.185 10.216 5.042 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.968 7.770 8.323 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.532 9.986 7.412 1.00 1.00 H new ATOM 771 N ASP A 57 -7.221 4.530 4.426 1.00 1.00 N ATOM 772 CA ASP A 57 -8.617 4.575 4.470 1.00 1.00 C ATOM 773 C ASP A 57 -9.155 5.820 3.701 1.00 1.00 C ATOM 774 O ASP A 57 -10.330 6.132 3.843 1.00 1.00 O ATOM 775 CB ASP A 57 -9.121 4.613 5.896 1.00 1.00 C ATOM 776 CG ASP A 57 -9.713 3.252 6.349 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.697 2.317 5.563 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.175 3.183 7.479 1.00 1.00 O ATOM 0 H ASP A 57 -6.829 5.032 3.629 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.985 3.668 3.991 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.303 4.890 6.561 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.883 5.387 5.989 1.00 1.00 H new ATOM 783 N GLU A 58 -8.280 6.574 2.945 1.00 1.00 N ATOM 784 CA GLU A 58 -8.739 7.748 2.347 1.00 1.00 C ATOM 785 C GLU A 58 -7.670 8.469 1.687 1.00 1.00 C ATOM 786 O GLU A 58 -7.141 9.353 2.290 1.00 1.00 O ATOM 787 CB GLU A 58 -9.226 8.656 3.544 1.00 1.00 C ATOM 788 CG GLU A 58 -8.085 8.668 4.616 1.00 1.00 C ATOM 789 CD GLU A 58 -8.569 9.324 5.906 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.374 8.716 6.590 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.121 10.425 6.194 1.00 1.00 O ATOM 0 H GLU A 58 -7.300 6.347 2.777 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.506 7.514 1.608 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.438 9.667 3.197 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.150 8.266 3.971 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.759 7.648 4.820 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.220 9.207 4.229 1.00 1.00 H new ATOM 798 N ALA A 59 -7.246 8.205 0.448 1.00 1.00 N ATOM 799 CA ALA A 59 -6.152 9.095 -0.076 1.00 1.00 C ATOM 800 C ALA A 59 -6.221 9.326 -1.617 1.00 1.00 C ATOM 801 O ALA A 59 -5.297 9.672 -2.137 1.00 1.00 O ATOM 802 CB ALA A 59 -4.949 8.446 0.186 1.00 1.00 C ATOM 0 H ALA A 59 -7.585 7.469 -0.172 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.251 10.067 0.406 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.121 9.054 -0.177 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.844 8.294 1.260 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.939 7.480 -0.320 1.00 1.00 H new ATOM 808 N LYS A 60 -7.349 9.054 -2.322 1.00 1.00 N ATOM 809 CA LYS A 60 -7.335 9.226 -3.863 1.00 1.00 C ATOM 810 C LYS A 60 -8.105 10.395 -4.318 1.00 1.00 C ATOM 811 O LYS A 60 -7.973 10.776 -5.485 1.00 1.00 O ATOM 812 CB LYS A 60 -7.814 7.973 -4.561 1.00 1.00 C ATOM 813 CG LYS A 60 -8.751 7.287 -3.573 1.00 1.00 C ATOM 814 CD LYS A 60 -9.674 6.205 -4.269 1.00 1.00 C ATOM 815 CE LYS A 60 -11.184 6.514 -3.969 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.431 6.369 -2.509 1.00 1.00 N ATOM 0 H LYS A 60 -8.232 8.737 -1.921 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.295 9.404 -4.136 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.332 8.215 -5.489 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -6.977 7.325 -4.822 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.162 6.809 -2.790 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.376 8.037 -3.089 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.501 6.206 -5.345 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.419 5.210 -3.906 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.433 7.524 -4.294 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.825 5.833 -4.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.454 6.302 -2.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.964 5.507 -2.162 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.048 7.196 -2.008 1.00 1.00 H new ATOM 830 N ASN A 61 -8.917 11.005 -3.464 1.00 1.00 N ATOM 831 CA ASN A 61 -9.660 12.174 -3.952 1.00 1.00 C ATOM 832 C ASN A 61 -8.687 13.046 -4.601 1.00 1.00 C ATOM 833 O ASN A 61 -7.526 12.889 -4.388 1.00 1.00 O ATOM 834 CB ASN A 61 -10.435 12.944 -2.849 1.00 1.00 C ATOM 835 CG ASN A 61 -11.893 13.222 -3.264 1.00 1.00 C ATOM 836 OD1 ASN A 61 -12.364 14.352 -3.157 1.00 1.00 O ATOM 837 ND2 ASN A 61 -12.628 12.249 -3.733 1.00 1.00 N ATOM 0 H ASN A 61 -9.077 10.739 -2.492 1.00 1.00 H new ATOM 0 HA ASN A 61 -10.434 11.832 -4.639 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -10.424 12.365 -1.925 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -9.930 13.887 -2.641 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -13.593 12.427 -4.011 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -12.237 11.311 -3.822 1.00 1.00 H new ATOM 844 N PRO A 62 -9.071 13.863 -5.426 1.00 1.00 N ATOM 845 CA PRO A 62 -8.137 14.655 -6.160 1.00 1.00 C ATOM 846 C PRO A 62 -7.454 15.723 -5.424 1.00 1.00 C ATOM 847 O PRO A 62 -6.498 16.284 -5.969 1.00 1.00 O ATOM 848 CB PRO A 62 -8.965 15.200 -7.323 1.00 1.00 C ATOM 849 CG PRO A 62 -10.265 14.464 -7.240 1.00 1.00 C ATOM 850 CD PRO A 62 -10.432 14.189 -5.812 1.00 1.00 C ATOM 0 HA PRO A 62 -7.288 14.038 -6.457 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -9.113 16.276 -7.234 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -8.470 15.024 -8.278 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.088 15.064 -7.629 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -10.239 13.543 -7.822 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -10.818 15.052 -5.269 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -11.120 13.364 -5.630 1.00 1.00 H new ATOM 858 N GLY A 63 -7.863 16.119 -4.220 1.00 1.00 N ATOM 859 CA GLY A 63 -7.168 17.201 -3.598 1.00 1.00 C ATOM 860 C GLY A 63 -7.632 17.347 -2.201 1.00 1.00 C ATOM 861 O GLY A 63 -7.998 18.442 -1.780 1.00 1.00 O ATOM 0 H GLY A 63 -8.637 15.718 -3.690 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -6.094 17.017 -3.618 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -7.344 18.125 -4.149 1.00 1.00 H new ATOM 865 N GLY A 64 -7.645 16.215 -1.425 1.00 1.00 N ATOM 866 CA GLY A 64 -8.095 16.279 -0.066 1.00 1.00 C ATOM 867 C GLY A 64 -7.524 15.170 0.792 1.00 1.00 C ATOM 868 O GLY A 64 -6.653 15.434 1.618 1.00 1.00 O ATOM 0 H GLY A 64 -7.351 15.291 -1.741 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -7.815 17.243 0.360 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -9.183 16.225 -0.045 1.00 1.00 H new ATOM 872 N PRO A 65 -7.970 13.930 0.655 1.00 1.00 N ATOM 873 CA PRO A 65 -7.461 12.880 1.450 1.00 1.00 C ATOM 874 C PRO A 65 -5.980 12.759 1.294 1.00 1.00 C ATOM 875 O PRO A 65 -5.378 13.550 0.632 1.00 1.00 O ATOM 876 CB PRO A 65 -8.235 11.629 0.960 1.00 1.00 C ATOM 877 CG PRO A 65 -9.435 12.196 0.489 1.00 1.00 C ATOM 878 CD PRO A 65 -8.949 13.438 -0.230 1.00 1.00 C ATOM 0 HA PRO A 65 -7.604 13.037 2.519 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.698 11.098 0.174 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.409 10.915 1.765 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.967 11.521 -0.181 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.117 12.439 1.304 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.532 13.204 -1.210 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.753 14.157 -0.389 1.00 1.00 H new ATOM 886 N ASN A 66 -5.397 11.879 2.002 1.00 1.00 N ATOM 887 CA ASN A 66 -3.887 11.784 1.995 1.00 1.00 C ATOM 888 C ASN A 66 -3.317 11.967 0.539 1.00 1.00 C ATOM 889 O ASN A 66 -2.144 12.278 0.327 1.00 1.00 O ATOM 890 CB ASN A 66 -3.386 10.408 2.588 1.00 1.00 C ATOM 891 CG ASN A 66 -2.342 10.635 3.700 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.340 9.926 4.705 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.459 11.584 3.567 1.00 1.00 N ATOM 0 H ASN A 66 -5.873 11.203 2.599 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.516 12.589 2.629 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.233 9.850 2.987 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.951 9.802 1.793 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -0.764 11.740 4.297 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.463 12.171 2.733 1.00 1.00 H new ATOM 900 N ARG A 67 -4.226 11.771 -0.407 1.00 1.00 N ATOM 901 CA ARG A 67 -3.975 11.899 -1.853 1.00 1.00 C ATOM 902 C ARG A 67 -2.969 10.900 -2.403 1.00 1.00 C ATOM 903 O ARG A 67 -1.775 10.951 -2.120 1.00 1.00 O ATOM 904 CB ARG A 67 -3.480 13.307 -2.201 1.00 1.00 C ATOM 905 CG ARG A 67 -4.632 14.264 -2.197 1.00 1.00 C ATOM 906 CD ARG A 67 -5.262 14.297 -3.570 1.00 1.00 C ATOM 907 NE ARG A 67 -4.367 14.929 -4.630 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.770 16.170 -4.510 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.931 16.912 -3.458 1.00 1.00 N ATOM 910 NH2 ARG A 67 -3.043 16.617 -5.491 1.00 1.00 N ATOM 0 H ARG A 67 -5.189 11.511 -0.193 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.939 11.692 -2.318 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.727 13.626 -1.480 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -3.002 13.303 -3.181 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.369 13.960 -1.454 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -4.290 15.261 -1.918 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.509 13.280 -3.873 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -6.199 14.851 -3.519 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.197 14.400 -5.486 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.513 16.584 -2.687 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.476 17.823 -3.402 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.920 16.054 -6.333 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.595 17.531 -5.419 1.00 1.00 H new ATOM 924 N CYS A 68 -3.466 10.119 -3.261 1.00 1.00 N ATOM 925 CA CYS A 68 -2.769 9.195 -4.019 1.00 1.00 C ATOM 926 C CYS A 68 -3.297 9.472 -5.290 1.00 1.00 C ATOM 927 O CYS A 68 -2.653 10.125 -6.112 1.00 1.00 O ATOM 928 CB CYS A 68 -2.981 7.630 -3.580 1.00 1.00 C ATOM 929 SG CYS A 68 -4.469 7.274 -2.601 1.00 1.00 S ATOM 0 H CYS A 68 -4.465 10.114 -3.466 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.687 9.291 -3.923 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -3.010 7.020 -4.483 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.109 7.312 -3.008 1.00 1.00 H new ATOM 934 N SER A 69 -4.465 9.046 -5.494 1.00 1.00 N ATOM 935 CA SER A 69 -5.153 9.295 -6.707 1.00 1.00 C ATOM 936 C SER A 69 -4.753 8.374 -7.755 1.00 1.00 C ATOM 937 O SER A 69 -5.574 7.901 -8.538 1.00 1.00 O ATOM 938 CB SER A 69 -4.881 10.764 -7.207 1.00 1.00 C ATOM 939 OG SER A 69 -3.756 10.766 -8.089 1.00 1.00 O ATOM 0 H SER A 69 -4.996 8.500 -4.816 1.00 1.00 H new ATOM 0 HA SER A 69 -6.214 9.156 -6.499 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.760 11.153 -7.721 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.692 11.420 -6.357 1.00 1.00 H new ATOM 0 HG SER A 69 -2.937 10.607 -7.575 1.00 1.00 H new ATOM 945 N ASN A 70 -3.452 8.218 -7.885 1.00 1.00 N ATOM 946 CA ASN A 70 -2.871 7.436 -9.017 1.00 1.00 C ATOM 947 C ASN A 70 -2.224 6.290 -8.578 1.00 1.00 C ATOM 948 O ASN A 70 -2.305 5.243 -9.198 1.00 1.00 O ATOM 949 CB ASN A 70 -1.828 8.322 -9.735 1.00 1.00 C ATOM 950 CG ASN A 70 -2.502 9.559 -10.320 1.00 1.00 C ATOM 951 OD1 ASN A 70 -2.121 10.683 -9.997 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.483 9.418 -11.171 1.00 1.00 N ATOM 0 H ASN A 70 -2.763 8.608 -7.242 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.686 7.142 -9.678 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -1.049 8.621 -9.034 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.342 7.754 -10.528 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -3.935 10.241 -11.569 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.797 8.485 -11.437 1.00 1.00 H new ATOM 959 N SER A 71 -1.535 6.446 -7.524 1.00 1.00 N ATOM 960 CA SER A 71 -0.811 5.409 -6.944 1.00 1.00 C ATOM 961 C SER A 71 0.282 5.973 -6.115 1.00 1.00 C ATOM 962 O SER A 71 1.273 6.362 -6.655 1.00 1.00 O ATOM 963 CB SER A 71 -0.186 4.497 -7.960 1.00 1.00 C ATOM 964 OG SER A 71 1.059 3.989 -7.438 1.00 1.00 O ATOM 0 H SER A 71 -1.460 7.333 -7.027 1.00 1.00 H new ATOM 0 HA SER A 71 -1.517 4.831 -6.348 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.861 3.673 -8.191 1.00 1.00 H new ATOM 0 HB3 SER A 71 -0.011 5.036 -8.891 1.00 1.00 H new ATOM 0 HG SER A 71 0.911 3.105 -7.042 1.00 1.00 H new ATOM 970 N LYS A 72 0.100 5.939 -4.747 1.00 1.00 N ATOM 971 CA LYS A 72 1.159 6.419 -3.789 1.00 1.00 C ATOM 972 C LYS A 72 0.717 6.878 -2.506 1.00 1.00 C ATOM 973 O LYS A 72 1.254 7.831 -1.999 1.00 1.00 O ATOM 974 CB LYS A 72 1.863 7.676 -4.465 1.00 1.00 C ATOM 975 CG LYS A 72 0.869 8.761 -4.721 1.00 1.00 C ATOM 976 CD LYS A 72 1.556 9.898 -5.504 1.00 1.00 C ATOM 977 CE LYS A 72 0.522 10.935 -5.941 1.00 1.00 C ATOM 978 NZ LYS A 72 1.225 12.215 -6.294 1.00 1.00 N ATOM 0 H LYS A 72 -0.747 5.594 -4.296 1.00 1.00 H new ATOM 0 HA LYS A 72 1.786 5.546 -3.607 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.656 8.048 -3.816 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.332 7.376 -5.402 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.024 8.371 -5.288 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.473 9.139 -3.778 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.316 10.371 -4.882 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.066 9.492 -6.377 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -0.040 10.566 -6.799 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.197 11.110 -5.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.525 12.924 -6.592 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.743 12.567 -5.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.894 12.041 -7.071 1.00 1.00 H new ATOM 992 N GLN A 73 -0.242 6.332 -2.020 1.00 1.00 N ATOM 993 CA GLN A 73 -0.806 6.793 -0.826 1.00 1.00 C ATOM 994 C GLN A 73 -2.183 6.282 -0.713 1.00 1.00 C ATOM 995 O GLN A 73 -2.971 6.977 -0.408 1.00 1.00 O ATOM 996 CB GLN A 73 -0.955 8.490 -0.884 1.00 1.00 C ATOM 997 CG GLN A 73 0.062 9.175 0.051 1.00 1.00 C ATOM 998 CD GLN A 73 -0.420 9.178 1.476 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.200 8.309 1.873 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.022 10.088 2.289 1.00 1.00 N ATOM 0 H GLN A 73 -0.705 5.518 -2.424 1.00 1.00 H new ATOM 0 HA GLN A 73 -0.175 6.468 0.001 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.802 8.836 -1.906 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.967 8.778 -0.598 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.020 8.659 -0.010 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.231 10.200 -0.280 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.667 10.803 1.952 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.275 10.088 3.265 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.437 5.069 -0.861 1.00 1.00 N ATOM 1010 CA CYS A 74 -4.028 4.594 -0.593 1.00 1.00 C ATOM 1011 C CYS A 74 -3.993 3.700 0.509 1.00 1.00 C ATOM 1012 O CYS A 74 -3.208 3.961 1.369 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.629 4.025 -1.891 1.00 1.00 C ATOM 1014 SG CYS A 74 -5.117 5.395 -3.190 1.00 1.00 S ATOM 0 H CYS A 74 -1.777 4.338 -1.128 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.694 5.417 -0.333 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.910 3.344 -2.346 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.514 3.437 -1.645 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.852 2.553 0.613 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.733 1.685 1.930 1.00 1.00 C ATOM 1021 C ASP A 75 -3.947 0.398 1.736 1.00 1.00 C ATOM 1022 O ASP A 75 -2.713 0.458 1.676 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.189 1.590 2.506 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.308 0.818 3.763 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.244 -0.285 3.700 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.511 1.406 4.769 1.00 1.00 O ATOM 0 H ASP A 75 -5.533 2.242 -0.080 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.107 2.146 2.694 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.563 2.599 2.679 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.834 1.135 1.754 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.568 -0.731 1.699 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.764 -2.006 1.583 1.00 1.00 C ATOM 1033 C GLY A 76 -4.347 -3.122 0.754 1.00 1.00 C ATOM 1034 O GLY A 76 -3.619 -4.019 0.419 1.00 1.00 O ATOM 0 H GLY A 76 -5.580 -0.849 1.742 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.789 -1.752 1.168 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.592 -2.388 2.589 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.589 -3.051 0.335 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.149 -4.111 -0.533 1.00 1.00 C ATOM 1040 C ALA A 77 -6.604 -3.514 -1.834 1.00 1.00 C ATOM 1041 O ALA A 77 -7.614 -3.930 -2.402 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.340 -4.733 0.119 1.00 1.00 C ATOM 0 H ALA A 77 -6.235 -2.295 0.564 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.374 -4.859 -0.701 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -7.744 -5.511 -0.528 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.045 -5.171 1.073 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.101 -3.971 0.289 1.00 1.00 H new ATOM 1048 N ARG A 78 -5.932 -2.499 -2.245 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.274 -1.753 -3.392 1.00 1.00 C ATOM 1050 C ARG A 78 -5.155 -1.741 -4.442 1.00 1.00 C ATOM 1051 O ARG A 78 -4.031 -2.036 -4.154 1.00 1.00 O ATOM 1052 CB ARG A 78 -6.498 -0.395 -2.945 1.00 1.00 C ATOM 1053 CG ARG A 78 -7.593 -0.411 -1.841 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.085 0.951 -1.643 1.00 1.00 C ATOM 1055 NE ARG A 78 -8.787 1.419 -2.855 1.00 1.00 N ATOM 1056 CZ ARG A 78 -9.924 2.147 -2.789 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -10.448 2.459 -1.630 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.507 2.542 -3.891 1.00 1.00 N ATOM 0 H ARG A 78 -5.097 -2.156 -1.770 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.150 -2.200 -3.862 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -5.574 0.032 -2.555 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -6.812 0.231 -3.780 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.412 -1.069 -2.132 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.184 -0.803 -0.910 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.760 0.981 -0.788 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.253 1.617 -1.416 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.402 1.186 -3.770 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -9.998 2.152 -0.768 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -11.306 3.009 -1.590 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.104 2.301 -4.796 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.365 3.091 -3.845 1.00 1.00 H new ATOM 1072 N THR A 79 -5.501 -1.344 -5.643 1.00 1.00 N ATOM 1073 CA THR A 79 -4.547 -1.243 -6.730 1.00 1.00 C ATOM 1074 C THR A 79 -4.821 -0.013 -7.485 1.00 1.00 C ATOM 1075 O THR A 79 -5.618 -0.054 -8.263 1.00 1.00 O ATOM 1076 CB THR A 79 -4.712 -2.365 -7.587 1.00 1.00 C ATOM 1077 OG1 THR A 79 -4.289 -3.548 -6.914 1.00 1.00 O ATOM 1078 CG2 THR A 79 -3.875 -2.135 -8.804 1.00 1.00 C ATOM 0 H THR A 79 -6.453 -1.081 -5.898 1.00 1.00 H new ATOM 0 HA THR A 79 -3.529 -1.220 -6.341 1.00 1.00 H new ATOM 0 HB THR A 79 -5.758 -2.487 -7.868 1.00 1.00 H new ATOM 0 HG1 THR A 79 -4.405 -4.320 -7.506 1.00 1.00 H new ATOM 0 HG21 THR A 79 -3.980 -2.981 -9.483 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.204 -1.224 -9.305 1.00 1.00 H new ATOM 0 HG23 THR A 79 -2.830 -2.032 -8.513 1.00 1.00 H new ATOM 1086 N CYS A 80 -4.191 1.198 -7.161 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.658 2.380 -7.880 1.00 1.00 C ATOM 1088 C CYS A 80 -4.733 2.187 -9.312 1.00 1.00 C ATOM 1089 O CYS A 80 -4.009 2.803 -10.096 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.970 3.850 -7.599 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.508 4.753 -6.088 1.00 1.00 S ATOM 0 H CYS A 80 -3.445 1.335 -6.479 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.640 2.452 -7.412 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.890 3.713 -7.545 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -4.168 4.486 -8.462 1.00 1.00 H new ATOM 1096 N SER A 81 -5.694 1.303 -9.678 1.00 1.00 N ATOM 1097 CA SER A 81 -6.005 0.965 -10.983 1.00 1.00 C ATOM 1098 C SER A 81 -4.987 0.133 -11.538 1.00 1.00 C ATOM 1099 O SER A 81 -5.283 -0.880 -12.155 1.00 1.00 O ATOM 1100 CB SER A 81 -6.349 2.176 -11.762 1.00 1.00 C ATOM 1101 OG SER A 81 -5.751 2.126 -13.059 1.00 1.00 O ATOM 0 H SER A 81 -6.270 0.812 -8.994 1.00 1.00 H new ATOM 0 HA SER A 81 -6.906 0.353 -11.019 1.00 1.00 H new ATOM 0 HB2 SER A 81 -7.432 2.258 -11.858 1.00 1.00 H new ATOM 0 HB3 SER A 81 -6.007 3.065 -11.232 1.00 1.00 H new ATOM 0 HG SER A 81 -5.990 2.933 -13.561 1.00 1.00 H new ATOM 1107 N SER A 82 -3.820 0.425 -11.177 1.00 1.00 N ATOM 1108 CA SER A 82 -2.711 -0.417 -11.461 1.00 1.00 C ATOM 1109 C SER A 82 -1.419 0.173 -11.059 1.00 1.00 C ATOM 1110 O SER A 82 -0.463 0.313 -11.826 1.00 1.00 O ATOM 1111 CB SER A 82 -2.723 -1.050 -12.743 1.00 1.00 C ATOM 1112 OG SER A 82 -1.411 -1.515 -13.064 1.00 1.00 O ATOM 0 H SER A 82 -3.581 1.272 -10.662 1.00 1.00 H new ATOM 0 HA SER A 82 -2.846 -1.273 -10.800 1.00 1.00 H new ATOM 0 HB2 SER A 82 -3.424 -1.884 -12.740 1.00 1.00 H new ATOM 0 HB3 SER A 82 -3.066 -0.348 -13.503 1.00 1.00 H new ATOM 0 HG SER A 82 -0.799 -0.752 -13.124 1.00 1.00 H new ATOM 1118 N SER A 83 -1.375 0.305 -9.692 1.00 1.00 N ATOM 1119 CA SER A 83 -0.183 0.641 -8.997 1.00 1.00 C ATOM 1120 C SER A 83 -0.348 0.616 -7.367 1.00 1.00 C ATOM 1121 O SER A 83 0.348 1.324 -6.640 1.00 1.00 O ATOM 1122 CB SER A 83 0.488 1.860 -9.556 1.00 1.00 C ATOM 1123 OG SER A 83 1.381 1.464 -10.592 1.00 1.00 O ATOM 0 H SER A 83 -2.185 0.173 -9.087 1.00 1.00 H new ATOM 0 HA SER A 83 0.525 -0.165 -9.188 1.00 1.00 H new ATOM 0 HB2 SER A 83 -0.257 2.554 -9.946 1.00 1.00 H new ATOM 0 HB3 SER A 83 1.032 2.384 -8.770 1.00 1.00 H new ATOM 0 HG SER A 83 0.950 0.787 -11.155 1.00 1.00 H new ATOM 1129 N GLY A 84 -1.225 -0.405 -6.879 1.00 1.00 N ATOM 1130 CA GLY A 84 -1.383 -0.703 -5.481 1.00 1.00 C ATOM 1131 C GLY A 84 -1.732 0.392 -4.725 1.00 1.00 C ATOM 1132 O GLY A 84 -1.037 0.689 -3.768 1.00 1.00 O ATOM 0 H GLY A 84 -1.796 -0.989 -7.490 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -2.146 -1.473 -5.365 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.451 -1.118 -5.098 1.00 1.00 H new ATOM 1136 N PHE A 85 -2.956 1.020 -4.978 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.357 1.990 -4.142 1.00 1.00 C ATOM 1138 C PHE A 85 -4.899 2.114 -4.285 1.00 1.00 C ATOM 1139 O PHE A 85 -5.570 1.931 -3.369 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.498 3.267 -4.369 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.108 3.133 -3.641 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.029 2.834 -2.254 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.078 3.291 -4.370 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.222 2.707 -1.633 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.321 3.159 -3.736 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.390 2.869 -2.372 1.00 1.00 C ATOM 0 H PHE A 85 -3.585 0.807 -5.752 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.184 1.772 -3.088 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.343 3.423 -5.437 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -3.029 4.141 -3.993 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.933 2.704 -1.678 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.034 3.516 -5.425 1.00 1.00 H new ATOM 0 HE1 PHE A 85 0.279 2.483 -0.578 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.230 3.282 -4.306 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.351 2.770 -1.890 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.386 2.556 -5.389 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.960 2.780 -5.532 1.00 1.00 C ATOM 1158 C CYS A 86 -7.674 2.236 -6.693 1.00 1.00 C ATOM 1159 O CYS A 86 -7.636 2.755 -7.812 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.379 4.239 -5.383 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.381 5.292 -6.463 1.00 1.00 S ATOM 0 H CYS A 86 -4.837 2.787 -6.217 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.273 2.160 -4.692 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.435 4.348 -5.631 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -7.261 4.554 -4.346 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.402 1.167 -6.363 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.168 0.494 -7.208 1.00 1.00 C ATOM 1168 C GLN A 87 -9.877 -0.584 -6.400 1.00 1.00 C ATOM 1169 O GLN A 87 -11.104 -0.633 -6.333 1.00 1.00 O ATOM 1170 CB GLN A 87 -8.287 -0.045 -8.261 1.00 1.00 C ATOM 1171 CG GLN A 87 -8.954 -1.148 -9.046 1.00 1.00 C ATOM 1172 CD GLN A 87 -8.984 -2.473 -8.250 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -7.980 -2.872 -7.670 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.089 -3.166 -8.196 1.00 1.00 N ATOM 0 H GLN A 87 -8.419 0.786 -5.417 1.00 1.00 H new ATOM 0 HA GLN A 87 -9.930 1.101 -7.696 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -7.998 0.759 -8.938 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -7.371 -0.425 -7.808 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -9.972 -0.851 -9.299 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -8.423 -1.299 -9.986 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -10.924 -2.833 -8.679 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.118 -4.040 -7.671 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.083 -1.456 -5.814 1.00 1.00 N ATOM 1184 CA GLY A 88 -9.608 -2.585 -5.013 1.00 1.00 C ATOM 1185 C GLY A 88 -10.584 -2.178 -3.890 1.00 1.00 C ATOM 1186 O GLY A 88 -11.668 -1.653 -4.150 1.00 1.00 O ATOM 0 H GLY A 88 -8.065 -1.419 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.114 -3.282 -5.681 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -8.768 -3.120 -4.570 1.00 1.00 H new ATOM 1190 N THR A 89 -10.218 -2.557 -2.631 1.00 1.00 N ATOM 1191 CA THR A 89 -11.113 -2.363 -1.465 1.00 1.00 C ATOM 1192 C THR A 89 -10.471 -1.823 -0.166 1.00 1.00 C ATOM 1193 O THR A 89 -10.822 -0.754 0.331 1.00 1.00 O ATOM 1194 CB THR A 89 -11.671 -3.795 -1.168 1.00 1.00 C ATOM 1195 OG1 THR A 89 -12.757 -4.061 -2.044 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.154 -3.943 0.312 1.00 1.00 C ATOM 0 H THR A 89 -9.323 -2.991 -2.406 1.00 1.00 H new ATOM 0 HA THR A 89 -11.841 -1.597 -1.733 1.00 1.00 H new ATOM 0 HB THR A 89 -10.862 -4.509 -1.326 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.110 -4.957 -1.864 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.533 -4.952 0.472 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.319 -3.758 0.988 1.00 1.00 H new ATOM 0 HG23 THR A 89 -12.947 -3.222 0.510 1.00 1.00 H new ATOM 1204 N ALA A 90 -9.687 -2.642 0.382 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.070 -2.441 1.695 1.00 1.00 C ATOM 1206 C ALA A 90 -9.932 -3.220 2.692 1.00 1.00 C ATOM 1207 O ALA A 90 -11.090 -2.895 2.951 1.00 1.00 O ATOM 1208 CB ALA A 90 -8.960 -1.027 2.113 1.00 1.00 C ATOM 0 H ALA A 90 -9.419 -3.523 -0.057 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.039 -2.793 1.653 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.492 -0.974 3.096 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.353 -0.481 1.392 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -9.954 -0.583 2.160 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.332 -4.183 3.228 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.014 -5.119 4.331 1.00 1.00 C ATOM 1216 C GLY A 91 -8.956 -5.840 5.502 1.00 1.00 C ATOM 1217 O GLY A 91 -9.431 -6.293 6.544 1.00 1.00 O ATOM 0 H GLY A 91 -8.371 -4.441 3.004 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.760 -4.529 4.864 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.547 -5.918 3.817 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.585 -5.807 5.283 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.508 -6.337 6.338 1.00 1.00 C ATOM 1223 C HIS A 92 -6.636 -7.751 6.741 1.00 1.00 C ATOM 1224 O HIS A 92 -7.706 -8.135 7.219 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.648 -5.482 7.713 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.642 -6.120 8.719 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.956 -5.692 8.831 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.499 -7.139 9.630 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.548 -6.447 9.780 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.702 -7.344 10.296 1.00 1.00 N ATOM 0 H HIS A 92 -7.169 -5.439 4.427 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.555 -6.224 5.821 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.668 -5.395 8.183 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.978 -4.471 7.475 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.395 -4.944 8.294 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.590 -7.696 9.802 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.578 -6.340 10.085 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.644 -8.576 6.572 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.834 -10.062 7.010 1.00 1.00 C ATOM 1241 C ALA A 93 -5.120 -10.319 8.342 1.00 1.00 C ATOM 1242 O ALA A 93 -3.902 -10.433 8.396 1.00 1.00 O ATOM 1243 CB ALA A 93 -5.273 -11.065 5.903 1.00 1.00 C ATOM 0 H ALA A 93 -4.736 -8.340 6.173 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.903 -10.239 7.130 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.419 -12.093 6.236 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.807 -10.908 4.966 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -4.210 -10.881 5.750 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.908 -10.415 9.414 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.355 -10.664 10.745 1.00 1.00 C ATOM 1251 C ALA A 94 -4.580 -11.983 10.759 1.00 1.00 C ATOM 1252 O ALA A 94 -5.147 -12.975 11.187 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.510 -10.725 11.801 1.00 1.00 C ATOM 0 H ALA A 94 -6.924 -10.325 9.387 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.676 -9.849 10.998 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.090 -10.911 12.789 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.047 -9.777 11.808 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -7.198 -11.530 11.542 1.00 1.00 H new TER 1259 ALA A 94