USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 413 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 33 SER OG : rot -86:sc= 0.709 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.627 X(o=1.3,f=1) USER MOD Set 2.1: A 1 TYR OH : rot 43:sc= 0.207 USER MOD Set 2.2: A 35 THR OG1 : rot 69:sc= 1.11 USER MOD Single : A 7 GLN : amide:sc= -0.0696 K(o=-0.07,f=-2.9!) USER MOD Single : A -1 SER OG : rot 180:sc= 0.00122 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -173:sc= 0 (180deg=-0.0574) USER MOD Single : A 10 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.3!) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0428) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.0619 X(o=-0.062,f=-0.16) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -67:sc= 0.767 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 46 SER OG : rot -14:sc= 0.597 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -5.643 21.451 -11.503 1.00 0.00 N ATOM 2 CA GLY A -6 -6.827 21.503 -12.341 1.00 0.00 C ATOM 3 C GLY A -6 -6.723 20.592 -13.548 1.00 0.00 C ATOM 4 O GLY A -6 -7.697 19.942 -13.929 1.00 0.00 O ATOM 0 H1 GLY A -6 -5.809 21.997 -10.633 1.00 0.00 H new ATOM 0 H2 GLY A -6 -5.435 20.462 -11.257 1.00 0.00 H new ATOM 0 H3 GLY A -6 -4.835 21.857 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -7.699 21.221 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -6.987 22.528 -12.676 1.00 0.00 H new ATOM 8 N SER A -5 -5.540 20.544 -14.153 1.00 0.00 N ATOM 9 CA SER A -5 -5.315 19.710 -15.327 1.00 0.00 C ATOM 10 C SER A -5 -5.160 18.245 -14.931 1.00 0.00 C ATOM 11 O SER A -5 -5.730 17.355 -15.563 1.00 0.00 O ATOM 12 CB SER A -5 -4.070 20.180 -16.082 1.00 0.00 C ATOM 13 OG SER A -5 -4.122 21.574 -16.333 1.00 0.00 O ATOM 0 H SER A -5 -4.723 21.073 -13.849 1.00 0.00 H new ATOM 0 HA SER A -5 -6.183 19.802 -15.979 1.00 0.00 H new ATOM 0 HB2 SER A -5 -3.178 19.945 -15.501 1.00 0.00 H new ATOM 0 HB3 SER A -5 -3.987 19.640 -17.025 1.00 0.00 H new ATOM 0 HG SER A -5 -3.315 21.850 -16.815 1.00 0.00 H new ATOM 19 N SER A -4 -4.384 18.001 -13.879 1.00 0.00 N ATOM 20 CA SER A -4 -4.150 16.644 -13.399 1.00 0.00 C ATOM 21 C SER A -4 -4.523 16.517 -11.925 1.00 0.00 C ATOM 22 O SER A -4 -4.687 17.516 -11.227 1.00 0.00 O ATOM 23 CB SER A -4 -2.685 16.255 -13.602 1.00 0.00 C ATOM 24 OG SER A -4 -1.824 17.108 -12.868 1.00 0.00 O ATOM 0 H SER A -4 -3.907 18.726 -13.343 1.00 0.00 H new ATOM 0 HA SER A -4 -4.781 15.967 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A -4 -2.533 15.222 -13.288 1.00 0.00 H new ATOM 0 HB3 SER A -4 -2.436 16.306 -14.662 1.00 0.00 H new ATOM 0 HG SER A -4 -0.893 16.837 -13.013 1.00 0.00 H new ATOM 30 N GLY A -3 -4.655 15.279 -11.459 1.00 0.00 N ATOM 31 CA GLY A -3 -5.008 15.042 -10.072 1.00 0.00 C ATOM 32 C GLY A -3 -3.801 14.711 -9.215 1.00 0.00 C ATOM 33 O GLY A -3 -3.259 15.580 -8.533 1.00 0.00 O ATOM 0 H GLY A -3 -4.524 14.436 -12.018 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -5.504 15.926 -9.670 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -5.724 14.222 -10.017 1.00 0.00 H new ATOM 37 N SER A -2 -3.381 13.451 -9.249 1.00 0.00 N ATOM 38 CA SER A -2 -2.235 13.006 -8.466 1.00 0.00 C ATOM 39 C SER A -2 -1.279 12.181 -9.323 1.00 0.00 C ATOM 40 O SER A -2 -1.701 11.290 -10.060 1.00 0.00 O ATOM 41 CB SER A -2 -2.701 12.182 -7.264 1.00 0.00 C ATOM 42 OG SER A -2 -3.654 12.895 -6.495 1.00 0.00 O ATOM 0 H SER A -2 -3.817 12.720 -9.811 1.00 0.00 H new ATOM 0 HA SER A -2 -1.705 13.889 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A -2 -3.136 11.244 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A -2 -1.844 11.926 -6.641 1.00 0.00 H new ATOM 0 HG SER A -2 -3.937 12.346 -5.734 1.00 0.00 H new ATOM 48 N SER A -1 0.011 12.484 -9.219 1.00 0.00 N ATOM 49 CA SER A -1 1.027 11.775 -9.986 1.00 0.00 C ATOM 50 C SER A -1 1.051 10.294 -9.618 1.00 0.00 C ATOM 51 O SER A -1 1.530 9.460 -10.384 1.00 0.00 O ATOM 52 CB SER A -1 2.405 12.394 -9.743 1.00 0.00 C ATOM 53 OG SER A -1 2.647 12.573 -8.358 1.00 0.00 O ATOM 0 H SER A -1 0.377 13.216 -8.610 1.00 0.00 H new ATOM 0 HA SER A -1 0.777 11.865 -11.043 1.00 0.00 H new ATOM 0 HB2 SER A -1 3.176 11.752 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A -1 2.471 13.355 -10.254 1.00 0.00 H new ATOM 0 HG SER A -1 3.534 12.968 -8.229 1.00 0.00 H new ATOM 59 N GLY A 0 0.529 9.976 -8.437 1.00 0.00 N ATOM 60 CA GLY A 0 0.499 8.597 -7.987 1.00 0.00 C ATOM 61 C GLY A 0 0.620 8.477 -6.480 1.00 0.00 C ATOM 62 O GLY A 0 0.629 9.482 -5.769 1.00 0.00 O ATOM 0 H GLY A 0 0.127 10.649 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -0.432 8.132 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 0 1.312 8.046 -8.459 1.00 0.00 H new ATOM 66 N TYR A 1 0.710 7.244 -5.992 1.00 0.00 N ATOM 67 CA TYR A 1 0.826 6.996 -4.560 1.00 0.00 C ATOM 68 C TYR A 1 2.263 6.650 -4.182 1.00 0.00 C ATOM 69 O TYR A 1 2.508 5.720 -3.415 1.00 0.00 O ATOM 70 CB TYR A 1 -0.111 5.862 -4.141 1.00 0.00 C ATOM 71 CG TYR A 1 -1.564 6.125 -4.465 1.00 0.00 C ATOM 72 CD1 TYR A 1 -2.069 5.876 -5.735 1.00 0.00 C ATOM 73 CD2 TYR A 1 -2.432 6.624 -3.501 1.00 0.00 C ATOM 74 CE1 TYR A 1 -3.396 6.116 -6.036 1.00 0.00 C ATOM 75 CE2 TYR A 1 -3.760 6.866 -3.793 1.00 0.00 C ATOM 76 CZ TYR A 1 -4.237 6.610 -5.062 1.00 0.00 C ATOM 77 OH TYR A 1 -5.560 6.851 -5.357 1.00 0.00 O ATOM 0 H TYR A 1 0.705 6.402 -6.567 1.00 0.00 H new ATOM 0 HA TYR A 1 0.541 7.907 -4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.202 4.942 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -0.011 5.697 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.413 5.488 -6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -2.062 6.826 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -3.772 5.918 -7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -4.421 7.253 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 1 -5.919 6.106 -5.882 1.00 0.00 H new ATOM 87 N GLY A 2 3.210 7.408 -4.726 1.00 0.00 N ATOM 88 CA GLY A 2 4.611 7.168 -4.434 1.00 0.00 C ATOM 89 C GLY A 2 5.085 7.921 -3.207 1.00 0.00 C ATOM 90 O GLY A 2 5.779 7.363 -2.358 1.00 0.00 O ATOM 0 H GLY A 2 3.032 8.184 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.770 6.100 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.214 7.463 -5.293 1.00 0.00 H new ATOM 94 N ALA A 3 4.711 9.193 -3.113 1.00 0.00 N ATOM 95 CA ALA A 3 5.102 10.023 -1.980 1.00 0.00 C ATOM 96 C ALA A 3 4.701 9.374 -0.660 1.00 0.00 C ATOM 97 O ALA A 3 5.321 9.618 0.375 1.00 0.00 O ATOM 98 CB ALA A 3 4.480 11.406 -2.101 1.00 0.00 C ATOM 0 H ALA A 3 4.138 9.671 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 3 6.187 10.122 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.780 12.016 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.820 11.878 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.394 11.316 -2.119 1.00 0.00 H new ATOM 104 N TRP A 4 3.662 8.547 -0.704 1.00 0.00 N ATOM 105 CA TRP A 4 3.179 7.864 0.491 1.00 0.00 C ATOM 106 C TRP A 4 4.309 7.105 1.178 1.00 0.00 C ATOM 107 O TRP A 4 5.465 7.186 0.765 1.00 0.00 O ATOM 108 CB TRP A 4 2.047 6.901 0.129 1.00 0.00 C ATOM 109 CG TRP A 4 0.747 7.591 -0.154 1.00 0.00 C ATOM 110 CD1 TRP A 4 0.575 8.897 -0.514 1.00 0.00 C ATOM 111 CD2 TRP A 4 -0.560 7.011 -0.100 1.00 0.00 C ATOM 112 NE1 TRP A 4 -0.762 9.164 -0.686 1.00 0.00 N ATOM 113 CE2 TRP A 4 -1.479 8.024 -0.439 1.00 0.00 C ATOM 114 CE3 TRP A 4 -1.045 5.735 0.200 1.00 0.00 C ATOM 115 CZ2 TRP A 4 -2.852 7.798 -0.485 1.00 0.00 C ATOM 116 CZ3 TRP A 4 -2.408 5.513 0.154 1.00 0.00 C ATOM 117 CH2 TRP A 4 -3.299 6.539 -0.186 1.00 0.00 C ATOM 0 H TRP A 4 3.139 8.333 -1.553 1.00 0.00 H new ATOM 0 HA TRP A 4 2.800 8.617 1.182 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.340 6.320 -0.746 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.905 6.195 0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.372 9.614 -0.644 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.156 10.066 -0.954 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.367 4.937 0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.540 8.588 -0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.793 4.531 0.384 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.359 6.333 -0.213 1.00 0.00 H new ATOM 128 N ALA A 5 3.966 6.368 2.230 1.00 0.00 N ATOM 129 CA ALA A 5 4.952 5.593 2.973 1.00 0.00 C ATOM 130 C ALA A 5 4.536 4.129 3.076 1.00 0.00 C ATOM 131 O ALA A 5 3.349 3.817 3.165 1.00 0.00 O ATOM 132 CB ALA A 5 5.153 6.185 4.360 1.00 0.00 C ATOM 0 H ALA A 5 3.013 6.292 2.586 1.00 0.00 H new ATOM 0 HA ALA A 5 5.896 5.638 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.892 5.596 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.504 7.213 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.208 6.171 4.902 1.00 0.00 H new ATOM 138 N ALA A 6 5.520 3.236 3.062 1.00 0.00 N ATOM 139 CA ALA A 6 5.255 1.806 3.156 1.00 0.00 C ATOM 140 C ALA A 6 4.060 1.527 4.060 1.00 0.00 C ATOM 141 O ALA A 6 3.140 0.802 3.682 1.00 0.00 O ATOM 142 CB ALA A 6 6.488 1.073 3.665 1.00 0.00 C ATOM 0 H ALA A 6 6.508 3.478 2.986 1.00 0.00 H new ATOM 0 HA ALA A 6 5.015 1.440 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.276 0.006 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.318 1.237 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.754 1.451 4.652 1.00 0.00 H new ATOM 148 N GLN A 7 4.081 2.106 5.257 1.00 0.00 N ATOM 149 CA GLN A 7 2.999 1.917 6.215 1.00 0.00 C ATOM 150 C GLN A 7 1.659 2.327 5.611 1.00 0.00 C ATOM 151 O GLN A 7 0.719 1.534 5.569 1.00 0.00 O ATOM 152 CB GLN A 7 3.267 2.726 7.485 1.00 0.00 C ATOM 153 CG GLN A 7 2.150 2.635 8.512 1.00 0.00 C ATOM 154 CD GLN A 7 2.220 1.367 9.340 1.00 0.00 C ATOM 155 OE1 GLN A 7 2.749 0.349 8.893 1.00 0.00 O ATOM 156 NE2 GLN A 7 1.685 1.422 10.554 1.00 0.00 N ATOM 0 H GLN A 7 4.835 2.709 5.585 1.00 0.00 H new ATOM 0 HA GLN A 7 2.954 0.858 6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.195 2.378 7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.417 3.771 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.199 3.500 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.188 2.678 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.257 2.287 10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.702 0.599 11.157 1.00 0.00 H new ATOM 165 N GLU A 8 1.580 3.569 5.146 1.00 0.00 N ATOM 166 CA GLU A 8 0.355 4.083 4.546 1.00 0.00 C ATOM 167 C GLU A 8 -0.211 3.094 3.531 1.00 0.00 C ATOM 168 O GLU A 8 -1.370 2.689 3.621 1.00 0.00 O ATOM 169 CB GLU A 8 0.618 5.430 3.870 1.00 0.00 C ATOM 170 CG GLU A 8 0.663 6.600 4.839 1.00 0.00 C ATOM 171 CD GLU A 8 1.986 6.696 5.575 1.00 0.00 C ATOM 172 OE1 GLU A 8 2.340 5.732 6.285 1.00 0.00 O ATOM 173 OE2 GLU A 8 2.666 7.735 5.441 1.00 0.00 O ATOM 0 H GLU A 8 2.350 4.238 5.173 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.378 4.220 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.565 5.378 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.160 5.613 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.487 7.527 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.145 6.499 5.563 1.00 0.00 H new ATOM 180 N LEU A 9 0.617 2.709 2.566 1.00 0.00 N ATOM 181 CA LEU A 9 0.200 1.767 1.532 1.00 0.00 C ATOM 182 C LEU A 9 -0.377 0.498 2.153 1.00 0.00 C ATOM 183 O LEU A 9 -1.530 0.146 1.906 1.00 0.00 O ATOM 184 CB LEU A 9 1.384 1.413 0.630 1.00 0.00 C ATOM 185 CG LEU A 9 2.094 2.592 -0.037 1.00 0.00 C ATOM 186 CD1 LEU A 9 3.477 2.179 -0.517 1.00 0.00 C ATOM 187 CD2 LEU A 9 1.265 3.129 -1.194 1.00 0.00 C ATOM 0 H LEU A 9 1.580 3.034 2.478 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.576 2.243 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.115 0.862 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.032 0.738 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 9 2.209 3.386 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.968 3.030 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.072 1.843 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.384 1.368 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.786 3.967 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.118 2.341 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.296 3.464 -0.823 1.00 0.00 H new ATOM 199 N GLN A 10 0.431 -0.181 2.959 1.00 0.00 N ATOM 200 CA GLN A 10 -0.001 -1.409 3.616 1.00 0.00 C ATOM 201 C GLN A 10 -1.351 -1.216 4.297 1.00 0.00 C ATOM 202 O GLN A 10 -2.312 -1.928 4.006 1.00 0.00 O ATOM 203 CB GLN A 10 1.042 -1.859 4.641 1.00 0.00 C ATOM 204 CG GLN A 10 2.160 -2.697 4.044 1.00 0.00 C ATOM 205 CD GLN A 10 2.820 -3.603 5.065 1.00 0.00 C ATOM 206 OE1 GLN A 10 3.096 -4.771 4.790 1.00 0.00 O ATOM 207 NE2 GLN A 10 3.078 -3.067 6.253 1.00 0.00 N ATOM 0 H GLN A 10 1.388 0.098 3.173 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.107 -2.181 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.474 -0.979 5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.546 -2.434 5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.760 -3.303 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.911 -2.037 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.832 -2.094 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.522 -3.628 6.980 1.00 0.00 H new ATOM 216 N ALA A 11 -1.417 -0.249 5.207 1.00 0.00 N ATOM 217 CA ALA A 11 -2.650 0.039 5.928 1.00 0.00 C ATOM 218 C ALA A 11 -3.858 -0.028 5.000 1.00 0.00 C ATOM 219 O ALA A 11 -4.717 -0.897 5.144 1.00 0.00 O ATOM 220 CB ALA A 11 -2.566 1.405 6.592 1.00 0.00 C ATOM 0 H ALA A 11 -0.630 0.348 5.462 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.776 -0.720 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.494 1.607 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.732 1.418 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.412 2.170 5.831 1.00 0.00 H new ATOM 226 N LYS A 12 -3.917 0.897 4.048 1.00 0.00 N ATOM 227 CA LYS A 12 -5.020 0.944 3.094 1.00 0.00 C ATOM 228 C LYS A 12 -5.254 -0.426 2.465 1.00 0.00 C ATOM 229 O LYS A 12 -6.346 -0.987 2.564 1.00 0.00 O ATOM 230 CB LYS A 12 -4.732 1.976 2.002 1.00 0.00 C ATOM 231 CG LYS A 12 -4.743 3.410 2.502 1.00 0.00 C ATOM 232 CD LYS A 12 -6.153 3.882 2.814 1.00 0.00 C ATOM 233 CE LYS A 12 -6.852 4.411 1.571 1.00 0.00 C ATOM 234 NZ LYS A 12 -8.203 4.955 1.883 1.00 0.00 N ATOM 0 H LYS A 12 -3.214 1.624 3.916 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.922 1.236 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.759 1.762 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.473 1.871 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.126 3.489 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.298 4.062 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.729 3.057 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.117 4.664 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.242 5.192 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.944 3.610 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.731 5.101 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.717 4.282 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.105 5.863 2.381 1.00 0.00 H new ATOM 248 N LEU A 13 -4.223 -0.959 1.820 1.00 0.00 N ATOM 249 CA LEU A 13 -4.316 -2.265 1.175 1.00 0.00 C ATOM 250 C LEU A 13 -5.084 -3.250 2.050 1.00 0.00 C ATOM 251 O LEU A 13 -5.947 -3.982 1.567 1.00 0.00 O ATOM 252 CB LEU A 13 -2.917 -2.811 0.880 1.00 0.00 C ATOM 253 CG LEU A 13 -2.147 -2.112 -0.240 1.00 0.00 C ATOM 254 CD1 LEU A 13 -0.924 -2.925 -0.635 1.00 0.00 C ATOM 255 CD2 LEU A 13 -3.048 -1.882 -1.445 1.00 0.00 C ATOM 0 H LEU A 13 -3.313 -0.508 1.729 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.857 -2.142 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.325 -2.751 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.007 -3.868 0.628 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.811 -1.142 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.388 -2.412 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.268 -3.038 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.238 -3.909 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.483 -1.383 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.415 -2.840 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.893 -1.258 -1.154 1.00 0.00 H new ATOM 267 N ALA A 14 -4.766 -3.261 3.340 1.00 0.00 N ATOM 268 CA ALA A 14 -5.430 -4.153 4.283 1.00 0.00 C ATOM 269 C ALA A 14 -6.889 -3.757 4.479 1.00 0.00 C ATOM 270 O ALA A 14 -7.767 -4.614 4.574 1.00 0.00 O ATOM 271 CB ALA A 14 -4.697 -4.151 5.617 1.00 0.00 C ATOM 0 H ALA A 14 -4.053 -2.662 3.756 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.407 -5.161 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.204 -4.821 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.671 -4.489 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.690 -3.141 6.027 1.00 0.00 H new ATOM 277 N GLU A 15 -7.141 -2.453 4.540 1.00 0.00 N ATOM 278 CA GLU A 15 -8.495 -1.945 4.727 1.00 0.00 C ATOM 279 C GLU A 15 -9.401 -2.374 3.576 1.00 0.00 C ATOM 280 O GLU A 15 -10.507 -2.869 3.794 1.00 0.00 O ATOM 281 CB GLU A 15 -8.480 -0.418 4.836 1.00 0.00 C ATOM 282 CG GLU A 15 -8.297 0.088 6.257 1.00 0.00 C ATOM 283 CD GLU A 15 -9.179 -0.639 7.254 1.00 0.00 C ATOM 284 OE1 GLU A 15 -10.415 -0.619 7.076 1.00 0.00 O ATOM 285 OE2 GLU A 15 -8.634 -1.227 8.212 1.00 0.00 O ATOM 0 H GLU A 15 -6.426 -1.730 4.463 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.888 -2.365 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.676 -0.025 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.415 -0.024 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.253 -0.029 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.520 1.154 6.290 1.00 0.00 H new ATOM 292 N ILE A 16 -8.923 -2.180 2.351 1.00 0.00 N ATOM 293 CA ILE A 16 -9.688 -2.547 1.166 1.00 0.00 C ATOM 294 C ILE A 16 -9.868 -4.059 1.074 1.00 0.00 C ATOM 295 O ILE A 16 -10.704 -4.550 0.317 1.00 0.00 O ATOM 296 CB ILE A 16 -9.010 -2.043 -0.121 1.00 0.00 C ATOM 297 CG1 ILE A 16 -7.575 -2.567 -0.206 1.00 0.00 C ATOM 298 CG2 ILE A 16 -9.027 -0.522 -0.169 1.00 0.00 C ATOM 299 CD1 ILE A 16 -6.923 -2.329 -1.550 1.00 0.00 C ATOM 0 H ILE A 16 -8.010 -1.771 2.154 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.664 -2.072 1.262 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.567 -2.420 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.976 -2.089 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.574 -3.636 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.544 -0.181 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.058 -0.169 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.491 -0.125 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.908 -2.726 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.499 -2.830 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.891 -1.259 -1.755 1.00 0.00 H new ATOM 311 N GLY A 17 -9.079 -4.791 1.854 1.00 0.00 N ATOM 312 CA GLY A 17 -9.167 -6.240 1.847 1.00 0.00 C ATOM 313 C GLY A 17 -8.194 -6.876 0.874 1.00 0.00 C ATOM 314 O GLY A 17 -8.385 -8.015 0.451 1.00 0.00 O ATOM 0 H GLY A 17 -8.381 -4.407 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.971 -6.618 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.183 -6.538 1.587 1.00 0.00 H new ATOM 318 N ALA A 18 -7.149 -6.136 0.516 1.00 0.00 N ATOM 319 CA ALA A 18 -6.143 -6.635 -0.413 1.00 0.00 C ATOM 320 C ALA A 18 -4.871 -7.043 0.322 1.00 0.00 C ATOM 321 O ALA A 18 -4.571 -6.554 1.411 1.00 0.00 O ATOM 322 CB ALA A 18 -5.832 -5.583 -1.468 1.00 0.00 C ATOM 0 H ALA A 18 -6.978 -5.189 0.855 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.546 -7.520 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.079 -5.969 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.740 -5.343 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.454 -4.683 -0.984 1.00 0.00 H new ATOM 328 N PRO A 19 -4.103 -7.959 -0.286 1.00 0.00 N ATOM 329 CA PRO A 19 -2.851 -8.453 0.293 1.00 0.00 C ATOM 330 C PRO A 19 -1.755 -7.393 0.294 1.00 0.00 C ATOM 331 O PRO A 19 -1.522 -6.727 -0.716 1.00 0.00 O ATOM 332 CB PRO A 19 -2.469 -9.616 -0.625 1.00 0.00 C ATOM 333 CG PRO A 19 -3.122 -9.301 -1.927 1.00 0.00 C ATOM 334 CD PRO A 19 -4.399 -8.584 -1.586 1.00 0.00 C ATOM 0 HA PRO A 19 -2.971 -8.739 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.387 -9.696 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.820 -10.567 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.477 -8.677 -2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.324 -10.211 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.656 -7.840 -2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.241 -9.273 -1.518 1.00 0.00 H new ATOM 342 N ILE A 20 -1.085 -7.241 1.431 1.00 0.00 N ATOM 343 CA ILE A 20 -0.013 -6.262 1.561 1.00 0.00 C ATOM 344 C ILE A 20 1.317 -6.838 1.087 1.00 0.00 C ATOM 345 O ILE A 20 2.362 -6.586 1.687 1.00 0.00 O ATOM 346 CB ILE A 20 0.138 -5.782 3.017 1.00 0.00 C ATOM 347 CG1 ILE A 20 0.276 -6.979 3.960 1.00 0.00 C ATOM 348 CG2 ILE A 20 -1.051 -4.921 3.416 1.00 0.00 C ATOM 349 CD1 ILE A 20 0.733 -6.602 5.352 1.00 0.00 C ATOM 0 H ILE A 20 -1.266 -7.783 2.276 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.283 -5.413 0.933 1.00 0.00 H new ATOM 0 HB ILE A 20 1.042 -5.178 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.684 -7.491 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.985 -7.688 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.930 -4.589 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.108 -4.053 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.968 -5.503 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.809 -7.500 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.708 -6.117 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.012 -5.917 5.799 1.00 0.00 H new ATOM 361 N GLN A 21 1.270 -7.611 0.007 1.00 0.00 N ATOM 362 CA GLN A 21 2.472 -8.222 -0.548 1.00 0.00 C ATOM 363 C GLN A 21 3.106 -7.318 -1.600 1.00 0.00 C ATOM 364 O GLN A 21 2.436 -6.472 -2.191 1.00 0.00 O ATOM 365 CB GLN A 21 2.142 -9.584 -1.161 1.00 0.00 C ATOM 366 CG GLN A 21 1.496 -9.492 -2.534 1.00 0.00 C ATOM 367 CD GLN A 21 1.348 -10.846 -3.200 1.00 0.00 C ATOM 368 OE1 GLN A 21 2.297 -11.371 -3.783 1.00 0.00 O ATOM 369 NE2 GLN A 21 0.153 -11.419 -3.117 1.00 0.00 N ATOM 0 H GLN A 21 0.413 -7.829 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 21 3.186 -8.361 0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.058 -10.170 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.474 -10.123 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.514 -9.028 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.095 -8.841 -3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.605 -10.948 -2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.007 -12.330 -3.546 1.00 0.00 H new ATOM 378 N GLY A 22 4.403 -7.503 -1.829 1.00 0.00 N ATOM 379 CA GLY A 22 5.105 -6.696 -2.810 1.00 0.00 C ATOM 380 C GLY A 22 5.860 -5.543 -2.179 1.00 0.00 C ATOM 381 O GLY A 22 5.427 -4.987 -1.171 1.00 0.00 O ATOM 0 H GLY A 22 4.979 -8.197 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.804 -7.326 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.390 -6.305 -3.533 1.00 0.00 H new ATOM 385 N ASN A 23 6.994 -5.184 -2.773 1.00 0.00 N ATOM 386 CA ASN A 23 7.812 -4.091 -2.261 1.00 0.00 C ATOM 387 C ASN A 23 7.141 -2.745 -2.514 1.00 0.00 C ATOM 388 O ASN A 23 6.099 -2.672 -3.165 1.00 0.00 O ATOM 389 CB ASN A 23 9.196 -4.114 -2.913 1.00 0.00 C ATOM 390 CG ASN A 23 9.770 -5.515 -3.002 1.00 0.00 C ATOM 391 OD1 ASN A 23 9.644 -6.310 -2.071 1.00 0.00 O ATOM 392 ND2 ASN A 23 10.405 -5.824 -4.127 1.00 0.00 N ATOM 0 H ASN A 23 7.367 -5.634 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 23 7.922 -4.226 -1.185 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.130 -3.687 -3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.875 -3.482 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.812 -6.752 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.486 -5.133 -4.873 1.00 0.00 H new ATOM 399 N ARG A 24 7.746 -1.681 -1.995 1.00 0.00 N ATOM 400 CA ARG A 24 7.207 -0.337 -2.163 1.00 0.00 C ATOM 401 C ARG A 24 6.617 -0.159 -3.559 1.00 0.00 C ATOM 402 O ARG A 24 5.438 0.159 -3.708 1.00 0.00 O ATOM 403 CB ARG A 24 8.299 0.707 -1.923 1.00 0.00 C ATOM 404 CG ARG A 24 7.796 2.140 -1.991 1.00 0.00 C ATOM 405 CD ARG A 24 8.788 3.108 -1.364 1.00 0.00 C ATOM 406 NE ARG A 24 8.587 3.241 0.076 1.00 0.00 N ATOM 407 CZ ARG A 24 9.311 4.043 0.849 1.00 0.00 C ATOM 408 NH1 ARG A 24 10.279 4.780 0.321 1.00 0.00 N ATOM 409 NH2 ARG A 24 9.068 4.109 2.152 1.00 0.00 N ATOM 0 H ARG A 24 8.610 -1.724 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 24 6.412 -0.197 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.747 0.534 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.088 0.572 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.623 2.417 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.838 2.215 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.803 2.763 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.688 4.086 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 24 7.850 2.688 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.469 4.732 -0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.834 5.395 0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.324 3.543 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.625 4.725 2.744 1.00 0.00 H new ATOM 423 N GLU A 25 7.446 -0.367 -4.577 1.00 0.00 N ATOM 424 CA GLU A 25 7.005 -0.228 -5.961 1.00 0.00 C ATOM 425 C GLU A 25 5.731 -1.030 -6.209 1.00 0.00 C ATOM 426 O GLU A 25 4.715 -0.484 -6.637 1.00 0.00 O ATOM 427 CB GLU A 25 8.106 -0.688 -6.918 1.00 0.00 C ATOM 428 CG GLU A 25 9.371 0.150 -6.839 1.00 0.00 C ATOM 429 CD GLU A 25 9.151 1.583 -7.282 1.00 0.00 C ATOM 430 OE1 GLU A 25 8.454 2.326 -6.559 1.00 0.00 O ATOM 431 OE2 GLU A 25 9.674 1.962 -8.351 1.00 0.00 O ATOM 0 H GLU A 25 8.425 -0.632 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 25 6.791 0.825 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.354 -1.727 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.724 -0.659 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.743 0.144 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.142 -0.304 -7.461 1.00 0.00 H new ATOM 438 N GLU A 26 5.796 -2.330 -5.939 1.00 0.00 N ATOM 439 CA GLU A 26 4.648 -3.208 -6.135 1.00 0.00 C ATOM 440 C GLU A 26 3.404 -2.637 -5.461 1.00 0.00 C ATOM 441 O GLU A 26 2.394 -2.376 -6.115 1.00 0.00 O ATOM 442 CB GLU A 26 4.945 -4.604 -5.583 1.00 0.00 C ATOM 443 CG GLU A 26 6.105 -5.299 -6.276 1.00 0.00 C ATOM 444 CD GLU A 26 5.867 -5.489 -7.762 1.00 0.00 C ATOM 445 OE1 GLU A 26 5.872 -4.479 -8.497 1.00 0.00 O ATOM 446 OE2 GLU A 26 5.676 -6.646 -8.189 1.00 0.00 O ATOM 0 H GLU A 26 6.630 -2.798 -5.584 1.00 0.00 H new ATOM 0 HA GLU A 26 4.458 -3.281 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.164 -4.525 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.052 -5.221 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.014 -4.715 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.272 -6.271 -5.811 1.00 0.00 H new ATOM 453 N LEU A 27 3.486 -2.445 -4.149 1.00 0.00 N ATOM 454 CA LEU A 27 2.367 -1.905 -3.384 1.00 0.00 C ATOM 455 C LEU A 27 1.696 -0.759 -4.135 1.00 0.00 C ATOM 456 O LEU A 27 0.495 -0.798 -4.403 1.00 0.00 O ATOM 457 CB LEU A 27 2.847 -1.420 -2.014 1.00 0.00 C ATOM 458 CG LEU A 27 3.588 -2.448 -1.160 1.00 0.00 C ATOM 459 CD1 LEU A 27 4.188 -1.787 0.071 1.00 0.00 C ATOM 460 CD2 LEU A 27 2.654 -3.581 -0.758 1.00 0.00 C ATOM 0 H LEU A 27 4.315 -2.655 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 27 1.636 -2.701 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.502 -0.562 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.982 -1.067 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 27 4.400 -2.867 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.712 -2.535 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.890 -1.012 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.393 -1.339 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.199 -4.303 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.820 -3.178 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.273 -4.073 -1.653 1.00 0.00 H new ATOM 472 N VAL A 28 2.481 0.259 -4.475 1.00 0.00 N ATOM 473 CA VAL A 28 1.964 1.414 -5.199 1.00 0.00 C ATOM 474 C VAL A 28 1.236 0.986 -6.468 1.00 0.00 C ATOM 475 O VAL A 28 0.151 1.482 -6.770 1.00 0.00 O ATOM 476 CB VAL A 28 3.092 2.393 -5.572 1.00 0.00 C ATOM 477 CG1 VAL A 28 2.534 3.585 -6.336 1.00 0.00 C ATOM 478 CG2 VAL A 28 3.835 2.849 -4.325 1.00 0.00 C ATOM 0 H VAL A 28 3.477 0.307 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 28 1.262 1.917 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 28 3.799 1.876 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.346 4.266 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.051 3.238 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.805 4.106 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.629 3.541 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.141 3.350 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.269 1.984 -3.823 1.00 0.00 H new ATOM 488 N GLU A 29 1.842 0.062 -7.208 1.00 0.00 N ATOM 489 CA GLU A 29 1.250 -0.432 -8.446 1.00 0.00 C ATOM 490 C GLU A 29 -0.139 -1.009 -8.193 1.00 0.00 C ATOM 491 O GLU A 29 -1.053 -0.832 -8.999 1.00 0.00 O ATOM 492 CB GLU A 29 2.150 -1.496 -9.077 1.00 0.00 C ATOM 493 CG GLU A 29 1.797 -1.813 -10.521 1.00 0.00 C ATOM 494 CD GLU A 29 2.182 -3.225 -10.919 1.00 0.00 C ATOM 495 OE1 GLU A 29 1.551 -4.177 -10.414 1.00 0.00 O ATOM 496 OE2 GLU A 29 3.114 -3.377 -11.736 1.00 0.00 O ATOM 0 H GLU A 29 2.741 -0.359 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 29 1.155 0.408 -9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.185 -1.158 -9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.086 -2.410 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.725 -1.678 -10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.301 -1.104 -11.178 1.00 0.00 H new ATOM 503 N ARG A 30 -0.290 -1.702 -7.069 1.00 0.00 N ATOM 504 CA ARG A 30 -1.567 -2.307 -6.710 1.00 0.00 C ATOM 505 C ARG A 30 -2.634 -1.238 -6.497 1.00 0.00 C ATOM 506 O ARG A 30 -3.714 -1.297 -7.087 1.00 0.00 O ATOM 507 CB ARG A 30 -1.416 -3.153 -5.444 1.00 0.00 C ATOM 508 CG ARG A 30 -2.660 -3.953 -5.094 1.00 0.00 C ATOM 509 CD ARG A 30 -2.551 -4.578 -3.712 1.00 0.00 C ATOM 510 NE ARG A 30 -1.917 -5.893 -3.755 1.00 0.00 N ATOM 511 CZ ARG A 30 -0.602 -6.075 -3.754 1.00 0.00 C ATOM 512 NH1 ARG A 30 0.216 -5.032 -3.713 1.00 0.00 N ATOM 513 NH2 ARG A 30 -0.101 -7.303 -3.795 1.00 0.00 N ATOM 0 H ARG A 30 0.456 -1.858 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.881 -2.949 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.578 -3.838 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.168 -2.499 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.534 -3.303 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.811 -4.736 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.976 -3.920 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.546 -4.669 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.518 -6.717 -3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.165 -4.086 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.226 -5.176 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.726 -8.108 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.910 -7.442 -3.794 1.00 0.00 H new ATOM 527 N LEU A 31 -2.327 -0.263 -5.649 1.00 0.00 N ATOM 528 CA LEU A 31 -3.260 0.820 -5.357 1.00 0.00 C ATOM 529 C LEU A 31 -3.642 1.567 -6.631 1.00 0.00 C ATOM 530 O LEU A 31 -4.804 1.923 -6.828 1.00 0.00 O ATOM 531 CB LEU A 31 -2.646 1.791 -4.347 1.00 0.00 C ATOM 532 CG LEU A 31 -2.697 1.356 -2.882 1.00 0.00 C ATOM 533 CD1 LEU A 31 -1.670 2.121 -2.062 1.00 0.00 C ATOM 534 CD2 LEU A 31 -4.094 1.560 -2.314 1.00 0.00 C ATOM 0 H LEU A 31 -1.439 -0.200 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.162 0.384 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.604 1.957 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.156 2.750 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.456 0.294 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.721 1.798 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.672 1.925 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.880 3.189 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.112 1.245 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.363 2.614 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.809 0.967 -2.884 1.00 0.00 H new ATOM 546 N GLN A 32 -2.657 1.801 -7.492 1.00 0.00 N ATOM 547 CA GLN A 32 -2.892 2.505 -8.748 1.00 0.00 C ATOM 548 C GLN A 32 -3.844 1.719 -9.643 1.00 0.00 C ATOM 549 O GLN A 32 -4.720 2.293 -10.289 1.00 0.00 O ATOM 550 CB GLN A 32 -1.568 2.745 -9.477 1.00 0.00 C ATOM 551 CG GLN A 32 -0.901 4.059 -9.108 1.00 0.00 C ATOM 552 CD GLN A 32 -1.384 5.218 -9.958 1.00 0.00 C ATOM 553 OE1 GLN A 32 -2.497 5.712 -9.780 1.00 0.00 O ATOM 554 NE2 GLN A 32 -0.546 5.658 -10.890 1.00 0.00 N ATOM 0 H GLN A 32 -1.690 1.514 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.351 3.466 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.886 1.925 -9.253 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.746 2.727 -10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.095 4.278 -8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.179 3.958 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.368 5.219 -11.003 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.816 6.435 -11.493 1.00 0.00 H new ATOM 563 N SER A 33 -3.665 0.402 -9.676 1.00 0.00 N ATOM 564 CA SER A 33 -4.506 -0.463 -10.496 1.00 0.00 C ATOM 565 C SER A 33 -5.951 -0.438 -10.007 1.00 0.00 C ATOM 566 O SER A 33 -6.888 -0.405 -10.805 1.00 0.00 O ATOM 567 CB SER A 33 -3.974 -1.897 -10.475 1.00 0.00 C ATOM 568 OG SER A 33 -4.584 -2.683 -11.484 1.00 0.00 O ATOM 0 H SER A 33 -2.946 -0.089 -9.145 1.00 0.00 H new ATOM 0 HA SER A 33 -4.480 -0.088 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.894 -1.889 -10.619 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.162 -2.344 -9.499 1.00 0.00 H new ATOM 0 HG SER A 33 -5.427 -3.052 -11.147 1.00 0.00 H new ATOM 574 N TYR A 34 -6.123 -0.454 -8.690 1.00 0.00 N ATOM 575 CA TYR A 34 -7.453 -0.435 -8.092 1.00 0.00 C ATOM 576 C TYR A 34 -8.158 0.888 -8.372 1.00 0.00 C ATOM 577 O TYR A 34 -9.353 0.920 -8.668 1.00 0.00 O ATOM 578 CB TYR A 34 -7.360 -0.667 -6.583 1.00 0.00 C ATOM 579 CG TYR A 34 -8.660 -0.420 -5.851 1.00 0.00 C ATOM 580 CD1 TYR A 34 -9.085 0.872 -5.566 1.00 0.00 C ATOM 581 CD2 TYR A 34 -9.464 -1.478 -5.446 1.00 0.00 C ATOM 582 CE1 TYR A 34 -10.271 1.102 -4.897 1.00 0.00 C ATOM 583 CE2 TYR A 34 -10.653 -1.257 -4.778 1.00 0.00 C ATOM 584 CZ TYR A 34 -11.052 0.035 -4.505 1.00 0.00 C ATOM 585 OH TYR A 34 -12.235 0.260 -3.840 1.00 0.00 O ATOM 0 H TYR A 34 -5.358 -0.480 -8.016 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.037 -1.239 -8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.039 -1.693 -6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.591 -0.014 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.477 1.710 -5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.154 -2.491 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.585 2.113 -4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.267 -2.091 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.664 -0.597 -3.637 1.00 0.00 H new ATOM 595 N THR A 35 -7.408 1.982 -8.277 1.00 0.00 N ATOM 596 CA THR A 35 -7.959 3.310 -8.520 1.00 0.00 C ATOM 597 C THR A 35 -8.526 3.421 -9.930 1.00 0.00 C ATOM 598 O THR A 35 -9.655 3.871 -10.122 1.00 0.00 O ATOM 599 CB THR A 35 -6.895 4.405 -8.318 1.00 0.00 C ATOM 600 OG1 THR A 35 -6.349 4.321 -6.997 1.00 0.00 O ATOM 601 CG2 THR A 35 -7.492 5.787 -8.539 1.00 0.00 C ATOM 0 H THR A 35 -6.418 1.974 -8.034 1.00 0.00 H new ATOM 0 HA THR A 35 -8.762 3.456 -7.797 1.00 0.00 H new ATOM 0 HB THR A 35 -6.101 4.248 -9.049 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.815 3.503 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.722 6.544 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.880 5.858 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.303 5.951 -7.829 1.00 0.00 H new ATOM 609 N ARG A 36 -7.735 3.007 -10.915 1.00 0.00 N ATOM 610 CA ARG A 36 -8.158 3.061 -12.309 1.00 0.00 C ATOM 611 C ARG A 36 -9.204 1.989 -12.601 1.00 0.00 C ATOM 612 O ARG A 36 -10.271 2.281 -13.141 1.00 0.00 O ATOM 613 CB ARG A 36 -6.955 2.882 -13.237 1.00 0.00 C ATOM 614 CG ARG A 36 -7.118 3.567 -14.584 1.00 0.00 C ATOM 615 CD ARG A 36 -5.952 3.257 -15.510 1.00 0.00 C ATOM 616 NE ARG A 36 -4.734 3.957 -15.111 1.00 0.00 N ATOM 617 CZ ARG A 36 -4.542 5.259 -15.294 1.00 0.00 C ATOM 618 NH1 ARG A 36 -5.482 5.998 -15.867 1.00 0.00 N ATOM 619 NH2 ARG A 36 -3.406 5.824 -14.904 1.00 0.00 N ATOM 0 H ARG A 36 -6.798 2.631 -10.773 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.604 4.039 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.065 3.275 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.786 1.817 -13.398 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.049 3.243 -15.048 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.193 4.645 -14.439 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.768 2.183 -15.514 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.214 3.539 -16.530 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.991 3.417 -14.668 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.356 5.567 -16.169 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.331 6.997 -16.006 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.680 5.259 -14.464 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.259 6.823 -15.045 1.00 0.00 H new ATOM 633 N GLN A 37 -8.890 0.749 -12.241 1.00 0.00 N ATOM 634 CA GLN A 37 -9.802 -0.366 -12.466 1.00 0.00 C ATOM 635 C GLN A 37 -11.243 0.045 -12.183 1.00 0.00 C ATOM 636 O GLN A 37 -12.101 -0.010 -13.065 1.00 0.00 O ATOM 637 CB GLN A 37 -9.415 -1.555 -11.585 1.00 0.00 C ATOM 638 CG GLN A 37 -8.390 -2.478 -12.224 1.00 0.00 C ATOM 639 CD GLN A 37 -8.169 -3.747 -11.425 1.00 0.00 C ATOM 640 OE1 GLN A 37 -7.123 -3.927 -10.801 1.00 0.00 O ATOM 641 NE2 GLN A 37 -9.156 -4.636 -11.440 1.00 0.00 N ATOM 0 H GLN A 37 -8.011 0.491 -11.792 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.726 -0.660 -13.513 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.018 -1.183 -10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.311 -2.129 -11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.719 -2.739 -13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.443 -1.948 -12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.006 -4.446 -11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.064 -5.509 -10.921 1.00 0.00 H new ATOM 650 N THR A 38 -11.504 0.456 -10.946 1.00 0.00 N ATOM 651 CA THR A 38 -12.842 0.874 -10.546 1.00 0.00 C ATOM 652 C THR A 38 -13.094 2.332 -10.911 1.00 0.00 C ATOM 653 O THR A 38 -14.183 2.691 -11.357 1.00 0.00 O ATOM 654 CB THR A 38 -13.058 0.691 -9.032 1.00 0.00 C ATOM 655 OG1 THR A 38 -12.145 1.519 -8.303 1.00 0.00 O ATOM 656 CG2 THR A 38 -12.864 -0.763 -8.629 1.00 0.00 C ATOM 0 H THR A 38 -10.806 0.508 -10.204 1.00 0.00 H new ATOM 0 HA THR A 38 -13.546 0.240 -11.085 1.00 0.00 H new ATOM 0 HB THR A 38 -14.081 0.983 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.230 1.197 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 38 -13.022 -0.867 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.580 -1.387 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.851 -1.078 -8.879 1.00 0.00 H new ATOM 664 N GLY A 39 -12.080 3.170 -10.720 1.00 0.00 N ATOM 665 CA GLY A 39 -12.212 4.580 -11.035 1.00 0.00 C ATOM 666 C GLY A 39 -12.503 5.423 -9.810 1.00 0.00 C ATOM 667 O GLY A 39 -13.162 6.459 -9.903 1.00 0.00 O ATOM 0 H GLY A 39 -11.169 2.897 -10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.293 4.932 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.013 4.713 -11.762 1.00 0.00 H new ATOM 671 N ILE A 40 -12.012 4.979 -8.658 1.00 0.00 N ATOM 672 CA ILE A 40 -12.224 5.700 -7.409 1.00 0.00 C ATOM 673 C ILE A 40 -10.896 6.071 -6.756 1.00 0.00 C ATOM 674 O ILE A 40 -10.062 5.207 -6.487 1.00 0.00 O ATOM 675 CB ILE A 40 -13.058 4.871 -6.414 1.00 0.00 C ATOM 676 CG1 ILE A 40 -14.419 4.525 -7.021 1.00 0.00 C ATOM 677 CG2 ILE A 40 -13.232 5.631 -5.108 1.00 0.00 C ATOM 678 CD1 ILE A 40 -15.170 3.460 -6.253 1.00 0.00 C ATOM 0 H ILE A 40 -11.465 4.123 -8.564 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.770 6.609 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.528 3.942 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.028 5.428 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.275 4.188 -8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.823 5.033 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.254 5.832 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.744 6.574 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.125 3.266 -6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.581 2.543 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.346 3.803 -5.233 1.00 0.00 H new ATOM 690 N VAL A 41 -10.708 7.362 -6.503 1.00 0.00 N ATOM 691 CA VAL A 41 -9.483 7.848 -5.879 1.00 0.00 C ATOM 692 C VAL A 41 -9.569 7.761 -4.359 1.00 0.00 C ATOM 693 O VAL A 41 -10.546 8.206 -3.755 1.00 0.00 O ATOM 694 CB VAL A 41 -9.186 9.304 -6.283 1.00 0.00 C ATOM 695 CG1 VAL A 41 -7.920 9.800 -5.602 1.00 0.00 C ATOM 696 CG2 VAL A 41 -9.069 9.423 -7.795 1.00 0.00 C ATOM 0 H VAL A 41 -11.388 8.090 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.673 7.209 -6.232 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.015 9.930 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.727 10.831 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.046 9.752 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.079 9.173 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.859 10.458 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.259 8.785 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.005 9.111 -8.258 1.00 0.00 H new ATOM 706 N LEU A 42 -8.540 7.187 -3.746 1.00 0.00 N ATOM 707 CA LEU A 42 -8.498 7.042 -2.295 1.00 0.00 C ATOM 708 C LEU A 42 -7.917 8.291 -1.640 1.00 0.00 C ATOM 709 O LEU A 42 -7.351 9.151 -2.313 1.00 0.00 O ATOM 710 CB LEU A 42 -7.668 5.817 -1.909 1.00 0.00 C ATOM 711 CG LEU A 42 -8.075 4.496 -2.564 1.00 0.00 C ATOM 712 CD1 LEU A 42 -6.989 3.449 -2.374 1.00 0.00 C ATOM 713 CD2 LEU A 42 -9.398 4.005 -1.995 1.00 0.00 C ATOM 0 H LEU A 42 -7.724 6.814 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.519 6.908 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.626 6.016 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.720 5.694 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.203 4.666 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.296 2.516 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.063 3.799 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.828 3.281 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.673 3.064 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.297 3.851 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.173 4.747 -2.184 1.00 0.00 H new ATOM 725 N ASN A 43 -8.060 8.383 -0.322 1.00 0.00 N ATOM 726 CA ASN A 43 -7.547 9.526 0.425 1.00 0.00 C ATOM 727 C ASN A 43 -6.355 9.122 1.287 1.00 0.00 C ATOM 728 O ASN A 43 -6.244 7.973 1.713 1.00 0.00 O ATOM 729 CB ASN A 43 -8.648 10.121 1.305 1.00 0.00 C ATOM 730 CG ASN A 43 -9.895 10.471 0.515 1.00 0.00 C ATOM 731 OD1 ASN A 43 -9.820 11.123 -0.526 1.00 0.00 O ATOM 732 ND2 ASN A 43 -11.049 10.037 1.008 1.00 0.00 N ATOM 0 H ASN A 43 -8.527 7.680 0.251 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.216 10.278 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.906 9.410 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.271 11.017 1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.921 10.241 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.063 9.499 1.875 1.00 0.00 H new ATOM 739 N ARG A 44 -5.465 10.077 1.540 1.00 0.00 N ATOM 740 CA ARG A 44 -4.280 9.821 2.350 1.00 0.00 C ATOM 741 C ARG A 44 -4.581 10.020 3.832 1.00 0.00 C ATOM 742 O ARG A 44 -5.337 10.910 4.223 1.00 0.00 O ATOM 743 CB ARG A 44 -3.136 10.742 1.923 1.00 0.00 C ATOM 744 CG ARG A 44 -1.938 10.700 2.858 1.00 0.00 C ATOM 745 CD ARG A 44 -1.172 12.013 2.841 1.00 0.00 C ATOM 746 NE ARG A 44 -0.463 12.250 4.096 1.00 0.00 N ATOM 747 CZ ARG A 44 -0.080 13.453 4.508 1.00 0.00 C ATOM 748 NH1 ARG A 44 -0.337 14.523 3.769 1.00 0.00 N ATOM 749 NH2 ARG A 44 0.560 13.587 5.662 1.00 0.00 N ATOM 0 H ARG A 44 -5.542 11.034 1.196 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.981 8.785 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.813 10.465 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.507 11.766 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.274 10.487 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.274 9.887 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.458 12.005 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.864 12.834 2.655 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.250 11.447 4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.830 14.424 2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.042 15.446 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.758 12.766 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.854 14.511 5.978 1.00 0.00 H new ATOM 763 N PRO A 45 -3.978 9.172 4.678 1.00 0.00 N ATOM 764 CA PRO A 45 -4.167 9.235 6.131 1.00 0.00 C ATOM 765 C PRO A 45 -3.515 10.468 6.747 1.00 0.00 C ATOM 766 O PRO A 45 -2.306 10.667 6.629 1.00 0.00 O ATOM 767 CB PRO A 45 -3.482 7.961 6.632 1.00 0.00 C ATOM 768 CG PRO A 45 -2.470 7.638 5.588 1.00 0.00 C ATOM 769 CD PRO A 45 -3.065 8.087 4.282 1.00 0.00 C ATOM 0 HA PRO A 45 -5.220 9.305 6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.012 8.120 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.198 7.148 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.529 8.151 5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.253 6.570 5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.299 8.439 3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.596 7.277 3.783 1.00 0.00 H new ATOM 777 N SER A 46 -4.323 11.292 7.406 1.00 0.00 N ATOM 778 CA SER A 46 -3.826 12.508 8.039 1.00 0.00 C ATOM 779 C SER A 46 -4.782 12.985 9.127 1.00 0.00 C ATOM 780 O SER A 46 -5.971 13.186 8.880 1.00 0.00 O ATOM 781 CB SER A 46 -3.633 13.609 6.995 1.00 0.00 C ATOM 782 OG SER A 46 -2.780 13.176 5.948 1.00 0.00 O ATOM 0 H SER A 46 -5.326 11.140 7.516 1.00 0.00 H new ATOM 0 HA SER A 46 -2.865 12.281 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.600 13.898 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.211 14.495 7.470 1.00 0.00 H new ATOM 0 HG SER A 46 -2.318 12.356 6.221 1.00 0.00 H new ATOM 788 N GLY A 47 -4.254 13.164 10.334 1.00 0.00 N ATOM 789 CA GLY A 47 -5.074 13.615 11.443 1.00 0.00 C ATOM 790 C GLY A 47 -5.641 12.465 12.251 1.00 0.00 C ATOM 791 O GLY A 47 -5.124 11.348 12.228 1.00 0.00 O ATOM 0 H GLY A 47 -3.273 13.005 10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.478 14.254 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.893 14.225 11.061 1.00 0.00 H new ATOM 795 N PRO A 48 -6.729 12.734 12.988 1.00 0.00 N ATOM 796 CA PRO A 48 -7.390 11.726 13.822 1.00 0.00 C ATOM 797 C PRO A 48 -8.096 10.659 12.991 1.00 0.00 C ATOM 798 O PRO A 48 -8.354 9.556 13.471 1.00 0.00 O ATOM 799 CB PRO A 48 -8.408 12.540 14.623 1.00 0.00 C ATOM 800 CG PRO A 48 -8.684 13.737 13.780 1.00 0.00 C ATOM 801 CD PRO A 48 -7.398 14.044 13.064 1.00 0.00 C ATOM 0 HA PRO A 48 -6.679 11.180 14.442 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.317 11.967 14.806 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.009 12.825 15.597 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.488 13.538 13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.001 14.581 14.392 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.579 14.461 12.073 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.797 14.771 13.611 1.00 0.00 H new ATOM 809 N SER A 49 -8.405 10.996 11.743 1.00 0.00 N ATOM 810 CA SER A 49 -9.085 10.068 10.847 1.00 0.00 C ATOM 811 C SER A 49 -8.217 8.843 10.575 1.00 0.00 C ATOM 812 O SER A 49 -7.133 8.698 11.139 1.00 0.00 O ATOM 813 CB SER A 49 -9.434 10.762 9.529 1.00 0.00 C ATOM 814 OG SER A 49 -10.244 11.903 9.753 1.00 0.00 O ATOM 0 H SER A 49 -8.195 11.905 11.329 1.00 0.00 H new ATOM 0 HA SER A 49 -10.005 9.741 11.332 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.519 11.057 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.956 10.064 8.874 1.00 0.00 H new ATOM 0 HG SER A 49 -10.452 12.330 8.896 1.00 0.00 H new ATOM 820 N SER A 50 -8.704 7.962 9.706 1.00 0.00 N ATOM 821 CA SER A 50 -7.977 6.747 9.361 1.00 0.00 C ATOM 822 C SER A 50 -8.202 6.376 7.898 1.00 0.00 C ATOM 823 O SER A 50 -9.313 6.487 7.382 1.00 0.00 O ATOM 824 CB SER A 50 -8.413 5.592 10.264 1.00 0.00 C ATOM 825 OG SER A 50 -7.991 5.802 11.601 1.00 0.00 O ATOM 0 H SER A 50 -9.599 8.068 9.228 1.00 0.00 H new ATOM 0 HA SER A 50 -6.914 6.935 9.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.498 5.492 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.996 4.657 9.890 1.00 0.00 H new ATOM 0 HG SER A 50 -8.284 5.051 12.158 1.00 0.00 H new ATOM 831 N GLY A 51 -7.137 5.934 7.235 1.00 0.00 N ATOM 832 CA GLY A 51 -7.237 5.554 5.839 1.00 0.00 C ATOM 833 C GLY A 51 -7.983 4.248 5.646 1.00 0.00 C ATOM 834 O GLY A 51 -7.891 3.345 6.476 1.00 0.00 O ATOM 0 H GLY A 51 -6.207 5.833 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.745 6.344 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.236 5.463 5.418 1.00 0.00 H new TER 838 GLY A 51