USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 MET CE :methyl -146:sc= -0.157 (180deg=-0.745) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0413) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 144:sc= 0.252 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 140:sc= -2.29 (180deg=-3.77!) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0.48 (180deg=0.379) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0145) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc=-0.00667 (180deg=-0.166) USER MOD Single : A 28 ASN : amide:sc= -0.0125 K(o=-0.013,f=-0.59) USER MOD Single : A 29 THR OG1 : rot 85:sc= 1.16 USER MOD Single : A 31 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.00069) USER MOD Single : A 32 TYR OH : rot -130:sc= -1.31 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0519 (180deg=-0.286) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= -0.34 (180deg=-2.95!) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.881 K(o=-0.88,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.018) USER MOD Single : A 60 HIS : no HD1:sc= 1.03 K(o=1,f=-4!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.655 -9.142 -1.208 1.00 14.03 N ATOM 2 CA MET A 1 13.354 -9.218 0.242 1.00 71.21 C ATOM 3 C MET A 1 12.034 -9.939 0.475 1.00 64.23 C ATOM 4 O MET A 1 11.982 -10.990 1.117 1.00 70.05 O ATOM 5 CB MET A 1 13.266 -7.815 0.852 1.00 22.24 C ATOM 6 CG MET A 1 14.555 -7.016 0.777 1.00 32.10 C ATOM 7 SD MET A 1 14.416 -5.407 1.587 1.00 2.41 S ATOM 8 CE MET A 1 13.075 -4.677 0.649 1.00 31.52 C ATOM 0 H1 MET A 1 14.604 -8.739 -1.345 1.00 14.03 H new ATOM 0 H2 MET A 1 13.621 -10.096 -1.620 1.00 14.03 H new ATOM 0 H3 MET A 1 12.951 -8.537 -1.677 1.00 14.03 H new ATOM 0 HA MET A 1 14.163 -9.771 0.720 1.00 71.21 H new ATOM 0 HB2 MET A 1 12.478 -7.260 0.343 1.00 22.24 H new ATOM 0 HB3 MET A 1 12.969 -7.904 1.897 1.00 22.24 H new ATOM 0 HG2 MET A 1 15.360 -7.585 1.242 1.00 32.10 H new ATOM 0 HG3 MET A 1 14.829 -6.871 -0.268 1.00 32.10 H new ATOM 0 HE1 MET A 1 13.236 -3.603 0.560 1.00 31.52 H new ATOM 0 HE2 MET A 1 13.042 -5.123 -0.345 1.00 31.52 H new ATOM 0 HE3 MET A 1 12.130 -4.861 1.161 1.00 31.52 H new ATOM 20 N GLY A 2 10.977 -9.368 -0.072 1.00 0.43 N ATOM 21 CA GLY A 2 9.642 -9.873 0.143 1.00 61.04 C ATOM 22 C GLY A 2 8.629 -8.778 -0.078 1.00 25.01 C ATOM 23 O GLY A 2 8.673 -7.749 0.593 1.00 62.00 O ATOM 0 H GLY A 2 11.023 -8.546 -0.674 1.00 0.43 H new ATOM 0 HA2 GLY A 2 9.445 -10.703 -0.536 1.00 61.04 H new ATOM 0 HA3 GLY A 2 9.552 -10.263 1.157 1.00 61.04 H new ATOM 27 N GLU A 3 7.736 -8.978 -1.029 1.00 73.03 N ATOM 28 CA GLU A 3 6.784 -7.943 -1.392 1.00 73.22 C ATOM 29 C GLU A 3 5.457 -8.562 -1.810 1.00 13.04 C ATOM 30 O GLU A 3 5.413 -9.438 -2.678 1.00 54.41 O ATOM 31 CB GLU A 3 7.370 -7.093 -2.520 1.00 24.54 C ATOM 32 CG GLU A 3 6.620 -5.799 -2.787 1.00 73.14 C ATOM 33 CD GLU A 3 7.335 -4.938 -3.804 1.00 53.02 C ATOM 34 OE1 GLU A 3 7.191 -5.200 -5.014 1.00 55.11 O ATOM 35 OE2 GLU A 3 8.066 -4.005 -3.401 1.00 63.44 O ATOM 0 H GLU A 3 7.649 -9.843 -1.562 1.00 73.03 H new ATOM 0 HA GLU A 3 6.595 -7.305 -0.529 1.00 73.22 H new ATOM 0 HB2 GLU A 3 8.406 -6.855 -2.278 1.00 24.54 H new ATOM 0 HB3 GLU A 3 7.384 -7.685 -3.435 1.00 24.54 H new ATOM 0 HG2 GLU A 3 5.616 -6.027 -3.145 1.00 73.14 H new ATOM 0 HG3 GLU A 3 6.508 -5.245 -1.855 1.00 73.14 H new ATOM 42 N LEU A 4 4.388 -8.119 -1.168 1.00 44.24 N ATOM 43 CA LEU A 4 3.049 -8.629 -1.435 1.00 71.01 C ATOM 44 C LEU A 4 2.529 -8.182 -2.799 1.00 70.02 C ATOM 45 O LEU A 4 3.162 -7.388 -3.496 1.00 61.23 O ATOM 46 CB LEU A 4 2.089 -8.172 -0.338 1.00 64.42 C ATOM 47 CG LEU A 4 2.395 -8.708 1.060 1.00 52.50 C ATOM 48 CD1 LEU A 4 1.432 -8.117 2.073 1.00 14.30 C ATOM 49 CD2 LEU A 4 2.323 -10.227 1.081 1.00 41.50 C ATOM 0 H LEU A 4 4.422 -7.397 -0.448 1.00 44.24 H new ATOM 0 HA LEU A 4 3.107 -9.717 -1.444 1.00 71.01 H new ATOM 0 HB2 LEU A 4 2.097 -7.083 -0.302 1.00 64.42 H new ATOM 0 HB3 LEU A 4 1.079 -8.475 -0.613 1.00 64.42 H new ATOM 0 HG LEU A 4 3.409 -8.411 1.328 1.00 52.50 H new ATOM 0 HD11 LEU A 4 1.662 -8.508 3.064 1.00 14.30 H new ATOM 0 HD12 LEU A 4 1.531 -7.032 2.079 1.00 14.30 H new ATOM 0 HD13 LEU A 4 0.411 -8.387 1.804 1.00 14.30 H new ATOM 0 HD21 LEU A 4 2.544 -10.588 2.085 1.00 41.50 H new ATOM 0 HD22 LEU A 4 1.322 -10.548 0.792 1.00 41.50 H new ATOM 0 HD23 LEU A 4 3.051 -10.635 0.380 1.00 41.50 H new ATOM 61 N SER A 5 1.362 -8.689 -3.169 1.00 73.34 N ATOM 62 CA SER A 5 0.790 -8.411 -4.473 1.00 61.54 C ATOM 63 C SER A 5 -0.049 -7.138 -4.451 1.00 25.41 C ATOM 64 O SER A 5 -1.189 -7.140 -3.991 1.00 10.11 O ATOM 65 CB SER A 5 -0.056 -9.596 -4.937 1.00 64.41 C ATOM 66 OG SER A 5 0.723 -10.781 -4.995 1.00 35.51 O ATOM 0 H SER A 5 0.793 -9.297 -2.580 1.00 73.34 H new ATOM 0 HA SER A 5 1.609 -8.258 -5.176 1.00 61.54 H new ATOM 0 HB2 SER A 5 -0.894 -9.740 -4.255 1.00 64.41 H new ATOM 0 HB3 SER A 5 -0.478 -9.385 -5.920 1.00 64.41 H new ATOM 0 HG SER A 5 0.162 -11.527 -5.292 1.00 35.51 H new ATOM 72 N TRP A 6 0.540 -6.051 -4.926 1.00 43.02 N ATOM 73 CA TRP A 6 -0.169 -4.787 -5.076 1.00 22.11 C ATOM 74 C TRP A 6 -1.001 -4.791 -6.356 1.00 14.52 C ATOM 75 O TRP A 6 -0.488 -5.115 -7.430 1.00 45.41 O ATOM 76 CB TRP A 6 0.827 -3.627 -5.118 1.00 2.13 C ATOM 77 CG TRP A 6 1.378 -3.242 -3.776 1.00 73.54 C ATOM 78 CD1 TRP A 6 2.198 -3.982 -2.968 1.00 71.12 C ATOM 79 CD2 TRP A 6 1.159 -2.002 -3.099 1.00 40.20 C ATOM 80 NE1 TRP A 6 2.492 -3.275 -1.825 1.00 14.14 N ATOM 81 CE2 TRP A 6 1.866 -2.059 -1.884 1.00 52.23 C ATOM 82 CE3 TRP A 6 0.431 -0.850 -3.402 1.00 71.21 C ATOM 83 CZ2 TRP A 6 1.865 -1.007 -0.975 1.00 65.24 C ATOM 84 CZ3 TRP A 6 0.430 0.194 -2.498 1.00 33.14 C ATOM 85 CH2 TRP A 6 1.144 0.109 -1.298 1.00 1.14 C ATOM 0 H TRP A 6 1.517 -6.019 -5.217 1.00 43.02 H new ATOM 0 HA TRP A 6 -0.833 -4.662 -4.221 1.00 22.11 H new ATOM 0 HB2 TRP A 6 1.654 -3.896 -5.775 1.00 2.13 H new ATOM 0 HB3 TRP A 6 0.339 -2.759 -5.561 1.00 2.13 H new ATOM 0 HD1 TRP A 6 2.561 -4.974 -3.194 1.00 71.12 H new ATOM 0 HE1 TRP A 6 3.080 -3.603 -1.059 1.00 14.14 H new ATOM 0 HE3 TRP A 6 -0.122 -0.777 -4.327 1.00 71.21 H new ATOM 0 HZ2 TRP A 6 2.414 -1.069 -0.047 1.00 65.24 H new ATOM 0 HZ3 TRP A 6 -0.131 1.090 -2.721 1.00 33.14 H new ATOM 0 HH2 TRP A 6 1.125 0.943 -0.612 1.00 1.14 H new ATOM 96 N THR A 7 -2.277 -4.437 -6.249 1.00 50.32 N ATOM 97 CA THR A 7 -3.140 -4.379 -7.420 1.00 72.53 C ATOM 98 C THR A 7 -3.109 -2.989 -8.048 1.00 4.40 C ATOM 99 O THR A 7 -2.559 -2.045 -7.466 1.00 1.02 O ATOM 100 CB THR A 7 -4.598 -4.759 -7.081 1.00 22.32 C ATOM 101 OG1 THR A 7 -5.158 -3.838 -6.138 1.00 25.31 O ATOM 102 CG2 THR A 7 -4.670 -6.171 -6.520 1.00 12.05 C ATOM 0 H THR A 7 -2.732 -4.188 -5.371 1.00 50.32 H new ATOM 0 HA THR A 7 -2.754 -5.107 -8.133 1.00 72.53 H new ATOM 0 HB THR A 7 -5.176 -4.714 -8.004 1.00 22.32 H new ATOM 0 HG1 THR A 7 -6.105 -3.693 -6.345 1.00 25.31 H new ATOM 0 HG21 THR A 7 -5.706 -6.418 -6.288 1.00 12.05 H new ATOM 0 HG22 THR A 7 -4.285 -6.876 -7.257 1.00 12.05 H new ATOM 0 HG23 THR A 7 -4.070 -6.233 -5.612 1.00 12.05 H new ATOM 110 N ALA A 8 -3.708 -2.865 -9.228 1.00 0.15 N ATOM 111 CA ALA A 8 -3.692 -1.611 -9.972 1.00 4.32 C ATOM 112 C ALA A 8 -4.413 -0.501 -9.216 1.00 63.35 C ATOM 113 O ALA A 8 -4.040 0.667 -9.315 1.00 11.34 O ATOM 114 CB ALA A 8 -4.306 -1.807 -11.348 1.00 42.25 C ATOM 0 H ALA A 8 -4.212 -3.621 -9.691 1.00 0.15 H new ATOM 0 HA ALA A 8 -2.652 -1.306 -10.090 1.00 4.32 H new ATOM 0 HB1 ALA A 8 -4.288 -0.863 -11.892 1.00 42.25 H new ATOM 0 HB2 ALA A 8 -3.735 -2.554 -11.898 1.00 42.25 H new ATOM 0 HB3 ALA A 8 -5.337 -2.144 -11.242 1.00 42.25 H new ATOM 120 N GLU A 9 -5.442 -0.873 -8.461 1.00 33.13 N ATOM 121 CA GLU A 9 -6.184 0.086 -7.647 1.00 1.44 C ATOM 122 C GLU A 9 -5.254 0.759 -6.643 1.00 13.22 C ATOM 123 O GLU A 9 -5.233 1.982 -6.517 1.00 4.43 O ATOM 124 CB GLU A 9 -7.323 -0.591 -6.873 1.00 65.14 C ATOM 125 CG GLU A 9 -8.277 -1.419 -7.716 1.00 72.34 C ATOM 126 CD GLU A 9 -7.708 -2.774 -8.077 1.00 60.41 C ATOM 127 OE1 GLU A 9 -7.696 -3.668 -7.205 1.00 21.33 O ATOM 128 OE2 GLU A 9 -7.252 -2.943 -9.223 1.00 53.34 O ATOM 0 H GLU A 9 -5.782 -1.832 -8.395 1.00 33.13 H new ATOM 0 HA GLU A 9 -6.607 0.825 -8.328 1.00 1.44 H new ATOM 0 HB2 GLU A 9 -6.888 -1.234 -6.108 1.00 65.14 H new ATOM 0 HB3 GLU A 9 -7.896 0.178 -6.355 1.00 65.14 H new ATOM 0 HG2 GLU A 9 -9.212 -1.555 -7.172 1.00 72.34 H new ATOM 0 HG3 GLU A 9 -8.515 -0.874 -8.629 1.00 72.34 H new ATOM 135 N ALA A 10 -4.479 -0.059 -5.941 1.00 12.34 N ATOM 136 CA ALA A 10 -3.586 0.436 -4.906 1.00 45.42 C ATOM 137 C ALA A 10 -2.463 1.271 -5.503 1.00 11.52 C ATOM 138 O ALA A 10 -2.176 2.371 -5.029 1.00 11.12 O ATOM 139 CB ALA A 10 -3.015 -0.726 -4.109 1.00 65.04 C ATOM 0 H ALA A 10 -4.453 -1.070 -6.072 1.00 12.34 H new ATOM 0 HA ALA A 10 -4.161 1.077 -4.238 1.00 45.42 H new ATOM 0 HB1 ALA A 10 -2.348 -0.344 -3.336 1.00 65.04 H new ATOM 0 HB2 ALA A 10 -3.828 -1.282 -3.643 1.00 65.04 H new ATOM 0 HB3 ALA A 10 -2.459 -1.386 -4.775 1.00 65.04 H new ATOM 145 N GLU A 11 -1.846 0.755 -6.558 1.00 13.14 N ATOM 146 CA GLU A 11 -0.733 1.442 -7.200 1.00 55.41 C ATOM 147 C GLU A 11 -1.177 2.751 -7.842 1.00 34.41 C ATOM 148 O GLU A 11 -0.390 3.686 -7.953 1.00 11.22 O ATOM 149 CB GLU A 11 -0.047 0.549 -8.230 1.00 53.52 C ATOM 150 CG GLU A 11 0.601 -0.679 -7.614 1.00 14.03 C ATOM 151 CD GLU A 11 1.724 -1.232 -8.466 1.00 71.45 C ATOM 152 OE1 GLU A 11 1.446 -1.999 -9.405 1.00 41.11 O ATOM 153 OE2 GLU A 11 2.896 -0.897 -8.194 1.00 10.23 O ATOM 0 H GLU A 11 -2.097 -0.136 -6.987 1.00 13.14 H new ATOM 0 HA GLU A 11 -0.011 1.678 -6.418 1.00 55.41 H new ATOM 0 HB2 GLU A 11 -0.779 0.232 -8.973 1.00 53.52 H new ATOM 0 HB3 GLU A 11 0.712 1.128 -8.756 1.00 53.52 H new ATOM 0 HG2 GLU A 11 0.989 -0.425 -6.628 1.00 14.03 H new ATOM 0 HG3 GLU A 11 -0.155 -1.451 -7.470 1.00 14.03 H new ATOM 160 N LYS A 12 -2.429 2.809 -8.280 1.00 52.51 N ATOM 161 CA LYS A 12 -2.998 4.041 -8.828 1.00 70.44 C ATOM 162 C LYS A 12 -2.878 5.188 -7.822 1.00 13.52 C ATOM 163 O LYS A 12 -2.533 6.320 -8.178 1.00 4.42 O ATOM 164 CB LYS A 12 -4.465 3.816 -9.199 1.00 20.43 C ATOM 165 CG LYS A 12 -5.173 5.054 -9.724 1.00 41.41 C ATOM 166 CD LYS A 12 -6.637 4.771 -10.013 1.00 33.43 C ATOM 167 CE LYS A 12 -7.374 6.028 -10.445 1.00 72.11 C ATOM 168 NZ LYS A 12 -8.805 5.760 -10.732 1.00 31.53 N ATOM 0 H LYS A 12 -3.073 2.018 -8.268 1.00 52.51 H new ATOM 0 HA LYS A 12 -2.440 4.313 -9.724 1.00 70.44 H new ATOM 0 HB2 LYS A 12 -4.521 3.032 -9.954 1.00 20.43 H new ATOM 0 HB3 LYS A 12 -4.998 3.451 -8.321 1.00 20.43 H new ATOM 0 HG2 LYS A 12 -5.093 5.859 -8.993 1.00 41.41 H new ATOM 0 HG3 LYS A 12 -4.681 5.399 -10.633 1.00 41.41 H new ATOM 0 HD2 LYS A 12 -6.715 4.016 -10.795 1.00 33.43 H new ATOM 0 HD3 LYS A 12 -7.111 4.358 -9.123 1.00 33.43 H new ATOM 0 HE2 LYS A 12 -7.296 6.782 -9.662 1.00 72.11 H new ATOM 0 HE3 LYS A 12 -6.897 6.441 -11.334 1.00 72.11 H new ATOM 0 HZ1 LYS A 12 -9.272 6.643 -11.023 1.00 31.53 H new ATOM 0 HZ2 LYS A 12 -8.880 5.060 -11.497 1.00 31.53 H new ATOM 0 HZ3 LYS A 12 -9.267 5.390 -9.877 1.00 31.53 H new ATOM 182 N MET A 13 -3.168 4.889 -6.566 1.00 35.14 N ATOM 183 CA MET A 13 -3.044 5.874 -5.501 1.00 64.32 C ATOM 184 C MET A 13 -1.593 5.991 -5.048 1.00 40.35 C ATOM 185 O MET A 13 -1.139 7.061 -4.648 1.00 15.34 O ATOM 186 CB MET A 13 -3.941 5.508 -4.322 1.00 73.41 C ATOM 187 CG MET A 13 -5.425 5.607 -4.639 1.00 15.53 C ATOM 188 SD MET A 13 -6.477 5.221 -3.225 1.00 35.54 S ATOM 189 CE MET A 13 -6.087 3.492 -2.977 1.00 61.53 C ATOM 0 H MET A 13 -3.491 3.972 -6.258 1.00 35.14 H new ATOM 0 HA MET A 13 -3.365 6.840 -5.890 1.00 64.32 H new ATOM 0 HB2 MET A 13 -3.712 4.491 -4.003 1.00 73.41 H new ATOM 0 HB3 MET A 13 -3.712 6.165 -3.483 1.00 73.41 H new ATOM 0 HG2 MET A 13 -5.650 6.615 -4.987 1.00 15.53 H new ATOM 0 HG3 MET A 13 -5.662 4.927 -5.457 1.00 15.53 H new ATOM 0 HE1 MET A 13 -6.019 3.284 -1.909 1.00 61.53 H new ATOM 0 HE2 MET A 13 -6.871 2.875 -3.417 1.00 61.53 H new ATOM 0 HE3 MET A 13 -5.134 3.262 -3.453 1.00 61.53 H new ATOM 199 N LEU A 14 -0.866 4.885 -5.131 1.00 24.43 N ATOM 200 CA LEU A 14 0.544 4.858 -4.756 1.00 21.03 C ATOM 201 C LEU A 14 1.376 5.707 -5.717 1.00 72.31 C ATOM 202 O LEU A 14 2.393 6.276 -5.333 1.00 44.00 O ATOM 203 CB LEU A 14 1.059 3.416 -4.747 1.00 3.51 C ATOM 204 CG LEU A 14 2.505 3.239 -4.285 1.00 24.43 C ATOM 205 CD1 LEU A 14 2.644 3.599 -2.814 1.00 4.33 C ATOM 206 CD2 LEU A 14 2.970 1.816 -4.537 1.00 50.41 C ATOM 0 H LEU A 14 -1.230 3.990 -5.456 1.00 24.43 H new ATOM 0 HA LEU A 14 0.641 5.277 -3.754 1.00 21.03 H new ATOM 0 HB2 LEU A 14 0.414 2.822 -4.100 1.00 3.51 H new ATOM 0 HB3 LEU A 14 0.964 3.008 -5.753 1.00 3.51 H new ATOM 0 HG LEU A 14 3.138 3.914 -4.861 1.00 24.43 H new ATOM 0 HD11 LEU A 14 3.680 3.467 -2.503 1.00 4.33 H new ATOM 0 HD12 LEU A 14 2.350 4.638 -2.664 1.00 4.33 H new ATOM 0 HD13 LEU A 14 2.001 2.951 -2.218 1.00 4.33 H new ATOM 0 HD21 LEU A 14 4.002 1.706 -4.203 1.00 50.41 H new ATOM 0 HD22 LEU A 14 2.334 1.123 -3.987 1.00 50.41 H new ATOM 0 HD23 LEU A 14 2.909 1.597 -5.603 1.00 50.41 H new ATOM 218 N GLY A 15 0.925 5.799 -6.966 1.00 21.53 N ATOM 219 CA GLY A 15 1.618 6.597 -7.966 1.00 60.21 C ATOM 220 C GLY A 15 1.577 8.082 -7.654 1.00 53.21 C ATOM 221 O GLY A 15 2.298 8.875 -8.261 1.00 64.40 O ATOM 0 H GLY A 15 0.085 5.331 -7.306 1.00 21.53 H new ATOM 0 HA2 GLY A 15 2.656 6.271 -8.031 1.00 60.21 H new ATOM 0 HA3 GLY A 15 1.167 6.421 -8.943 1.00 60.21 H new ATOM 225 N LYS A 16 0.730 8.454 -6.705 1.00 24.02 N ATOM 226 CA LYS A 16 0.639 9.836 -6.252 1.00 24.42 C ATOM 227 C LYS A 16 1.761 10.141 -5.271 1.00 32.42 C ATOM 228 O LYS A 16 2.088 11.301 -5.013 1.00 31.32 O ATOM 229 CB LYS A 16 -0.706 10.074 -5.574 1.00 50.13 C ATOM 230 CG LYS A 16 -1.898 9.790 -6.477 1.00 32.12 C ATOM 231 CD LYS A 16 -1.906 10.693 -7.702 1.00 22.54 C ATOM 232 CE LYS A 16 -3.028 10.329 -8.661 1.00 21.51 C ATOM 233 NZ LYS A 16 -2.826 8.990 -9.275 1.00 63.14 N ATOM 0 H LYS A 16 0.092 7.814 -6.231 1.00 24.02 H new ATOM 0 HA LYS A 16 0.730 10.493 -7.117 1.00 24.42 H new ATOM 0 HB2 LYS A 16 -0.774 9.444 -4.687 1.00 50.13 H new ATOM 0 HB3 LYS A 16 -0.755 11.109 -5.235 1.00 50.13 H new ATOM 0 HG2 LYS A 16 -1.874 8.747 -6.794 1.00 32.12 H new ATOM 0 HG3 LYS A 16 -2.821 9.931 -5.915 1.00 32.12 H new ATOM 0 HD2 LYS A 16 -2.018 11.731 -7.388 1.00 22.54 H new ATOM 0 HD3 LYS A 16 -0.948 10.617 -8.217 1.00 22.54 H new ATOM 0 HE2 LYS A 16 -3.979 10.343 -8.128 1.00 21.51 H new ATOM 0 HE3 LYS A 16 -3.091 11.082 -9.447 1.00 21.51 H new ATOM 0 HZ1 LYS A 16 -3.536 8.839 -10.019 1.00 63.14 H new ATOM 0 HZ2 LYS A 16 -1.874 8.938 -9.690 1.00 63.14 H new ATOM 0 HZ3 LYS A 16 -2.926 8.255 -8.546 1.00 63.14 H new ATOM 247 N VAL A 17 2.336 9.085 -4.728 1.00 22.12 N ATOM 248 CA VAL A 17 3.414 9.192 -3.763 1.00 40.43 C ATOM 249 C VAL A 17 4.736 9.477 -4.473 1.00 10.04 C ATOM 250 O VAL A 17 5.069 8.809 -5.454 1.00 35.43 O ATOM 251 CB VAL A 17 3.527 7.884 -2.946 1.00 55.41 C ATOM 252 CG1 VAL A 17 4.704 7.921 -1.984 1.00 64.10 C ATOM 253 CG2 VAL A 17 2.232 7.618 -2.188 1.00 52.10 C ATOM 0 H VAL A 17 2.068 8.125 -4.944 1.00 22.12 H new ATOM 0 HA VAL A 17 3.194 10.017 -3.086 1.00 40.43 H new ATOM 0 HB VAL A 17 3.701 7.070 -3.650 1.00 55.41 H new ATOM 0 HG11 VAL A 17 4.749 6.984 -1.428 1.00 64.10 H new ATOM 0 HG12 VAL A 17 5.629 8.055 -2.545 1.00 64.10 H new ATOM 0 HG13 VAL A 17 4.579 8.750 -1.288 1.00 64.10 H new ATOM 0 HG21 VAL A 17 2.327 6.694 -1.618 1.00 52.10 H new ATOM 0 HG22 VAL A 17 2.032 8.446 -1.507 1.00 52.10 H new ATOM 0 HG23 VAL A 17 1.409 7.524 -2.896 1.00 52.10 H new ATOM 263 N PRO A 18 5.497 10.484 -4.005 1.00 15.53 N ATOM 264 CA PRO A 18 6.798 10.829 -4.591 1.00 43.52 C ATOM 265 C PRO A 18 7.740 9.636 -4.631 1.00 50.04 C ATOM 266 O PRO A 18 7.700 8.768 -3.759 1.00 10.41 O ATOM 267 CB PRO A 18 7.337 11.925 -3.665 1.00 1.21 C ATOM 268 CG PRO A 18 6.131 12.497 -3.008 1.00 41.41 C ATOM 269 CD PRO A 18 5.151 11.365 -2.876 1.00 43.22 C ATOM 0 HA PRO A 18 6.708 11.152 -5.628 1.00 43.52 H new ATOM 0 HB2 PRO A 18 8.031 11.516 -2.930 1.00 1.21 H new ATOM 0 HB3 PRO A 18 7.879 12.686 -4.227 1.00 1.21 H new ATOM 0 HG2 PRO A 18 6.380 12.913 -2.032 1.00 41.41 H new ATOM 0 HG3 PRO A 18 5.711 13.308 -3.603 1.00 41.41 H new ATOM 0 HD2 PRO A 18 5.255 10.853 -1.920 1.00 43.22 H new ATOM 0 HD3 PRO A 18 4.121 11.715 -2.940 1.00 43.22 H new ATOM 277 N PHE A 19 8.588 9.613 -5.646 1.00 54.41 N ATOM 278 CA PHE A 19 9.421 8.458 -5.934 1.00 33.32 C ATOM 279 C PHE A 19 10.382 8.157 -4.792 1.00 43.43 C ATOM 280 O PHE A 19 10.691 7.000 -4.519 1.00 2.11 O ATOM 281 CB PHE A 19 10.201 8.693 -7.227 1.00 55.42 C ATOM 282 CG PHE A 19 10.720 7.432 -7.839 1.00 13.04 C ATOM 283 CD1 PHE A 19 9.838 6.479 -8.306 1.00 73.11 C ATOM 284 CD2 PHE A 19 12.079 7.204 -7.951 1.00 74.41 C ATOM 285 CE1 PHE A 19 10.299 5.310 -8.878 1.00 51.12 C ATOM 286 CE2 PHE A 19 12.551 6.037 -8.521 1.00 63.30 C ATOM 287 CZ PHE A 19 11.659 5.089 -8.986 1.00 52.34 C ATOM 0 H PHE A 19 8.718 10.392 -6.291 1.00 54.41 H new ATOM 0 HA PHE A 19 8.767 7.594 -6.052 1.00 33.32 H new ATOM 0 HB2 PHE A 19 9.557 9.199 -7.946 1.00 55.42 H new ATOM 0 HB3 PHE A 19 11.038 9.361 -7.023 1.00 55.42 H new ATOM 0 HD1 PHE A 19 8.775 6.650 -8.223 1.00 73.11 H new ATOM 0 HD2 PHE A 19 12.778 7.944 -7.590 1.00 74.41 H new ATOM 0 HE1 PHE A 19 9.599 4.571 -9.240 1.00 51.12 H new ATOM 0 HE2 PHE A 19 13.614 5.866 -8.603 1.00 63.30 H new ATOM 0 HZ PHE A 19 12.024 4.176 -9.433 1.00 52.34 H new ATOM 297 N PHE A 20 10.832 9.206 -4.116 1.00 61.40 N ATOM 298 CA PHE A 20 11.797 9.067 -3.033 1.00 1.21 C ATOM 299 C PHE A 20 11.211 8.268 -1.873 1.00 53.44 C ATOM 300 O PHE A 20 11.913 7.500 -1.217 1.00 2.35 O ATOM 301 CB PHE A 20 12.240 10.444 -2.539 1.00 62.21 C ATOM 302 CG PHE A 20 12.716 11.353 -3.636 1.00 1.33 C ATOM 303 CD1 PHE A 20 13.963 11.174 -4.212 1.00 24.22 C ATOM 304 CD2 PHE A 20 11.912 12.381 -4.094 1.00 65.25 C ATOM 305 CE1 PHE A 20 14.400 12.007 -5.224 1.00 30.23 C ATOM 306 CE2 PHE A 20 12.341 13.218 -5.106 1.00 11.51 C ATOM 307 CZ PHE A 20 13.588 13.030 -5.673 1.00 41.24 C ATOM 0 H PHE A 20 10.543 10.167 -4.300 1.00 61.40 H new ATOM 0 HA PHE A 20 12.661 8.528 -3.422 1.00 1.21 H new ATOM 0 HB2 PHE A 20 11.408 10.920 -2.020 1.00 62.21 H new ATOM 0 HB3 PHE A 20 13.040 10.319 -1.810 1.00 62.21 H new ATOM 0 HD1 PHE A 20 14.601 10.374 -3.866 1.00 24.22 H new ATOM 0 HD2 PHE A 20 10.937 12.531 -3.655 1.00 65.25 H new ATOM 0 HE1 PHE A 20 15.375 11.858 -5.663 1.00 30.23 H new ATOM 0 HE2 PHE A 20 11.704 14.018 -5.454 1.00 11.51 H new ATOM 0 HZ PHE A 20 13.926 13.682 -6.465 1.00 41.24 H new ATOM 317 N VAL A 21 9.916 8.435 -1.636 1.00 55.50 N ATOM 318 CA VAL A 21 9.255 7.770 -0.518 1.00 1.15 C ATOM 319 C VAL A 21 8.283 6.698 -1.004 1.00 41.13 C ATOM 320 O VAL A 21 7.496 6.156 -0.225 1.00 51.42 O ATOM 321 CB VAL A 21 8.501 8.781 0.371 1.00 62.41 C ATOM 322 CG1 VAL A 21 9.473 9.778 0.977 1.00 4.33 C ATOM 323 CG2 VAL A 21 7.422 9.505 -0.419 1.00 63.12 C ATOM 0 H VAL A 21 9.303 9.023 -2.201 1.00 55.50 H new ATOM 0 HA VAL A 21 10.037 7.294 0.074 1.00 1.15 H new ATOM 0 HB VAL A 21 8.016 8.229 1.176 1.00 62.41 H new ATOM 0 HG11 VAL A 21 8.927 10.485 1.602 1.00 4.33 H new ATOM 0 HG12 VAL A 21 10.206 9.248 1.585 1.00 4.33 H new ATOM 0 HG13 VAL A 21 9.985 10.318 0.180 1.00 4.33 H new ATOM 0 HG21 VAL A 21 6.907 10.211 0.232 1.00 63.12 H new ATOM 0 HG22 VAL A 21 7.879 10.044 -1.249 1.00 63.12 H new ATOM 0 HG23 VAL A 21 6.706 8.780 -0.806 1.00 63.12 H new ATOM 333 N ARG A 22 8.357 6.384 -2.290 1.00 62.13 N ATOM 334 CA ARG A 22 7.461 5.410 -2.896 1.00 55.41 C ATOM 335 C ARG A 22 7.658 4.032 -2.274 1.00 33.33 C ATOM 336 O ARG A 22 6.695 3.376 -1.870 1.00 74.11 O ATOM 337 CB ARG A 22 7.704 5.339 -4.407 1.00 30.22 C ATOM 338 CG ARG A 22 6.761 4.401 -5.142 1.00 74.42 C ATOM 339 CD ARG A 22 5.373 4.996 -5.297 1.00 10.54 C ATOM 340 NE ARG A 22 5.384 6.220 -6.093 1.00 72.14 N ATOM 341 CZ ARG A 22 5.311 6.253 -7.423 1.00 24.51 C ATOM 342 NH1 ARG A 22 5.243 5.123 -8.118 1.00 75.35 N ATOM 343 NH2 ARG A 22 5.303 7.418 -8.052 1.00 20.23 N ATOM 0 H ARG A 22 9.032 6.792 -2.936 1.00 62.13 H new ATOM 0 HA ARG A 22 6.435 5.729 -2.712 1.00 55.41 H new ATOM 0 HB2 ARG A 22 7.605 6.340 -4.828 1.00 30.22 H new ATOM 0 HB3 ARG A 22 8.730 5.018 -4.585 1.00 30.22 H new ATOM 0 HG2 ARG A 22 7.170 4.174 -6.126 1.00 74.42 H new ATOM 0 HG3 ARG A 22 6.693 3.458 -4.600 1.00 74.42 H new ATOM 0 HD2 ARG A 22 4.716 4.264 -5.768 1.00 10.54 H new ATOM 0 HD3 ARG A 22 4.959 5.209 -4.312 1.00 10.54 H new ATOM 0 HE ARG A 22 5.452 7.109 -5.598 1.00 72.14 H new ATOM 0 HH11 ARG A 22 5.247 4.225 -7.634 1.00 75.35 H new ATOM 0 HH12 ARG A 22 5.187 5.153 -9.136 1.00 75.35 H new ATOM 0 HH21 ARG A 22 5.353 8.286 -7.519 1.00 20.23 H new ATOM 0 HH22 ARG A 22 5.247 7.448 -9.070 1.00 20.23 H new ATOM 357 N LYS A 23 8.913 3.607 -2.189 1.00 10.15 N ATOM 358 CA LYS A 23 9.252 2.308 -1.627 1.00 13.02 C ATOM 359 C LYS A 23 8.955 2.287 -0.133 1.00 13.24 C ATOM 360 O LYS A 23 8.569 1.258 0.422 1.00 4.45 O ATOM 361 CB LYS A 23 10.727 1.997 -1.886 1.00 51.53 C ATOM 362 CG LYS A 23 11.182 0.644 -1.364 1.00 13.41 C ATOM 363 CD LYS A 23 12.669 0.440 -1.601 1.00 20.52 C ATOM 364 CE LYS A 23 13.149 -0.901 -1.070 1.00 74.03 C ATOM 365 NZ LYS A 23 14.619 -1.058 -1.218 1.00 22.41 N ATOM 0 H LYS A 23 9.717 4.149 -2.505 1.00 10.15 H new ATOM 0 HA LYS A 23 8.644 1.542 -2.109 1.00 13.02 H new ATOM 0 HB2 LYS A 23 10.912 2.040 -2.959 1.00 51.53 H new ATOM 0 HB3 LYS A 23 11.336 2.775 -1.426 1.00 51.53 H new ATOM 0 HG2 LYS A 23 10.967 0.571 -0.298 1.00 13.41 H new ATOM 0 HG3 LYS A 23 10.619 -0.148 -1.858 1.00 13.41 H new ATOM 0 HD2 LYS A 23 12.878 0.504 -2.669 1.00 20.52 H new ATOM 0 HD3 LYS A 23 13.227 1.242 -1.118 1.00 20.52 H new ATOM 0 HE2 LYS A 23 12.877 -0.994 -0.018 1.00 74.03 H new ATOM 0 HE3 LYS A 23 12.642 -1.706 -1.603 1.00 74.03 H new ATOM 0 HZ1 LYS A 23 14.908 -1.985 -0.845 1.00 22.41 H new ATOM 0 HZ2 LYS A 23 14.875 -0.994 -2.224 1.00 22.41 H new ATOM 0 HZ3 LYS A 23 15.104 -0.305 -0.689 1.00 22.41 H new ATOM 379 N LYS A 24 9.120 3.444 0.502 1.00 0.11 N ATOM 380 CA LYS A 24 8.815 3.603 1.920 1.00 3.11 C ATOM 381 C LYS A 24 7.372 3.205 2.183 1.00 52.44 C ATOM 382 O LYS A 24 7.095 2.398 3.065 1.00 13.30 O ATOM 383 CB LYS A 24 9.060 5.060 2.347 1.00 2.24 C ATOM 384 CG LYS A 24 8.966 5.328 3.851 1.00 53.54 C ATOM 385 CD LYS A 24 7.535 5.554 4.314 1.00 73.44 C ATOM 386 CE LYS A 24 7.483 6.294 5.645 1.00 21.35 C ATOM 387 NZ LYS A 24 8.177 5.560 6.738 1.00 75.14 N ATOM 0 H LYS A 24 9.466 4.291 0.052 1.00 0.11 H new ATOM 0 HA LYS A 24 9.468 2.955 2.505 1.00 3.11 H new ATOM 0 HB2 LYS A 24 10.050 5.360 2.003 1.00 2.24 H new ATOM 0 HB3 LYS A 24 8.338 5.697 1.836 1.00 2.24 H new ATOM 0 HG2 LYS A 24 9.391 4.484 4.394 1.00 53.54 H new ATOM 0 HG3 LYS A 24 9.567 6.203 4.099 1.00 53.54 H new ATOM 0 HD2 LYS A 24 6.994 6.125 3.559 1.00 73.44 H new ATOM 0 HD3 LYS A 24 7.028 4.594 4.411 1.00 73.44 H new ATOM 0 HE2 LYS A 24 7.938 7.277 5.527 1.00 21.35 H new ATOM 0 HE3 LYS A 24 6.442 6.456 5.925 1.00 21.35 H new ATOM 0 HZ1 LYS A 24 8.039 6.064 7.637 1.00 75.14 H new ATOM 0 HZ2 LYS A 24 7.784 4.600 6.816 1.00 75.14 H new ATOM 0 HZ3 LYS A 24 9.194 5.502 6.526 1.00 75.14 H new ATOM 401 N VAL A 25 6.461 3.760 1.396 1.00 14.42 N ATOM 402 CA VAL A 25 5.044 3.481 1.559 1.00 1.53 C ATOM 403 C VAL A 25 4.707 2.081 1.054 1.00 50.42 C ATOM 404 O VAL A 25 3.942 1.355 1.687 1.00 11.22 O ATOM 405 CB VAL A 25 4.177 4.520 0.817 1.00 14.21 C ATOM 406 CG1 VAL A 25 2.698 4.247 1.039 1.00 34.41 C ATOM 407 CG2 VAL A 25 4.532 5.927 1.269 1.00 5.05 C ATOM 0 H VAL A 25 6.680 4.407 0.638 1.00 14.42 H new ATOM 0 HA VAL A 25 4.822 3.541 2.624 1.00 1.53 H new ATOM 0 HB VAL A 25 4.382 4.436 -0.250 1.00 14.21 H new ATOM 0 HG11 VAL A 25 2.107 4.992 0.507 1.00 34.41 H new ATOM 0 HG12 VAL A 25 2.451 3.253 0.665 1.00 34.41 H new ATOM 0 HG13 VAL A 25 2.474 4.300 2.104 1.00 34.41 H new ATOM 0 HG21 VAL A 25 3.912 6.648 0.736 1.00 5.05 H new ATOM 0 HG22 VAL A 25 4.357 6.020 2.341 1.00 5.05 H new ATOM 0 HG23 VAL A 25 5.582 6.124 1.055 1.00 5.05 H new ATOM 417 N ARG A 26 5.296 1.699 -0.072 1.00 74.44 N ATOM 418 CA ARG A 26 5.024 0.396 -0.678 1.00 61.04 C ATOM 419 C ARG A 26 5.366 -0.730 0.301 1.00 33.22 C ATOM 420 O ARG A 26 4.558 -1.626 0.541 1.00 73.02 O ATOM 421 CB ARG A 26 5.826 0.234 -1.976 1.00 73.32 C ATOM 422 CG ARG A 26 5.182 -0.700 -2.991 1.00 30.22 C ATOM 423 CD ARG A 26 6.044 -0.840 -4.237 1.00 21.22 C ATOM 424 NE ARG A 26 5.271 -1.270 -5.405 1.00 13.10 N ATOM 425 CZ ARG A 26 5.755 -2.051 -6.372 1.00 61.21 C ATOM 426 NH1 ARG A 26 6.959 -2.595 -6.254 1.00 25.21 N ATOM 427 NH2 ARG A 26 5.026 -2.304 -7.451 1.00 21.52 N ATOM 0 H ARG A 26 5.966 2.271 -0.586 1.00 74.44 H new ATOM 0 HA ARG A 26 3.962 0.339 -0.915 1.00 61.04 H new ATOM 0 HB2 ARG A 26 5.959 1.214 -2.433 1.00 73.32 H new ATOM 0 HB3 ARG A 26 6.820 -0.141 -1.732 1.00 73.32 H new ATOM 0 HG2 ARG A 26 5.028 -1.680 -2.540 1.00 30.22 H new ATOM 0 HG3 ARG A 26 4.199 -0.319 -3.267 1.00 30.22 H new ATOM 0 HD2 ARG A 26 6.523 0.115 -4.453 1.00 21.22 H new ATOM 0 HD3 ARG A 26 6.840 -1.560 -4.046 1.00 21.22 H new ATOM 0 HE ARG A 26 4.305 -0.953 -5.483 1.00 13.10 H new ATOM 0 HH11 ARG A 26 7.520 -2.417 -5.421 1.00 25.21 H new ATOM 0 HH12 ARG A 26 7.324 -3.191 -6.997 1.00 25.21 H new ATOM 0 HH21 ARG A 26 4.093 -1.901 -7.542 1.00 21.52 H new ATOM 0 HH22 ARG A 26 5.398 -2.901 -8.189 1.00 21.52 H new ATOM 441 N LYS A 27 6.556 -0.651 0.880 1.00 61.23 N ATOM 442 CA LYS A 27 7.022 -1.639 1.848 1.00 4.11 C ATOM 443 C LYS A 27 6.255 -1.514 3.165 1.00 35.00 C ATOM 444 O LYS A 27 6.065 -2.492 3.886 1.00 44.50 O ATOM 445 CB LYS A 27 8.524 -1.468 2.094 1.00 44.05 C ATOM 446 CG LYS A 27 9.139 -2.573 2.941 1.00 63.22 C ATOM 447 CD LYS A 27 10.643 -2.401 3.084 1.00 11.11 C ATOM 448 CE LYS A 27 11.002 -1.176 3.912 1.00 51.41 C ATOM 449 NZ LYS A 27 10.573 -1.316 5.329 1.00 72.24 N ATOM 0 H LYS A 27 7.225 0.096 0.694 1.00 61.23 H new ATOM 0 HA LYS A 27 6.840 -2.633 1.439 1.00 4.11 H new ATOM 0 HB2 LYS A 27 9.038 -1.431 1.133 1.00 44.05 H new ATOM 0 HB3 LYS A 27 8.695 -0.510 2.584 1.00 44.05 H new ATOM 0 HG2 LYS A 27 8.677 -2.574 3.928 1.00 63.22 H new ATOM 0 HG3 LYS A 27 8.925 -3.541 2.488 1.00 63.22 H new ATOM 0 HD2 LYS A 27 11.067 -3.290 3.551 1.00 11.11 H new ATOM 0 HD3 LYS A 27 11.093 -2.315 2.095 1.00 11.11 H new ATOM 0 HE2 LYS A 27 12.079 -1.016 3.874 1.00 51.41 H new ATOM 0 HE3 LYS A 27 10.533 -0.294 3.477 1.00 51.41 H new ATOM 0 HZ1 LYS A 27 11.022 -0.574 5.903 1.00 72.24 H new ATOM 0 HZ2 LYS A 27 9.539 -1.222 5.390 1.00 72.24 H new ATOM 0 HZ3 LYS A 27 10.858 -2.250 5.687 1.00 72.24 H new ATOM 463 N ASN A 28 5.814 -0.302 3.474 1.00 24.31 N ATOM 464 CA ASN A 28 5.171 -0.022 4.753 1.00 32.13 C ATOM 465 C ASN A 28 3.785 -0.639 4.776 1.00 35.21 C ATOM 466 O ASN A 28 3.387 -1.261 5.754 1.00 51.40 O ATOM 467 CB ASN A 28 5.104 1.492 4.985 1.00 33.44 C ATOM 468 CG ASN A 28 4.504 1.888 6.318 1.00 63.41 C ATOM 469 OD1 ASN A 28 4.476 1.107 7.270 1.00 55.23 O ATOM 470 ND2 ASN A 28 4.068 3.133 6.407 1.00 74.44 N ATOM 0 H ASN A 28 5.890 0.506 2.855 1.00 24.31 H new ATOM 0 HA ASN A 28 5.757 -0.463 5.559 1.00 32.13 H new ATOM 0 HB2 ASN A 28 6.111 1.904 4.915 1.00 33.44 H new ATOM 0 HB3 ASN A 28 4.518 1.945 4.186 1.00 33.44 H new ATOM 0 HD21 ASN A 28 3.690 3.479 7.289 1.00 74.44 H new ATOM 0 HD22 ASN A 28 4.109 3.747 5.594 1.00 74.44 H new ATOM 477 N THR A 29 3.071 -0.487 3.675 1.00 72.24 N ATOM 478 CA THR A 29 1.769 -1.103 3.524 1.00 34.52 C ATOM 479 C THR A 29 1.919 -2.607 3.355 1.00 50.34 C ATOM 480 O THR A 29 1.044 -3.373 3.740 1.00 71.30 O ATOM 481 CB THR A 29 1.044 -0.566 2.299 1.00 52.42 C ATOM 482 OG1 THR A 29 1.381 0.812 2.091 1.00 51.10 O ATOM 483 CG2 THR A 29 -0.453 -0.707 2.454 1.00 22.04 C ATOM 0 H THR A 29 3.375 0.061 2.870 1.00 72.24 H new ATOM 0 HA THR A 29 1.194 -0.871 4.420 1.00 34.52 H new ATOM 0 HB THR A 29 1.360 -1.150 1.434 1.00 52.42 H new ATOM 0 HG1 THR A 29 2.214 0.871 1.579 1.00 51.10 H new ATOM 0 HG21 THR A 29 -0.949 -0.316 1.566 1.00 22.04 H new ATOM 0 HG22 THR A 29 -0.708 -1.759 2.579 1.00 22.04 H new ATOM 0 HG23 THR A 29 -0.782 -0.147 3.329 1.00 22.04 H new ATOM 491 N ASP A 30 3.029 -3.015 2.748 1.00 23.31 N ATOM 492 CA ASP A 30 3.365 -4.427 2.641 1.00 50.31 C ATOM 493 C ASP A 30 3.425 -5.037 4.033 1.00 35.12 C ATOM 494 O ASP A 30 2.732 -6.008 4.335 1.00 74.41 O ATOM 495 CB ASP A 30 4.708 -4.605 1.925 1.00 41.11 C ATOM 496 CG ASP A 30 5.227 -6.023 2.010 1.00 32.25 C ATOM 497 OD1 ASP A 30 5.828 -6.374 3.047 1.00 13.45 O ATOM 498 OD2 ASP A 30 5.037 -6.788 1.047 1.00 3.21 O ATOM 0 H ASP A 30 3.710 -2.386 2.323 1.00 23.31 H new ATOM 0 HA ASP A 30 2.597 -4.935 2.057 1.00 50.31 H new ATOM 0 HB2 ASP A 30 4.597 -4.324 0.878 1.00 41.11 H new ATOM 0 HB3 ASP A 30 5.441 -3.927 2.361 1.00 41.11 H new ATOM 503 N ASN A 31 4.231 -4.425 4.891 1.00 41.23 N ATOM 504 CA ASN A 31 4.344 -4.850 6.280 1.00 45.11 C ATOM 505 C ASN A 31 3.017 -4.654 7.002 1.00 74.22 C ATOM 506 O ASN A 31 2.716 -5.358 7.968 1.00 43.25 O ATOM 507 CB ASN A 31 5.443 -4.065 7.005 1.00 5.10 C ATOM 508 CG ASN A 31 6.857 -4.499 6.640 1.00 11.44 C ATOM 509 OD1 ASN A 31 7.775 -4.382 7.453 1.00 61.54 O ATOM 510 ND2 ASN A 31 7.054 -4.989 5.424 1.00 44.53 N ATOM 0 H ASN A 31 4.819 -3.628 4.647 1.00 41.23 H new ATOM 0 HA ASN A 31 4.607 -5.908 6.287 1.00 45.11 H new ATOM 0 HB2 ASN A 31 5.329 -3.005 6.777 1.00 5.10 H new ATOM 0 HB3 ASN A 31 5.306 -4.176 8.081 1.00 5.10 H new ATOM 0 HD21 ASN A 31 7.988 -5.283 5.138 1.00 44.53 H new ATOM 0 HD22 ASN A 31 6.272 -5.073 4.775 1.00 44.53 H new ATOM 517 N TYR A 32 2.219 -3.703 6.523 1.00 53.13 N ATOM 518 CA TYR A 32 0.922 -3.424 7.122 1.00 43.44 C ATOM 519 C TYR A 32 -0.067 -4.538 6.792 1.00 32.15 C ATOM 520 O TYR A 32 -0.787 -5.029 7.662 1.00 4.21 O ATOM 521 CB TYR A 32 0.388 -2.067 6.635 1.00 52.40 C ATOM 522 CG TYR A 32 -1.016 -1.766 7.100 1.00 61.44 C ATOM 523 CD1 TYR A 32 -1.256 -1.314 8.390 1.00 10.12 C ATOM 524 CD2 TYR A 32 -2.100 -1.942 6.252 1.00 41.02 C ATOM 525 CE1 TYR A 32 -2.540 -1.051 8.823 1.00 10.20 C ATOM 526 CE2 TYR A 32 -3.386 -1.679 6.678 1.00 33.24 C ATOM 527 CZ TYR A 32 -3.601 -1.233 7.965 1.00 20.01 C ATOM 528 OH TYR A 32 -4.882 -0.980 8.398 1.00 75.22 O ATOM 0 H TYR A 32 2.450 -3.115 5.722 1.00 53.13 H new ATOM 0 HA TYR A 32 1.042 -3.379 8.204 1.00 43.44 H new ATOM 0 HB2 TYR A 32 1.054 -1.278 6.984 1.00 52.40 H new ATOM 0 HB3 TYR A 32 0.413 -2.046 5.545 1.00 52.40 H new ATOM 0 HD1 TYR A 32 -0.426 -1.166 9.065 1.00 10.12 H new ATOM 0 HD2 TYR A 32 -1.935 -2.290 5.243 1.00 41.02 H new ATOM 0 HE1 TYR A 32 -2.712 -0.704 9.831 1.00 10.20 H new ATOM 0 HE2 TYR A 32 -4.220 -1.822 6.007 1.00 33.24 H new ATOM 0 HH TYR A 32 -5.457 -1.744 8.182 1.00 75.22 H new ATOM 538 N ALA A 33 -0.079 -4.939 5.534 1.00 11.12 N ATOM 539 CA ALA A 33 -0.988 -5.968 5.063 1.00 34.51 C ATOM 540 C ALA A 33 -0.662 -7.322 5.686 1.00 11.44 C ATOM 541 O ALA A 33 -1.560 -8.106 5.980 1.00 64.23 O ATOM 542 CB ALA A 33 -0.946 -6.043 3.548 1.00 22.14 C ATOM 0 H ALA A 33 0.537 -4.563 4.813 1.00 11.12 H new ATOM 0 HA ALA A 33 -1.999 -5.702 5.372 1.00 34.51 H new ATOM 0 HB1 ALA A 33 -1.631 -6.818 3.203 1.00 22.14 H new ATOM 0 HB2 ALA A 33 -1.243 -5.082 3.128 1.00 22.14 H new ATOM 0 HB3 ALA A 33 0.066 -6.283 3.224 1.00 22.14 H new ATOM 548 N ARG A 34 0.619 -7.592 5.903 1.00 70.45 N ATOM 549 CA ARG A 34 1.030 -8.824 6.572 1.00 74.22 C ATOM 550 C ARG A 34 0.523 -8.836 8.003 1.00 62.33 C ATOM 551 O ARG A 34 0.212 -9.889 8.558 1.00 3.21 O ATOM 552 CB ARG A 34 2.551 -8.973 6.570 1.00 53.40 C ATOM 553 CG ARG A 34 3.144 -8.890 5.184 1.00 31.50 C ATOM 554 CD ARG A 34 4.643 -9.128 5.179 1.00 73.22 C ATOM 555 NE ARG A 34 5.220 -8.798 3.880 1.00 2.42 N ATOM 556 CZ ARG A 34 5.625 -9.694 2.985 1.00 43.23 C ATOM 557 NH1 ARG A 34 5.615 -10.992 3.270 1.00 33.24 N ATOM 558 NH2 ARG A 34 6.049 -9.287 1.799 1.00 72.42 N ATOM 0 H ARG A 34 1.388 -6.981 5.629 1.00 70.45 H new ATOM 0 HA ARG A 34 0.599 -9.661 6.023 1.00 74.22 H new ATOM 0 HB2 ARG A 34 2.989 -8.195 7.195 1.00 53.40 H new ATOM 0 HB3 ARG A 34 2.819 -9.930 7.018 1.00 53.40 H new ATOM 0 HG2 ARG A 34 2.660 -9.625 4.541 1.00 31.50 H new ATOM 0 HG3 ARG A 34 2.934 -7.908 4.760 1.00 31.50 H new ATOM 0 HD2 ARG A 34 5.114 -8.523 5.954 1.00 73.22 H new ATOM 0 HD3 ARG A 34 4.850 -10.171 5.419 1.00 73.22 H new ATOM 0 HE ARG A 34 5.320 -7.811 3.642 1.00 2.42 H new ATOM 0 HH11 ARG A 34 5.294 -11.311 4.184 1.00 33.24 H new ATOM 0 HH12 ARG A 34 5.928 -11.669 2.575 1.00 33.24 H new ATOM 0 HH21 ARG A 34 6.064 -8.292 1.577 1.00 72.42 H new ATOM 0 HH22 ARG A 34 6.361 -9.969 1.107 1.00 72.42 H new ATOM 572 N GLU A 35 0.425 -7.651 8.588 1.00 23.41 N ATOM 573 CA GLU A 35 -0.001 -7.519 9.965 1.00 4.43 C ATOM 574 C GLU A 35 -1.506 -7.762 10.094 1.00 52.34 C ATOM 575 O GLU A 35 -1.961 -8.392 11.047 1.00 31.50 O ATOM 576 CB GLU A 35 0.363 -6.135 10.508 1.00 13.10 C ATOM 577 CG GLU A 35 0.050 -5.955 11.985 1.00 61.05 C ATOM 578 CD GLU A 35 0.432 -4.586 12.500 1.00 41.23 C ATOM 579 OE1 GLU A 35 1.597 -4.403 12.914 1.00 35.01 O ATOM 580 OE2 GLU A 35 -0.429 -3.685 12.504 1.00 50.43 O ATOM 0 H GLU A 35 0.636 -6.767 8.125 1.00 23.41 H new ATOM 0 HA GLU A 35 0.519 -8.273 10.555 1.00 4.43 H new ATOM 0 HB2 GLU A 35 1.427 -5.960 10.347 1.00 13.10 H new ATOM 0 HB3 GLU A 35 -0.174 -5.378 9.937 1.00 13.10 H new ATOM 0 HG2 GLU A 35 -1.016 -6.116 12.149 1.00 61.05 H new ATOM 0 HG3 GLU A 35 0.579 -6.715 12.560 1.00 61.05 H new ATOM 587 N ILE A 36 -2.274 -7.268 9.130 1.00 24.35 N ATOM 588 CA ILE A 36 -3.723 -7.439 9.156 1.00 13.10 C ATOM 589 C ILE A 36 -4.129 -8.794 8.580 1.00 61.51 C ATOM 590 O ILE A 36 -5.233 -9.278 8.828 1.00 54.54 O ATOM 591 CB ILE A 36 -4.455 -6.314 8.390 1.00 61.32 C ATOM 592 CG1 ILE A 36 -4.021 -6.286 6.920 1.00 12.04 C ATOM 593 CG2 ILE A 36 -4.191 -4.969 9.054 1.00 10.24 C ATOM 594 CD1 ILE A 36 -4.739 -5.247 6.085 1.00 72.42 C ATOM 0 H ILE A 36 -1.922 -6.749 8.326 1.00 24.35 H new ATOM 0 HA ILE A 36 -4.021 -7.390 10.203 1.00 13.10 H new ATOM 0 HB ILE A 36 -5.526 -6.514 8.421 1.00 61.32 H new ATOM 0 HG12 ILE A 36 -2.948 -6.098 6.872 1.00 12.04 H new ATOM 0 HG13 ILE A 36 -4.192 -7.270 6.483 1.00 12.04 H new ATOM 0 HG21 ILE A 36 -4.712 -4.184 8.506 1.00 10.24 H new ATOM 0 HG22 ILE A 36 -4.552 -4.994 10.082 1.00 10.24 H new ATOM 0 HG23 ILE A 36 -3.120 -4.765 9.050 1.00 10.24 H new ATOM 0 HD11 ILE A 36 -4.376 -5.291 5.058 1.00 72.42 H new ATOM 0 HD12 ILE A 36 -5.811 -5.446 6.100 1.00 72.42 H new ATOM 0 HD13 ILE A 36 -4.548 -4.255 6.495 1.00 72.42 H new ATOM 606 N GLY A 37 -3.230 -9.402 7.815 1.00 5.13 N ATOM 607 CA GLY A 37 -3.499 -10.712 7.253 1.00 50.20 C ATOM 608 C GLY A 37 -4.069 -10.638 5.848 1.00 63.43 C ATOM 609 O GLY A 37 -5.070 -11.291 5.538 1.00 12.21 O ATOM 0 H GLY A 37 -2.319 -9.011 7.574 1.00 5.13 H new ATOM 0 HA2 GLY A 37 -2.577 -11.293 7.237 1.00 50.20 H new ATOM 0 HA3 GLY A 37 -4.199 -11.243 7.898 1.00 50.20 H new ATOM 613 N GLU A 38 -3.431 -9.844 5.002 1.00 72.33 N ATOM 614 CA GLU A 38 -3.863 -9.672 3.623 1.00 5.15 C ATOM 615 C GLU A 38 -2.661 -9.742 2.681 1.00 73.20 C ATOM 616 O GLU A 38 -1.806 -8.862 2.697 1.00 12.22 O ATOM 617 CB GLU A 38 -4.571 -8.324 3.469 1.00 31.24 C ATOM 618 CG GLU A 38 -5.057 -8.043 2.060 1.00 74.10 C ATOM 619 CD GLU A 38 -6.228 -8.914 1.656 1.00 22.31 C ATOM 620 OE1 GLU A 38 -6.014 -10.102 1.335 1.00 62.41 O ATOM 621 OE2 GLU A 38 -7.370 -8.411 1.650 1.00 50.14 O ATOM 0 H GLU A 38 -2.603 -9.303 5.250 1.00 72.33 H new ATOM 0 HA GLU A 38 -4.556 -10.473 3.365 1.00 5.15 H new ATOM 0 HB2 GLU A 38 -5.422 -8.292 4.150 1.00 31.24 H new ATOM 0 HB3 GLU A 38 -3.889 -7.530 3.773 1.00 31.24 H new ATOM 0 HG2 GLU A 38 -5.347 -6.995 1.983 1.00 74.10 H new ATOM 0 HG3 GLU A 38 -4.236 -8.199 1.360 1.00 74.10 H new ATOM 628 N PRO A 39 -2.566 -10.801 1.864 1.00 11.45 N ATOM 629 CA PRO A 39 -1.464 -10.961 0.913 1.00 73.12 C ATOM 630 C PRO A 39 -1.654 -10.138 -0.362 1.00 11.44 C ATOM 631 O PRO A 39 -0.701 -9.904 -1.111 1.00 10.41 O ATOM 632 CB PRO A 39 -1.502 -12.454 0.597 1.00 34.14 C ATOM 633 CG PRO A 39 -2.931 -12.848 0.767 1.00 22.04 C ATOM 634 CD PRO A 39 -3.507 -11.938 1.822 1.00 55.32 C ATOM 0 HA PRO A 39 -0.516 -10.613 1.324 1.00 73.12 H new ATOM 0 HB2 PRO A 39 -1.156 -12.652 -0.418 1.00 34.14 H new ATOM 0 HB3 PRO A 39 -0.855 -13.017 1.270 1.00 34.14 H new ATOM 0 HG2 PRO A 39 -3.475 -12.746 -0.172 1.00 22.04 H new ATOM 0 HG3 PRO A 39 -3.012 -13.892 1.070 1.00 22.04 H new ATOM 0 HD2 PRO A 39 -4.515 -11.613 1.562 1.00 55.32 H new ATOM 0 HD3 PRO A 39 -3.572 -12.438 2.788 1.00 55.32 H new ATOM 642 N VAL A 40 -2.884 -9.704 -0.608 1.00 5.22 N ATOM 643 CA VAL A 40 -3.198 -8.941 -1.807 1.00 53.45 C ATOM 644 C VAL A 40 -3.575 -7.512 -1.444 1.00 65.02 C ATOM 645 O VAL A 40 -4.674 -7.256 -0.948 1.00 13.13 O ATOM 646 CB VAL A 40 -4.357 -9.583 -2.601 1.00 73.43 C ATOM 647 CG1 VAL A 40 -4.597 -8.838 -3.906 1.00 21.05 C ATOM 648 CG2 VAL A 40 -4.077 -11.054 -2.871 1.00 44.40 C ATOM 0 H VAL A 40 -3.680 -9.868 0.008 1.00 5.22 H new ATOM 0 HA VAL A 40 -2.305 -8.940 -2.433 1.00 53.45 H new ATOM 0 HB VAL A 40 -5.260 -9.511 -1.995 1.00 73.43 H new ATOM 0 HG11 VAL A 40 -5.418 -9.308 -4.448 1.00 21.05 H new ATOM 0 HG12 VAL A 40 -4.852 -7.800 -3.691 1.00 21.05 H new ATOM 0 HG13 VAL A 40 -3.694 -8.871 -4.515 1.00 21.05 H new ATOM 0 HG21 VAL A 40 -4.907 -11.485 -3.431 1.00 44.40 H new ATOM 0 HG22 VAL A 40 -3.159 -11.149 -3.451 1.00 44.40 H new ATOM 0 HG23 VAL A 40 -3.965 -11.583 -1.924 1.00 44.40 H new ATOM 658 N VAL A 41 -2.664 -6.586 -1.695 1.00 51.14 N ATOM 659 CA VAL A 41 -2.879 -5.190 -1.350 1.00 24.54 C ATOM 660 C VAL A 41 -3.777 -4.511 -2.381 1.00 72.22 C ATOM 661 O VAL A 41 -3.323 -4.120 -3.459 1.00 43.43 O ATOM 662 CB VAL A 41 -1.546 -4.414 -1.236 1.00 53.23 C ATOM 663 CG1 VAL A 41 -1.793 -2.984 -0.776 1.00 31.41 C ATOM 664 CG2 VAL A 41 -0.586 -5.120 -0.289 1.00 72.34 C ATOM 0 H VAL A 41 -1.765 -6.777 -2.138 1.00 51.14 H new ATOM 0 HA VAL A 41 -3.368 -5.174 -0.376 1.00 24.54 H new ATOM 0 HB VAL A 41 -1.089 -4.384 -2.225 1.00 53.23 H new ATOM 0 HG11 VAL A 41 -0.842 -2.456 -0.702 1.00 31.41 H new ATOM 0 HG12 VAL A 41 -2.435 -2.476 -1.495 1.00 31.41 H new ATOM 0 HG13 VAL A 41 -2.279 -2.994 0.200 1.00 31.41 H new ATOM 0 HG21 VAL A 41 0.344 -4.555 -0.226 1.00 72.34 H new ATOM 0 HG22 VAL A 41 -1.037 -5.189 0.701 1.00 72.34 H new ATOM 0 HG23 VAL A 41 -0.377 -6.122 -0.663 1.00 72.34 H new ATOM 674 N THR A 42 -5.057 -4.403 -2.052 1.00 11.31 N ATOM 675 CA THR A 42 -6.013 -3.727 -2.910 1.00 44.13 C ATOM 676 C THR A 42 -6.159 -2.263 -2.497 1.00 64.44 C ATOM 677 O THR A 42 -5.447 -1.793 -1.605 1.00 41.51 O ATOM 678 CB THR A 42 -7.387 -4.426 -2.868 1.00 21.15 C ATOM 679 OG1 THR A 42 -7.756 -4.712 -1.509 1.00 60.44 O ATOM 680 CG2 THR A 42 -7.368 -5.712 -3.681 1.00 11.44 C ATOM 0 H THR A 42 -5.456 -4.778 -1.192 1.00 11.31 H new ATOM 0 HA THR A 42 -5.636 -3.772 -3.932 1.00 44.13 H new ATOM 0 HB THR A 42 -8.124 -3.753 -3.306 1.00 21.15 H new ATOM 0 HG1 THR A 42 -8.630 -5.154 -1.494 1.00 60.44 H new ATOM 0 HG21 THR A 42 -8.349 -6.186 -3.635 1.00 11.44 H new ATOM 0 HG22 THR A 42 -7.124 -5.483 -4.718 1.00 11.44 H new ATOM 0 HG23 THR A 42 -6.618 -6.390 -3.273 1.00 11.44 H new ATOM 688 N ALA A 43 -7.081 -1.550 -3.137 1.00 1.22 N ATOM 689 CA ALA A 43 -7.280 -0.130 -2.871 1.00 30.32 C ATOM 690 C ALA A 43 -7.681 0.113 -1.421 1.00 71.40 C ATOM 691 O ALA A 43 -7.112 0.971 -0.747 1.00 75.42 O ATOM 692 CB ALA A 43 -8.334 0.442 -3.806 1.00 11.41 C ATOM 0 H ALA A 43 -7.704 -1.935 -3.847 1.00 1.22 H new ATOM 0 HA ALA A 43 -6.332 0.377 -3.049 1.00 30.32 H new ATOM 0 HB1 ALA A 43 -8.471 1.503 -3.595 1.00 11.41 H new ATOM 0 HB2 ALA A 43 -8.010 0.317 -4.839 1.00 11.41 H new ATOM 0 HB3 ALA A 43 -9.277 -0.083 -3.655 1.00 11.41 H new ATOM 698 N ASP A 44 -8.652 -0.656 -0.945 1.00 54.15 N ATOM 699 CA ASP A 44 -9.147 -0.497 0.418 1.00 72.22 C ATOM 700 C ASP A 44 -8.052 -0.817 1.427 1.00 65.40 C ATOM 701 O ASP A 44 -7.912 -0.136 2.438 1.00 72.23 O ATOM 702 CB ASP A 44 -10.373 -1.382 0.667 1.00 74.24 C ATOM 703 CG ASP A 44 -11.010 -1.117 2.018 1.00 33.00 C ATOM 704 OD1 ASP A 44 -11.630 -0.043 2.189 1.00 3.52 O ATOM 705 OD2 ASP A 44 -10.891 -1.972 2.919 1.00 21.55 O ATOM 0 H ASP A 44 -9.111 -1.393 -1.479 1.00 54.15 H new ATOM 0 HA ASP A 44 -9.447 0.543 0.545 1.00 72.22 H new ATOM 0 HB2 ASP A 44 -11.108 -1.210 -0.119 1.00 74.24 H new ATOM 0 HB3 ASP A 44 -10.080 -2.430 0.605 1.00 74.24 H new ATOM 710 N VAL A 45 -7.257 -1.839 1.128 1.00 64.32 N ATOM 711 CA VAL A 45 -6.154 -2.235 1.998 1.00 52.21 C ATOM 712 C VAL A 45 -5.104 -1.128 2.074 1.00 30.02 C ATOM 713 O VAL A 45 -4.564 -0.842 3.144 1.00 22.15 O ATOM 714 CB VAL A 45 -5.498 -3.546 1.510 1.00 63.12 C ATOM 715 CG1 VAL A 45 -4.314 -3.924 2.383 1.00 4.44 C ATOM 716 CG2 VAL A 45 -6.520 -4.673 1.488 1.00 1.33 C ATOM 0 H VAL A 45 -7.356 -2.409 0.288 1.00 64.32 H new ATOM 0 HA VAL A 45 -6.565 -2.405 2.993 1.00 52.21 H new ATOM 0 HB VAL A 45 -5.132 -3.383 0.496 1.00 63.12 H new ATOM 0 HG11 VAL A 45 -3.872 -4.850 2.016 1.00 4.44 H new ATOM 0 HG12 VAL A 45 -3.569 -3.129 2.350 1.00 4.44 H new ATOM 0 HG13 VAL A 45 -4.650 -4.064 3.410 1.00 4.44 H new ATOM 0 HG21 VAL A 45 -6.043 -5.590 1.142 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -6.915 -4.826 2.492 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -7.335 -4.412 0.814 1.00 1.33 H new ATOM 726 N PHE A 46 -4.832 -0.493 0.940 1.00 20.43 N ATOM 727 CA PHE A 46 -3.884 0.612 0.896 1.00 63.03 C ATOM 728 C PHE A 46 -4.426 1.814 1.663 1.00 52.53 C ATOM 729 O PHE A 46 -3.691 2.485 2.392 1.00 41.42 O ATOM 730 CB PHE A 46 -3.578 1.001 -0.553 1.00 34.52 C ATOM 731 CG PHE A 46 -2.636 2.167 -0.681 1.00 63.43 C ATOM 732 CD1 PHE A 46 -1.345 2.090 -0.185 1.00 43.41 C ATOM 733 CD2 PHE A 46 -3.042 3.337 -1.300 1.00 41.02 C ATOM 734 CE1 PHE A 46 -0.478 3.159 -0.304 1.00 31.44 C ATOM 735 CE2 PHE A 46 -2.179 4.409 -1.423 1.00 30.13 C ATOM 736 CZ PHE A 46 -0.895 4.320 -0.924 1.00 3.11 C ATOM 0 H PHE A 46 -5.254 -0.724 0.041 1.00 20.43 H new ATOM 0 HA PHE A 46 -2.958 0.287 1.371 1.00 63.03 H new ATOM 0 HB2 PHE A 46 -3.149 0.141 -1.068 1.00 34.52 H new ATOM 0 HB3 PHE A 46 -4.512 1.243 -1.060 1.00 34.52 H new ATOM 0 HD1 PHE A 46 -1.012 1.184 0.300 1.00 43.41 H new ATOM 0 HD2 PHE A 46 -4.046 3.413 -1.692 1.00 41.02 H new ATOM 0 HE1 PHE A 46 0.526 3.087 0.088 1.00 31.44 H new ATOM 0 HE2 PHE A 46 -2.509 5.315 -1.909 1.00 30.13 H new ATOM 0 HZ PHE A 46 -0.218 5.156 -1.018 1.00 3.11 H new ATOM 746 N ARG A 47 -5.718 2.082 1.505 1.00 24.03 N ATOM 747 CA ARG A 47 -6.343 3.196 2.203 1.00 63.44 C ATOM 748 C ARG A 47 -6.388 2.924 3.703 1.00 62.44 C ATOM 749 O ARG A 47 -6.309 3.854 4.502 1.00 25.25 O ATOM 750 CB ARG A 47 -7.745 3.492 1.660 1.00 41.23 C ATOM 751 CG ARG A 47 -8.336 4.781 2.216 1.00 73.11 C ATOM 752 CD ARG A 47 -9.610 5.191 1.494 1.00 72.15 C ATOM 753 NE ARG A 47 -10.114 6.476 1.983 1.00 30.34 N ATOM 754 CZ ARG A 47 -10.916 7.282 1.287 1.00 22.54 C ATOM 755 NH1 ARG A 47 -11.354 6.925 0.088 1.00 41.24 N ATOM 756 NH2 ARG A 47 -11.291 8.449 1.798 1.00 31.15 N ATOM 0 H ARG A 47 -6.347 1.548 0.905 1.00 24.03 H new ATOM 0 HA ARG A 47 -5.734 4.083 2.026 1.00 63.44 H new ATOM 0 HB2 ARG A 47 -7.702 3.557 0.573 1.00 41.23 H new ATOM 0 HB3 ARG A 47 -8.406 2.660 1.903 1.00 41.23 H new ATOM 0 HG2 ARG A 47 -8.548 4.653 3.277 1.00 73.11 H new ATOM 0 HG3 ARG A 47 -7.600 5.581 2.132 1.00 73.11 H new ATOM 0 HD2 ARG A 47 -9.417 5.258 0.423 1.00 72.15 H new ATOM 0 HD3 ARG A 47 -10.371 4.424 1.633 1.00 72.15 H new ATOM 0 HE ARG A 47 -9.833 6.774 2.917 1.00 30.34 H new ATOM 0 HH11 ARG A 47 -11.078 6.027 -0.309 1.00 41.24 H new ATOM 0 HH12 ARG A 47 -11.967 7.548 -0.437 1.00 41.24 H new ATOM 0 HH21 ARG A 47 -10.965 8.729 2.723 1.00 31.15 H new ATOM 0 HH22 ARG A 47 -11.905 9.065 1.265 1.00 31.15 H new ATOM 770 N LYS A 48 -6.499 1.649 4.079 1.00 52.42 N ATOM 771 CA LYS A 48 -6.406 1.255 5.483 1.00 3.13 C ATOM 772 C LYS A 48 -5.107 1.769 6.086 1.00 72.24 C ATOM 773 O LYS A 48 -5.097 2.364 7.163 1.00 71.44 O ATOM 774 CB LYS A 48 -6.439 -0.268 5.640 1.00 30.33 C ATOM 775 CG LYS A 48 -7.798 -0.910 5.445 1.00 20.34 C ATOM 776 CD LYS A 48 -7.706 -2.414 5.654 1.00 60.34 C ATOM 777 CE LYS A 48 -9.067 -3.089 5.588 1.00 44.42 C ATOM 778 NZ LYS A 48 -9.998 -2.569 6.624 1.00 31.04 N ATOM 0 H LYS A 48 -6.653 0.875 3.433 1.00 52.42 H new ATOM 0 HA LYS A 48 -7.264 1.687 5.999 1.00 3.13 H new ATOM 0 HB2 LYS A 48 -5.743 -0.706 4.925 1.00 30.33 H new ATOM 0 HB3 LYS A 48 -6.075 -0.522 6.635 1.00 30.33 H new ATOM 0 HG2 LYS A 48 -8.514 -0.482 6.146 1.00 20.34 H new ATOM 0 HG3 LYS A 48 -8.168 -0.697 4.442 1.00 20.34 H new ATOM 0 HD2 LYS A 48 -7.052 -2.845 4.896 1.00 60.34 H new ATOM 0 HD3 LYS A 48 -7.249 -2.617 6.622 1.00 60.34 H new ATOM 0 HE2 LYS A 48 -9.501 -2.934 4.600 1.00 44.42 H new ATOM 0 HE3 LYS A 48 -8.945 -4.164 5.717 1.00 44.42 H new ATOM 0 HZ1 LYS A 48 -10.809 -3.213 6.717 1.00 31.04 H new ATOM 0 HZ2 LYS A 48 -9.502 -2.504 7.536 1.00 31.04 H new ATOM 0 HZ3 LYS A 48 -10.335 -1.625 6.346 1.00 31.04 H new ATOM 792 N ALA A 49 -4.012 1.542 5.372 1.00 72.30 N ATOM 793 CA ALA A 49 -2.703 1.991 5.814 1.00 65.34 C ATOM 794 C ALA A 49 -2.663 3.506 5.922 1.00 52.41 C ATOM 795 O ALA A 49 -2.181 4.052 6.905 1.00 34.32 O ATOM 796 CB ALA A 49 -1.622 1.499 4.871 1.00 4.24 C ATOM 0 H ALA A 49 -4.007 1.047 4.480 1.00 72.30 H new ATOM 0 HA ALA A 49 -2.516 1.571 6.802 1.00 65.34 H new ATOM 0 HB1 ALA A 49 -0.649 1.846 5.220 1.00 4.24 H new ATOM 0 HB2 ALA A 49 -1.630 0.409 4.845 1.00 4.24 H new ATOM 0 HB3 ALA A 49 -1.808 1.887 3.870 1.00 4.24 H new ATOM 802 N LYS A 50 -3.198 4.184 4.917 1.00 2.14 N ATOM 803 CA LYS A 50 -3.203 5.643 4.899 1.00 73.44 C ATOM 804 C LYS A 50 -4.101 6.208 5.997 1.00 51.33 C ATOM 805 O LYS A 50 -3.870 7.313 6.482 1.00 61.10 O ATOM 806 CB LYS A 50 -3.663 6.161 3.531 1.00 53.51 C ATOM 807 CG LYS A 50 -2.761 5.749 2.374 1.00 41.50 C ATOM 808 CD LYS A 50 -1.661 6.772 2.074 1.00 72.14 C ATOM 809 CE LYS A 50 -0.695 6.967 3.238 1.00 11.12 C ATOM 810 NZ LYS A 50 -1.197 7.967 4.223 1.00 44.34 N ATOM 0 H LYS A 50 -3.634 3.750 4.104 1.00 2.14 H new ATOM 0 HA LYS A 50 -2.183 5.980 5.084 1.00 73.44 H new ATOM 0 HB2 LYS A 50 -4.672 5.798 3.338 1.00 53.51 H new ATOM 0 HB3 LYS A 50 -3.717 7.249 3.566 1.00 53.51 H new ATOM 0 HG2 LYS A 50 -2.302 4.788 2.604 1.00 41.50 H new ATOM 0 HG3 LYS A 50 -3.369 5.606 1.481 1.00 41.50 H new ATOM 0 HD2 LYS A 50 -1.102 6.449 1.195 1.00 72.14 H new ATOM 0 HD3 LYS A 50 -2.120 7.729 1.826 1.00 72.14 H new ATOM 0 HE2 LYS A 50 -0.536 6.013 3.740 1.00 11.12 H new ATOM 0 HE3 LYS A 50 0.273 7.291 2.855 1.00 11.12 H new ATOM 0 HZ1 LYS A 50 -0.528 8.761 4.283 1.00 44.34 H new ATOM 0 HZ2 LYS A 50 -2.126 8.319 3.917 1.00 44.34 H new ATOM 0 HZ3 LYS A 50 -1.287 7.519 5.157 1.00 44.34 H new ATOM 824 N GLU A 51 -5.121 5.449 6.365 1.00 52.02 N ATOM 825 CA GLU A 51 -6.010 5.814 7.459 1.00 43.35 C ATOM 826 C GLU A 51 -5.289 5.631 8.793 1.00 30.02 C ATOM 827 O GLU A 51 -5.491 6.391 9.743 1.00 63.03 O ATOM 828 CB GLU A 51 -7.267 4.940 7.403 1.00 3.51 C ATOM 829 CG GLU A 51 -8.287 5.243 8.486 1.00 3.53 C ATOM 830 CD GLU A 51 -9.470 4.296 8.445 1.00 2.51 C ATOM 831 OE1 GLU A 51 -9.377 3.196 9.031 1.00 10.12 O ATOM 832 OE2 GLU A 51 -10.502 4.649 7.836 1.00 33.35 O ATOM 0 H GLU A 51 -5.357 4.564 5.915 1.00 52.02 H new ATOM 0 HA GLU A 51 -6.301 6.860 7.364 1.00 43.35 H new ATOM 0 HB2 GLU A 51 -7.740 5.066 6.429 1.00 3.51 H new ATOM 0 HB3 GLU A 51 -6.972 3.894 7.481 1.00 3.51 H new ATOM 0 HG2 GLU A 51 -7.807 5.178 9.462 1.00 3.53 H new ATOM 0 HG3 GLU A 51 -8.641 6.268 8.372 1.00 3.53 H new ATOM 839 N HIS A 52 -4.437 4.614 8.835 1.00 71.00 N ATOM 840 CA HIS A 52 -3.658 4.292 10.022 1.00 55.15 C ATOM 841 C HIS A 52 -2.470 5.248 10.161 1.00 74.32 C ATOM 842 O HIS A 52 -2.058 5.593 11.271 1.00 21.02 O ATOM 843 CB HIS A 52 -3.173 2.840 9.926 1.00 24.41 C ATOM 844 CG HIS A 52 -2.592 2.289 11.194 1.00 44.54 C ATOM 845 ND1 HIS A 52 -3.287 1.440 12.025 1.00 11.15 N ATOM 846 CD2 HIS A 52 -1.368 2.436 11.750 1.00 31.11 C ATOM 847 CE1 HIS A 52 -2.516 1.092 13.038 1.00 30.11 C ATOM 848 NE2 HIS A 52 -1.344 1.681 12.896 1.00 54.22 N ATOM 0 H HIS A 52 -4.267 3.990 8.046 1.00 71.00 H new ATOM 0 HA HIS A 52 -4.284 4.406 10.907 1.00 55.15 H new ATOM 0 HB2 HIS A 52 -4.010 2.211 9.622 1.00 24.41 H new ATOM 0 HB3 HIS A 52 -2.422 2.773 9.139 1.00 24.41 H new ATOM 0 HD2 HIS A 52 -0.558 3.037 11.363 1.00 31.11 H new ATOM 0 HE1 HIS A 52 -2.797 0.435 13.848 1.00 30.11 H new ATOM 0 HE2 HIS A 52 -0.552 1.590 13.532 1.00 54.22 H new ATOM 857 N LEU A 53 -1.924 5.665 9.027 1.00 2.41 N ATOM 858 CA LEU A 53 -0.800 6.589 9.004 1.00 45.15 C ATOM 859 C LEU A 53 -0.961 7.629 7.901 1.00 40.21 C ATOM 860 O LEU A 53 -0.730 7.343 6.726 1.00 34.24 O ATOM 861 CB LEU A 53 0.524 5.832 8.847 1.00 64.01 C ATOM 862 CG LEU A 53 0.481 4.553 8.006 1.00 35.02 C ATOM 863 CD1 LEU A 53 1.038 4.784 6.610 1.00 53.32 C ATOM 864 CD2 LEU A 53 1.244 3.455 8.717 1.00 14.20 C ATOM 0 H LEU A 53 -2.245 5.375 8.104 1.00 2.41 H new ATOM 0 HA LEU A 53 -0.783 7.115 9.958 1.00 45.15 H new ATOM 0 HB2 LEU A 53 1.254 6.509 8.403 1.00 64.01 H new ATOM 0 HB3 LEU A 53 0.891 5.575 9.841 1.00 64.01 H new ATOM 0 HG LEU A 53 -0.559 4.249 7.889 1.00 35.02 H new ATOM 0 HD11 LEU A 53 0.992 3.855 6.042 1.00 53.32 H new ATOM 0 HD12 LEU A 53 0.448 5.548 6.105 1.00 53.32 H new ATOM 0 HD13 LEU A 53 2.074 5.114 6.682 1.00 53.32 H new ATOM 0 HD21 LEU A 53 1.214 2.544 8.119 1.00 14.20 H new ATOM 0 HD22 LEU A 53 2.280 3.763 8.856 1.00 14.20 H new ATOM 0 HD23 LEU A 53 0.788 3.266 9.689 1.00 14.20 H new ATOM 876 N GLY A 54 -1.381 8.830 8.280 1.00 20.25 N ATOM 877 CA GLY A 54 -1.523 9.907 7.320 1.00 71.22 C ATOM 878 C GLY A 54 -0.191 10.336 6.741 1.00 5.34 C ATOM 879 O GLY A 54 0.006 10.302 5.521 1.00 31.22 O ATOM 0 H GLY A 54 -1.626 9.077 9.239 1.00 20.25 H new ATOM 0 HA2 GLY A 54 -2.182 9.587 6.513 1.00 71.22 H new ATOM 0 HA3 GLY A 54 -2.000 10.761 7.802 1.00 71.22 H new ATOM 883 N GLY A 55 0.720 10.746 7.614 1.00 34.24 N ATOM 884 CA GLY A 55 2.058 11.108 7.189 1.00 62.12 C ATOM 885 C GLY A 55 2.162 12.565 6.795 1.00 54.45 C ATOM 886 O GLY A 55 2.875 13.340 7.428 1.00 15.33 O ATOM 0 H GLY A 55 0.554 10.835 8.616 1.00 34.24 H new ATOM 0 HA2 GLY A 55 2.761 10.901 7.996 1.00 62.12 H new ATOM 0 HA3 GLY A 55 2.350 10.484 6.344 1.00 62.12 H new ATOM 890 N LEU A 56 1.448 12.936 5.743 1.00 1.20 N ATOM 891 CA LEU A 56 1.457 14.310 5.257 1.00 64.52 C ATOM 892 C LEU A 56 0.132 14.989 5.570 1.00 13.12 C ATOM 893 O LEU A 56 0.102 16.064 6.165 1.00 73.30 O ATOM 894 CB LEU A 56 1.721 14.343 3.752 1.00 5.30 C ATOM 895 CG LEU A 56 3.061 13.747 3.310 1.00 24.13 C ATOM 896 CD1 LEU A 56 3.189 13.787 1.797 1.00 33.53 C ATOM 897 CD2 LEU A 56 4.222 14.487 3.963 1.00 20.24 C ATOM 0 H LEU A 56 0.853 12.304 5.207 1.00 1.20 H new ATOM 0 HA LEU A 56 2.257 14.850 5.763 1.00 64.52 H new ATOM 0 HB2 LEU A 56 0.919 13.805 3.247 1.00 5.30 H new ATOM 0 HB3 LEU A 56 1.673 15.378 3.414 1.00 5.30 H new ATOM 0 HG LEU A 56 3.094 12.706 3.632 1.00 24.13 H new ATOM 0 HD11 LEU A 56 4.147 13.360 1.501 1.00 33.53 H new ATOM 0 HD12 LEU A 56 2.380 13.210 1.348 1.00 33.53 H new ATOM 0 HD13 LEU A 56 3.131 14.820 1.454 1.00 33.53 H new ATOM 0 HD21 LEU A 56 5.164 14.047 3.635 1.00 20.24 H new ATOM 0 HD22 LEU A 56 4.192 15.538 3.675 1.00 20.24 H new ATOM 0 HD23 LEU A 56 4.141 14.406 5.047 1.00 20.24 H new ATOM 909 N GLU A 57 -0.958 14.350 5.142 1.00 43.25 N ATOM 910 CA GLU A 57 -2.318 14.813 5.434 1.00 21.20 C ATOM 911 C GLU A 57 -2.623 16.173 4.809 1.00 13.13 C ATOM 912 O GLU A 57 -3.478 16.910 5.303 1.00 23.45 O ATOM 913 CB GLU A 57 -2.563 14.864 6.944 1.00 72.14 C ATOM 914 CG GLU A 57 -2.647 13.494 7.591 1.00 40.13 C ATOM 915 CD GLU A 57 -3.042 13.572 9.047 1.00 43.24 C ATOM 916 OE1 GLU A 57 -4.057 14.230 9.355 1.00 43.31 O ATOM 917 OE2 GLU A 57 -2.337 12.987 9.895 1.00 24.14 O ATOM 0 H GLU A 57 -0.924 13.497 4.583 1.00 43.25 H new ATOM 0 HA GLU A 57 -2.995 14.088 4.983 1.00 21.20 H new ATOM 0 HB2 GLU A 57 -1.760 15.431 7.415 1.00 72.14 H new ATOM 0 HB3 GLU A 57 -3.490 15.405 7.135 1.00 72.14 H new ATOM 0 HG2 GLU A 57 -3.372 12.884 7.052 1.00 40.13 H new ATOM 0 HG3 GLU A 57 -1.682 12.994 7.505 1.00 40.13 H new ATOM 924 N HIS A 58 -1.957 16.499 3.710 1.00 42.23 N ATOM 925 CA HIS A 58 -2.275 17.722 2.989 1.00 73.14 C ATOM 926 C HIS A 58 -3.498 17.479 2.109 1.00 33.24 C ATOM 927 O HIS A 58 -3.660 16.387 1.557 1.00 50.30 O ATOM 928 CB HIS A 58 -1.077 18.240 2.170 1.00 12.41 C ATOM 929 CG HIS A 58 -0.618 17.344 1.057 1.00 53.23 C ATOM 930 ND1 HIS A 58 -1.005 17.509 -0.253 1.00 11.23 N ATOM 931 CD2 HIS A 58 0.244 16.302 1.059 1.00 30.11 C ATOM 932 CE1 HIS A 58 -0.407 16.608 -1.005 1.00 71.31 C ATOM 933 NE2 HIS A 58 0.364 15.860 -0.238 1.00 33.14 N ATOM 0 H HIS A 58 -1.205 15.943 3.303 1.00 42.23 H new ATOM 0 HA HIS A 58 -2.505 18.505 3.712 1.00 73.14 H new ATOM 0 HB2 HIS A 58 -1.341 19.209 1.747 1.00 12.41 H new ATOM 0 HB3 HIS A 58 -0.240 18.405 2.848 1.00 12.41 H new ATOM 0 HD2 HIS A 58 0.747 15.891 1.922 1.00 30.11 H new ATOM 0 HE1 HIS A 58 -0.528 16.499 -2.073 1.00 71.31 H new ATOM 0 HE2 HIS A 58 0.949 15.086 -0.553 1.00 33.14 H new ATOM 942 N HIS A 59 -4.356 18.486 1.996 1.00 21.40 N ATOM 943 CA HIS A 59 -5.670 18.319 1.374 1.00 32.24 C ATOM 944 C HIS A 59 -5.578 17.931 -0.101 1.00 61.41 C ATOM 945 O HIS A 59 -4.655 18.333 -0.812 1.00 72.51 O ATOM 946 CB HIS A 59 -6.526 19.589 1.533 1.00 10.11 C ATOM 947 CG HIS A 59 -5.928 20.837 0.954 1.00 52.51 C ATOM 948 ND1 HIS A 59 -5.473 21.878 1.730 1.00 64.05 N ATOM 949 CD2 HIS A 59 -5.725 21.214 -0.331 1.00 42.13 C ATOM 950 CE1 HIS A 59 -5.021 22.842 0.950 1.00 43.13 C ATOM 951 NE2 HIS A 59 -5.161 22.463 -0.307 1.00 31.23 N ATOM 0 H HIS A 59 -4.167 19.432 2.328 1.00 21.40 H new ATOM 0 HA HIS A 59 -6.154 17.495 1.899 1.00 32.24 H new ATOM 0 HB2 HIS A 59 -7.494 19.417 1.063 1.00 10.11 H new ATOM 0 HB3 HIS A 59 -6.712 19.753 2.595 1.00 10.11 H new ATOM 0 HD2 HIS A 59 -5.964 20.637 -1.212 1.00 42.13 H new ATOM 0 HE1 HIS A 59 -4.607 23.782 1.284 1.00 43.13 H new ATOM 0 HE2 HIS A 59 -4.893 23.010 -1.125 1.00 31.23 H new ATOM 960 N HIS A 60 -6.546 17.143 -0.545 1.00 63.12 N ATOM 961 CA HIS A 60 -6.627 16.733 -1.938 1.00 74.32 C ATOM 962 C HIS A 60 -8.071 16.386 -2.295 1.00 53.24 C ATOM 963 O HIS A 60 -8.496 15.242 -2.153 1.00 55.25 O ATOM 964 CB HIS A 60 -5.710 15.533 -2.206 1.00 20.32 C ATOM 965 CG HIS A 60 -5.584 15.180 -3.658 1.00 3.12 C ATOM 966 ND1 HIS A 60 -4.475 15.490 -4.407 1.00 5.13 N ATOM 967 CD2 HIS A 60 -6.430 14.535 -4.495 1.00 41.55 C ATOM 968 CE1 HIS A 60 -4.642 15.055 -5.640 1.00 55.34 C ATOM 969 NE2 HIS A 60 -5.823 14.471 -5.723 1.00 11.11 N ATOM 0 H HIS A 60 -7.291 16.773 0.045 1.00 63.12 H new ATOM 0 HA HIS A 60 -6.295 17.561 -2.564 1.00 74.32 H new ATOM 0 HB2 HIS A 60 -4.719 15.749 -1.807 1.00 20.32 H new ATOM 0 HB3 HIS A 60 -6.091 14.668 -1.663 1.00 20.32 H new ATOM 0 HD2 HIS A 60 -7.404 14.143 -4.242 1.00 41.55 H new ATOM 0 HE1 HIS A 60 -3.932 15.159 -6.447 1.00 55.34 H new ATOM 0 HE2 HIS A 60 -6.218 14.044 -6.561 1.00 11.11 H new ATOM 978 N HIS A 61 -8.827 17.388 -2.715 1.00 65.50 N ATOM 979 CA HIS A 61 -10.217 17.189 -3.113 1.00 74.54 C ATOM 980 C HIS A 61 -10.411 17.484 -4.591 1.00 43.01 C ATOM 981 O HIS A 61 -10.043 18.564 -5.063 1.00 53.14 O ATOM 982 CB HIS A 61 -11.153 18.076 -2.288 1.00 15.23 C ATOM 983 CG HIS A 61 -11.405 17.578 -0.902 1.00 10.02 C ATOM 984 ND1 HIS A 61 -12.649 17.188 -0.465 1.00 21.13 N ATOM 985 CD2 HIS A 61 -10.572 17.416 0.152 1.00 25.13 C ATOM 986 CE1 HIS A 61 -12.574 16.811 0.795 1.00 14.55 C ATOM 987 NE2 HIS A 61 -11.325 16.938 1.195 1.00 34.11 N ATOM 0 H HIS A 61 -8.502 18.352 -2.790 1.00 65.50 H new ATOM 0 HA HIS A 61 -10.462 16.143 -2.928 1.00 74.54 H new ATOM 0 HB2 HIS A 61 -10.728 19.078 -2.230 1.00 15.23 H new ATOM 0 HB3 HIS A 61 -12.106 18.163 -2.810 1.00 15.23 H new ATOM 0 HD2 HIS A 61 -9.512 17.624 0.169 1.00 25.13 H new ATOM 0 HE1 HIS A 61 -13.397 16.458 1.398 1.00 14.55 H new ATOM 0 HE2 HIS A 61 -10.975 16.717 2.127 1.00 34.11 H new ATOM 996 N HIS A 62 -10.991 16.516 -5.303 1.00 63.35 N ATOM 997 CA HIS A 62 -11.312 16.644 -6.726 1.00 51.30 C ATOM 998 C HIS A 62 -10.052 16.708 -7.586 1.00 74.23 C ATOM 999 O HIS A 62 -9.270 17.651 -7.498 1.00 32.13 O ATOM 1000 CB HIS A 62 -12.210 17.862 -6.986 1.00 64.24 C ATOM 1001 CG HIS A 62 -13.618 17.681 -6.502 1.00 64.44 C ATOM 1002 ND1 HIS A 62 -14.140 18.349 -5.415 1.00 13.33 N ATOM 1003 CD2 HIS A 62 -14.617 16.897 -6.968 1.00 13.40 C ATOM 1004 CE1 HIS A 62 -15.393 17.981 -5.235 1.00 52.21 C ATOM 1005 NE2 HIS A 62 -15.709 17.101 -6.163 1.00 61.32 N ATOM 0 H HIS A 62 -11.253 15.614 -4.905 1.00 63.35 H new ATOM 0 HA HIS A 62 -11.863 15.748 -7.013 1.00 51.30 H new ATOM 0 HB2 HIS A 62 -11.776 18.735 -6.498 1.00 64.24 H new ATOM 0 HB3 HIS A 62 -12.226 18.070 -8.056 1.00 64.24 H new ATOM 0 HD2 HIS A 62 -14.565 16.232 -7.818 1.00 13.40 H new ATOM 0 HE1 HIS A 62 -16.050 18.341 -4.457 1.00 52.21 H new ATOM 0 HE2 HIS A 62 -16.616 16.646 -6.266 1.00 61.32 H new ATOM 1014 N HIS A 63 -9.883 15.690 -8.431 1.00 2.52 N ATOM 1015 CA HIS A 63 -8.710 15.560 -9.300 1.00 32.23 C ATOM 1016 C HIS A 63 -7.463 15.318 -8.462 1.00 72.24 C ATOM 1017 O HIS A 63 -7.340 14.213 -7.892 1.00 39.03 O ATOM 1018 CB HIS A 63 -8.509 16.795 -10.194 1.00 21.14 C ATOM 1019 CG HIS A 63 -9.619 17.034 -11.169 1.00 12.33 C ATOM 1020 ND1 HIS A 63 -9.626 16.505 -12.442 1.00 25.45 N ATOM 1021 CD2 HIS A 63 -10.758 17.758 -11.060 1.00 75.13 C ATOM 1022 CE1 HIS A 63 -10.719 16.895 -13.071 1.00 64.53 C ATOM 1023 NE2 HIS A 63 -11.423 17.655 -12.256 1.00 74.22 N ATOM 1024 OXT HIS A 63 -6.611 16.226 -8.375 1.00 39.03 O ATOM 0 H HIS A 63 -10.556 14.931 -8.533 1.00 2.52 H new ATOM 0 HA HIS A 63 -8.884 14.706 -9.955 1.00 32.23 H new ATOM 0 HB2 HIS A 63 -8.402 17.675 -9.560 1.00 21.14 H new ATOM 0 HB3 HIS A 63 -7.575 16.683 -10.744 1.00 21.14 H new ATOM 0 HD2 HIS A 63 -11.083 18.314 -10.193 1.00 75.13 H new ATOM 0 HE1 HIS A 63 -10.991 16.635 -14.083 1.00 64.53 H new ATOM 0 HE2 HIS A 63 -12.316 18.095 -12.478 1.00 74.22 H new TER 1033 HIS A 63