USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 709 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 5 GLN : amide:sc= 0.00895 K(o=0.66,f=-7!) USER MOD Set 1.2: A 72 THR OG1 : rot 30:sc= 0.649 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0552 (180deg=-0.409) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0371 (180deg=-0.388) USER MOD Single : A 3 GLN : amide:sc= -0.255 K(o=-0.26,f=-0.99) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -107:sc= 0.00807 USER MOD Single : A 12 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.632 K(o=-0.63,f=-4.6!) USER MOD Single : A 32 TYR OH : rot 165:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 38 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 42 GLN : amide:sc= -0.0162 K(o=-0.016,f=-0.76) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 160:sc= 0.0217 USER MOD Single : A 48 ASN : amide:sc= -0.121 K(o=-0.12,f=-3.2!) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= -0.0225 (180deg=-0.511) USER MOD Single : A 51 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 80 HIS : no HD1:sc=-0.00549 X(o=-0.0055,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.605 11.345 -17.691 1.00 31.35 N ATOM 2 CA MET A 1 2.074 11.500 -17.767 1.00 11.42 C ATOM 3 C MET A 1 2.760 10.384 -16.944 1.00 33.51 C ATOM 4 O MET A 1 3.423 9.499 -17.509 1.00 43.33 O ATOM 5 CB MET A 1 2.479 12.919 -17.276 1.00 64.32 C ATOM 6 CG MET A 1 1.859 14.077 -18.077 1.00 32.45 C ATOM 7 SD MET A 1 2.233 15.701 -17.372 1.00 1.22 S ATOM 8 CE MET A 1 1.366 15.644 -15.797 1.00 61.51 C ATOM 0 H1 MET A 1 0.158 11.894 -18.453 1.00 31.35 H new ATOM 0 H2 MET A 1 0.356 10.341 -17.796 1.00 31.35 H new ATOM 0 H3 MET A 1 0.267 11.691 -16.770 1.00 31.35 H new ATOM 0 HA MET A 1 2.407 11.401 -18.800 1.00 11.42 H new ATOM 0 HB2 MET A 1 2.190 13.023 -16.230 1.00 64.32 H new ATOM 0 HB3 MET A 1 3.565 13.007 -17.317 1.00 64.32 H new ATOM 0 HG2 MET A 1 2.225 14.039 -19.103 1.00 32.45 H new ATOM 0 HG3 MET A 1 0.778 13.945 -18.119 1.00 32.45 H new ATOM 0 HE1 MET A 1 1.241 16.657 -15.414 1.00 61.51 H new ATOM 0 HE2 MET A 1 0.387 15.185 -15.937 1.00 61.51 H new ATOM 0 HE3 MET A 1 1.944 15.056 -15.085 1.00 61.51 H new ATOM 20 N GLY A 2 2.571 10.433 -15.609 1.00 63.21 N ATOM 21 CA GLY A 2 3.068 9.408 -14.682 1.00 23.34 C ATOM 22 C GLY A 2 1.928 8.808 -13.862 1.00 32.32 C ATOM 23 O GLY A 2 1.177 9.552 -13.210 1.00 51.11 O ATOM 0 H GLY A 2 2.067 11.190 -15.147 1.00 63.21 H new ATOM 0 HA2 GLY A 2 3.571 8.620 -15.242 1.00 23.34 H new ATOM 0 HA3 GLY A 2 3.809 9.846 -14.014 1.00 23.34 H new ATOM 27 N GLN A 3 1.775 7.468 -13.924 1.00 52.12 N ATOM 28 CA GLN A 3 0.786 6.723 -13.119 1.00 43.52 C ATOM 29 C GLN A 3 1.256 6.659 -11.655 1.00 70.24 C ATOM 30 O GLN A 3 2.434 6.427 -11.389 1.00 30.05 O ATOM 31 CB GLN A 3 0.586 5.286 -13.689 1.00 61.14 C ATOM 32 CG GLN A 3 -0.407 4.401 -12.887 1.00 44.51 C ATOM 33 CD GLN A 3 -0.545 2.968 -13.416 1.00 35.41 C ATOM 34 OE1 GLN A 3 0.386 2.409 -13.995 1.00 4.53 O ATOM 35 NE2 GLN A 3 -1.694 2.353 -13.182 1.00 41.40 N ATOM 0 H GLN A 3 2.335 6.873 -14.534 1.00 52.12 H new ATOM 0 HA GLN A 3 -0.171 7.242 -13.165 1.00 43.52 H new ATOM 0 HB2 GLN A 3 0.233 5.364 -14.717 1.00 61.14 H new ATOM 0 HB3 GLN A 3 1.553 4.785 -13.721 1.00 61.14 H new ATOM 0 HG2 GLN A 3 -0.082 4.362 -11.847 1.00 44.51 H new ATOM 0 HG3 GLN A 3 -1.388 4.876 -12.897 1.00 44.51 H new ATOM 0 HE21 GLN A 3 -2.446 2.844 -12.699 1.00 41.40 H new ATOM 0 HE22 GLN A 3 -1.827 1.388 -13.484 1.00 41.40 H new ATOM 44 N TRP A 4 0.323 6.849 -10.720 1.00 63.32 N ATOM 45 CA TRP A 4 0.622 6.874 -9.284 1.00 11.34 C ATOM 46 C TRP A 4 0.776 5.442 -8.744 1.00 72.42 C ATOM 47 O TRP A 4 -0.174 4.645 -8.794 1.00 14.30 O ATOM 48 CB TRP A 4 -0.493 7.633 -8.544 1.00 35.21 C ATOM 49 CG TRP A 4 -0.691 9.041 -9.057 1.00 55.41 C ATOM 50 CD1 TRP A 4 0.132 10.112 -8.844 1.00 52.33 C ATOM 51 CD2 TRP A 4 -1.766 9.522 -9.880 1.00 61.15 C ATOM 52 NE1 TRP A 4 -0.363 11.217 -9.482 1.00 25.52 N ATOM 53 CE2 TRP A 4 -1.528 10.886 -10.113 1.00 43.33 C ATOM 54 CE3 TRP A 4 -2.912 8.939 -10.431 1.00 53.12 C ATOM 55 CZ2 TRP A 4 -2.374 11.671 -10.879 1.00 1.31 C ATOM 56 CZ3 TRP A 4 -3.755 9.726 -11.192 1.00 32.22 C ATOM 57 CH2 TRP A 4 -3.485 11.081 -11.404 1.00 52.32 C ATOM 0 H TRP A 4 -0.664 6.990 -10.936 1.00 63.32 H new ATOM 0 HA TRP A 4 1.566 7.392 -9.117 1.00 11.34 H new ATOM 0 HB2 TRP A 4 -1.428 7.081 -8.643 1.00 35.21 H new ATOM 0 HB3 TRP A 4 -0.256 7.670 -7.481 1.00 35.21 H new ATOM 0 HD1 TRP A 4 1.039 10.089 -8.258 1.00 52.33 H new ATOM 0 HE1 TRP A 4 0.069 12.141 -9.486 1.00 25.52 H new ATOM 0 HE3 TRP A 4 -3.133 7.895 -10.265 1.00 53.12 H new ATOM 0 HZ2 TRP A 4 -2.161 12.715 -11.054 1.00 1.31 H new ATOM 0 HZ3 TRP A 4 -4.638 9.286 -11.631 1.00 32.22 H new ATOM 0 HH2 TRP A 4 -4.169 11.672 -11.995 1.00 52.32 H new ATOM 68 N GLN A 5 1.979 5.133 -8.239 1.00 3.15 N ATOM 69 CA GLN A 5 2.344 3.797 -7.738 1.00 2.14 C ATOM 70 C GLN A 5 2.984 3.935 -6.346 1.00 53.40 C ATOM 71 O GLN A 5 4.091 4.439 -6.221 1.00 61.02 O ATOM 72 CB GLN A 5 3.327 3.141 -8.751 1.00 53.24 C ATOM 73 CG GLN A 5 3.922 1.787 -8.330 1.00 52.40 C ATOM 74 CD GLN A 5 4.792 1.174 -9.433 1.00 73.23 C ATOM 75 OE1 GLN A 5 4.321 0.397 -10.260 1.00 24.52 O ATOM 76 NE2 GLN A 5 6.060 1.546 -9.474 1.00 74.32 N ATOM 0 H GLN A 5 2.737 5.812 -8.165 1.00 3.15 H new ATOM 0 HA GLN A 5 1.463 3.163 -7.643 1.00 2.14 H new ATOM 0 HB2 GLN A 5 2.806 3.008 -9.699 1.00 53.24 H new ATOM 0 HB3 GLN A 5 4.147 3.835 -8.933 1.00 53.24 H new ATOM 0 HG2 GLN A 5 4.520 1.918 -7.428 1.00 52.40 H new ATOM 0 HG3 GLN A 5 3.115 1.098 -8.080 1.00 52.40 H new ATOM 0 HE21 GLN A 5 6.425 2.193 -8.774 1.00 74.32 H new ATOM 0 HE22 GLN A 5 6.674 1.186 -10.205 1.00 74.32 H new ATOM 85 N ILE A 6 2.269 3.478 -5.311 1.00 20.53 N ATOM 86 CA ILE A 6 2.699 3.572 -3.905 1.00 75.14 C ATOM 87 C ILE A 6 3.118 2.185 -3.414 1.00 1.33 C ATOM 88 O ILE A 6 2.294 1.270 -3.370 1.00 63.25 O ATOM 89 CB ILE A 6 1.541 4.133 -3.001 1.00 13.40 C ATOM 90 CG1 ILE A 6 1.069 5.518 -3.537 1.00 12.31 C ATOM 91 CG2 ILE A 6 1.968 4.222 -1.511 1.00 12.45 C ATOM 92 CD1 ILE A 6 -0.070 6.125 -2.766 1.00 50.11 C ATOM 0 H ILE A 6 1.362 3.026 -5.425 1.00 20.53 H new ATOM 0 HA ILE A 6 3.543 4.259 -3.840 1.00 75.14 H new ATOM 0 HB ILE A 6 0.704 3.437 -3.049 1.00 13.40 H new ATOM 0 HG12 ILE A 6 1.913 6.208 -3.519 1.00 12.31 H new ATOM 0 HG13 ILE A 6 0.769 5.408 -4.579 1.00 12.31 H new ATOM 0 HG21 ILE A 6 1.141 4.614 -0.918 1.00 12.45 H new ATOM 0 HG22 ILE A 6 2.235 3.229 -1.149 1.00 12.45 H new ATOM 0 HG23 ILE A 6 2.828 4.886 -1.418 1.00 12.45 H new ATOM 0 HD11 ILE A 6 -0.335 7.087 -3.205 1.00 50.11 H new ATOM 0 HD12 ILE A 6 -0.932 5.458 -2.804 1.00 50.11 H new ATOM 0 HD13 ILE A 6 0.230 6.271 -1.728 1.00 50.11 H new ATOM 104 N LYS A 7 4.399 2.037 -3.067 1.00 30.41 N ATOM 105 CA LYS A 7 4.959 0.774 -2.584 1.00 1.32 C ATOM 106 C LYS A 7 5.154 0.842 -1.063 1.00 5.42 C ATOM 107 O LYS A 7 5.915 1.677 -0.562 1.00 32.12 O ATOM 108 CB LYS A 7 6.286 0.465 -3.309 1.00 53.31 C ATOM 109 CG LYS A 7 6.151 0.321 -4.841 1.00 71.23 C ATOM 110 CD LYS A 7 7.486 -0.050 -5.507 1.00 75.31 C ATOM 111 CE LYS A 7 7.382 -0.168 -7.025 1.00 43.52 C ATOM 112 NZ LYS A 7 8.672 -0.604 -7.618 1.00 75.22 N ATOM 0 H LYS A 7 5.080 2.795 -3.114 1.00 30.41 H new ATOM 0 HA LYS A 7 4.265 -0.038 -2.803 1.00 1.32 H new ATOM 0 HB2 LYS A 7 7.000 1.260 -3.091 1.00 53.31 H new ATOM 0 HB3 LYS A 7 6.702 -0.457 -2.904 1.00 53.31 H new ATOM 0 HG2 LYS A 7 5.408 -0.443 -5.069 1.00 71.23 H new ATOM 0 HG3 LYS A 7 5.784 1.257 -5.262 1.00 71.23 H new ATOM 0 HD2 LYS A 7 8.232 0.704 -5.257 1.00 75.31 H new ATOM 0 HD3 LYS A 7 7.839 -0.996 -5.098 1.00 75.31 H new ATOM 0 HE2 LYS A 7 6.600 -0.881 -7.284 1.00 43.52 H new ATOM 0 HE3 LYS A 7 7.090 0.793 -7.448 1.00 43.52 H new ATOM 0 HZ1 LYS A 7 8.573 -0.676 -8.651 1.00 75.22 H new ATOM 0 HZ2 LYS A 7 9.412 0.090 -7.389 1.00 75.22 H new ATOM 0 HZ3 LYS A 7 8.936 -1.532 -7.230 1.00 75.22 H new ATOM 126 N ILE A 8 4.442 -0.032 -0.347 1.00 55.11 N ATOM 127 CA ILE A 8 4.521 -0.150 1.115 1.00 5.22 C ATOM 128 C ILE A 8 5.483 -1.302 1.439 1.00 15.33 C ATOM 129 O ILE A 8 5.145 -2.437 1.215 1.00 70.45 O ATOM 130 CB ILE A 8 3.092 -0.472 1.716 1.00 42.25 C ATOM 131 CG1 ILE A 8 2.038 0.590 1.264 1.00 4.11 C ATOM 132 CG2 ILE A 8 3.138 -0.602 3.264 1.00 4.25 C ATOM 133 CD1 ILE A 8 0.599 0.224 1.583 1.00 65.31 C ATOM 0 H ILE A 8 3.785 -0.687 -0.770 1.00 55.11 H new ATOM 0 HA ILE A 8 4.874 0.786 1.549 1.00 5.22 H new ATOM 0 HB ILE A 8 2.780 -1.439 1.320 1.00 42.25 H new ATOM 0 HG12 ILE A 8 2.272 1.542 1.741 1.00 4.11 H new ATOM 0 HG13 ILE A 8 2.131 0.741 0.189 1.00 4.11 H new ATOM 0 HG21 ILE A 8 2.139 -0.823 3.640 1.00 4.25 H new ATOM 0 HG22 ILE A 8 3.817 -1.408 3.541 1.00 4.25 H new ATOM 0 HG23 ILE A 8 3.490 0.334 3.697 1.00 4.25 H new ATOM 0 HD11 ILE A 8 -0.064 1.016 1.235 1.00 65.31 H new ATOM 0 HD12 ILE A 8 0.342 -0.710 1.083 1.00 65.31 H new ATOM 0 HD13 ILE A 8 0.485 0.103 2.660 1.00 65.31 H new ATOM 145 N TYR A 9 6.683 -0.985 1.905 1.00 45.12 N ATOM 146 CA TYR A 9 7.693 -1.967 2.333 1.00 13.24 C ATOM 147 C TYR A 9 7.588 -2.201 3.852 1.00 75.52 C ATOM 148 O TYR A 9 7.643 -1.247 4.631 1.00 31.52 O ATOM 149 CB TYR A 9 9.114 -1.433 2.001 1.00 33.12 C ATOM 150 CG TYR A 9 9.345 -1.108 0.520 1.00 40.10 C ATOM 151 CD1 TYR A 9 9.065 0.164 -0.002 1.00 52.44 C ATOM 152 CD2 TYR A 9 9.843 -2.069 -0.362 1.00 22.13 C ATOM 153 CE1 TYR A 9 9.272 0.451 -1.339 1.00 41.25 C ATOM 154 CE2 TYR A 9 10.047 -1.780 -1.697 1.00 11.13 C ATOM 155 CZ TYR A 9 9.765 -0.525 -2.180 1.00 62.44 C ATOM 156 OH TYR A 9 9.976 -0.247 -3.514 1.00 33.50 O ATOM 0 H TYR A 9 6.997 -0.019 2.002 1.00 45.12 H new ATOM 0 HA TYR A 9 7.518 -2.905 1.807 1.00 13.24 H new ATOM 0 HB2 TYR A 9 9.296 -0.534 2.589 1.00 33.12 H new ATOM 0 HB3 TYR A 9 9.849 -2.174 2.316 1.00 33.12 H new ATOM 0 HD1 TYR A 9 8.681 0.933 0.652 1.00 52.44 H new ATOM 0 HD2 TYR A 9 10.073 -3.058 0.007 1.00 22.13 H new ATOM 0 HE1 TYR A 9 9.049 1.435 -1.723 1.00 41.25 H new ATOM 0 HE2 TYR A 9 10.428 -2.541 -2.362 1.00 11.13 H new ATOM 0 HH TYR A 9 10.327 -1.044 -3.963 1.00 33.50 H new ATOM 166 N SER A 10 7.381 -3.455 4.259 1.00 24.12 N ATOM 167 CA SER A 10 7.581 -3.888 5.652 1.00 63.20 C ATOM 168 C SER A 10 8.152 -5.311 5.659 1.00 42.24 C ATOM 169 O SER A 10 7.696 -6.178 4.903 1.00 14.15 O ATOM 170 CB SER A 10 6.271 -3.820 6.471 1.00 2.32 C ATOM 171 OG SER A 10 6.492 -4.177 7.833 1.00 5.04 O ATOM 0 H SER A 10 7.070 -4.201 3.637 1.00 24.12 H new ATOM 0 HA SER A 10 8.286 -3.207 6.128 1.00 63.20 H new ATOM 0 HB2 SER A 10 5.859 -2.812 6.419 1.00 2.32 H new ATOM 0 HB3 SER A 10 5.531 -4.489 6.033 1.00 2.32 H new ATOM 0 HG SER A 10 6.113 -5.064 8.004 1.00 5.04 H new ATOM 177 N GLU A 11 9.156 -5.519 6.519 1.00 52.31 N ATOM 178 CA GLU A 11 9.769 -6.837 6.773 1.00 32.24 C ATOM 179 C GLU A 11 8.771 -7.756 7.512 1.00 23.30 C ATOM 180 O GLU A 11 8.796 -8.984 7.361 1.00 0.11 O ATOM 181 CB GLU A 11 11.062 -6.619 7.618 1.00 44.34 C ATOM 182 CG GLU A 11 11.938 -7.872 7.834 1.00 45.01 C ATOM 183 CD GLU A 11 13.298 -7.543 8.483 1.00 33.24 C ATOM 184 OE1 GLU A 11 14.187 -7.008 7.778 1.00 21.04 O ATOM 185 OE2 GLU A 11 13.481 -7.803 9.690 1.00 2.24 O ATOM 0 H GLU A 11 9.575 -4.768 7.068 1.00 52.31 H new ATOM 0 HA GLU A 11 10.027 -7.323 5.832 1.00 32.24 H new ATOM 0 HB2 GLU A 11 11.667 -5.854 7.132 1.00 44.34 H new ATOM 0 HB3 GLU A 11 10.775 -6.226 8.593 1.00 44.34 H new ATOM 0 HG2 GLU A 11 11.401 -8.581 8.464 1.00 45.01 H new ATOM 0 HG3 GLU A 11 12.107 -8.362 6.875 1.00 45.01 H new ATOM 192 N ASN A 12 7.875 -7.117 8.285 1.00 5.12 N ATOM 193 CA ASN A 12 6.926 -7.793 9.182 1.00 61.45 C ATOM 194 C ASN A 12 5.569 -8.047 8.475 1.00 42.23 C ATOM 195 O ASN A 12 4.961 -7.129 7.903 1.00 30.21 O ATOM 196 CB ASN A 12 6.750 -6.925 10.458 1.00 62.52 C ATOM 197 CG ASN A 12 5.829 -7.533 11.531 1.00 35.02 C ATOM 198 OD1 ASN A 12 5.647 -8.747 11.613 1.00 13.15 O ATOM 199 ND2 ASN A 12 5.263 -6.691 12.372 1.00 44.33 N ATOM 0 H ASN A 12 7.790 -6.101 8.303 1.00 5.12 H new ATOM 0 HA ASN A 12 7.318 -8.771 9.462 1.00 61.45 H new ATOM 0 HB2 ASN A 12 7.731 -6.749 10.899 1.00 62.52 H new ATOM 0 HB3 ASN A 12 6.353 -5.953 10.167 1.00 62.52 H new ATOM 0 HD21 ASN A 12 4.657 -7.041 13.114 1.00 44.33 H new ATOM 0 HD22 ASN A 12 5.431 -5.689 12.281 1.00 44.33 H new ATOM 206 N GLU A 13 5.123 -9.313 8.548 1.00 74.43 N ATOM 207 CA GLU A 13 3.846 -9.802 7.970 1.00 64.14 C ATOM 208 C GLU A 13 2.609 -9.179 8.668 1.00 64.55 C ATOM 209 O GLU A 13 1.560 -8.993 8.037 1.00 54.21 O ATOM 210 CB GLU A 13 3.803 -11.356 8.087 1.00 34.35 C ATOM 211 CG GLU A 13 3.971 -11.883 9.531 1.00 31.14 C ATOM 212 CD GLU A 13 3.966 -13.416 9.645 1.00 73.14 C ATOM 213 OE1 GLU A 13 4.975 -14.049 9.265 1.00 4.43 O ATOM 214 OE2 GLU A 13 2.967 -13.990 10.134 1.00 64.14 O ATOM 0 H GLU A 13 5.649 -10.048 9.021 1.00 74.43 H new ATOM 0 HA GLU A 13 3.806 -9.498 6.924 1.00 64.14 H new ATOM 0 HB2 GLU A 13 2.854 -11.714 7.689 1.00 34.35 H new ATOM 0 HB3 GLU A 13 4.590 -11.779 7.463 1.00 34.35 H new ATOM 0 HG2 GLU A 13 4.908 -11.502 9.938 1.00 31.14 H new ATOM 0 HG3 GLU A 13 3.168 -11.481 10.149 1.00 31.14 H new ATOM 221 N ARG A 14 2.762 -8.856 9.974 1.00 71.20 N ATOM 222 CA ARG A 14 1.665 -8.360 10.839 1.00 54.15 C ATOM 223 C ARG A 14 1.096 -7.013 10.340 1.00 13.44 C ATOM 224 O ARG A 14 -0.131 -6.796 10.380 1.00 32.21 O ATOM 225 CB ARG A 14 2.171 -8.238 12.308 1.00 31.41 C ATOM 226 CG ARG A 14 1.159 -7.642 13.319 1.00 61.33 C ATOM 227 CD ARG A 14 -0.135 -8.467 13.443 1.00 72.32 C ATOM 228 NE ARG A 14 -1.103 -7.818 14.340 1.00 22.25 N ATOM 229 CZ ARG A 14 -2.328 -8.278 14.639 1.00 30.53 C ATOM 230 NH1 ARG A 14 -2.792 -9.412 14.120 1.00 42.24 N ATOM 231 NH2 ARG A 14 -3.089 -7.583 15.465 1.00 3.14 N ATOM 0 H ARG A 14 3.655 -8.933 10.460 1.00 71.20 H new ATOM 0 HA ARG A 14 0.849 -9.081 10.797 1.00 54.15 H new ATOM 0 HB2 ARG A 14 2.463 -9.229 12.656 1.00 31.41 H new ATOM 0 HB3 ARG A 14 3.069 -7.620 12.314 1.00 31.41 H new ATOM 0 HG2 ARG A 14 1.633 -7.572 14.298 1.00 61.33 H new ATOM 0 HG3 ARG A 14 0.906 -6.626 13.014 1.00 61.33 H new ATOM 0 HD2 ARG A 14 -0.581 -8.597 12.457 1.00 72.32 H new ATOM 0 HD3 ARG A 14 0.101 -9.462 13.819 1.00 72.32 H new ATOM 0 HE ARG A 14 -0.818 -6.940 14.774 1.00 22.25 H new ATOM 0 HH11 ARG A 14 -2.213 -9.954 13.479 1.00 42.24 H new ATOM 0 HH12 ARG A 14 -3.727 -9.739 14.364 1.00 42.24 H new ATOM 0 HH21 ARG A 14 -2.743 -6.711 15.865 1.00 3.14 H new ATOM 0 HH22 ARG A 14 -4.022 -7.918 15.703 1.00 3.14 H new ATOM 245 N GLU A 15 1.991 -6.132 9.868 1.00 1.44 N ATOM 246 CA GLU A 15 1.614 -4.787 9.387 1.00 11.42 C ATOM 247 C GLU A 15 0.749 -4.931 8.122 1.00 42.23 C ATOM 248 O GLU A 15 -0.314 -4.317 7.997 1.00 70.30 O ATOM 249 CB GLU A 15 2.889 -3.934 9.085 1.00 44.43 C ATOM 250 CG GLU A 15 4.059 -4.092 10.087 1.00 4.23 C ATOM 251 CD GLU A 15 3.703 -3.784 11.555 1.00 4.12 C ATOM 252 OE1 GLU A 15 3.200 -4.683 12.264 1.00 34.12 O ATOM 253 OE2 GLU A 15 3.965 -2.659 12.024 1.00 31.52 O ATOM 0 H GLU A 15 2.991 -6.326 9.808 1.00 1.44 H new ATOM 0 HA GLU A 15 1.043 -4.273 10.160 1.00 11.42 H new ATOM 0 HB2 GLU A 15 3.250 -4.195 8.090 1.00 44.43 H new ATOM 0 HB3 GLU A 15 2.601 -2.883 9.055 1.00 44.43 H new ATOM 0 HG2 GLU A 15 4.435 -5.113 10.026 1.00 4.23 H new ATOM 0 HG3 GLU A 15 4.872 -3.434 9.780 1.00 4.23 H new ATOM 260 N PHE A 16 1.222 -5.812 7.212 1.00 1.03 N ATOM 261 CA PHE A 16 0.567 -6.100 5.922 1.00 72.23 C ATOM 262 C PHE A 16 -0.819 -6.711 6.094 1.00 52.31 C ATOM 263 O PHE A 16 -1.694 -6.405 5.301 1.00 31.00 O ATOM 264 CB PHE A 16 1.461 -7.027 5.043 1.00 23.51 C ATOM 265 CG PHE A 16 2.426 -6.273 4.150 1.00 65.11 C ATOM 266 CD1 PHE A 16 3.203 -5.228 4.651 1.00 12.12 C ATOM 267 CD2 PHE A 16 2.531 -6.587 2.800 1.00 31.15 C ATOM 268 CE1 PHE A 16 4.059 -4.539 3.827 1.00 62.15 C ATOM 269 CE2 PHE A 16 3.386 -5.897 1.987 1.00 45.35 C ATOM 270 CZ PHE A 16 4.144 -4.877 2.501 1.00 43.23 C ATOM 0 H PHE A 16 2.078 -6.347 7.357 1.00 1.03 H new ATOM 0 HA PHE A 16 0.438 -5.143 5.416 1.00 72.23 H new ATOM 0 HB2 PHE A 16 2.027 -7.694 5.693 1.00 23.51 H new ATOM 0 HB3 PHE A 16 0.820 -7.654 4.423 1.00 23.51 H new ATOM 0 HD1 PHE A 16 3.131 -4.959 5.694 1.00 12.12 H new ATOM 0 HD2 PHE A 16 1.930 -7.385 2.389 1.00 31.15 H new ATOM 0 HE1 PHE A 16 4.662 -3.735 4.222 1.00 62.15 H new ATOM 0 HE2 PHE A 16 3.464 -6.155 0.941 1.00 45.35 H new ATOM 0 HZ PHE A 16 4.816 -4.333 1.854 1.00 43.23 H new ATOM 280 N ARG A 17 -0.996 -7.566 7.126 1.00 15.43 N ATOM 281 CA ARG A 17 -2.297 -8.212 7.435 1.00 22.55 C ATOM 282 C ARG A 17 -3.457 -7.201 7.380 1.00 72.42 C ATOM 283 O ARG A 17 -4.412 -7.372 6.618 1.00 65.44 O ATOM 284 CB ARG A 17 -2.274 -8.891 8.842 1.00 50.32 C ATOM 285 CG ARG A 17 -1.678 -10.309 8.868 1.00 23.12 C ATOM 286 CD ARG A 17 -2.465 -11.298 7.977 1.00 43.30 C ATOM 287 NE ARG A 17 -3.930 -11.215 8.175 1.00 2.42 N ATOM 288 CZ ARG A 17 -4.828 -12.106 7.723 1.00 14.10 C ATOM 289 NH1 ARG A 17 -4.450 -13.186 7.035 1.00 75.41 N ATOM 290 NH2 ARG A 17 -6.119 -11.885 7.923 1.00 45.14 N ATOM 0 H ARG A 17 -0.247 -7.828 7.767 1.00 15.43 H new ATOM 0 HA ARG A 17 -2.456 -8.975 6.673 1.00 22.55 H new ATOM 0 HB2 ARG A 17 -1.704 -8.261 9.524 1.00 50.32 H new ATOM 0 HB3 ARG A 17 -3.294 -8.934 9.225 1.00 50.32 H new ATOM 0 HG2 ARG A 17 -0.641 -10.270 8.534 1.00 23.12 H new ATOM 0 HG3 ARG A 17 -1.669 -10.677 9.894 1.00 23.12 H new ATOM 0 HD2 ARG A 17 -2.233 -11.099 6.931 1.00 43.30 H new ATOM 0 HD3 ARG A 17 -2.132 -12.314 8.190 1.00 43.30 H new ATOM 0 HE ARG A 17 -4.287 -10.415 8.698 1.00 2.42 H new ATOM 0 HH11 ARG A 17 -3.461 -13.348 6.843 1.00 75.41 H new ATOM 0 HH12 ARG A 17 -5.150 -13.849 6.702 1.00 75.41 H new ATOM 0 HH21 ARG A 17 -6.422 -11.045 8.416 1.00 45.14 H new ATOM 0 HH22 ARG A 17 -6.810 -12.555 7.584 1.00 45.14 H new ATOM 304 N GLU A 18 -3.282 -6.117 8.142 1.00 52.10 N ATOM 305 CA GLU A 18 -4.277 -5.049 8.301 1.00 35.10 C ATOM 306 C GLU A 18 -4.519 -4.310 6.975 1.00 51.04 C ATOM 307 O GLU A 18 -5.665 -4.022 6.638 1.00 22.44 O ATOM 308 CB GLU A 18 -3.793 -4.081 9.407 1.00 35.15 C ATOM 309 CG GLU A 18 -3.530 -4.788 10.749 1.00 14.42 C ATOM 310 CD GLU A 18 -2.788 -3.891 11.736 1.00 32.11 C ATOM 311 OE1 GLU A 18 -1.548 -3.761 11.616 1.00 0.25 O ATOM 312 OE2 GLU A 18 -3.429 -3.307 12.637 1.00 11.34 O ATOM 0 H GLU A 18 -2.429 -5.953 8.676 1.00 52.10 H new ATOM 0 HA GLU A 18 -5.232 -5.484 8.595 1.00 35.10 H new ATOM 0 HB2 GLU A 18 -2.879 -3.588 9.077 1.00 35.15 H new ATOM 0 HB3 GLU A 18 -4.541 -3.301 9.553 1.00 35.15 H new ATOM 0 HG2 GLU A 18 -4.479 -5.100 11.186 1.00 14.42 H new ATOM 0 HG3 GLU A 18 -2.948 -5.692 10.574 1.00 14.42 H new ATOM 319 N LEU A 19 -3.429 -4.060 6.215 1.00 54.34 N ATOM 320 CA LEU A 19 -3.493 -3.332 4.922 1.00 43.33 C ATOM 321 C LEU A 19 -4.196 -4.160 3.835 1.00 14.12 C ATOM 322 O LEU A 19 -4.939 -3.608 3.030 1.00 2.15 O ATOM 323 CB LEU A 19 -2.082 -2.866 4.433 1.00 45.12 C ATOM 324 CG LEU A 19 -1.549 -1.535 5.062 1.00 22.53 C ATOM 325 CD1 LEU A 19 -2.538 -0.359 4.821 1.00 41.30 C ATOM 326 CD2 LEU A 19 -1.220 -1.698 6.562 1.00 73.21 C ATOM 0 H LEU A 19 -2.487 -4.353 6.475 1.00 54.34 H new ATOM 0 HA LEU A 19 -4.089 -2.438 5.105 1.00 43.33 H new ATOM 0 HB2 LEU A 19 -1.365 -3.659 4.645 1.00 45.12 H new ATOM 0 HB3 LEU A 19 -2.115 -2.747 3.350 1.00 45.12 H new ATOM 0 HG LEU A 19 -0.616 -1.291 4.555 1.00 22.53 H new ATOM 0 HD11 LEU A 19 -2.138 0.550 5.270 1.00 41.30 H new ATOM 0 HD12 LEU A 19 -2.669 -0.207 3.750 1.00 41.30 H new ATOM 0 HD13 LEU A 19 -3.501 -0.595 5.274 1.00 41.30 H new ATOM 0 HD21 LEU A 19 -0.853 -0.751 6.959 1.00 73.21 H new ATOM 0 HD22 LEU A 19 -2.120 -1.994 7.102 1.00 73.21 H new ATOM 0 HD23 LEU A 19 -0.454 -2.464 6.685 1.00 73.21 H new ATOM 338 N ILE A 20 -3.964 -5.479 3.828 1.00 54.44 N ATOM 339 CA ILE A 20 -4.633 -6.413 2.893 1.00 43.32 C ATOM 340 C ILE A 20 -6.151 -6.421 3.191 1.00 63.41 C ATOM 341 O ILE A 20 -6.980 -6.305 2.282 1.00 45.23 O ATOM 342 CB ILE A 20 -4.036 -7.880 3.006 1.00 24.12 C ATOM 343 CG1 ILE A 20 -2.499 -7.889 2.716 1.00 42.52 C ATOM 344 CG2 ILE A 20 -4.770 -8.886 2.084 1.00 21.42 C ATOM 345 CD1 ILE A 20 -2.081 -7.369 1.358 1.00 12.34 C ATOM 0 H ILE A 20 -3.311 -5.934 4.465 1.00 54.44 H new ATOM 0 HA ILE A 20 -4.458 -6.073 1.872 1.00 43.32 H new ATOM 0 HB ILE A 20 -4.197 -8.205 4.034 1.00 24.12 H new ATOM 0 HG12 ILE A 20 -2.001 -7.293 3.481 1.00 42.52 H new ATOM 0 HG13 ILE A 20 -2.135 -8.911 2.820 1.00 42.52 H new ATOM 0 HG21 ILE A 20 -4.325 -9.875 2.197 1.00 21.42 H new ATOM 0 HG22 ILE A 20 -5.824 -8.929 2.358 1.00 21.42 H new ATOM 0 HG23 ILE A 20 -4.678 -8.563 1.047 1.00 21.42 H new ATOM 0 HD11 ILE A 20 -0.996 -7.422 1.266 1.00 12.34 H new ATOM 0 HD12 ILE A 20 -2.541 -7.976 0.578 1.00 12.34 H new ATOM 0 HD13 ILE A 20 -2.405 -6.334 1.249 1.00 12.34 H new ATOM 357 N GLU A 21 -6.471 -6.473 4.497 1.00 42.43 N ATOM 358 CA GLU A 21 -7.855 -6.456 5.020 1.00 11.33 C ATOM 359 C GLU A 21 -8.524 -5.071 4.837 1.00 52.53 C ATOM 360 O GLU A 21 -9.750 -4.972 4.860 1.00 73.02 O ATOM 361 CB GLU A 21 -7.838 -6.874 6.518 1.00 4.12 C ATOM 362 CG GLU A 21 -7.370 -8.328 6.755 1.00 53.21 C ATOM 363 CD GLU A 21 -7.290 -8.725 8.238 1.00 13.22 C ATOM 364 OE1 GLU A 21 -8.353 -8.880 8.873 1.00 43.12 O ATOM 365 OE2 GLU A 21 -6.171 -8.916 8.772 1.00 61.42 O ATOM 0 H GLU A 21 -5.766 -6.529 5.232 1.00 42.43 H new ATOM 0 HA GLU A 21 -8.452 -7.168 4.450 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -7.183 -6.197 7.067 1.00 4.12 H new ATOM 0 HB3 GLU A 21 -8.840 -6.753 6.931 1.00 4.12 H new ATOM 0 HG2 GLU A 21 -8.053 -9.007 6.244 1.00 53.21 H new ATOM 0 HG3 GLU A 21 -6.388 -8.462 6.300 1.00 53.21 H new ATOM 372 N ARG A 22 -7.703 -4.009 4.683 1.00 73.14 N ATOM 373 CA ARG A 22 -8.186 -2.645 4.367 1.00 62.25 C ATOM 374 C ARG A 22 -8.597 -2.564 2.886 1.00 15.35 C ATOM 375 O ARG A 22 -9.754 -2.260 2.562 1.00 40.30 O ATOM 376 CB ARG A 22 -7.085 -1.565 4.682 1.00 44.02 C ATOM 377 CG ARG A 22 -6.951 -1.168 6.170 1.00 11.42 C ATOM 378 CD ARG A 22 -8.224 -0.510 6.728 1.00 43.03 C ATOM 379 NE ARG A 22 -8.621 0.668 5.923 1.00 33.14 N ATOM 380 CZ ARG A 22 -9.740 0.767 5.175 1.00 2.11 C ATOM 381 NH1 ARG A 22 -10.612 -0.232 5.116 1.00 71.23 N ATOM 382 NH2 ARG A 22 -9.970 1.869 4.471 1.00 31.42 N ATOM 0 H ARG A 22 -6.689 -4.072 4.774 1.00 73.14 H new ATOM 0 HA ARG A 22 -9.053 -2.437 4.994 1.00 62.25 H new ATOM 0 HB2 ARG A 22 -6.122 -1.941 4.336 1.00 44.02 H new ATOM 0 HB3 ARG A 22 -7.304 -0.668 4.103 1.00 44.02 H new ATOM 0 HG2 ARG A 22 -6.718 -2.055 6.759 1.00 11.42 H new ATOM 0 HG3 ARG A 22 -6.112 -0.481 6.284 1.00 11.42 H new ATOM 0 HD2 ARG A 22 -9.037 -1.236 6.738 1.00 43.03 H new ATOM 0 HD3 ARG A 22 -8.056 -0.206 7.761 1.00 43.03 H new ATOM 0 HE ARG A 22 -7.995 1.473 5.935 1.00 33.14 H new ATOM 0 HH11 ARG A 22 -10.441 -1.090 5.641 1.00 71.23 H new ATOM 0 HH12 ARG A 22 -11.453 -0.142 4.546 1.00 71.23 H new ATOM 0 HH21 ARG A 22 -9.301 2.639 4.496 1.00 31.42 H new ATOM 0 HH22 ARG A 22 -10.815 1.946 3.905 1.00 31.42 H new ATOM 396 N LEU A 23 -7.628 -2.910 2.021 1.00 32.13 N ATOM 397 CA LEU A 23 -7.695 -2.724 0.560 1.00 32.11 C ATOM 398 C LEU A 23 -8.870 -3.493 -0.087 1.00 2.41 C ATOM 399 O LEU A 23 -9.610 -2.933 -0.905 1.00 33.44 O ATOM 400 CB LEU A 23 -6.330 -3.147 -0.073 1.00 50.22 C ATOM 401 CG LEU A 23 -5.106 -2.229 0.264 1.00 31.32 C ATOM 402 CD1 LEU A 23 -3.777 -2.868 -0.198 1.00 73.00 C ATOM 403 CD2 LEU A 23 -5.289 -0.800 -0.311 1.00 51.55 C ATOM 0 H LEU A 23 -6.754 -3.338 2.326 1.00 32.13 H new ATOM 0 HA LEU A 23 -7.882 -1.669 0.362 1.00 32.11 H new ATOM 0 HB2 LEU A 23 -6.099 -4.161 0.253 1.00 50.22 H new ATOM 0 HB3 LEU A 23 -6.448 -3.179 -1.156 1.00 50.22 H new ATOM 0 HG LEU A 23 -5.058 -2.133 1.349 1.00 31.32 H new ATOM 0 HD11 LEU A 23 -2.949 -2.205 0.051 1.00 73.00 H new ATOM 0 HD12 LEU A 23 -3.639 -3.825 0.305 1.00 73.00 H new ATOM 0 HD13 LEU A 23 -3.804 -3.025 -1.276 1.00 73.00 H new ATOM 0 HD21 LEU A 23 -4.421 -0.192 -0.057 1.00 51.55 H new ATOM 0 HD22 LEU A 23 -5.390 -0.854 -1.395 1.00 51.55 H new ATOM 0 HD23 LEU A 23 -6.185 -0.348 0.115 1.00 51.55 H new ATOM 415 N GLU A 24 -9.043 -4.764 0.303 1.00 54.54 N ATOM 416 CA GLU A 24 -10.061 -5.663 -0.302 1.00 32.40 C ATOM 417 C GLU A 24 -11.502 -5.191 -0.040 1.00 70.04 C ATOM 418 O GLU A 24 -12.407 -5.482 -0.832 1.00 32.23 O ATOM 419 CB GLU A 24 -9.858 -7.110 0.203 1.00 11.20 C ATOM 420 CG GLU A 24 -8.512 -7.721 -0.222 1.00 0.12 C ATOM 421 CD GLU A 24 -8.312 -9.139 0.316 1.00 33.25 C ATOM 422 OE1 GLU A 24 -8.018 -9.289 1.512 1.00 11.13 O ATOM 423 OE2 GLU A 24 -8.475 -10.115 -0.447 1.00 23.31 O ATOM 0 H GLU A 24 -8.491 -5.204 1.040 1.00 54.54 H new ATOM 0 HA GLU A 24 -9.917 -5.634 -1.382 1.00 32.40 H new ATOM 0 HB2 GLU A 24 -9.926 -7.120 1.291 1.00 11.20 H new ATOM 0 HB3 GLU A 24 -10.668 -7.735 -0.173 1.00 11.20 H new ATOM 0 HG2 GLU A 24 -8.453 -7.738 -1.310 1.00 0.12 H new ATOM 0 HG3 GLU A 24 -7.701 -7.085 0.132 1.00 0.12 H new ATOM 430 N GLU A 25 -11.706 -4.450 1.059 1.00 24.44 N ATOM 431 CA GLU A 25 -13.033 -3.913 1.419 1.00 0.35 C ATOM 432 C GLU A 25 -13.338 -2.614 0.645 1.00 54.44 C ATOM 433 O GLU A 25 -14.503 -2.252 0.469 1.00 14.20 O ATOM 434 CB GLU A 25 -13.120 -3.673 2.952 1.00 12.11 C ATOM 435 CG GLU A 25 -12.710 -4.883 3.823 1.00 75.45 C ATOM 436 CD GLU A 25 -13.515 -6.168 3.550 1.00 24.41 C ATOM 437 OE1 GLU A 25 -14.618 -6.315 4.117 1.00 21.10 O ATOM 438 OE2 GLU A 25 -13.050 -7.041 2.778 1.00 30.32 O ATOM 0 H GLU A 25 -10.967 -4.206 1.719 1.00 24.44 H new ATOM 0 HA GLU A 25 -13.785 -4.650 1.138 1.00 0.35 H new ATOM 0 HB2 GLU A 25 -12.484 -2.826 3.209 1.00 12.11 H new ATOM 0 HB3 GLU A 25 -14.143 -3.392 3.204 1.00 12.11 H new ATOM 0 HG2 GLU A 25 -11.652 -5.090 3.660 1.00 75.45 H new ATOM 0 HG3 GLU A 25 -12.824 -4.614 4.873 1.00 75.45 H new ATOM 445 N GLU A 26 -12.276 -1.942 0.167 1.00 1.14 N ATOM 446 CA GLU A 26 -12.383 -0.642 -0.523 1.00 44.10 C ATOM 447 C GLU A 26 -12.995 -0.777 -1.926 1.00 21.32 C ATOM 448 O GLU A 26 -12.398 -1.378 -2.831 1.00 70.05 O ATOM 449 CB GLU A 26 -11.010 0.080 -0.572 1.00 71.50 C ATOM 450 CG GLU A 26 -10.434 0.417 0.819 1.00 11.54 C ATOM 451 CD GLU A 26 -11.485 1.054 1.751 1.00 12.44 C ATOM 452 OE1 GLU A 26 -11.837 2.227 1.550 1.00 32.44 O ATOM 453 OE2 GLU A 26 -11.991 0.372 2.676 1.00 15.41 O ATOM 0 H GLU A 26 -11.318 -2.284 0.248 1.00 1.14 H new ATOM 0 HA GLU A 26 -13.067 -0.026 0.061 1.00 44.10 H new ATOM 0 HB2 GLU A 26 -10.298 -0.549 -1.107 1.00 71.50 H new ATOM 0 HB3 GLU A 26 -11.115 1.002 -1.145 1.00 71.50 H new ATOM 0 HG2 GLU A 26 -10.047 -0.492 1.279 1.00 11.54 H new ATOM 0 HG3 GLU A 26 -9.592 1.100 0.705 1.00 11.54 H new ATOM 460 N ARG A 27 -14.200 -0.199 -2.073 1.00 53.00 N ATOM 461 CA ARG A 27 -15.009 -0.254 -3.301 1.00 71.13 C ATOM 462 C ARG A 27 -14.586 0.881 -4.281 1.00 63.44 C ATOM 463 O ARG A 27 -14.118 1.930 -3.824 1.00 53.51 O ATOM 464 CB ARG A 27 -16.521 -0.135 -2.925 1.00 31.14 C ATOM 465 CG ARG A 27 -17.015 -1.157 -1.877 1.00 22.24 C ATOM 466 CD ARG A 27 -16.832 -2.618 -2.319 1.00 74.32 C ATOM 467 NE ARG A 27 -17.404 -3.571 -1.347 1.00 74.22 N ATOM 468 CZ ARG A 27 -17.057 -4.866 -1.226 1.00 24.43 C ATOM 469 NH1 ARG A 27 -16.128 -5.408 -2.005 1.00 23.31 N ATOM 470 NH2 ARG A 27 -17.683 -5.628 -0.347 1.00 13.23 N ATOM 0 H ARG A 27 -14.647 0.331 -1.325 1.00 53.00 H new ATOM 0 HA ARG A 27 -14.844 -1.206 -3.805 1.00 71.13 H new ATOM 0 HB2 ARG A 27 -16.708 0.870 -2.547 1.00 31.14 H new ATOM 0 HB3 ARG A 27 -17.116 -0.250 -3.831 1.00 31.14 H new ATOM 0 HG2 ARG A 27 -16.477 -0.997 -0.942 1.00 22.24 H new ATOM 0 HG3 ARG A 27 -18.070 -0.976 -1.672 1.00 22.24 H new ATOM 0 HD2 ARG A 27 -17.305 -2.764 -3.290 1.00 74.32 H new ATOM 0 HD3 ARG A 27 -15.770 -2.827 -2.448 1.00 74.32 H new ATOM 0 HE ARG A 27 -18.122 -3.219 -0.714 1.00 74.22 H new ATOM 0 HH11 ARG A 27 -15.661 -4.841 -2.713 1.00 23.31 H new ATOM 0 HH12 ARG A 27 -15.881 -6.392 -1.896 1.00 23.31 H new ATOM 0 HH21 ARG A 27 -18.423 -5.234 0.234 1.00 13.23 H new ATOM 0 HH22 ARG A 27 -17.426 -6.610 -0.249 1.00 13.23 H new ATOM 484 N PRO A 28 -14.728 0.705 -5.645 1.00 62.51 N ATOM 485 CA PRO A 28 -15.248 -0.538 -6.299 1.00 23.22 C ATOM 486 C PRO A 28 -14.218 -1.697 -6.294 1.00 24.34 C ATOM 487 O PRO A 28 -14.594 -2.873 -6.311 1.00 15.43 O ATOM 488 CB PRO A 28 -15.578 -0.045 -7.729 1.00 32.43 C ATOM 489 CG PRO A 28 -14.601 1.055 -7.994 1.00 4.32 C ATOM 490 CD PRO A 28 -14.394 1.753 -6.661 1.00 32.43 C ATOM 0 HA PRO A 28 -16.105 -0.968 -5.780 1.00 23.22 H new ATOM 0 HB2 PRO A 28 -15.474 -0.849 -8.457 1.00 32.43 H new ATOM 0 HB3 PRO A 28 -16.605 0.315 -7.795 1.00 32.43 H new ATOM 0 HG2 PRO A 28 -13.661 0.659 -8.378 1.00 4.32 H new ATOM 0 HG3 PRO A 28 -14.985 1.748 -8.743 1.00 4.32 H new ATOM 0 HD2 PRO A 28 -13.368 2.104 -6.550 1.00 32.43 H new ATOM 0 HD3 PRO A 28 -15.041 2.625 -6.562 1.00 32.43 H new ATOM 498 N SER A 29 -12.931 -1.325 -6.229 1.00 71.03 N ATOM 499 CA SER A 29 -11.792 -2.250 -6.154 1.00 23.34 C ATOM 500 C SER A 29 -10.502 -1.440 -5.966 1.00 2.42 C ATOM 501 O SER A 29 -10.516 -0.198 -6.005 1.00 62.41 O ATOM 502 CB SER A 29 -11.702 -3.145 -7.428 1.00 72.02 C ATOM 503 OG SER A 29 -11.660 -2.365 -8.620 1.00 45.15 O ATOM 0 H SER A 29 -12.647 -0.345 -6.227 1.00 71.03 H new ATOM 0 HA SER A 29 -11.932 -2.916 -5.303 1.00 23.34 H new ATOM 0 HB2 SER A 29 -10.811 -3.770 -7.371 1.00 72.02 H new ATOM 0 HB3 SER A 29 -12.560 -3.816 -7.462 1.00 72.02 H new ATOM 0 HG SER A 29 -11.602 -2.959 -9.398 1.00 45.15 H new ATOM 509 N VAL A 30 -9.401 -2.153 -5.738 1.00 64.41 N ATOM 510 CA VAL A 30 -8.048 -1.582 -5.731 1.00 33.14 C ATOM 511 C VAL A 30 -7.089 -2.604 -6.369 1.00 62.41 C ATOM 512 O VAL A 30 -7.188 -3.813 -6.097 1.00 12.11 O ATOM 513 CB VAL A 30 -7.594 -1.203 -4.274 1.00 61.12 C ATOM 514 CG1 VAL A 30 -7.684 -2.417 -3.336 1.00 13.32 C ATOM 515 CG2 VAL A 30 -6.182 -0.553 -4.254 1.00 20.30 C ATOM 0 H VAL A 30 -9.419 -3.155 -5.550 1.00 64.41 H new ATOM 0 HA VAL A 30 -8.037 -0.658 -6.309 1.00 33.14 H new ATOM 0 HB VAL A 30 -8.285 -0.448 -3.900 1.00 61.12 H new ATOM 0 HG11 VAL A 30 -7.364 -2.128 -2.335 1.00 13.32 H new ATOM 0 HG12 VAL A 30 -8.714 -2.773 -3.300 1.00 13.32 H new ATOM 0 HG13 VAL A 30 -7.038 -3.212 -3.707 1.00 13.32 H new ATOM 0 HG21 VAL A 30 -5.909 -0.307 -3.228 1.00 20.30 H new ATOM 0 HG22 VAL A 30 -5.454 -1.252 -4.666 1.00 20.30 H new ATOM 0 HG23 VAL A 30 -6.192 0.357 -4.854 1.00 20.30 H new ATOM 525 N GLN A 31 -6.191 -2.127 -7.244 1.00 24.30 N ATOM 526 CA GLN A 31 -5.189 -2.985 -7.895 1.00 71.52 C ATOM 527 C GLN A 31 -3.862 -2.869 -7.131 1.00 64.40 C ATOM 528 O GLN A 31 -3.209 -1.819 -7.160 1.00 23.32 O ATOM 529 CB GLN A 31 -5.040 -2.606 -9.398 1.00 24.44 C ATOM 530 CG GLN A 31 -6.326 -2.773 -10.255 1.00 2.21 C ATOM 531 CD GLN A 31 -6.818 -4.228 -10.425 1.00 1.50 C ATOM 532 OE1 GLN A 31 -6.640 -5.091 -9.566 1.00 61.14 O ATOM 533 NE2 GLN A 31 -7.435 -4.520 -11.556 1.00 33.21 N ATOM 0 H GLN A 31 -6.138 -1.146 -7.518 1.00 24.30 H new ATOM 0 HA GLN A 31 -5.511 -4.026 -7.866 1.00 71.52 H new ATOM 0 HB2 GLN A 31 -4.712 -1.569 -9.463 1.00 24.44 H new ATOM 0 HB3 GLN A 31 -4.251 -3.218 -9.834 1.00 24.44 H new ATOM 0 HG2 GLN A 31 -7.125 -2.187 -9.801 1.00 2.21 H new ATOM 0 HG3 GLN A 31 -6.143 -2.350 -11.243 1.00 2.21 H new ATOM 0 HE21 GLN A 31 -7.577 -3.797 -12.261 1.00 33.21 H new ATOM 0 HE22 GLN A 31 -7.769 -5.469 -11.724 1.00 33.21 H new ATOM 542 N TYR A 32 -3.498 -3.955 -6.424 1.00 71.34 N ATOM 543 CA TYR A 32 -2.289 -4.022 -5.588 1.00 50.53 C ATOM 544 C TYR A 32 -1.636 -5.413 -5.737 1.00 3.14 C ATOM 545 O TYR A 32 -2.316 -6.386 -6.106 1.00 25.05 O ATOM 546 CB TYR A 32 -2.641 -3.724 -4.105 1.00 51.53 C ATOM 547 CG TYR A 32 -3.451 -4.819 -3.382 1.00 4.14 C ATOM 548 CD1 TYR A 32 -4.844 -4.901 -3.492 1.00 42.13 C ATOM 549 CD2 TYR A 32 -2.817 -5.780 -2.584 1.00 11.20 C ATOM 550 CE1 TYR A 32 -5.559 -5.895 -2.837 1.00 33.14 C ATOM 551 CE2 TYR A 32 -3.530 -6.766 -1.935 1.00 35.54 C ATOM 552 CZ TYR A 32 -4.893 -6.822 -2.061 1.00 41.45 C ATOM 553 OH TYR A 32 -5.590 -7.820 -1.420 1.00 31.55 O ATOM 0 H TYR A 32 -4.042 -4.818 -6.418 1.00 71.34 H new ATOM 0 HA TYR A 32 -1.577 -3.266 -5.919 1.00 50.53 H new ATOM 0 HB2 TYR A 32 -1.714 -3.560 -3.556 1.00 51.53 H new ATOM 0 HB3 TYR A 32 -3.205 -2.792 -4.064 1.00 51.53 H new ATOM 0 HD1 TYR A 32 -5.372 -4.179 -4.097 1.00 42.13 H new ATOM 0 HD2 TYR A 32 -1.743 -5.748 -2.474 1.00 11.20 H new ATOM 0 HE1 TYR A 32 -6.634 -5.943 -2.935 1.00 33.14 H new ATOM 0 HE2 TYR A 32 -3.014 -7.494 -1.327 1.00 35.54 H new ATOM 0 HH TYR A 32 -4.967 -8.515 -1.122 1.00 31.55 H new ATOM 563 N THR A 33 -0.323 -5.501 -5.452 1.00 52.42 N ATOM 564 CA THR A 33 0.437 -6.769 -5.512 1.00 12.22 C ATOM 565 C THR A 33 1.448 -6.837 -4.353 1.00 31.51 C ATOM 566 O THR A 33 2.292 -5.948 -4.216 1.00 14.11 O ATOM 567 CB THR A 33 1.188 -6.931 -6.884 1.00 33.23 C ATOM 568 OG1 THR A 33 0.231 -6.923 -7.962 1.00 75.13 O ATOM 569 CG2 THR A 33 2.015 -8.244 -6.947 1.00 73.25 C ATOM 0 H THR A 33 0.242 -4.698 -5.174 1.00 52.42 H new ATOM 0 HA THR A 33 -0.278 -7.587 -5.421 1.00 12.22 H new ATOM 0 HB THR A 33 1.880 -6.094 -6.980 1.00 33.23 H new ATOM 0 HG1 THR A 33 0.700 -7.022 -8.817 1.00 75.13 H new ATOM 0 HG21 THR A 33 2.516 -8.313 -7.913 1.00 73.25 H new ATOM 0 HG22 THR A 33 2.760 -8.243 -6.151 1.00 73.25 H new ATOM 0 HG23 THR A 33 1.351 -9.099 -6.822 1.00 73.25 H new ATOM 577 N GLU A 34 1.344 -7.895 -3.529 1.00 71.51 N ATOM 578 CA GLU A 34 2.294 -8.175 -2.444 1.00 43.33 C ATOM 579 C GLU A 34 3.453 -9.024 -3.004 1.00 21.21 C ATOM 580 O GLU A 34 3.267 -10.193 -3.355 1.00 25.21 O ATOM 581 CB GLU A 34 1.573 -8.921 -1.285 1.00 2.22 C ATOM 582 CG GLU A 34 2.451 -9.202 -0.043 1.00 10.04 C ATOM 583 CD GLU A 34 1.722 -10.061 1.005 1.00 43.04 C ATOM 584 OE1 GLU A 34 1.667 -11.294 0.825 1.00 11.41 O ATOM 585 OE2 GLU A 34 1.188 -9.518 1.998 1.00 41.12 O ATOM 0 H GLU A 34 0.593 -8.582 -3.600 1.00 71.51 H new ATOM 0 HA GLU A 34 2.693 -7.241 -2.047 1.00 43.33 H new ATOM 0 HB2 GLU A 34 0.710 -8.332 -0.975 1.00 2.22 H new ATOM 0 HB3 GLU A 34 1.192 -9.869 -1.664 1.00 2.22 H new ATOM 0 HG2 GLU A 34 3.364 -9.709 -0.354 1.00 10.04 H new ATOM 0 HG3 GLU A 34 2.750 -8.256 0.410 1.00 10.04 H new ATOM 592 N THR A 35 4.633 -8.412 -3.123 1.00 2.20 N ATOM 593 CA THR A 35 5.855 -9.081 -3.574 1.00 40.24 C ATOM 594 C THR A 35 6.765 -9.323 -2.356 1.00 62.23 C ATOM 595 O THR A 35 7.302 -8.379 -1.767 1.00 34.22 O ATOM 596 CB THR A 35 6.580 -8.212 -4.655 1.00 24.10 C ATOM 597 OG1 THR A 35 5.675 -7.957 -5.748 1.00 32.31 O ATOM 598 CG2 THR A 35 7.863 -8.880 -5.190 1.00 74.33 C ATOM 0 H THR A 35 4.768 -7.425 -2.906 1.00 2.20 H new ATOM 0 HA THR A 35 5.609 -10.039 -4.032 1.00 40.24 H new ATOM 0 HB THR A 35 6.878 -7.278 -4.178 1.00 24.10 H new ATOM 0 HG1 THR A 35 6.126 -7.411 -6.426 1.00 32.31 H new ATOM 0 HG21 THR A 35 8.325 -8.234 -5.937 1.00 74.33 H new ATOM 0 HG22 THR A 35 8.560 -9.040 -4.367 1.00 74.33 H new ATOM 0 HG23 THR A 35 7.612 -9.838 -5.645 1.00 74.33 H new ATOM 606 N THR A 36 6.870 -10.597 -1.957 1.00 14.13 N ATOM 607 CA THR A 36 7.755 -11.050 -0.881 1.00 64.43 C ATOM 608 C THR A 36 9.075 -11.537 -1.509 1.00 72.41 C ATOM 609 O THR A 36 9.105 -12.572 -2.193 1.00 33.34 O ATOM 610 CB THR A 36 7.072 -12.193 -0.061 1.00 53.43 C ATOM 611 OG1 THR A 36 5.771 -11.745 0.378 1.00 72.22 O ATOM 612 CG2 THR A 36 7.913 -12.616 1.163 1.00 53.34 C ATOM 0 H THR A 36 6.333 -11.353 -2.381 1.00 14.13 H new ATOM 0 HA THR A 36 7.960 -10.229 -0.194 1.00 64.43 H new ATOM 0 HB THR A 36 6.980 -13.064 -0.710 1.00 53.43 H new ATOM 0 HG1 THR A 36 5.336 -12.457 0.892 1.00 72.22 H new ATOM 0 HG21 THR A 36 7.398 -13.412 1.701 1.00 53.34 H new ATOM 0 HG22 THR A 36 8.887 -12.975 0.829 1.00 53.34 H new ATOM 0 HG23 THR A 36 8.049 -11.760 1.824 1.00 53.34 H new ATOM 620 N ARG A 37 10.144 -10.759 -1.304 1.00 43.22 N ATOM 621 CA ARG A 37 11.457 -10.987 -1.918 1.00 54.11 C ATOM 622 C ARG A 37 12.548 -10.499 -0.950 1.00 41.11 C ATOM 623 O ARG A 37 12.426 -9.404 -0.394 1.00 65.40 O ATOM 624 CB ARG A 37 11.522 -10.217 -3.265 1.00 61.14 C ATOM 625 CG ARG A 37 12.827 -10.385 -4.063 1.00 3.12 C ATOM 626 CD ARG A 37 12.813 -9.568 -5.369 1.00 1.54 C ATOM 627 NE ARG A 37 12.661 -8.121 -5.106 1.00 54.20 N ATOM 628 CZ ARG A 37 11.704 -7.323 -5.619 1.00 2.33 C ATOM 629 NH1 ARG A 37 10.782 -7.800 -6.448 1.00 33.32 N ATOM 630 NH2 ARG A 37 11.681 -6.038 -5.295 1.00 11.12 N ATOM 0 H ARG A 37 10.121 -9.940 -0.697 1.00 43.22 H new ATOM 0 HA ARG A 37 11.614 -12.047 -2.116 1.00 54.11 H new ATOM 0 HB2 ARG A 37 10.690 -10.543 -3.890 1.00 61.14 H new ATOM 0 HB3 ARG A 37 11.374 -9.156 -3.064 1.00 61.14 H new ATOM 0 HG2 ARG A 37 13.671 -10.072 -3.448 1.00 3.12 H new ATOM 0 HG3 ARG A 37 12.976 -11.439 -4.296 1.00 3.12 H new ATOM 0 HD2 ARG A 37 13.738 -9.743 -5.918 1.00 1.54 H new ATOM 0 HD3 ARG A 37 11.996 -9.910 -6.004 1.00 1.54 H new ATOM 0 HE ARG A 37 13.341 -7.688 -4.481 1.00 54.20 H new ATOM 0 HH11 ARG A 37 10.790 -8.787 -6.707 1.00 33.32 H new ATOM 0 HH12 ARG A 37 10.066 -7.180 -6.826 1.00 33.32 H new ATOM 0 HH21 ARG A 37 12.385 -5.659 -4.661 1.00 11.12 H new ATOM 0 HH22 ARG A 37 10.960 -5.428 -5.679 1.00 11.12 H new ATOM 644 N ASN A 38 13.576 -11.345 -0.721 1.00 0.23 N ATOM 645 CA ASN A 38 14.768 -11.035 0.125 1.00 62.13 C ATOM 646 C ASN A 38 14.408 -10.858 1.614 1.00 42.20 C ATOM 647 O ASN A 38 15.222 -10.351 2.399 1.00 61.23 O ATOM 648 CB ASN A 38 15.517 -9.766 -0.393 1.00 72.41 C ATOM 649 CG ASN A 38 15.923 -9.845 -1.863 1.00 50.42 C ATOM 650 OD1 ASN A 38 16.326 -10.897 -2.364 1.00 21.12 O ATOM 651 ND2 ASN A 38 15.775 -8.741 -2.574 1.00 73.32 N ATOM 0 H ASN A 38 13.609 -12.282 -1.123 1.00 0.23 H new ATOM 0 HA ASN A 38 15.429 -11.898 0.044 1.00 62.13 H new ATOM 0 HB2 ASN A 38 14.878 -8.895 -0.249 1.00 72.41 H new ATOM 0 HB3 ASN A 38 16.410 -9.610 0.213 1.00 72.41 H new ATOM 0 HD21 ASN A 38 15.997 -8.742 -3.570 1.00 73.32 H new ATOM 0 HD22 ASN A 38 15.439 -7.888 -2.127 1.00 73.32 H new ATOM 658 N GLY A 39 13.207 -11.324 2.005 1.00 12.10 N ATOM 659 CA GLY A 39 12.723 -11.217 3.385 1.00 72.41 C ATOM 660 C GLY A 39 11.845 -9.993 3.639 1.00 72.21 C ATOM 661 O GLY A 39 11.259 -9.874 4.724 1.00 32.11 O ATOM 0 H GLY A 39 12.551 -11.783 1.373 1.00 12.10 H new ATOM 0 HA2 GLY A 39 12.157 -12.115 3.632 1.00 72.41 H new ATOM 0 HA3 GLY A 39 13.579 -11.184 4.059 1.00 72.41 H new ATOM 665 N ARG A 40 11.753 -9.071 2.652 1.00 23.11 N ATOM 666 CA ARG A 40 10.828 -7.918 2.724 1.00 74.05 C ATOM 667 C ARG A 40 9.565 -8.236 1.926 1.00 32.12 C ATOM 668 O ARG A 40 9.609 -8.972 0.937 1.00 42.10 O ATOM 669 CB ARG A 40 11.469 -6.591 2.197 1.00 31.02 C ATOM 670 CG ARG A 40 11.746 -6.534 0.672 1.00 33.03 C ATOM 671 CD ARG A 40 12.310 -5.182 0.189 1.00 42.15 C ATOM 672 NE ARG A 40 13.650 -4.892 0.734 1.00 10.00 N ATOM 673 CZ ARG A 40 14.498 -3.955 0.267 1.00 65.33 C ATOM 674 NH1 ARG A 40 14.174 -3.190 -0.777 1.00 3.40 N ATOM 675 NH2 ARG A 40 15.670 -3.790 0.866 1.00 42.50 N ATOM 0 H ARG A 40 12.308 -9.104 1.797 1.00 23.11 H new ATOM 0 HA ARG A 40 10.588 -7.757 3.775 1.00 74.05 H new ATOM 0 HB2 ARG A 40 10.811 -5.763 2.459 1.00 31.02 H new ATOM 0 HB3 ARG A 40 12.409 -6.430 2.724 1.00 31.02 H new ATOM 0 HG2 ARG A 40 12.450 -7.324 0.411 1.00 33.03 H new ATOM 0 HG3 ARG A 40 10.820 -6.742 0.136 1.00 33.03 H new ATOM 0 HD2 ARG A 40 12.358 -5.182 -0.900 1.00 42.15 H new ATOM 0 HD3 ARG A 40 11.625 -4.384 0.478 1.00 42.15 H new ATOM 0 HE ARG A 40 13.960 -5.447 1.531 1.00 10.00 H new ATOM 0 HH11 ARG A 40 13.271 -3.309 -1.236 1.00 3.40 H new ATOM 0 HH12 ARG A 40 14.829 -2.486 -1.116 1.00 3.40 H new ATOM 0 HH21 ARG A 40 15.918 -4.368 1.669 1.00 42.50 H new ATOM 0 HH22 ARG A 40 16.323 -3.085 0.524 1.00 42.50 H new ATOM 689 N ARG A 41 8.435 -7.722 2.396 1.00 51.52 N ATOM 690 CA ARG A 41 7.183 -7.689 1.633 1.00 51.04 C ATOM 691 C ARG A 41 6.997 -6.251 1.106 1.00 10.31 C ATOM 692 O ARG A 41 7.407 -5.292 1.784 1.00 72.51 O ATOM 693 CB ARG A 41 5.972 -8.108 2.520 1.00 64.31 C ATOM 694 CG ARG A 41 5.947 -9.576 3.019 1.00 4.41 C ATOM 695 CD ARG A 41 6.981 -9.897 4.118 1.00 22.53 C ATOM 696 NE ARG A 41 6.883 -11.300 4.554 1.00 22.42 N ATOM 697 CZ ARG A 41 7.879 -12.026 5.077 1.00 14.45 C ATOM 698 NH1 ARG A 41 9.090 -11.507 5.255 1.00 12.33 N ATOM 699 NH2 ARG A 41 7.652 -13.279 5.424 1.00 23.32 N ATOM 0 H ARG A 41 8.356 -7.311 3.326 1.00 51.52 H new ATOM 0 HA ARG A 41 7.232 -8.397 0.806 1.00 51.04 H new ATOM 0 HB2 ARG A 41 5.945 -7.453 3.391 1.00 64.31 H new ATOM 0 HB3 ARG A 41 5.058 -7.925 1.955 1.00 64.31 H new ATOM 0 HG2 ARG A 41 4.950 -9.800 3.399 1.00 4.41 H new ATOM 0 HG3 ARG A 41 6.121 -10.238 2.170 1.00 4.41 H new ATOM 0 HD2 ARG A 41 7.985 -9.700 3.743 1.00 22.53 H new ATOM 0 HD3 ARG A 41 6.824 -9.237 4.971 1.00 22.53 H new ATOM 0 HE ARG A 41 5.978 -11.758 4.448 1.00 22.42 H new ATOM 0 HH11 ARG A 41 9.274 -10.539 4.992 1.00 12.33 H new ATOM 0 HH12 ARG A 41 9.835 -12.077 5.655 1.00 12.33 H new ATOM 0 HH21 ARG A 41 6.725 -13.685 5.293 1.00 23.32 H new ATOM 0 HH22 ARG A 41 8.403 -13.842 5.823 1.00 23.32 H new ATOM 713 N GLN A 42 6.396 -6.089 -0.088 1.00 20.04 N ATOM 714 CA GLN A 42 6.033 -4.758 -0.630 1.00 4.40 C ATOM 715 C GLN A 42 4.645 -4.803 -1.294 1.00 51.32 C ATOM 716 O GLN A 42 4.343 -5.737 -2.030 1.00 53.42 O ATOM 717 CB GLN A 42 7.109 -4.231 -1.620 1.00 23.20 C ATOM 718 CG GLN A 42 7.366 -5.119 -2.849 1.00 51.22 C ATOM 719 CD GLN A 42 8.391 -4.530 -3.820 1.00 15.31 C ATOM 720 OE1 GLN A 42 9.593 -4.780 -3.701 1.00 71.22 O ATOM 721 NE2 GLN A 42 7.921 -3.746 -4.780 1.00 55.11 N ATOM 0 H GLN A 42 6.149 -6.866 -0.701 1.00 20.04 H new ATOM 0 HA GLN A 42 5.991 -4.059 0.205 1.00 4.40 H new ATOM 0 HB2 GLN A 42 6.808 -3.242 -1.964 1.00 23.20 H new ATOM 0 HB3 GLN A 42 8.047 -4.108 -1.079 1.00 23.20 H new ATOM 0 HG2 GLN A 42 7.713 -6.097 -2.515 1.00 51.22 H new ATOM 0 HG3 GLN A 42 6.426 -5.277 -3.377 1.00 51.22 H new ATOM 0 HE21 GLN A 42 6.920 -3.563 -4.845 1.00 55.11 H new ATOM 0 HE22 GLN A 42 8.561 -3.325 -5.454 1.00 55.11 H new ATOM 730 N LEU A 43 3.794 -3.796 -1.007 1.00 61.14 N ATOM 731 CA LEU A 43 2.495 -3.624 -1.676 1.00 22.12 C ATOM 732 C LEU A 43 2.640 -2.557 -2.746 1.00 34.35 C ATOM 733 O LEU A 43 2.722 -1.378 -2.432 1.00 74.11 O ATOM 734 CB LEU A 43 1.386 -3.198 -0.657 1.00 4.23 C ATOM 735 CG LEU A 43 0.803 -4.329 0.224 1.00 63.22 C ATOM 736 CD1 LEU A 43 -0.204 -3.785 1.266 1.00 20.30 C ATOM 737 CD2 LEU A 43 0.185 -5.435 -0.648 1.00 71.42 C ATOM 0 H LEU A 43 3.991 -3.082 -0.306 1.00 61.14 H new ATOM 0 HA LEU A 43 2.196 -4.574 -2.120 1.00 22.12 H new ATOM 0 HB2 LEU A 43 1.798 -2.430 -0.002 1.00 4.23 H new ATOM 0 HB3 LEU A 43 0.568 -2.738 -1.212 1.00 4.23 H new ATOM 0 HG LEU A 43 1.625 -4.771 0.787 1.00 63.22 H new ATOM 0 HD11 LEU A 43 -0.590 -4.610 1.864 1.00 20.30 H new ATOM 0 HD12 LEU A 43 0.297 -3.069 1.917 1.00 20.30 H new ATOM 0 HD13 LEU A 43 -1.029 -3.292 0.752 1.00 20.30 H new ATOM 0 HD21 LEU A 43 -0.219 -6.220 -0.008 1.00 71.42 H new ATOM 0 HD22 LEU A 43 -0.616 -5.014 -1.256 1.00 71.42 H new ATOM 0 HD23 LEU A 43 0.951 -5.856 -1.299 1.00 71.42 H new ATOM 749 N THR A 44 2.660 -2.992 -4.001 1.00 32.44 N ATOM 750 CA THR A 44 2.674 -2.103 -5.152 1.00 70.35 C ATOM 751 C THR A 44 1.211 -1.786 -5.510 1.00 51.43 C ATOM 752 O THR A 44 0.518 -2.610 -6.120 1.00 52.34 O ATOM 753 CB THR A 44 3.433 -2.793 -6.336 1.00 5.13 C ATOM 754 OG1 THR A 44 4.743 -3.186 -5.886 1.00 34.42 O ATOM 755 CG2 THR A 44 3.561 -1.881 -7.571 1.00 55.01 C ATOM 0 H THR A 44 2.667 -3.982 -4.248 1.00 32.44 H new ATOM 0 HA THR A 44 3.198 -1.172 -4.935 1.00 70.35 H new ATOM 0 HB THR A 44 2.851 -3.663 -6.641 1.00 5.13 H new ATOM 0 HG1 THR A 44 5.225 -3.620 -6.621 1.00 34.42 H new ATOM 0 HG21 THR A 44 4.095 -2.410 -8.360 1.00 55.01 H new ATOM 0 HG22 THR A 44 2.567 -1.607 -7.926 1.00 55.01 H new ATOM 0 HG23 THR A 44 4.111 -0.979 -7.302 1.00 55.01 H new ATOM 763 N ILE A 45 0.758 -0.593 -5.097 1.00 4.41 N ATOM 764 CA ILE A 45 -0.650 -0.155 -5.202 1.00 63.02 C ATOM 765 C ILE A 45 -0.748 0.962 -6.250 1.00 23.01 C ATOM 766 O ILE A 45 -0.080 1.985 -6.121 1.00 35.54 O ATOM 767 CB ILE A 45 -1.194 0.379 -3.815 1.00 70.30 C ATOM 768 CG1 ILE A 45 -0.992 -0.681 -2.679 1.00 12.22 C ATOM 769 CG2 ILE A 45 -2.683 0.814 -3.914 1.00 14.44 C ATOM 770 CD1 ILE A 45 -1.429 -0.225 -1.301 1.00 60.44 C ATOM 0 H ILE A 45 1.365 0.108 -4.674 1.00 4.41 H new ATOM 0 HA ILE A 45 -1.257 -1.011 -5.497 1.00 63.02 H new ATOM 0 HB ILE A 45 -0.610 1.262 -3.556 1.00 70.30 H new ATOM 0 HG12 ILE A 45 -1.545 -1.583 -2.940 1.00 12.22 H new ATOM 0 HG13 ILE A 45 0.063 -0.954 -2.639 1.00 12.22 H new ATOM 0 HG21 ILE A 45 -3.022 1.175 -2.943 1.00 14.44 H new ATOM 0 HG22 ILE A 45 -2.781 1.611 -4.652 1.00 14.44 H new ATOM 0 HG23 ILE A 45 -3.292 -0.038 -4.217 1.00 14.44 H new ATOM 0 HD11 ILE A 45 -1.252 -1.023 -0.580 1.00 60.44 H new ATOM 0 HD12 ILE A 45 -0.859 0.658 -1.012 1.00 60.44 H new ATOM 0 HD13 ILE A 45 -2.491 0.019 -1.318 1.00 60.44 H new ATOM 782 N ARG A 46 -1.584 0.765 -7.276 1.00 54.41 N ATOM 783 CA ARG A 46 -1.781 1.745 -8.358 1.00 0.32 C ATOM 784 C ARG A 46 -3.277 2.049 -8.507 1.00 74.14 C ATOM 785 O ARG A 46 -4.120 1.136 -8.477 1.00 73.34 O ATOM 786 CB ARG A 46 -1.166 1.224 -9.692 1.00 62.30 C ATOM 787 CG ARG A 46 0.376 1.127 -9.667 1.00 1.32 C ATOM 788 CD ARG A 46 0.980 0.550 -10.955 1.00 34.35 C ATOM 789 NE ARG A 46 0.556 -0.841 -11.183 1.00 11.14 N ATOM 790 CZ ARG A 46 1.370 -1.913 -11.202 1.00 73.41 C ATOM 791 NH1 ARG A 46 2.685 -1.795 -11.012 1.00 33.03 N ATOM 792 NH2 ARG A 46 0.853 -3.107 -11.424 1.00 43.34 N ATOM 0 H ARG A 46 -2.146 -0.080 -7.382 1.00 54.41 H new ATOM 0 HA ARG A 46 -1.264 2.671 -8.105 1.00 0.32 H new ATOM 0 HB2 ARG A 46 -1.580 0.240 -9.913 1.00 62.30 H new ATOM 0 HB3 ARG A 46 -1.467 1.886 -10.504 1.00 62.30 H new ATOM 0 HG2 ARG A 46 0.791 2.120 -9.495 1.00 1.32 H new ATOM 0 HG3 ARG A 46 0.678 0.505 -8.824 1.00 1.32 H new ATOM 0 HD2 ARG A 46 0.681 1.165 -11.804 1.00 34.35 H new ATOM 0 HD3 ARG A 46 2.068 0.594 -10.898 1.00 34.35 H new ATOM 0 HE ARG A 46 -0.438 -1.007 -11.340 1.00 11.14 H new ATOM 0 HH11 ARG A 46 3.096 -0.876 -10.847 1.00 33.03 H new ATOM 0 HH12 ARG A 46 3.279 -2.624 -11.031 1.00 33.03 H new ATOM 0 HH21 ARG A 46 -0.150 -3.208 -11.578 1.00 43.34 H new ATOM 0 HH22 ARG A 46 1.457 -3.929 -11.441 1.00 43.34 H new ATOM 806 N SER A 47 -3.584 3.348 -8.651 1.00 41.50 N ATOM 807 CA SER A 47 -4.943 3.861 -8.854 1.00 14.45 C ATOM 808 C SER A 47 -4.926 4.893 -9.992 1.00 4.20 C ATOM 809 O SER A 47 -3.907 5.571 -10.224 1.00 10.20 O ATOM 810 CB SER A 47 -5.485 4.495 -7.545 1.00 44.02 C ATOM 811 OG SER A 47 -6.796 5.027 -7.712 1.00 24.22 O ATOM 0 H SER A 47 -2.878 4.084 -8.629 1.00 41.50 H new ATOM 0 HA SER A 47 -5.605 3.039 -9.125 1.00 14.45 H new ATOM 0 HB2 SER A 47 -5.497 3.743 -6.756 1.00 44.02 H new ATOM 0 HB3 SER A 47 -4.811 5.288 -7.220 1.00 44.02 H new ATOM 0 HG SER A 47 -7.225 5.120 -6.836 1.00 24.22 H new ATOM 817 N ASN A 48 -6.067 4.991 -10.691 1.00 30.23 N ATOM 818 CA ASN A 48 -6.278 5.937 -11.804 1.00 23.44 C ATOM 819 C ASN A 48 -6.607 7.353 -11.283 1.00 0.02 C ATOM 820 O ASN A 48 -6.569 8.316 -12.049 1.00 44.41 O ATOM 821 CB ASN A 48 -7.416 5.437 -12.753 1.00 71.13 C ATOM 822 CG ASN A 48 -8.743 5.098 -12.049 1.00 21.43 C ATOM 823 OD1 ASN A 48 -8.986 5.451 -10.889 1.00 65.44 O ATOM 824 ND2 ASN A 48 -9.639 4.448 -12.770 1.00 4.34 N ATOM 0 H ASN A 48 -6.882 4.409 -10.499 1.00 30.23 H new ATOM 0 HA ASN A 48 -5.347 5.988 -12.369 1.00 23.44 H new ATOM 0 HB2 ASN A 48 -7.605 6.203 -13.505 1.00 71.13 H new ATOM 0 HB3 ASN A 48 -7.065 4.551 -13.282 1.00 71.13 H new ATOM 0 HD21 ASN A 48 -10.552 4.228 -12.372 1.00 4.34 H new ATOM 0 HD22 ASN A 48 -9.418 4.166 -13.725 1.00 4.34 H new ATOM 831 N ASP A 49 -6.918 7.465 -9.981 1.00 3.01 N ATOM 832 CA ASP A 49 -7.373 8.719 -9.356 1.00 31.12 C ATOM 833 C ASP A 49 -6.336 9.202 -8.322 1.00 54.21 C ATOM 834 O ASP A 49 -5.844 8.400 -7.514 1.00 44.30 O ATOM 835 CB ASP A 49 -8.751 8.495 -8.690 1.00 11.24 C ATOM 836 CG ASP A 49 -9.401 9.809 -8.225 1.00 62.12 C ATOM 837 OD1 ASP A 49 -9.131 10.249 -7.095 1.00 10.22 O ATOM 838 OD2 ASP A 49 -10.176 10.413 -8.995 1.00 53.41 O ATOM 0 H ASP A 49 -6.861 6.683 -9.328 1.00 3.01 H new ATOM 0 HA ASP A 49 -7.475 9.490 -10.120 1.00 31.12 H new ATOM 0 HB2 ASP A 49 -9.415 7.995 -9.395 1.00 11.24 H new ATOM 0 HB3 ASP A 49 -8.634 7.829 -7.835 1.00 11.24 H new ATOM 843 N LYS A 50 -6.044 10.526 -8.333 1.00 44.03 N ATOM 844 CA LYS A 50 -5.015 11.139 -7.466 1.00 61.43 C ATOM 845 C LYS A 50 -5.491 11.203 -6.004 1.00 35.14 C ATOM 846 O LYS A 50 -4.716 10.922 -5.098 1.00 31.41 O ATOM 847 CB LYS A 50 -4.619 12.558 -7.977 1.00 1.23 C ATOM 848 CG LYS A 50 -3.548 13.314 -7.129 1.00 54.55 C ATOM 849 CD LYS A 50 -2.248 12.499 -6.896 1.00 12.12 C ATOM 850 CE LYS A 50 -1.196 13.239 -6.041 1.00 21.41 C ATOM 851 NZ LYS A 50 -1.673 13.525 -4.659 1.00 13.21 N ATOM 0 H LYS A 50 -6.515 11.195 -8.942 1.00 44.03 H new ATOM 0 HA LYS A 50 -4.129 10.506 -7.508 1.00 61.43 H new ATOM 0 HB2 LYS A 50 -4.247 12.465 -8.997 1.00 1.23 H new ATOM 0 HB3 LYS A 50 -5.519 13.171 -8.021 1.00 1.23 H new ATOM 0 HG2 LYS A 50 -3.295 14.249 -7.629 1.00 54.55 H new ATOM 0 HG3 LYS A 50 -3.980 13.576 -6.163 1.00 54.55 H new ATOM 0 HD2 LYS A 50 -2.502 11.558 -6.409 1.00 12.12 H new ATOM 0 HD3 LYS A 50 -1.808 12.249 -7.862 1.00 12.12 H new ATOM 0 HE2 LYS A 50 -0.288 12.638 -5.990 1.00 21.41 H new ATOM 0 HE3 LYS A 50 -0.931 14.176 -6.530 1.00 21.41 H new ATOM 0 HZ1 LYS A 50 -1.635 14.549 -4.484 1.00 13.21 H new ATOM 0 HZ2 LYS A 50 -2.652 13.191 -4.554 1.00 13.21 H new ATOM 0 HZ3 LYS A 50 -1.065 13.034 -3.973 1.00 13.21 H new ATOM 865 N ASN A 51 -6.767 11.559 -5.786 1.00 23.02 N ATOM 866 CA ASN A 51 -7.331 11.713 -4.424 1.00 65.22 C ATOM 867 C ASN A 51 -7.515 10.346 -3.745 1.00 54.41 C ATOM 868 O ASN A 51 -7.386 10.238 -2.524 1.00 73.23 O ATOM 869 CB ASN A 51 -8.679 12.481 -4.458 1.00 12.01 C ATOM 870 CG ASN A 51 -8.592 13.896 -5.054 1.00 31.52 C ATOM 871 OD1 ASN A 51 -9.543 14.375 -5.678 1.00 3.23 O ATOM 872 ND2 ASN A 51 -7.475 14.595 -4.850 1.00 21.30 N ATOM 0 H ASN A 51 -7.434 11.747 -6.534 1.00 23.02 H new ATOM 0 HA ASN A 51 -6.619 12.296 -3.840 1.00 65.22 H new ATOM 0 HB2 ASN A 51 -9.399 11.901 -5.036 1.00 12.01 H new ATOM 0 HB3 ASN A 51 -9.068 12.552 -3.442 1.00 12.01 H new ATOM 0 HD21 ASN A 51 -7.395 15.545 -5.212 1.00 21.30 H new ATOM 0 HD22 ASN A 51 -6.701 14.180 -4.331 1.00 21.30 H new ATOM 879 N GLU A 52 -7.801 9.304 -4.556 1.00 73.23 N ATOM 880 CA GLU A 52 -7.993 7.932 -4.058 1.00 20.15 C ATOM 881 C GLU A 52 -6.643 7.312 -3.661 1.00 53.51 C ATOM 882 O GLU A 52 -6.521 6.702 -2.593 1.00 32.12 O ATOM 883 CB GLU A 52 -8.709 7.042 -5.116 1.00 74.52 C ATOM 884 CG GLU A 52 -9.083 5.626 -4.613 1.00 14.32 C ATOM 885 CD GLU A 52 -10.007 5.642 -3.374 1.00 0.43 C ATOM 886 OE1 GLU A 52 -11.187 6.027 -3.518 1.00 42.14 O ATOM 887 OE2 GLU A 52 -9.566 5.282 -2.258 1.00 53.25 O ATOM 0 H GLU A 52 -7.904 9.393 -5.567 1.00 73.23 H new ATOM 0 HA GLU A 52 -8.630 7.982 -3.175 1.00 20.15 H new ATOM 0 HB2 GLU A 52 -9.616 7.549 -5.445 1.00 74.52 H new ATOM 0 HB3 GLU A 52 -8.063 6.946 -5.989 1.00 74.52 H new ATOM 0 HG2 GLU A 52 -9.575 5.080 -5.418 1.00 14.32 H new ATOM 0 HG3 GLU A 52 -8.171 5.081 -4.370 1.00 14.32 H new ATOM 894 N VAL A 53 -5.632 7.482 -4.530 1.00 53.23 N ATOM 895 CA VAL A 53 -4.280 6.945 -4.287 1.00 45.43 C ATOM 896 C VAL A 53 -3.613 7.707 -3.106 1.00 62.32 C ATOM 897 O VAL A 53 -2.918 7.111 -2.285 1.00 33.53 O ATOM 898 CB VAL A 53 -3.397 6.987 -5.604 1.00 64.05 C ATOM 899 CG1 VAL A 53 -2.827 8.391 -5.892 1.00 2.43 C ATOM 900 CG2 VAL A 53 -2.291 5.903 -5.594 1.00 23.04 C ATOM 0 H VAL A 53 -5.725 7.989 -5.410 1.00 53.23 H new ATOM 0 HA VAL A 53 -4.362 5.895 -4.006 1.00 45.43 H new ATOM 0 HB VAL A 53 -4.067 6.753 -6.431 1.00 64.05 H new ATOM 0 HG11 VAL A 53 -2.231 8.362 -6.804 1.00 2.43 H new ATOM 0 HG12 VAL A 53 -3.647 9.098 -6.017 1.00 2.43 H new ATOM 0 HG13 VAL A 53 -2.199 8.707 -5.059 1.00 2.43 H new ATOM 0 HG21 VAL A 53 -1.710 5.967 -6.514 1.00 23.04 H new ATOM 0 HG22 VAL A 53 -1.634 6.061 -4.738 1.00 23.04 H new ATOM 0 HG23 VAL A 53 -2.749 4.917 -5.522 1.00 23.04 H new ATOM 910 N ASP A 54 -3.911 9.024 -3.001 1.00 42.01 N ATOM 911 CA ASP A 54 -3.413 9.904 -1.918 1.00 73.13 C ATOM 912 C ASP A 54 -4.058 9.527 -0.576 1.00 22.44 C ATOM 913 O ASP A 54 -3.414 9.600 0.475 1.00 3.04 O ATOM 914 CB ASP A 54 -3.707 11.389 -2.255 1.00 61.51 C ATOM 915 CG ASP A 54 -3.243 12.357 -1.159 1.00 3.21 C ATOM 916 OD1 ASP A 54 -2.027 12.646 -1.085 1.00 13.11 O ATOM 917 OD2 ASP A 54 -4.088 12.840 -0.370 1.00 54.45 O ATOM 0 H ASP A 54 -4.508 9.509 -3.671 1.00 42.01 H new ATOM 0 HA ASP A 54 -2.335 9.769 -1.833 1.00 73.13 H new ATOM 0 HB2 ASP A 54 -3.214 11.647 -3.192 1.00 61.51 H new ATOM 0 HB3 ASP A 54 -4.778 11.515 -2.413 1.00 61.51 H new ATOM 922 N ARG A 55 -5.341 9.137 -0.647 1.00 71.30 N ATOM 923 CA ARG A 55 -6.107 8.634 0.506 1.00 45.01 C ATOM 924 C ARG A 55 -5.437 7.379 1.094 1.00 34.33 C ATOM 925 O ARG A 55 -5.352 7.229 2.312 1.00 10.00 O ATOM 926 CB ARG A 55 -7.564 8.323 0.082 1.00 61.11 C ATOM 927 CG ARG A 55 -8.443 7.715 1.187 1.00 71.43 C ATOM 928 CD ARG A 55 -9.872 7.435 0.716 1.00 21.44 C ATOM 929 NE ARG A 55 -10.627 6.706 1.740 1.00 42.20 N ATOM 930 CZ ARG A 55 -11.044 5.440 1.637 1.00 20.42 C ATOM 931 NH1 ARG A 55 -10.797 4.723 0.538 1.00 75.10 N ATOM 932 NH2 ARG A 55 -11.692 4.892 2.656 1.00 5.43 N ATOM 0 H ARG A 55 -5.880 9.162 -1.512 1.00 71.30 H new ATOM 0 HA ARG A 55 -6.124 9.405 1.277 1.00 45.01 H new ATOM 0 HB2 ARG A 55 -8.030 9.244 -0.267 1.00 61.11 H new ATOM 0 HB3 ARG A 55 -7.542 7.636 -0.764 1.00 61.11 H new ATOM 0 HG2 ARG A 55 -7.991 6.786 1.536 1.00 71.43 H new ATOM 0 HG3 ARG A 55 -8.472 8.395 2.038 1.00 71.43 H new ATOM 0 HD2 ARG A 55 -10.375 8.375 0.488 1.00 21.44 H new ATOM 0 HD3 ARG A 55 -9.848 6.854 -0.206 1.00 21.44 H new ATOM 0 HE ARG A 55 -10.852 7.205 2.601 1.00 42.20 H new ATOM 0 HH11 ARG A 55 -10.283 5.140 -0.238 1.00 75.10 H new ATOM 0 HH12 ARG A 55 -11.122 3.758 0.475 1.00 75.10 H new ATOM 0 HH21 ARG A 55 -11.865 5.435 3.502 1.00 5.43 H new ATOM 0 HH22 ARG A 55 -12.017 3.927 2.594 1.00 5.43 H new ATOM 946 N ILE A 56 -4.951 6.497 0.200 1.00 0.21 N ATOM 947 CA ILE A 56 -4.208 5.282 0.586 1.00 3.43 C ATOM 948 C ILE A 56 -2.827 5.659 1.179 1.00 41.55 C ATOM 949 O ILE A 56 -2.409 5.078 2.184 1.00 71.10 O ATOM 950 CB ILE A 56 -4.050 4.301 -0.649 1.00 42.23 C ATOM 951 CG1 ILE A 56 -5.461 3.910 -1.214 1.00 21.14 C ATOM 952 CG2 ILE A 56 -3.229 3.032 -0.281 1.00 61.34 C ATOM 953 CD1 ILE A 56 -5.442 3.086 -2.494 1.00 32.52 C ATOM 0 H ILE A 56 -5.062 6.606 -0.808 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.777 4.759 1.354 1.00 3.43 H new ATOM 0 HB ILE A 56 -3.493 4.828 -1.424 1.00 42.23 H new ATOM 0 HG12 ILE A 56 -5.999 3.350 -0.449 1.00 21.14 H new ATOM 0 HG13 ILE A 56 -6.027 4.823 -1.397 1.00 21.14 H new ATOM 0 HG21 ILE A 56 -3.145 2.387 -1.156 1.00 61.34 H new ATOM 0 HG22 ILE A 56 -2.233 3.326 0.050 1.00 61.34 H new ATOM 0 HG23 ILE A 56 -3.733 2.492 0.521 1.00 61.34 H new ATOM 0 HD11 ILE A 56 -6.465 2.868 -2.802 1.00 32.52 H new ATOM 0 HD12 ILE A 56 -4.938 3.648 -3.281 1.00 32.52 H new ATOM 0 HD13 ILE A 56 -4.909 2.152 -2.317 1.00 32.52 H new ATOM 965 N LEU A 57 -2.164 6.672 0.567 1.00 63.31 N ATOM 966 CA LEU A 57 -0.807 7.136 0.961 1.00 44.42 C ATOM 967 C LEU A 57 -0.768 7.605 2.428 1.00 14.04 C ATOM 968 O LEU A 57 0.121 7.208 3.201 1.00 35.32 O ATOM 969 CB LEU A 57 -0.328 8.306 0.046 1.00 3.15 C ATOM 970 CG LEU A 57 1.124 8.840 0.310 1.00 31.33 C ATOM 971 CD1 LEU A 57 2.180 7.743 0.104 1.00 62.53 C ATOM 972 CD2 LEU A 57 1.437 10.090 -0.545 1.00 22.14 C ATOM 0 H LEU A 57 -2.556 7.193 -0.217 1.00 63.31 H new ATOM 0 HA LEU A 57 -0.140 6.282 0.845 1.00 44.42 H new ATOM 0 HB2 LEU A 57 -0.389 7.977 -0.991 1.00 3.15 H new ATOM 0 HB3 LEU A 57 -1.025 9.137 0.159 1.00 3.15 H new ATOM 0 HG LEU A 57 1.167 9.141 1.357 1.00 31.33 H new ATOM 0 HD11 LEU A 57 3.172 8.152 0.296 1.00 62.53 H new ATOM 0 HD12 LEU A 57 1.988 6.919 0.791 1.00 62.53 H new ATOM 0 HD13 LEU A 57 2.130 7.378 -0.922 1.00 62.53 H new ATOM 0 HD21 LEU A 57 2.451 10.430 -0.334 1.00 22.14 H new ATOM 0 HD22 LEU A 57 1.351 9.839 -1.602 1.00 22.14 H new ATOM 0 HD23 LEU A 57 0.730 10.883 -0.302 1.00 22.14 H new ATOM 984 N GLU A 58 -1.722 8.478 2.782 1.00 11.32 N ATOM 985 CA GLU A 58 -1.837 9.007 4.144 1.00 72.44 C ATOM 986 C GLU A 58 -2.305 7.910 5.121 1.00 73.43 C ATOM 987 O GLU A 58 -1.735 7.768 6.209 1.00 52.24 O ATOM 988 CB GLU A 58 -2.794 10.232 4.197 1.00 23.11 C ATOM 989 CG GLU A 58 -4.213 9.991 3.636 1.00 64.42 C ATOM 990 CD GLU A 58 -5.232 11.075 4.007 1.00 32.45 C ATOM 991 OE1 GLU A 58 -5.119 12.211 3.503 1.00 64.03 O ATOM 992 OE2 GLU A 58 -6.146 10.796 4.814 1.00 72.34 O ATOM 0 H GLU A 58 -2.428 8.833 2.137 1.00 11.32 H new ATOM 0 HA GLU A 58 -0.847 9.343 4.452 1.00 72.44 H new ATOM 0 HB2 GLU A 58 -2.882 10.558 5.233 1.00 23.11 H new ATOM 0 HB3 GLU A 58 -2.337 11.052 3.643 1.00 23.11 H new ATOM 0 HG2 GLU A 58 -4.154 9.921 2.550 1.00 64.42 H new ATOM 0 HG3 GLU A 58 -4.576 9.029 3.998 1.00 64.42 H new ATOM 999 N GLU A 59 -3.310 7.111 4.689 1.00 5.54 N ATOM 1000 CA GLU A 59 -4.019 6.156 5.562 1.00 4.31 C ATOM 1001 C GLU A 59 -3.072 5.082 6.107 1.00 61.33 C ATOM 1002 O GLU A 59 -3.077 4.814 7.311 1.00 14.03 O ATOM 1003 CB GLU A 59 -5.220 5.492 4.832 1.00 11.32 C ATOM 1004 CG GLU A 59 -6.087 4.602 5.739 1.00 3.51 C ATOM 1005 CD GLU A 59 -7.285 3.973 5.012 1.00 62.34 C ATOM 1006 OE1 GLU A 59 -7.141 2.859 4.467 1.00 41.13 O ATOM 1007 OE2 GLU A 59 -8.391 4.567 5.020 1.00 1.34 O ATOM 0 H GLU A 59 -3.648 7.113 3.727 1.00 5.54 H new ATOM 0 HA GLU A 59 -4.408 6.729 6.403 1.00 4.31 H new ATOM 0 HB2 GLU A 59 -5.846 6.272 4.400 1.00 11.32 H new ATOM 0 HB3 GLU A 59 -4.842 4.892 4.004 1.00 11.32 H new ATOM 0 HG2 GLU A 59 -5.467 3.808 6.156 1.00 3.51 H new ATOM 0 HG3 GLU A 59 -6.451 5.196 6.577 1.00 3.51 H new ATOM 1014 N VAL A 60 -2.246 4.492 5.215 1.00 31.40 N ATOM 1015 CA VAL A 60 -1.275 3.439 5.599 1.00 50.14 C ATOM 1016 C VAL A 60 -0.314 3.940 6.699 1.00 32.44 C ATOM 1017 O VAL A 60 -0.069 3.240 7.680 1.00 22.32 O ATOM 1018 CB VAL A 60 -0.456 2.875 4.369 1.00 40.14 C ATOM 1019 CG1 VAL A 60 0.234 3.985 3.553 1.00 34.03 C ATOM 1020 CG2 VAL A 60 0.573 1.804 4.836 1.00 50.34 C ATOM 0 H VAL A 60 -2.231 4.726 4.222 1.00 31.40 H new ATOM 0 HA VAL A 60 -1.866 2.613 5.994 1.00 50.14 H new ATOM 0 HB VAL A 60 -1.176 2.401 3.702 1.00 40.14 H new ATOM 0 HG11 VAL A 60 0.781 3.539 2.722 1.00 34.03 H new ATOM 0 HG12 VAL A 60 -0.518 4.672 3.165 1.00 34.03 H new ATOM 0 HG13 VAL A 60 0.928 4.530 4.193 1.00 34.03 H new ATOM 0 HG21 VAL A 60 1.125 1.430 3.974 1.00 50.34 H new ATOM 0 HG22 VAL A 60 1.268 2.253 5.545 1.00 50.34 H new ATOM 0 HG23 VAL A 60 0.047 0.979 5.316 1.00 50.34 H new ATOM 1030 N ARG A 61 0.160 5.182 6.549 1.00 53.41 N ATOM 1031 CA ARG A 61 1.078 5.817 7.509 1.00 15.31 C ATOM 1032 C ARG A 61 0.362 6.136 8.846 1.00 53.30 C ATOM 1033 O ARG A 61 0.977 6.054 9.917 1.00 71.31 O ATOM 1034 CB ARG A 61 1.676 7.094 6.867 1.00 33.32 C ATOM 1035 CG ARG A 61 2.607 6.825 5.667 1.00 32.51 C ATOM 1036 CD ARG A 61 3.115 8.118 5.005 1.00 44.32 C ATOM 1037 NE ARG A 61 4.185 7.843 4.035 1.00 64.31 N ATOM 1038 CZ ARG A 61 4.454 8.568 2.938 1.00 4.15 C ATOM 1039 NH1 ARG A 61 3.741 9.640 2.624 1.00 63.14 N ATOM 1040 NH2 ARG A 61 5.464 8.221 2.168 1.00 52.13 N ATOM 0 H ARG A 61 -0.081 5.779 5.758 1.00 53.41 H new ATOM 0 HA ARG A 61 1.887 5.125 7.744 1.00 15.31 H new ATOM 0 HB2 ARG A 61 0.860 7.739 6.541 1.00 33.32 H new ATOM 0 HB3 ARG A 61 2.232 7.643 7.627 1.00 33.32 H new ATOM 0 HG2 ARG A 61 3.460 6.233 6.000 1.00 32.51 H new ATOM 0 HG3 ARG A 61 2.075 6.228 4.927 1.00 32.51 H new ATOM 0 HD2 ARG A 61 2.288 8.620 4.503 1.00 44.32 H new ATOM 0 HD3 ARG A 61 3.484 8.800 5.771 1.00 44.32 H new ATOM 0 HE ARG A 61 4.775 7.030 4.211 1.00 64.31 H new ATOM 0 HH11 ARG A 61 2.967 9.931 3.222 1.00 63.14 H new ATOM 0 HH12 ARG A 61 3.966 10.174 1.785 1.00 63.14 H new ATOM 0 HH21 ARG A 61 6.032 7.409 2.408 1.00 52.13 H new ATOM 0 HH22 ARG A 61 5.678 8.764 1.332 1.00 52.13 H new ATOM 1054 N ARG A 62 -0.940 6.481 8.765 1.00 33.52 N ATOM 1055 CA ARG A 62 -1.776 6.812 9.945 1.00 64.11 C ATOM 1056 C ARG A 62 -2.107 5.555 10.768 1.00 24.40 C ATOM 1057 O ARG A 62 -2.175 5.619 12.002 1.00 21.20 O ATOM 1058 CB ARG A 62 -3.093 7.527 9.506 1.00 22.54 C ATOM 1059 CG ARG A 62 -2.899 8.943 8.927 1.00 13.21 C ATOM 1060 CD ARG A 62 -2.269 9.931 9.924 1.00 0.23 C ATOM 1061 NE ARG A 62 -3.081 10.073 11.148 1.00 51.41 N ATOM 1062 CZ ARG A 62 -2.632 10.529 12.332 1.00 4.22 C ATOM 1063 NH1 ARG A 62 -1.366 10.909 12.484 1.00 21.13 N ATOM 1064 NH2 ARG A 62 -3.463 10.625 13.361 1.00 63.30 N ATOM 0 H ARG A 62 -1.444 6.539 7.880 1.00 33.52 H new ATOM 0 HA ARG A 62 -1.200 7.490 10.575 1.00 64.11 H new ATOM 0 HB2 ARG A 62 -3.593 6.910 8.759 1.00 22.54 H new ATOM 0 HB3 ARG A 62 -3.760 7.590 10.366 1.00 22.54 H new ATOM 0 HG2 ARG A 62 -2.268 8.881 8.040 1.00 13.21 H new ATOM 0 HG3 ARG A 62 -3.865 9.331 8.604 1.00 13.21 H new ATOM 0 HD2 ARG A 62 -1.269 9.590 10.190 1.00 0.23 H new ATOM 0 HD3 ARG A 62 -2.157 10.905 9.448 1.00 0.23 H new ATOM 0 HE ARG A 62 -4.063 9.803 11.092 1.00 51.41 H new ATOM 0 HH11 ARG A 62 -0.720 10.857 11.696 1.00 21.13 H new ATOM 0 HH12 ARG A 62 -1.042 11.252 13.388 1.00 21.13 H new ATOM 0 HH21 ARG A 62 -4.440 10.353 13.254 1.00 63.30 H new ATOM 0 HH22 ARG A 62 -3.125 10.970 14.259 1.00 63.30 H new ATOM 1078 N LYS A 63 -2.314 4.422 10.071 1.00 33.03 N ATOM 1079 CA LYS A 63 -2.661 3.134 10.711 1.00 62.40 C ATOM 1080 C LYS A 63 -1.398 2.488 11.303 1.00 62.05 C ATOM 1081 O LYS A 63 -1.405 1.998 12.442 1.00 1.54 O ATOM 1082 CB LYS A 63 -3.321 2.161 9.677 1.00 31.24 C ATOM 1083 CG LYS A 63 -4.622 2.678 9.029 1.00 22.13 C ATOM 1084 CD LYS A 63 -5.759 2.931 10.041 1.00 4.13 C ATOM 1085 CE LYS A 63 -6.980 3.590 9.383 1.00 73.42 C ATOM 1086 NZ LYS A 63 -8.077 3.820 10.363 1.00 51.44 N ATOM 0 H LYS A 63 -2.247 4.371 9.055 1.00 33.03 H new ATOM 0 HA LYS A 63 -3.377 3.327 11.510 1.00 62.40 H new ATOM 0 HB2 LYS A 63 -2.599 1.951 8.888 1.00 31.24 H new ATOM 0 HB3 LYS A 63 -3.533 1.215 10.176 1.00 31.24 H new ATOM 0 HG2 LYS A 63 -4.409 3.604 8.496 1.00 22.13 H new ATOM 0 HG3 LYS A 63 -4.961 1.954 8.288 1.00 22.13 H new ATOM 0 HD2 LYS A 63 -6.058 1.986 10.494 1.00 4.13 H new ATOM 0 HD3 LYS A 63 -5.393 3.569 10.846 1.00 4.13 H new ATOM 0 HE2 LYS A 63 -6.685 4.540 8.938 1.00 73.42 H new ATOM 0 HE3 LYS A 63 -7.343 2.957 8.573 1.00 73.42 H new ATOM 0 HZ1 LYS A 63 -8.884 4.266 9.882 1.00 51.44 H new ATOM 0 HZ2 LYS A 63 -8.376 2.911 10.769 1.00 51.44 H new ATOM 0 HZ3 LYS A 63 -7.738 4.444 11.123 1.00 51.44 H new ATOM 1100 N VAL A 64 -0.312 2.543 10.526 1.00 43.21 N ATOM 1101 CA VAL A 64 0.971 1.924 10.867 1.00 30.35 C ATOM 1102 C VAL A 64 2.138 2.836 10.391 1.00 64.14 C ATOM 1103 O VAL A 64 2.468 2.879 9.196 1.00 21.32 O ATOM 1104 CB VAL A 64 1.073 0.456 10.279 1.00 54.31 C ATOM 1105 CG1 VAL A 64 0.674 0.382 8.791 1.00 32.31 C ATOM 1106 CG2 VAL A 64 2.473 -0.159 10.520 1.00 3.22 C ATOM 0 H VAL A 64 -0.300 3.027 9.628 1.00 43.21 H new ATOM 0 HA VAL A 64 1.044 1.826 11.950 1.00 30.35 H new ATOM 0 HB VAL A 64 0.347 -0.145 10.826 1.00 54.31 H new ATOM 0 HG11 VAL A 64 0.763 -0.647 8.441 1.00 32.31 H new ATOM 0 HG12 VAL A 64 -0.356 0.718 8.673 1.00 32.31 H new ATOM 0 HG13 VAL A 64 1.333 1.023 8.205 1.00 32.31 H new ATOM 0 HG21 VAL A 64 2.505 -1.166 10.103 1.00 3.22 H new ATOM 0 HG22 VAL A 64 3.230 0.458 10.036 1.00 3.22 H new ATOM 0 HG23 VAL A 64 2.671 -0.203 11.591 1.00 3.22 H new ATOM 1116 N PRO A 65 2.769 3.625 11.331 1.00 15.11 N ATOM 1117 CA PRO A 65 3.971 4.465 11.025 1.00 52.43 C ATOM 1118 C PRO A 65 5.248 3.619 10.777 1.00 12.30 C ATOM 1119 O PRO A 65 6.274 4.139 10.316 1.00 42.40 O ATOM 1120 CB PRO A 65 4.105 5.350 12.291 1.00 23.25 C ATOM 1121 CG PRO A 65 3.494 4.536 13.389 1.00 70.31 C ATOM 1122 CD PRO A 65 2.341 3.794 12.753 1.00 64.02 C ATOM 0 HA PRO A 65 3.857 5.037 10.104 1.00 52.43 H new ATOM 0 HB2 PRO A 65 5.149 5.582 12.504 1.00 23.25 H new ATOM 0 HB3 PRO A 65 3.586 6.300 12.167 1.00 23.25 H new ATOM 0 HG2 PRO A 65 4.220 3.842 13.813 1.00 70.31 H new ATOM 0 HG3 PRO A 65 3.149 5.173 14.203 1.00 70.31 H new ATOM 0 HD2 PRO A 65 2.169 2.832 13.236 1.00 64.02 H new ATOM 0 HD3 PRO A 65 1.412 4.359 12.827 1.00 64.02 H new ATOM 1130 N ASN A 66 5.162 2.315 11.097 1.00 13.20 N ATOM 1131 CA ASN A 66 6.258 1.344 10.903 1.00 12.33 C ATOM 1132 C ASN A 66 6.380 0.916 9.429 1.00 42.43 C ATOM 1133 O ASN A 66 7.434 0.426 9.012 1.00 71.10 O ATOM 1134 CB ASN A 66 6.027 0.102 11.800 1.00 45.03 C ATOM 1135 CG ASN A 66 5.979 0.458 13.287 1.00 53.22 C ATOM 1136 OD1 ASN A 66 4.926 0.829 13.812 1.00 4.32 O ATOM 1137 ND2 ASN A 66 7.107 0.343 13.978 1.00 1.25 N ATOM 0 H ASN A 66 4.322 1.900 11.501 1.00 13.20 H new ATOM 0 HA ASN A 66 7.192 1.830 11.187 1.00 12.33 H new ATOM 0 HB2 ASN A 66 5.092 -0.380 11.514 1.00 45.03 H new ATOM 0 HB3 ASN A 66 6.824 -0.621 11.628 1.00 45.03 H new ATOM 0 HD21 ASN A 66 7.120 0.564 14.974 1.00 1.25 H new ATOM 0 HD22 ASN A 66 7.961 0.033 13.513 1.00 1.25 H new ATOM 1144 N ALA A 67 5.294 1.089 8.656 1.00 45.52 N ATOM 1145 CA ALA A 67 5.278 0.787 7.217 1.00 44.34 C ATOM 1146 C ALA A 67 6.122 1.823 6.440 1.00 61.34 C ATOM 1147 O ALA A 67 5.798 3.017 6.453 1.00 52.45 O ATOM 1148 CB ALA A 67 3.826 0.762 6.702 1.00 61.34 C ATOM 0 H ALA A 67 4.405 1.441 9.012 1.00 45.52 H new ATOM 0 HA ALA A 67 5.719 -0.196 7.055 1.00 44.34 H new ATOM 0 HB1 ALA A 67 3.822 0.538 5.635 1.00 61.34 H new ATOM 0 HB2 ALA A 67 3.264 -0.004 7.236 1.00 61.34 H new ATOM 0 HB3 ALA A 67 3.364 1.735 6.870 1.00 61.34 H new ATOM 1154 N ARG A 68 7.221 1.359 5.803 1.00 51.14 N ATOM 1155 CA ARG A 68 8.061 2.203 4.923 1.00 23.51 C ATOM 1156 C ARG A 68 7.303 2.449 3.612 1.00 30.13 C ATOM 1157 O ARG A 68 7.271 1.597 2.742 1.00 54.33 O ATOM 1158 CB ARG A 68 9.420 1.488 4.634 1.00 3.11 C ATOM 1159 CG ARG A 68 10.362 2.194 3.622 1.00 74.51 C ATOM 1160 CD ARG A 68 10.898 3.550 4.112 1.00 4.24 C ATOM 1161 NE ARG A 68 11.974 4.067 3.238 1.00 35.11 N ATOM 1162 CZ ARG A 68 13.093 4.681 3.668 1.00 42.23 C ATOM 1163 NH1 ARG A 68 13.310 4.876 4.965 1.00 44.11 N ATOM 1164 NH2 ARG A 68 14.004 5.086 2.798 1.00 12.12 N ATOM 0 H ARG A 68 7.549 0.396 5.883 1.00 51.14 H new ATOM 0 HA ARG A 68 8.271 3.155 5.411 1.00 23.51 H new ATOM 0 HB2 ARG A 68 9.954 1.373 5.577 1.00 3.11 H new ATOM 0 HB3 ARG A 68 9.208 0.485 4.263 1.00 3.11 H new ATOM 0 HG2 ARG A 68 11.205 1.538 3.406 1.00 74.51 H new ATOM 0 HG3 ARG A 68 9.826 2.343 2.685 1.00 74.51 H new ATOM 0 HD2 ARG A 68 10.082 4.271 4.148 1.00 4.24 H new ATOM 0 HD3 ARG A 68 11.276 3.445 5.129 1.00 4.24 H new ATOM 0 HE ARG A 68 11.859 3.949 2.231 1.00 35.11 H new ATOM 0 HH11 ARG A 68 12.624 4.559 5.650 1.00 44.11 H new ATOM 0 HH12 ARG A 68 14.162 5.343 5.275 1.00 44.11 H new ATOM 0 HH21 ARG A 68 13.859 4.933 1.800 1.00 12.12 H new ATOM 0 HH22 ARG A 68 14.851 5.551 3.125 1.00 12.12 H new ATOM 1178 N VAL A 69 6.698 3.616 3.474 1.00 15.34 N ATOM 1179 CA VAL A 69 5.863 3.942 2.318 1.00 41.53 C ATOM 1180 C VAL A 69 6.658 4.862 1.376 1.00 41.34 C ATOM 1181 O VAL A 69 7.005 5.984 1.742 1.00 62.34 O ATOM 1182 CB VAL A 69 4.514 4.601 2.786 1.00 71.32 C ATOM 1183 CG1 VAL A 69 3.575 4.853 1.597 1.00 31.40 C ATOM 1184 CG2 VAL A 69 3.826 3.725 3.863 1.00 43.44 C ATOM 0 H VAL A 69 6.768 4.369 4.158 1.00 15.34 H new ATOM 0 HA VAL A 69 5.600 3.034 1.775 1.00 41.53 H new ATOM 0 HB VAL A 69 4.747 5.569 3.230 1.00 71.32 H new ATOM 0 HG11 VAL A 69 2.651 5.309 1.953 1.00 31.40 H new ATOM 0 HG12 VAL A 69 4.060 5.522 0.886 1.00 31.40 H new ATOM 0 HG13 VAL A 69 3.347 3.907 1.107 1.00 31.40 H new ATOM 0 HG21 VAL A 69 2.894 4.197 4.175 1.00 43.44 H new ATOM 0 HG22 VAL A 69 3.613 2.740 3.449 1.00 43.44 H new ATOM 0 HG23 VAL A 69 4.486 3.622 4.724 1.00 43.44 H new ATOM 1194 N ARG A 70 6.998 4.347 0.186 1.00 54.15 N ATOM 1195 CA ARG A 70 7.742 5.084 -0.846 1.00 13.41 C ATOM 1196 C ARG A 70 6.985 4.932 -2.170 1.00 53.44 C ATOM 1197 O ARG A 70 6.721 3.807 -2.607 1.00 3.21 O ATOM 1198 CB ARG A 70 9.206 4.535 -0.938 1.00 14.54 C ATOM 1199 CG ARG A 70 10.171 5.329 -1.870 1.00 32.01 C ATOM 1200 CD ARG A 70 10.106 4.933 -3.364 1.00 44.13 C ATOM 1201 NE ARG A 70 10.899 5.850 -4.215 1.00 33.30 N ATOM 1202 CZ ARG A 70 11.981 5.521 -4.935 1.00 33.00 C ATOM 1203 NH1 ARG A 70 12.462 4.282 -4.941 1.00 61.30 N ATOM 1204 NH2 ARG A 70 12.567 6.449 -5.674 1.00 63.25 N ATOM 0 H ARG A 70 6.761 3.394 -0.091 1.00 54.15 H new ATOM 0 HA ARG A 70 7.815 6.143 -0.600 1.00 13.41 H new ATOM 0 HB2 ARG A 70 9.632 4.519 0.065 1.00 14.54 H new ATOM 0 HB3 ARG A 70 9.166 3.502 -1.284 1.00 14.54 H new ATOM 0 HG2 ARG A 70 9.946 6.392 -1.781 1.00 32.01 H new ATOM 0 HG3 ARG A 70 11.192 5.188 -1.516 1.00 32.01 H new ATOM 0 HD2 ARG A 70 10.475 3.915 -3.486 1.00 44.13 H new ATOM 0 HD3 ARG A 70 9.068 4.937 -3.696 1.00 44.13 H new ATOM 0 HE ARG A 70 10.593 6.822 -4.257 1.00 33.30 H new ATOM 0 HH11 ARG A 70 12.006 3.555 -4.389 1.00 61.30 H new ATOM 0 HH12 ARG A 70 13.287 4.058 -5.498 1.00 61.30 H new ATOM 0 HH21 ARG A 70 12.195 7.398 -5.690 1.00 63.25 H new ATOM 0 HH22 ARG A 70 13.391 6.215 -6.228 1.00 63.25 H new ATOM 1218 N GLU A 71 6.649 6.065 -2.804 1.00 55.21 N ATOM 1219 CA GLU A 71 5.904 6.103 -4.080 1.00 20.35 C ATOM 1220 C GLU A 71 6.812 6.552 -5.250 1.00 32.21 C ATOM 1221 O GLU A 71 7.772 7.314 -5.079 1.00 11.21 O ATOM 1222 CB GLU A 71 4.600 6.984 -3.961 1.00 33.11 C ATOM 1223 CG GLU A 71 4.650 8.162 -2.961 1.00 72.43 C ATOM 1224 CD GLU A 71 5.767 9.179 -3.246 1.00 72.04 C ATOM 1225 OE1 GLU A 71 5.631 9.971 -4.193 1.00 61.01 O ATOM 1226 OE2 GLU A 71 6.786 9.192 -2.513 1.00 61.55 O ATOM 0 H GLU A 71 6.887 6.990 -2.446 1.00 55.21 H new ATOM 0 HA GLU A 71 5.578 5.088 -4.305 1.00 20.35 H new ATOM 0 HB2 GLU A 71 4.368 7.384 -4.948 1.00 33.11 H new ATOM 0 HB3 GLU A 71 3.773 6.332 -3.679 1.00 33.11 H new ATOM 0 HG2 GLU A 71 3.690 8.679 -2.976 1.00 72.43 H new ATOM 0 HG3 GLU A 71 4.783 7.765 -1.955 1.00 72.43 H new ATOM 1233 N THR A 72 6.496 6.009 -6.432 1.00 51.21 N ATOM 1234 CA THR A 72 7.175 6.273 -7.706 1.00 3.13 C ATOM 1235 C THR A 72 6.094 6.526 -8.770 1.00 23.43 C ATOM 1236 O THR A 72 5.133 5.755 -8.861 1.00 51.53 O ATOM 1237 CB THR A 72 8.049 5.035 -8.129 1.00 72.34 C ATOM 1238 OG1 THR A 72 7.254 3.837 -8.061 1.00 54.20 O ATOM 1239 CG2 THR A 72 9.295 4.851 -7.246 1.00 3.24 C ATOM 0 H THR A 72 5.728 5.346 -6.531 1.00 51.21 H new ATOM 0 HA THR A 72 7.832 7.137 -7.606 1.00 3.13 H new ATOM 0 HB THR A 72 8.390 5.224 -9.147 1.00 72.34 H new ATOM 0 HG1 THR A 72 6.316 4.056 -8.242 1.00 54.20 H new ATOM 0 HG21 THR A 72 9.857 3.982 -7.587 1.00 3.24 H new ATOM 0 HG22 THR A 72 9.923 5.739 -7.314 1.00 3.24 H new ATOM 0 HG23 THR A 72 8.988 4.702 -6.211 1.00 3.24 H new ATOM 1247 N GLU A 73 6.238 7.598 -9.555 1.00 64.33 N ATOM 1248 CA GLU A 73 5.322 7.888 -10.669 1.00 4.24 C ATOM 1249 C GLU A 73 5.799 7.086 -11.889 1.00 21.43 C ATOM 1250 O GLU A 73 6.804 7.444 -12.515 1.00 23.31 O ATOM 1251 CB GLU A 73 5.254 9.417 -10.981 1.00 44.03 C ATOM 1252 CG GLU A 73 4.770 10.314 -9.810 1.00 20.20 C ATOM 1253 CD GLU A 73 5.820 10.503 -8.694 1.00 63.44 C ATOM 1254 OE1 GLU A 73 6.750 11.324 -8.874 1.00 44.10 O ATOM 1255 OE2 GLU A 73 5.729 9.839 -7.643 1.00 34.02 O ATOM 0 H GLU A 73 6.984 8.284 -9.441 1.00 64.33 H new ATOM 0 HA GLU A 73 4.308 7.592 -10.399 1.00 4.24 H new ATOM 0 HB2 GLU A 73 6.245 9.752 -11.288 1.00 44.03 H new ATOM 0 HB3 GLU A 73 4.589 9.568 -11.831 1.00 44.03 H new ATOM 0 HG2 GLU A 73 4.493 11.292 -10.204 1.00 20.20 H new ATOM 0 HG3 GLU A 73 3.869 9.877 -9.378 1.00 20.20 H new ATOM 1262 N THR A 74 5.104 5.970 -12.169 1.00 12.22 N ATOM 1263 CA THR A 74 5.452 5.062 -13.261 1.00 25.21 C ATOM 1264 C THR A 74 5.319 5.763 -14.630 1.00 20.22 C ATOM 1265 O THR A 74 4.256 6.282 -14.981 1.00 44.45 O ATOM 1266 CB THR A 74 4.558 3.791 -13.246 1.00 13.13 C ATOM 1267 OG1 THR A 74 4.503 3.252 -11.917 1.00 64.31 O ATOM 1268 CG2 THR A 74 5.073 2.707 -14.214 1.00 52.05 C ATOM 0 H THR A 74 4.283 5.677 -11.639 1.00 12.22 H new ATOM 0 HA THR A 74 6.490 4.765 -13.111 1.00 25.21 H new ATOM 0 HB THR A 74 3.563 4.089 -13.576 1.00 13.13 H new ATOM 0 HG1 THR A 74 3.937 2.452 -11.912 1.00 64.31 H new ATOM 0 HG21 THR A 74 4.417 1.838 -14.169 1.00 52.05 H new ATOM 0 HG22 THR A 74 5.084 3.102 -15.230 1.00 52.05 H new ATOM 0 HG23 THR A 74 6.083 2.414 -13.928 1.00 52.05 H new ATOM 1276 N GLY A 75 6.416 5.743 -15.368 1.00 1.22 N ATOM 1277 CA GLY A 75 6.538 6.390 -16.654 1.00 24.12 C ATOM 1278 C GLY A 75 7.944 6.230 -17.201 1.00 73.14 C ATOM 1279 O GLY A 75 8.741 5.434 -16.672 1.00 42.31 O ATOM 0 H GLY A 75 7.267 5.262 -15.077 1.00 1.22 H new ATOM 0 HA2 GLY A 75 5.819 5.961 -17.352 1.00 24.12 H new ATOM 0 HA3 GLY A 75 6.297 7.449 -16.559 1.00 24.12 H new ATOM 1283 N SER A 76 8.246 7.023 -18.221 1.00 43.22 N ATOM 1284 CA SER A 76 9.520 6.979 -18.970 1.00 12.41 C ATOM 1285 C SER A 76 9.477 7.975 -20.146 1.00 74.54 C ATOM 1286 O SER A 76 10.533 8.412 -20.630 1.00 33.40 O ATOM 1287 CB SER A 76 9.836 5.560 -19.520 1.00 32.30 C ATOM 1288 OG SER A 76 11.136 5.506 -20.098 1.00 11.12 O ATOM 0 H SER A 76 7.604 7.736 -18.568 1.00 43.22 H new ATOM 0 HA SER A 76 10.309 7.252 -18.269 1.00 12.41 H new ATOM 0 HB2 SER A 76 9.764 4.831 -18.713 1.00 32.30 H new ATOM 0 HB3 SER A 76 9.092 5.283 -20.267 1.00 32.30 H new ATOM 0 HG SER A 76 11.307 4.601 -20.434 1.00 11.12 H new ATOM 1294 N LEU A 77 8.244 8.292 -20.612 1.00 22.31 N ATOM 1295 CA LEU A 77 7.999 9.154 -21.779 1.00 73.03 C ATOM 1296 C LEU A 77 8.448 10.604 -21.510 1.00 41.40 C ATOM 1297 O LEU A 77 7.677 11.442 -21.016 1.00 41.42 O ATOM 1298 CB LEU A 77 6.490 9.085 -22.184 1.00 21.44 C ATOM 1299 CG LEU A 77 5.942 7.656 -22.526 1.00 43.14 C ATOM 1300 CD1 LEU A 77 4.437 7.689 -22.885 1.00 41.42 C ATOM 1301 CD2 LEU A 77 6.774 6.984 -23.642 1.00 41.45 C ATOM 0 H LEU A 77 7.387 7.949 -20.178 1.00 22.31 H new ATOM 0 HA LEU A 77 8.596 8.788 -22.614 1.00 73.03 H new ATOM 0 HB2 LEU A 77 5.895 9.497 -21.369 1.00 21.44 H new ATOM 0 HB3 LEU A 77 6.335 9.730 -23.049 1.00 21.44 H new ATOM 0 HG LEU A 77 6.046 7.048 -21.627 1.00 43.14 H new ATOM 0 HD11 LEU A 77 4.096 6.680 -23.116 1.00 41.42 H new ATOM 0 HD12 LEU A 77 3.870 8.080 -22.040 1.00 41.42 H new ATOM 0 HD13 LEU A 77 4.284 8.331 -23.753 1.00 41.42 H new ATOM 0 HD21 LEU A 77 6.367 5.995 -23.854 1.00 41.45 H new ATOM 0 HD22 LEU A 77 6.733 7.594 -24.544 1.00 41.45 H new ATOM 0 HD23 LEU A 77 7.810 6.888 -23.316 1.00 41.45 H new ATOM 1313 N GLU A 78 9.730 10.854 -21.789 1.00 62.22 N ATOM 1314 CA GLU A 78 10.347 12.184 -21.696 1.00 23.00 C ATOM 1315 C GLU A 78 10.136 12.950 -23.016 1.00 3.32 C ATOM 1316 O GLU A 78 9.705 12.368 -24.025 1.00 51.25 O ATOM 1317 CB GLU A 78 11.862 12.046 -21.371 1.00 5.30 C ATOM 1318 CG GLU A 78 12.679 11.246 -22.413 1.00 10.32 C ATOM 1319 CD GLU A 78 14.192 11.287 -22.163 1.00 31.22 C ATOM 1320 OE1 GLU A 78 14.795 12.365 -22.346 1.00 21.30 O ATOM 1321 OE2 GLU A 78 14.794 10.251 -21.800 1.00 3.21 O ATOM 0 H GLU A 78 10.380 10.128 -22.091 1.00 62.22 H new ATOM 0 HA GLU A 78 9.875 12.747 -20.891 1.00 23.00 H new ATOM 0 HB2 GLU A 78 12.292 13.043 -21.281 1.00 5.30 H new ATOM 0 HB3 GLU A 78 11.968 11.564 -20.399 1.00 5.30 H new ATOM 0 HG2 GLU A 78 12.345 10.208 -22.406 1.00 10.32 H new ATOM 0 HG3 GLU A 78 12.472 11.641 -23.407 1.00 10.32 H new ATOM 1328 N HIS A 79 10.446 14.257 -22.998 1.00 73.10 N ATOM 1329 CA HIS A 79 10.307 15.141 -24.175 1.00 20.42 C ATOM 1330 C HIS A 79 11.034 16.468 -23.928 1.00 70.35 C ATOM 1331 O HIS A 79 11.248 16.868 -22.770 1.00 72.45 O ATOM 1332 CB HIS A 79 8.812 15.395 -24.538 1.00 50.30 C ATOM 1333 CG HIS A 79 7.984 16.080 -23.476 1.00 13.33 C ATOM 1334 ND1 HIS A 79 7.094 17.088 -23.764 1.00 34.43 N ATOM 1335 CD2 HIS A 79 7.863 15.853 -22.142 1.00 55.24 C ATOM 1336 CE1 HIS A 79 6.463 17.447 -22.667 1.00 33.02 C ATOM 1337 NE2 HIS A 79 6.911 16.717 -21.670 1.00 21.44 N ATOM 0 H HIS A 79 10.800 14.734 -22.169 1.00 73.10 H new ATOM 0 HA HIS A 79 10.765 14.636 -25.025 1.00 20.42 H new ATOM 0 HB2 HIS A 79 8.776 15.998 -25.445 1.00 50.30 H new ATOM 0 HB3 HIS A 79 8.347 14.437 -24.773 1.00 50.30 H new ATOM 0 HD2 HIS A 79 8.414 15.127 -21.562 1.00 55.24 H new ATOM 0 HE1 HIS A 79 5.705 18.213 -22.597 1.00 33.02 H new ATOM 0 HE2 HIS A 79 6.600 16.783 -20.701 1.00 21.44 H new ATOM 1346 N HIS A 80 11.403 17.138 -25.027 1.00 70.01 N ATOM 1347 CA HIS A 80 12.104 18.433 -25.006 1.00 61.21 C ATOM 1348 C HIS A 80 11.550 19.336 -26.117 1.00 22.32 C ATOM 1349 O HIS A 80 10.977 18.846 -27.096 1.00 43.12 O ATOM 1350 CB HIS A 80 13.640 18.232 -25.167 1.00 75.31 C ATOM 1351 CG HIS A 80 14.080 17.510 -26.425 1.00 53.22 C ATOM 1352 ND1 HIS A 80 14.408 16.170 -26.443 1.00 52.04 N ATOM 1353 CD2 HIS A 80 14.274 17.949 -27.701 1.00 32.44 C ATOM 1354 CE1 HIS A 80 14.781 15.821 -27.659 1.00 55.43 C ATOM 1355 NE2 HIS A 80 14.710 16.876 -28.439 1.00 52.13 N ATOM 0 H HIS A 80 11.222 16.793 -25.970 1.00 70.01 H new ATOM 0 HA HIS A 80 11.933 18.914 -24.043 1.00 61.21 H new ATOM 0 HB2 HIS A 80 14.120 19.210 -25.145 1.00 75.31 H new ATOM 0 HB3 HIS A 80 14.008 17.677 -24.304 1.00 75.31 H new ATOM 0 HD2 HIS A 80 14.115 18.954 -28.064 1.00 32.44 H new ATOM 0 HE1 HIS A 80 15.093 14.833 -27.963 1.00 55.43 H new ATOM 0 HE2 HIS A 80 14.941 16.895 -29.432 1.00 52.13 H new ATOM 1364 N HIS A 81 11.736 20.654 -25.952 1.00 13.23 N ATOM 1365 CA HIS A 81 11.347 21.668 -26.956 1.00 51.14 C ATOM 1366 C HIS A 81 12.300 21.585 -28.161 1.00 64.30 C ATOM 1367 O HIS A 81 13.480 21.244 -27.998 1.00 14.45 O ATOM 1368 CB HIS A 81 11.386 23.092 -26.338 1.00 52.12 C ATOM 1369 CG HIS A 81 10.556 23.254 -25.082 1.00 11.13 C ATOM 1370 ND1 HIS A 81 9.324 23.876 -25.060 1.00 3.33 N ATOM 1371 CD2 HIS A 81 10.799 22.875 -23.798 1.00 42.52 C ATOM 1372 CE1 HIS A 81 8.852 23.867 -23.829 1.00 71.24 C ATOM 1373 NE2 HIS A 81 9.721 23.267 -23.049 1.00 73.23 N ATOM 0 H HIS A 81 12.162 21.053 -25.116 1.00 13.23 H new ATOM 0 HA HIS A 81 10.327 21.469 -27.286 1.00 51.14 H new ATOM 0 HB2 HIS A 81 12.421 23.347 -26.110 1.00 52.12 H new ATOM 0 HB3 HIS A 81 11.038 23.807 -27.083 1.00 52.12 H new ATOM 0 HD2 HIS A 81 11.678 22.361 -23.437 1.00 42.52 H new ATOM 0 HE1 HIS A 81 7.907 24.284 -23.514 1.00 71.24 H new ATOM 0 HE2 HIS A 81 9.611 23.117 -22.046 1.00 73.23 H new ATOM 1382 N HIS A 82 11.797 21.905 -29.359 1.00 71.22 N ATOM 1383 CA HIS A 82 12.554 21.750 -30.609 1.00 71.51 C ATOM 1384 C HIS A 82 12.254 22.915 -31.573 1.00 4.12 C ATOM 1385 O HIS A 82 11.219 22.933 -32.255 1.00 23.20 O ATOM 1386 CB HIS A 82 12.239 20.378 -31.268 1.00 23.22 C ATOM 1387 CG HIS A 82 12.886 20.181 -32.612 1.00 50.54 C ATOM 1388 ND1 HIS A 82 12.164 20.078 -33.779 1.00 63.24 N ATOM 1389 CD2 HIS A 82 14.186 20.082 -32.968 1.00 62.32 C ATOM 1390 CE1 HIS A 82 12.989 19.921 -34.790 1.00 2.14 C ATOM 1391 NE2 HIS A 82 14.218 19.919 -34.325 1.00 20.34 N ATOM 0 H HIS A 82 10.857 22.278 -29.490 1.00 71.22 H new ATOM 0 HA HIS A 82 13.619 21.775 -30.377 1.00 71.51 H new ATOM 0 HB2 HIS A 82 12.566 19.582 -30.599 1.00 23.22 H new ATOM 0 HB3 HIS A 82 11.159 20.279 -31.378 1.00 23.22 H new ATOM 0 HD2 HIS A 82 15.038 20.124 -32.306 1.00 62.32 H new ATOM 0 HE1 HIS A 82 12.705 19.812 -35.826 1.00 2.14 H new ATOM 0 HE2 HIS A 82 15.062 19.813 -34.887 1.00 20.34 H new ATOM 1400 N HIS A 83 13.157 23.910 -31.566 1.00 33.30 N ATOM 1401 CA HIS A 83 13.216 24.990 -32.573 1.00 44.23 C ATOM 1402 C HIS A 83 14.664 25.065 -33.100 1.00 72.42 C ATOM 1403 O HIS A 83 14.964 24.535 -34.174 1.00 5.51 O ATOM 1404 CB HIS A 83 12.750 26.365 -31.997 1.00 74.31 C ATOM 1405 CG HIS A 83 11.273 26.466 -31.688 1.00 33.21 C ATOM 1406 ND1 HIS A 83 10.440 27.358 -32.326 1.00 21.43 N ATOM 1407 CD2 HIS A 83 10.490 25.824 -30.784 1.00 34.50 C ATOM 1408 CE1 HIS A 83 9.225 27.264 -31.831 1.00 32.33 C ATOM 1409 NE2 HIS A 83 9.224 26.341 -30.894 1.00 4.33 N ATOM 0 H HIS A 83 13.879 23.990 -30.850 1.00 33.30 H new ATOM 0 HA HIS A 83 12.527 24.763 -33.386 1.00 44.23 H new ATOM 0 HB2 HIS A 83 13.311 26.567 -31.084 1.00 74.31 H new ATOM 0 HB3 HIS A 83 13.010 27.147 -32.711 1.00 74.31 H new ATOM 0 HD2 HIS A 83 10.806 25.048 -30.103 1.00 34.50 H new ATOM 0 HE1 HIS A 83 8.371 27.847 -32.142 1.00 32.33 H new ATOM 0 HE2 HIS A 83 8.416 26.057 -30.341 1.00 4.33 H new ATOM 1418 N HIS A 84 15.567 25.686 -32.304 1.00 72.41 N ATOM 1419 CA HIS A 84 17.017 25.777 -32.589 1.00 32.51 C ATOM 1420 C HIS A 84 17.762 25.898 -31.238 1.00 21.43 C ATOM 1421 O HIS A 84 17.902 27.029 -30.718 1.00 62.43 O ATOM 1422 CB HIS A 84 17.373 26.975 -33.537 1.00 54.31 C ATOM 1423 CG HIS A 84 16.963 26.787 -34.970 1.00 23.22 C ATOM 1424 ND1 HIS A 84 17.423 25.746 -35.746 1.00 42.13 N ATOM 1425 CD2 HIS A 84 16.109 27.485 -35.757 1.00 10.34 C ATOM 1426 CE1 HIS A 84 16.874 25.808 -36.939 1.00 11.21 C ATOM 1427 NE2 HIS A 84 16.076 26.853 -36.971 1.00 24.24 N ATOM 1428 OXT HIS A 84 18.152 24.857 -30.672 1.00 37.55 O ATOM 0 H HIS A 84 15.303 26.145 -31.432 1.00 72.41 H new ATOM 0 HA HIS A 84 17.329 24.878 -33.120 1.00 32.51 H new ATOM 0 HB2 HIS A 84 16.898 27.878 -33.153 1.00 54.31 H new ATOM 0 HB3 HIS A 84 18.450 27.142 -33.501 1.00 54.31 H new ATOM 0 HD2 HIS A 84 15.559 28.372 -35.479 1.00 10.34 H new ATOM 0 HE1 HIS A 84 17.048 25.119 -37.753 1.00 11.21 H new ATOM 0 HE2 HIS A 84 15.520 27.146 -37.774 1.00 24.24 H new TER 1437 HIS A 84