USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 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 60 SER OG : rot 180:sc= -0.301 USER MOD Set 1.2: A 61 ASN :FLIP amide:sc= -1.54! C(o=-3.1!,f=-1.8!) USER MOD Set 2.1: A 8 SER OG : rot 119:sc= -3.87! USER MOD Set 2.2: A 23 CYS SG : rot -100:sc= -2.36 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -1.53 F(o=-4.2!,f=-1.7) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.213 K(o=-1.7,f=-3) USER MOD Set 4.1: A 5 HIS :FLIP no HE2:sc= -2.13 F(o=-7.7!,f=-3.7) USER MOD Set 4.2: A 94 SER OG : rot -119:sc= -1.57 USER MOD Single : A 3 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 7 SER OG : rot 67:sc= 0.0785 USER MOD Single : A 17 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -6.15! C(o=-6.1!,f=-8.1!) USER MOD Single : A 25 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.5!) USER MOD Single : A 33 SER OG : rot -94:sc= -1.28 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 92:sc= 0.712 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.49! C(o=-6.5!,f=-16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.531 F(o=-1.6,f=-0.53) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.9) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.728 X(o=-0.73,f=-0.37) USER MOD Single : A 92 ASN : amide:sc= -6.73! C(o=-6.7!,f=-13!) USER MOD Single : A 99 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.5!) USER MOD Single : A 101 CYS SG : rot -48:sc= -0.304 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.679 -8.600 -4.212 1.00 0.00 N ATOM 21 CA GLY A 2 -5.237 -7.283 -3.968 1.00 0.00 C ATOM 22 C GLY A 2 -5.816 -6.658 -5.215 1.00 0.00 C ATOM 23 O GLY A 2 -5.391 -5.588 -5.651 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.015 -7.357 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.460 -6.632 -3.567 1.00 0.00 H new ATOM 27 N ASN A 3 -6.809 -7.331 -5.769 1.00 0.00 N ATOM 28 CA ASN A 3 -7.501 -6.866 -6.959 1.00 0.00 C ATOM 29 C ASN A 3 -8.162 -5.512 -6.715 1.00 0.00 C ATOM 30 O ASN A 3 -8.585 -4.845 -7.657 1.00 0.00 O ATOM 31 CB ASN A 3 -8.549 -7.887 -7.397 1.00 0.00 C ATOM 32 CG ASN A 3 -8.033 -8.818 -8.478 1.00 0.00 C ATOM 33 OD1 ASN A 3 -8.745 -9.137 -9.430 1.00 0.00 O ATOM 34 ND2 ASN A 3 -6.789 -9.259 -8.336 1.00 0.00 N ATOM 0 H ASN A 3 -7.159 -8.217 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.763 -6.750 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.862 -8.475 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.432 -7.363 -7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.388 -9.888 -9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.234 -8.969 -7.531 1.00 0.00 H new ATOM 41 N PHE A 4 -8.285 -5.124 -5.443 1.00 0.00 N ATOM 42 CA PHE A 4 -8.936 -3.867 -5.088 1.00 0.00 C ATOM 43 C PHE A 4 -8.457 -2.720 -5.976 1.00 0.00 C ATOM 44 O PHE A 4 -9.215 -1.799 -6.277 1.00 0.00 O ATOM 45 CB PHE A 4 -8.670 -3.528 -3.616 1.00 0.00 C ATOM 46 CG PHE A 4 -7.454 -2.667 -3.399 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.186 -3.151 -3.681 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.581 -1.371 -2.924 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.069 -2.360 -3.493 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.468 -0.575 -2.732 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.210 -1.071 -3.018 1.00 0.00 C ATOM 0 H PHE A 4 -7.943 -5.662 -4.647 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.007 -3.994 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.542 -3.018 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.551 -4.455 -3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.070 -4.159 -4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.562 -0.978 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.087 -2.749 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.581 0.432 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.338 -0.451 -2.870 1.00 0.00 H new ATOM 61 N HIS A 5 -7.200 -2.785 -6.393 1.00 0.00 N ATOM 62 CA HIS A 5 -6.630 -1.753 -7.246 1.00 0.00 C ATOM 63 C HIS A 5 -7.325 -1.723 -8.603 1.00 0.00 C ATOM 64 O HIS A 5 -7.490 -0.662 -9.206 1.00 0.00 O ATOM 65 CB HIS A 5 -5.126 -1.984 -7.420 1.00 0.00 C ATOM 66 CG HIS A 5 -4.769 -2.876 -8.573 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.845 -4.221 -8.714 1.00 0.00 N flip ATOM 68 CD2 HIS A 5 -4.271 -2.395 -9.766 1.00 0.00 C flip ATOM 69 CE1 HIS A 5 -4.395 -4.523 -9.976 1.00 0.00 C flip ATOM 70 NE2 HIS A 5 -4.056 -3.404 -10.590 1.00 0.00 N flip ATOM 0 H HIS A 5 -6.557 -3.540 -6.155 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.785 -0.787 -6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.635 -1.020 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.728 -2.418 -6.503 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -5.175 -4.885 -8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.086 -1.355 -9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.329 -5.515 -10.398 1.00 0.00 H new ATOM 79 N GLU A 6 -7.725 -2.897 -9.080 1.00 0.00 N ATOM 80 CA GLU A 6 -8.396 -3.008 -10.368 1.00 0.00 C ATOM 81 C GLU A 6 -9.873 -2.638 -10.254 1.00 0.00 C ATOM 82 O GLU A 6 -10.502 -2.248 -11.238 1.00 0.00 O ATOM 83 CB GLU A 6 -8.238 -4.427 -10.922 1.00 0.00 C ATOM 84 CG GLU A 6 -9.142 -5.460 -10.262 1.00 0.00 C ATOM 85 CD GLU A 6 -10.045 -6.166 -11.256 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.546 -6.575 -12.325 1.00 0.00 O ATOM 87 OE2 GLU A 6 -11.251 -6.310 -10.964 1.00 0.00 O ATOM 0 H GLU A 6 -7.596 -3.784 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.930 -2.305 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.444 -4.412 -11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.201 -4.739 -10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.528 -6.198 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.754 -4.970 -9.505 1.00 0.00 H new ATOM 94 N SER A 7 -10.422 -2.763 -9.049 1.00 0.00 N ATOM 95 CA SER A 7 -11.824 -2.441 -8.813 1.00 0.00 C ATOM 96 C SER A 7 -11.968 -1.167 -7.982 1.00 0.00 C ATOM 97 O SER A 7 -13.029 -0.906 -7.414 1.00 0.00 O ATOM 98 CB SER A 7 -12.522 -3.604 -8.107 1.00 0.00 C ATOM 99 OG SER A 7 -13.053 -4.525 -9.045 1.00 0.00 O ATOM 0 H SER A 7 -9.918 -3.084 -8.223 1.00 0.00 H new ATOM 0 HA SER A 7 -12.296 -2.272 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.815 -4.114 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.323 -3.222 -7.474 1.00 0.00 H new ATOM 0 HG SER A 7 -12.319 -4.961 -9.527 1.00 0.00 H new ATOM 105 N SER A 8 -10.901 -0.373 -7.916 1.00 0.00 N ATOM 106 CA SER A 8 -10.926 0.871 -7.155 1.00 0.00 C ATOM 107 C SER A 8 -10.395 2.032 -7.990 1.00 0.00 C ATOM 108 O SER A 8 -9.699 1.827 -8.984 1.00 0.00 O ATOM 109 CB SER A 8 -10.101 0.732 -5.874 1.00 0.00 C ATOM 110 OG SER A 8 -10.072 1.950 -5.151 1.00 0.00 O ATOM 0 H SER A 8 -10.013 -0.569 -8.378 1.00 0.00 H new ATOM 0 HA SER A 8 -11.962 1.080 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.523 -0.055 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.084 0.430 -6.124 1.00 0.00 H new ATOM 0 HG SER A 8 -10.469 1.814 -4.266 1.00 0.00 H new ATOM 116 N ASN A 9 -10.729 3.252 -7.579 1.00 0.00 N ATOM 117 CA ASN A 9 -10.287 4.446 -8.287 1.00 0.00 C ATOM 118 C ASN A 9 -9.554 5.394 -7.344 1.00 0.00 C ATOM 119 O ASN A 9 -9.705 5.317 -6.125 1.00 0.00 O ATOM 120 CB ASN A 9 -11.483 5.155 -8.927 1.00 0.00 C ATOM 121 CG ASN A 9 -11.122 6.511 -9.501 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.046 7.515 -8.637 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.914 6.654 -10.706 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.305 3.438 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.595 4.142 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.891 4.527 -9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.268 5.278 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.984 5.853 -11.334 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.672 7.573 -11.076 1.00 0.00 H new ATOM 130 N ASN A 10 -8.759 6.287 -7.921 1.00 0.00 N ATOM 131 CA ASN A 10 -7.998 7.254 -7.138 1.00 0.00 C ATOM 132 C ASN A 10 -7.070 6.550 -6.152 1.00 0.00 C ATOM 133 O ASN A 10 -7.159 6.756 -4.941 1.00 0.00 O ATOM 134 CB ASN A 10 -8.947 8.193 -6.389 1.00 0.00 C ATOM 135 CG ASN A 10 -9.274 9.440 -7.186 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.007 9.512 -8.385 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.857 10.431 -6.521 1.00 0.00 N ATOM 0 H ASN A 10 -8.624 6.362 -8.929 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.386 7.840 -7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.870 7.662 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.495 8.480 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.102 11.295 -7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.060 10.328 -5.527 1.00 0.00 H new ATOM 144 N ILE A 11 -6.177 5.719 -6.680 1.00 0.00 N ATOM 145 CA ILE A 11 -5.230 4.984 -5.848 1.00 0.00 C ATOM 146 C ILE A 11 -3.917 5.749 -5.719 1.00 0.00 C ATOM 147 O ILE A 11 -3.222 5.979 -6.709 1.00 0.00 O ATOM 148 CB ILE A 11 -4.936 3.577 -6.414 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.113 3.066 -7.252 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.630 2.606 -5.284 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.433 3.072 -6.512 1.00 0.00 C ATOM 0 H ILE A 11 -6.089 5.538 -7.680 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.693 4.875 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.063 3.647 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.205 3.682 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.897 2.051 -7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.425 1.619 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.759 2.955 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.487 2.547 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.219 2.698 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.360 2.433 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.672 4.090 -6.203 1.00 0.00 H new ATOM 163 N TRP A 12 -3.583 6.145 -4.496 1.00 0.00 N ATOM 164 CA TRP A 12 -2.353 6.888 -4.242 1.00 0.00 C ATOM 165 C TRP A 12 -1.970 6.825 -2.766 1.00 0.00 C ATOM 166 O TRP A 12 -2.591 6.105 -1.983 1.00 0.00 O ATOM 167 CB TRP A 12 -2.515 8.345 -4.677 1.00 0.00 C ATOM 168 CG TRP A 12 -3.563 9.084 -3.903 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.905 8.829 -3.891 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.358 10.200 -3.028 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.546 9.718 -3.062 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.618 10.569 -2.520 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.231 10.922 -2.623 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.782 11.627 -1.630 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.395 11.972 -1.740 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.662 12.316 -1.251 1.00 0.00 C ATOM 0 H TRP A 12 -4.146 5.964 -3.665 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.555 6.428 -4.824 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.560 8.859 -4.563 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.768 8.374 -5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.391 8.044 -4.451 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.549 9.741 -2.880 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.250 10.664 -2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.758 11.894 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.532 12.537 -1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.757 13.142 -0.561 1.00 0.00 H new ATOM 187 N LEU A 13 -0.943 7.583 -2.393 1.00 0.00 N ATOM 188 CA LEU A 13 -0.477 7.613 -1.012 1.00 0.00 C ATOM 189 C LEU A 13 -0.326 9.048 -0.516 1.00 0.00 C ATOM 190 O LEU A 13 0.017 9.948 -1.283 1.00 0.00 O ATOM 191 CB LEU A 13 0.858 6.877 -0.887 1.00 0.00 C ATOM 192 CG LEU A 13 1.075 6.150 0.441 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.031 5.132 0.681 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.439 5.477 0.463 1.00 0.00 C ATOM 0 H LEU A 13 -0.418 8.184 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.222 7.112 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.933 6.152 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.666 7.595 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 13 1.042 6.885 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.141 4.625 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.994 5.641 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.033 4.400 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.577 4.965 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.501 4.754 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.218 6.229 0.340 1.00 0.00 H new ATOM 206 N GLU A 14 -0.582 9.254 0.772 1.00 0.00 N ATOM 207 CA GLU A 14 -0.474 10.578 1.373 1.00 0.00 C ATOM 208 C GLU A 14 0.559 10.578 2.496 1.00 0.00 C ATOM 209 O GLU A 14 0.415 9.862 3.486 1.00 0.00 O ATOM 210 CB GLU A 14 -1.836 11.033 1.906 1.00 0.00 C ATOM 211 CG GLU A 14 -1.777 12.306 2.737 1.00 0.00 C ATOM 212 CD GLU A 14 -3.135 12.723 3.265 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.975 13.171 2.456 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.359 12.603 4.488 1.00 0.00 O ATOM 0 H GLU A 14 -0.866 8.519 1.420 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.146 11.277 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.511 11.191 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.264 10.234 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.096 12.157 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.364 13.112 2.131 1.00 0.00 H new ATOM 221 N ASP A 15 1.599 11.386 2.330 1.00 0.00 N ATOM 222 CA ASP A 15 2.663 11.486 3.325 1.00 0.00 C ATOM 223 C ASP A 15 3.368 10.143 3.521 1.00 0.00 C ATOM 224 O ASP A 15 4.063 9.938 4.515 1.00 0.00 O ATOM 225 CB ASP A 15 2.098 11.984 4.657 1.00 0.00 C ATOM 226 CG ASP A 15 2.688 13.318 5.073 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.725 13.318 5.769 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.112 14.363 4.703 1.00 0.00 O ATOM 0 H ASP A 15 1.730 11.984 1.514 1.00 0.00 H new ATOM 0 HA ASP A 15 3.398 12.203 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.015 12.078 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.297 11.244 5.432 1.00 0.00 H new ATOM 233 N GLY A 16 3.191 9.235 2.564 1.00 0.00 N ATOM 234 CA GLY A 16 3.824 7.932 2.650 1.00 0.00 C ATOM 235 C GLY A 16 3.399 7.143 3.874 1.00 0.00 C ATOM 236 O GLY A 16 4.240 6.719 4.667 1.00 0.00 O ATOM 0 H GLY A 16 2.620 9.380 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.584 7.359 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.906 8.061 2.666 1.00 0.00 H new ATOM 240 N HIS A 17 2.094 6.934 4.024 1.00 0.00 N ATOM 241 CA HIS A 17 1.570 6.177 5.157 1.00 0.00 C ATOM 242 C HIS A 17 0.055 6.001 5.058 1.00 0.00 C ATOM 243 O HIS A 17 -0.488 4.985 5.492 1.00 0.00 O ATOM 244 CB HIS A 17 1.947 6.853 6.481 1.00 0.00 C ATOM 245 CG HIS A 17 1.190 8.113 6.770 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.061 9.143 5.863 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.525 8.509 7.882 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.352 10.118 6.404 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.015 9.758 7.628 1.00 0.00 N ATOM 0 H HIS A 17 1.383 7.276 3.378 1.00 0.00 H new ATOM 0 HA HIS A 17 2.024 5.186 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.780 6.148 7.295 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.013 7.079 6.469 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.452 9.151 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.416 7.947 8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.092 11.051 5.926 1.00 0.00 H new ATOM 258 N ILE A 18 -0.625 6.989 4.481 1.00 0.00 N ATOM 259 CA ILE A 18 -2.074 6.926 4.327 1.00 0.00 C ATOM 260 C ILE A 18 -2.454 6.536 2.900 1.00 0.00 C ATOM 261 O ILE A 18 -1.897 7.056 1.933 1.00 0.00 O ATOM 262 CB ILE A 18 -2.738 8.273 4.686 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.501 8.600 6.162 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.231 8.239 4.377 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.300 7.735 7.115 1.00 0.00 C ATOM 0 H ILE A 18 -0.197 7.839 4.114 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.437 6.163 5.016 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.285 9.056 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.440 8.485 6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.752 9.646 6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.678 9.198 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.378 8.047 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.705 7.448 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.079 8.026 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.364 7.867 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.032 6.689 6.968 1.00 0.00 H new ATOM 277 N LEU A 19 -3.405 5.615 2.780 1.00 0.00 N ATOM 278 CA LEU A 19 -3.862 5.149 1.475 1.00 0.00 C ATOM 279 C LEU A 19 -5.312 5.548 1.227 1.00 0.00 C ATOM 280 O LEU A 19 -6.137 5.527 2.140 1.00 0.00 O ATOM 281 CB LEU A 19 -3.719 3.629 1.376 1.00 0.00 C ATOM 282 CG LEU A 19 -4.129 3.026 0.030 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.305 1.783 -0.271 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.616 2.700 0.022 1.00 0.00 C ATOM 0 H LEU A 19 -3.875 5.176 3.572 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.240 5.620 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.681 3.363 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.321 3.171 2.161 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.936 3.762 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.610 1.368 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.248 2.047 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.465 1.042 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.890 2.272 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.835 1.982 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.189 3.612 0.190 1.00 0.00 H new ATOM 296 N HIS A 20 -5.615 5.904 -0.016 1.00 0.00 N ATOM 297 CA HIS A 20 -6.968 6.302 -0.393 1.00 0.00 C ATOM 298 C HIS A 20 -7.371 5.632 -1.701 1.00 0.00 C ATOM 299 O HIS A 20 -6.584 5.575 -2.647 1.00 0.00 O ATOM 300 CB HIS A 20 -7.076 7.826 -0.533 1.00 0.00 C ATOM 301 CG HIS A 20 -5.935 8.578 0.081 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.647 8.518 -0.406 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.893 9.411 1.149 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.863 9.279 0.334 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.594 9.833 1.284 1.00 0.00 N ATOM 0 H HIS A 20 -4.941 5.925 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.645 5.980 0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.137 8.080 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.006 8.158 -0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.347 7.971 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.726 9.691 1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.803 9.424 0.187 1.00 0.00 H new ATOM 314 N ALA A 21 -8.595 5.123 -1.750 1.00 0.00 N ATOM 315 CA ALA A 21 -9.090 4.454 -2.946 1.00 0.00 C ATOM 316 C ALA A 21 -10.600 4.250 -2.880 1.00 0.00 C ATOM 317 O ALA A 21 -11.149 3.934 -1.825 1.00 0.00 O ATOM 318 CB ALA A 21 -8.381 3.122 -3.130 1.00 0.00 C ATOM 0 H ALA A 21 -9.261 5.160 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.877 5.091 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.758 2.630 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.309 3.291 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.567 2.488 -2.263 1.00 0.00 H new ATOM 324 N GLU A 22 -11.265 4.433 -4.016 1.00 0.00 N ATOM 325 CA GLU A 22 -12.713 4.268 -4.091 1.00 0.00 C ATOM 326 C GLU A 22 -13.071 2.844 -4.502 1.00 0.00 C ATOM 327 O GLU A 22 -13.063 2.511 -5.686 1.00 0.00 O ATOM 328 CB GLU A 22 -13.316 5.259 -5.091 1.00 0.00 C ATOM 329 CG GLU A 22 -12.647 6.625 -5.091 1.00 0.00 C ATOM 330 CD GLU A 22 -13.155 7.526 -3.982 1.00 0.00 C ATOM 331 OE1 GLU A 22 -13.979 7.061 -3.167 1.00 0.00 O ATOM 332 OE2 GLU A 22 -12.728 8.699 -3.928 1.00 0.00 O ATOM 0 H GLU A 22 -10.825 4.696 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.126 4.465 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.250 4.834 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.375 5.385 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.570 6.497 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.817 7.108 -6.053 1.00 0.00 H new ATOM 339 N CYS A 23 -13.385 2.008 -3.519 1.00 0.00 N ATOM 340 CA CYS A 23 -13.744 0.620 -3.786 1.00 0.00 C ATOM 341 C CYS A 23 -15.255 0.427 -3.725 1.00 0.00 C ATOM 342 O CYS A 23 -15.907 0.842 -2.767 1.00 0.00 O ATOM 343 CB CYS A 23 -13.059 -0.309 -2.782 1.00 0.00 C ATOM 344 SG CYS A 23 -11.311 0.063 -2.503 1.00 0.00 S ATOM 0 H CYS A 23 -13.398 2.266 -2.532 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.404 0.371 -4.791 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.588 -0.251 -1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.149 -1.337 -3.135 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.577 -0.758 -3.194 1.00 0.00 H new ATOM 350 N GLY A 24 -15.805 -0.207 -4.755 1.00 0.00 N ATOM 351 CA GLY A 24 -17.236 -0.446 -4.799 1.00 0.00 C ATOM 352 C GLY A 24 -17.662 -1.573 -3.880 1.00 0.00 C ATOM 353 O GLY A 24 -16.827 -2.207 -3.235 1.00 0.00 O ATOM 0 H GLY A 24 -15.286 -0.559 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.763 0.466 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.531 -0.683 -5.821 1.00 0.00 H new ATOM 357 N ASN A 25 -18.966 -1.824 -3.819 1.00 0.00 N ATOM 358 CA ASN A 25 -19.502 -2.884 -2.970 1.00 0.00 C ATOM 359 C ASN A 25 -20.115 -3.999 -3.814 1.00 0.00 C ATOM 360 O ASN A 25 -20.135 -5.160 -3.404 1.00 0.00 O ATOM 361 CB ASN A 25 -20.550 -2.331 -1.992 1.00 0.00 C ATOM 362 CG ASN A 25 -20.976 -0.911 -2.317 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.711 0.019 -1.556 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.641 -0.739 -3.453 1.00 0.00 N ATOM 0 H ASN A 25 -19.671 -1.309 -4.346 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.673 -3.296 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.427 -2.979 -2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.145 -2.360 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.954 0.193 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.839 -1.539 -4.054 1.00 0.00 H new ATOM 433 N VAL A 31 -17.150 3.419 -3.068 1.00 0.00 N ATOM 434 CA VAL A 31 -17.082 3.829 -1.669 1.00 0.00 C ATOM 435 C VAL A 31 -15.677 4.284 -1.290 1.00 0.00 C ATOM 436 O VAL A 31 -14.728 3.500 -1.329 1.00 0.00 O ATOM 437 CB VAL A 31 -17.507 2.687 -0.728 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.665 3.197 0.696 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.796 2.042 -1.218 1.00 0.00 C ATOM 0 HA VAL A 31 -17.773 4.664 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.724 1.929 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.966 2.375 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.716 3.606 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.427 3.976 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.081 1.237 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.589 2.789 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.643 1.637 -2.218 1.00 0.00 H new ATOM 449 N GLU A 32 -15.551 5.555 -0.923 1.00 0.00 N ATOM 450 CA GLU A 32 -14.269 6.118 -0.535 1.00 0.00 C ATOM 451 C GLU A 32 -13.783 5.524 0.784 1.00 0.00 C ATOM 452 O GLU A 32 -14.454 5.633 1.810 1.00 0.00 O ATOM 453 CB GLU A 32 -14.386 7.636 -0.409 1.00 0.00 C ATOM 454 CG GLU A 32 -13.074 8.358 -0.634 1.00 0.00 C ATOM 455 CD GLU A 32 -13.215 9.866 -0.559 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.468 10.385 0.548 1.00 0.00 O ATOM 457 OE2 GLU A 32 -13.072 10.528 -1.609 1.00 0.00 O ATOM 0 H GLU A 32 -16.328 6.215 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.541 5.871 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.120 7.998 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.764 7.883 0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.350 8.028 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.675 8.083 -1.610 1.00 0.00 H new ATOM 464 N SER A 33 -12.611 4.900 0.748 1.00 0.00 N ATOM 465 CA SER A 33 -12.031 4.293 1.939 1.00 0.00 C ATOM 466 C SER A 33 -10.538 4.590 2.024 1.00 0.00 C ATOM 467 O SER A 33 -9.941 5.093 1.071 1.00 0.00 O ATOM 468 CB SER A 33 -12.267 2.782 1.933 1.00 0.00 C ATOM 469 OG SER A 33 -13.625 2.480 2.196 1.00 0.00 O ATOM 0 H SER A 33 -12.044 4.801 -0.094 1.00 0.00 H new ATOM 0 HA SER A 33 -12.519 4.723 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.980 2.369 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.633 2.308 2.683 1.00 0.00 H new ATOM 0 HG SER A 33 -13.743 2.314 3.154 1.00 0.00 H new ATOM 475 N THR A 34 -9.939 4.281 3.169 1.00 0.00 N ATOM 476 CA THR A 34 -8.515 4.523 3.370 1.00 0.00 C ATOM 477 C THR A 34 -7.919 3.513 4.345 1.00 0.00 C ATOM 478 O THR A 34 -8.615 2.984 5.211 1.00 0.00 O ATOM 479 CB THR A 34 -8.289 5.944 3.888 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.901 6.119 5.154 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.835 7.012 2.964 1.00 0.00 C ATOM 0 H THR A 34 -10.415 3.864 3.969 1.00 0.00 H new ATOM 0 HA THR A 34 -8.014 4.407 2.409 1.00 0.00 H new ATOM 0 HB THR A 34 -7.207 6.059 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.744 7.033 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.641 7.996 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.348 6.936 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.909 6.874 2.843 1.00 0.00 H new ATOM 489 N LEU A 35 -6.624 3.251 4.196 1.00 0.00 N ATOM 490 CA LEU A 35 -5.929 2.306 5.062 1.00 0.00 C ATOM 491 C LEU A 35 -4.602 2.881 5.541 1.00 0.00 C ATOM 492 O LEU A 35 -3.902 3.562 4.790 1.00 0.00 O ATOM 493 CB LEU A 35 -5.681 0.988 4.324 1.00 0.00 C ATOM 494 CG LEU A 35 -4.954 -0.082 5.140 1.00 0.00 C ATOM 495 CD1 LEU A 35 -5.790 -0.502 6.339 1.00 0.00 C ATOM 496 CD2 LEU A 35 -4.626 -1.284 4.268 1.00 0.00 C ATOM 0 H LEU A 35 -6.035 3.681 3.483 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.562 2.119 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.640 0.586 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.100 1.196 3.425 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.019 0.342 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.255 -1.264 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.973 0.363 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.742 -0.907 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.109 -2.036 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.548 -1.708 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.985 -0.971 3.443 1.00 0.00 H new ATOM 508 N ASP A 36 -4.257 2.597 6.791 1.00 0.00 N ATOM 509 CA ASP A 36 -3.011 3.079 7.366 1.00 0.00 C ATOM 510 C ASP A 36 -1.937 2.001 7.282 1.00 0.00 C ATOM 511 O ASP A 36 -2.106 0.897 7.790 1.00 0.00 O ATOM 512 CB ASP A 36 -3.223 3.506 8.820 1.00 0.00 C ATOM 513 CG ASP A 36 -1.947 4.003 9.472 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.413 5.037 9.020 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.483 3.357 10.435 1.00 0.00 O ATOM 0 H ASP A 36 -4.824 2.035 7.425 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.679 3.946 6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.977 4.293 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.613 2.663 9.390 1.00 0.00 H new ATOM 520 N LEU A 37 -0.839 2.327 6.624 1.00 0.00 N ATOM 521 CA LEU A 37 0.267 1.392 6.471 1.00 0.00 C ATOM 522 C LEU A 37 1.231 1.508 7.636 1.00 0.00 C ATOM 523 O LEU A 37 1.895 0.541 8.009 1.00 0.00 O ATOM 524 CB LEU A 37 0.994 1.648 5.165 1.00 0.00 C ATOM 525 CG LEU A 37 0.096 2.107 4.027 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.789 3.192 3.239 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.287 0.928 3.151 1.00 0.00 C ATOM 0 H LEU A 37 -0.687 3.235 6.185 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.138 0.380 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.762 2.403 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.505 0.734 4.862 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.826 2.523 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.143 3.519 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.003 4.037 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.722 2.805 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.930 1.271 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.613 0.477 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.820 0.189 3.749 1.00 0.00 H new ATOM 539 N ASP A 38 1.298 2.704 8.214 1.00 0.00 N ATOM 540 CA ASP A 38 2.175 2.956 9.347 1.00 0.00 C ATOM 541 C ASP A 38 1.854 2.010 10.498 1.00 0.00 C ATOM 542 O ASP A 38 2.616 1.906 11.458 1.00 0.00 O ATOM 543 CB ASP A 38 2.042 4.408 9.811 1.00 0.00 C ATOM 544 CG ASP A 38 3.222 4.856 10.651 1.00 0.00 C ATOM 545 OD1 ASP A 38 3.230 4.565 11.866 1.00 0.00 O ATOM 546 OD2 ASP A 38 4.137 5.499 10.095 1.00 0.00 O ATOM 0 H ASP A 38 0.754 3.513 7.914 1.00 0.00 H new ATOM 0 HA ASP A 38 3.202 2.779 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.951 5.058 8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.125 4.519 10.389 1.00 0.00 H new ATOM 551 N TYR A 39 0.722 1.315 10.397 1.00 0.00 N ATOM 552 CA TYR A 39 0.321 0.376 11.440 1.00 0.00 C ATOM 553 C TYR A 39 0.010 -1.008 10.862 1.00 0.00 C ATOM 554 O TYR A 39 -0.330 -1.932 11.601 1.00 0.00 O ATOM 555 CB TYR A 39 -0.881 0.927 12.221 1.00 0.00 C ATOM 556 CG TYR A 39 -2.229 0.487 11.693 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.550 0.641 10.354 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.176 -0.080 12.535 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.780 0.242 9.864 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.408 -0.482 12.054 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.705 -0.318 10.718 1.00 0.00 C ATOM 562 OH TYR A 39 -5.930 -0.717 10.234 1.00 0.00 O ATOM 0 H TYR A 39 0.074 1.384 9.613 1.00 0.00 H new ATOM 0 HA TYR A 39 1.159 0.260 12.127 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.794 0.617 13.262 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.838 2.016 12.208 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.828 1.080 9.682 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.947 -0.209 13.582 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.014 0.369 8.817 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.134 -0.922 12.721 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.886 -1.660 9.970 1.00 0.00 H new ATOM 572 N TYR A 40 0.133 -1.151 9.542 1.00 0.00 N ATOM 573 CA TYR A 40 -0.134 -2.428 8.887 1.00 0.00 C ATOM 574 C TYR A 40 1.112 -2.958 8.175 1.00 0.00 C ATOM 575 O TYR A 40 1.207 -4.150 7.884 1.00 0.00 O ATOM 576 CB TYR A 40 -1.288 -2.284 7.892 1.00 0.00 C ATOM 577 CG TYR A 40 -2.597 -2.849 8.401 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.970 -2.700 9.731 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.458 -3.532 7.551 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.164 -3.216 10.199 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.653 -4.050 8.012 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.001 -3.889 9.336 1.00 0.00 C ATOM 583 OH TYR A 40 -6.190 -4.404 9.799 1.00 0.00 O ATOM 0 H TYR A 40 0.414 -0.402 8.910 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.415 -3.147 9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.424 -1.229 7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.021 -2.787 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.317 -2.173 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.189 -3.660 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.439 -3.092 11.236 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.311 -4.578 7.338 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.663 -4.847 9.064 1.00 0.00 H new ATOM 593 N ILE A 41 2.066 -2.071 7.900 1.00 0.00 N ATOM 594 CA ILE A 41 3.300 -2.461 7.228 1.00 0.00 C ATOM 595 C ILE A 41 4.522 -2.028 8.035 1.00 0.00 C ATOM 596 O ILE A 41 4.539 -0.945 8.620 1.00 0.00 O ATOM 597 CB ILE A 41 3.384 -1.860 5.809 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.280 -2.439 4.927 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.751 -2.121 5.189 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.816 -1.492 3.845 1.00 0.00 C ATOM 0 H ILE A 41 2.007 -1.080 8.132 1.00 0.00 H new ATOM 0 HA ILE A 41 3.290 -3.548 7.147 1.00 0.00 H new ATOM 0 HB ILE A 41 3.246 -0.781 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.639 -3.358 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.429 -2.708 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.786 -1.688 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.524 -1.666 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.922 -3.196 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.031 -1.968 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.426 -0.582 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.655 -1.242 3.196 1.00 0.00 H new ATOM 612 N GLY A 42 5.541 -2.880 8.060 1.00 0.00 N ATOM 613 CA GLY A 42 6.751 -2.567 8.797 1.00 0.00 C ATOM 614 C GLY A 42 8.004 -2.758 7.967 1.00 0.00 C ATOM 615 O GLY A 42 7.933 -3.154 6.803 1.00 0.00 O ATOM 0 H GLY A 42 5.551 -3.782 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.704 -1.535 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.806 -3.200 9.683 1.00 0.00 H new ATOM 619 N ASN A 43 9.156 -2.477 8.567 1.00 0.00 N ATOM 620 CA ASN A 43 10.433 -2.619 7.879 1.00 0.00 C ATOM 621 C ASN A 43 11.190 -3.842 8.386 1.00 0.00 C ATOM 622 O ASN A 43 11.632 -3.880 9.534 1.00 0.00 O ATOM 623 CB ASN A 43 11.282 -1.361 8.072 1.00 0.00 C ATOM 624 CG ASN A 43 12.614 -1.442 7.351 1.00 0.00 C ATOM 625 OD1 ASN A 43 12.998 -2.498 6.848 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.326 -0.323 7.296 1.00 0.00 N ATOM 0 H ASN A 43 9.231 -2.149 9.530 1.00 0.00 H new ATOM 0 HA ASN A 43 10.233 -2.754 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.729 -0.494 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.458 -1.205 9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.230 -0.316 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.969 0.530 7.727 1.00 0.00 H new ATOM 633 N ASP A 44 11.338 -4.840 7.521 1.00 0.00 N ATOM 634 CA ASP A 44 12.044 -6.065 7.879 1.00 0.00 C ATOM 635 C ASP A 44 13.355 -6.180 7.109 1.00 0.00 C ATOM 636 O ASP A 44 13.372 -6.608 5.955 1.00 0.00 O ATOM 637 CB ASP A 44 11.166 -7.285 7.598 1.00 0.00 C ATOM 638 CG ASP A 44 11.745 -8.561 8.178 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.599 -8.466 9.085 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.346 -9.654 7.724 1.00 0.00 O ATOM 0 H ASP A 44 10.978 -4.825 6.567 1.00 0.00 H new ATOM 0 HA ASP A 44 12.270 -6.027 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.173 -7.118 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.044 -7.401 6.521 1.00 0.00 H new ATOM 645 N ASP A 45 14.452 -5.796 7.754 1.00 0.00 N ATOM 646 CA ASP A 45 15.766 -5.858 7.126 1.00 0.00 C ATOM 647 C ASP A 45 15.809 -4.992 5.871 1.00 0.00 C ATOM 648 O ASP A 45 16.279 -5.426 4.819 1.00 0.00 O ATOM 649 CB ASP A 45 16.116 -7.305 6.774 1.00 0.00 C ATOM 650 CG ASP A 45 17.528 -7.444 6.241 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.479 -7.346 7.045 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.684 -7.651 5.019 1.00 0.00 O ATOM 0 H ASP A 45 14.457 -5.439 8.710 1.00 0.00 H new ATOM 0 HA ASP A 45 16.500 -5.476 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.002 -7.930 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.411 -7.676 6.030 1.00 0.00 H new ATOM 657 N GLY A 46 15.313 -3.765 5.989 1.00 0.00 N ATOM 658 CA GLY A 46 15.302 -2.858 4.857 1.00 0.00 C ATOM 659 C GLY A 46 14.336 -3.294 3.770 1.00 0.00 C ATOM 660 O GLY A 46 14.439 -2.851 2.627 1.00 0.00 O ATOM 0 H GLY A 46 14.918 -3.383 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.032 -1.859 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.307 -2.791 4.440 1.00 0.00 H new ATOM 664 N SER A 47 13.395 -4.165 4.126 1.00 0.00 N ATOM 665 CA SER A 47 12.410 -4.658 3.170 1.00 0.00 C ATOM 666 C SER A 47 10.994 -4.503 3.715 1.00 0.00 C ATOM 667 O SER A 47 10.769 -4.592 4.922 1.00 0.00 O ATOM 668 CB SER A 47 12.683 -6.127 2.837 1.00 0.00 C ATOM 669 OG SER A 47 13.517 -6.245 1.698 1.00 0.00 O ATOM 0 H SER A 47 13.295 -4.543 5.068 1.00 0.00 H new ATOM 0 HA SER A 47 12.495 -4.063 2.261 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.155 -6.615 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.740 -6.644 2.656 1.00 0.00 H new ATOM 0 HG SER A 47 13.678 -7.193 1.507 1.00 0.00 H new ATOM 675 N PHE A 48 10.043 -4.273 2.817 1.00 0.00 N ATOM 676 CA PHE A 48 8.647 -4.106 3.204 1.00 0.00 C ATOM 677 C PHE A 48 8.077 -5.409 3.757 1.00 0.00 C ATOM 678 O PHE A 48 8.382 -6.492 3.257 1.00 0.00 O ATOM 679 CB PHE A 48 7.819 -3.644 2.004 1.00 0.00 C ATOM 680 CG PHE A 48 7.964 -2.180 1.697 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.789 -1.230 2.691 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.273 -1.754 0.415 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.920 0.117 2.411 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.405 -0.408 0.129 1.00 0.00 C ATOM 685 CZ PHE A 48 8.228 0.529 1.129 1.00 0.00 C ATOM 0 H PHE A 48 10.214 -4.198 1.814 1.00 0.00 H new ATOM 0 HA PHE A 48 8.599 -3.348 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.113 -4.221 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.768 -3.864 2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.548 -1.546 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.412 -2.482 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.782 0.847 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.646 -0.089 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.330 1.581 0.909 1.00 0.00 H new ATOM 695 N SER A 49 7.250 -5.299 4.792 1.00 0.00 N ATOM 696 CA SER A 49 6.641 -6.471 5.412 1.00 0.00 C ATOM 697 C SER A 49 5.136 -6.284 5.580 1.00 0.00 C ATOM 698 O SER A 49 4.686 -5.314 6.189 1.00 0.00 O ATOM 699 CB SER A 49 7.286 -6.749 6.771 1.00 0.00 C ATOM 700 OG SER A 49 7.391 -8.142 7.011 1.00 0.00 O ATOM 0 H SER A 49 6.986 -4.411 5.219 1.00 0.00 H new ATOM 0 HA SER A 49 6.810 -7.324 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.276 -6.295 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.694 -6.285 7.560 1.00 0.00 H new ATOM 0 HG SER A 49 7.808 -8.293 7.885 1.00 0.00 H new ATOM 706 N TRP A 50 4.363 -7.222 5.039 1.00 0.00 N ATOM 707 CA TRP A 50 2.910 -7.162 5.132 1.00 0.00 C ATOM 708 C TRP A 50 2.441 -7.542 6.533 1.00 0.00 C ATOM 709 O TRP A 50 2.702 -8.647 7.007 1.00 0.00 O ATOM 710 CB TRP A 50 2.276 -8.095 4.100 1.00 0.00 C ATOM 711 CG TRP A 50 2.114 -7.464 2.751 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.668 -7.887 1.577 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.347 -6.296 2.436 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.292 -7.053 0.552 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.482 -6.069 1.053 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.559 -5.419 3.188 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.859 -5.004 0.408 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.059 -4.362 2.547 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.094 -4.163 1.169 1.00 0.00 C ATOM 0 H TRP A 50 4.720 -8.032 4.532 1.00 0.00 H new ATOM 0 HA TRP A 50 2.597 -6.138 4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.891 -8.990 4.003 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.300 -8.417 4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.308 -8.750 1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.571 -7.151 -0.424 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.436 -5.565 4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.975 -4.847 -0.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.670 -3.678 3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.402 -3.328 0.697 1.00 0.00 H new ATOM 730 N GLY A 51 1.747 -6.618 7.190 1.00 0.00 N ATOM 731 CA GLY A 51 1.254 -6.876 8.529 1.00 0.00 C ATOM 732 C GLY A 51 2.133 -6.267 9.606 1.00 0.00 C ATOM 733 O GLY A 51 1.982 -6.580 10.787 1.00 0.00 O ATOM 0 H GLY A 51 1.518 -5.696 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.244 -6.478 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.188 -7.953 8.686 1.00 0.00 H new ATOM 737 N GLY A 52 3.052 -5.394 9.203 1.00 0.00 N ATOM 738 CA GLY A 52 3.937 -4.756 10.158 1.00 0.00 C ATOM 739 C GLY A 52 3.426 -3.398 10.595 1.00 0.00 C ATOM 740 O GLY A 52 2.217 -3.179 10.672 1.00 0.00 O ATOM 0 H GLY A 52 3.199 -5.118 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.049 -5.398 11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.927 -4.644 9.715 1.00 0.00 H new ATOM 744 N GLU A 53 4.345 -2.483 10.882 1.00 0.00 N ATOM 745 CA GLU A 53 3.975 -1.140 11.312 1.00 0.00 C ATOM 746 C GLU A 53 5.212 -0.290 11.581 1.00 0.00 C ATOM 747 O GLU A 53 6.287 -0.814 11.872 1.00 0.00 O ATOM 748 CB GLU A 53 3.101 -1.207 12.565 1.00 0.00 C ATOM 749 CG GLU A 53 3.626 -2.160 13.626 1.00 0.00 C ATOM 750 CD GLU A 53 2.535 -2.653 14.556 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.578 -3.289 14.065 1.00 0.00 O ATOM 752 OE2 GLU A 53 2.637 -2.404 15.776 1.00 0.00 O ATOM 0 H GLU A 53 5.350 -2.646 10.825 1.00 0.00 H new ATOM 0 HA GLU A 53 3.408 -0.672 10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.020 -0.208 12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.095 -1.514 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.098 -3.014 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.398 -1.659 14.210 1.00 0.00 H new ATOM 759 N ASN A 54 5.050 1.026 11.478 1.00 0.00 N ATOM 760 CA ASN A 54 6.151 1.956 11.707 1.00 0.00 C ATOM 761 C ASN A 54 7.225 1.803 10.635 1.00 0.00 C ATOM 762 O ASN A 54 8.402 2.064 10.881 1.00 0.00 O ATOM 763 CB ASN A 54 6.760 1.734 13.093 1.00 0.00 C ATOM 764 CG ASN A 54 5.706 1.630 14.178 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.412 0.407 14.601 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.164 2.638 14.631 1.00 0.00 N flip ATOM 0 H ASN A 54 4.165 1.473 11.237 1.00 0.00 H new ATOM 0 HA ASN A 54 5.752 2.969 11.654 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.358 0.823 13.082 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.437 2.556 13.325 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.421 3.559 14.276 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.457 2.552 15.362 1.00 0.00 H new ATOM 773 N PHE A 55 6.811 1.381 9.443 1.00 0.00 N ATOM 774 CA PHE A 55 7.739 1.196 8.335 1.00 0.00 C ATOM 775 C PHE A 55 8.406 2.518 7.960 1.00 0.00 C ATOM 776 O PHE A 55 9.602 2.563 7.673 1.00 0.00 O ATOM 777 CB PHE A 55 7.008 0.606 7.123 1.00 0.00 C ATOM 778 CG PHE A 55 6.191 1.609 6.355 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.923 1.967 6.786 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.692 2.192 5.202 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.171 2.888 6.081 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.945 3.114 4.493 1.00 0.00 C ATOM 783 CZ PHE A 55 4.683 3.462 4.933 1.00 0.00 C ATOM 0 H PHE A 55 5.840 1.161 9.221 1.00 0.00 H new ATOM 0 HA PHE A 55 8.515 0.499 8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.741 0.159 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.354 -0.198 7.462 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.518 1.521 7.683 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.678 1.923 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.184 3.159 6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.348 3.562 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.097 4.182 4.381 1.00 0.00 H new ATOM 793 N SER A 56 7.621 3.591 7.966 1.00 0.00 N ATOM 794 CA SER A 56 8.130 4.915 7.628 1.00 0.00 C ATOM 795 C SER A 56 9.110 5.411 8.687 1.00 0.00 C ATOM 796 O SER A 56 9.985 6.229 8.400 1.00 0.00 O ATOM 797 CB SER A 56 6.973 5.905 7.483 1.00 0.00 C ATOM 798 OG SER A 56 7.440 7.243 7.504 1.00 0.00 O ATOM 0 H SER A 56 6.629 3.569 8.202 1.00 0.00 H new ATOM 0 HA SER A 56 8.659 4.841 6.678 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.444 5.716 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.257 5.754 8.291 1.00 0.00 H new ATOM 0 HG SER A 56 6.681 7.856 7.408 1.00 0.00 H new ATOM 804 N GLY A 57 8.960 4.913 9.912 1.00 0.00 N ATOM 805 CA GLY A 57 9.840 5.319 10.993 1.00 0.00 C ATOM 806 C GLY A 57 11.308 5.196 10.629 1.00 0.00 C ATOM 807 O GLY A 57 12.153 5.902 11.180 1.00 0.00 O ATOM 0 H GLY A 57 8.244 4.235 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.622 6.352 11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.635 4.708 11.872 1.00 0.00 H new ATOM 811 N SER A 58 11.611 4.298 9.697 1.00 0.00 N ATOM 812 CA SER A 58 12.984 4.086 9.257 1.00 0.00 C ATOM 813 C SER A 58 13.082 4.152 7.736 1.00 0.00 C ATOM 814 O SER A 58 13.943 3.512 7.131 1.00 0.00 O ATOM 815 CB SER A 58 13.499 2.733 9.754 1.00 0.00 C ATOM 816 OG SER A 58 12.854 2.353 10.957 1.00 0.00 O ATOM 0 H SER A 58 10.923 3.705 9.232 1.00 0.00 H new ATOM 0 HA SER A 58 13.601 4.879 9.679 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.330 1.973 8.991 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.575 2.787 9.916 1.00 0.00 H new ATOM 0 HG SER A 58 13.199 1.485 11.253 1.00 0.00 H new ATOM 822 N ALA A 59 12.195 4.929 7.123 1.00 0.00 N ATOM 823 CA ALA A 59 12.182 5.078 5.673 1.00 0.00 C ATOM 824 C ALA A 59 12.240 6.548 5.273 1.00 0.00 C ATOM 825 O ALA A 59 12.008 7.434 6.094 1.00 0.00 O ATOM 826 CB ALA A 59 10.944 4.417 5.087 1.00 0.00 C ATOM 0 H ALA A 59 11.476 5.465 7.608 1.00 0.00 H new ATOM 0 HA ALA A 59 13.068 4.585 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.947 4.536 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.946 3.356 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.051 4.885 5.501 1.00 0.00 H new ATOM 832 N SER A 60 12.553 6.800 4.006 1.00 0.00 N ATOM 833 CA SER A 60 12.643 8.163 3.499 1.00 0.00 C ATOM 834 C SER A 60 11.934 8.300 2.156 1.00 0.00 C ATOM 835 O SER A 60 11.865 7.347 1.380 1.00 0.00 O ATOM 836 CB SER A 60 14.106 8.578 3.353 1.00 0.00 C ATOM 837 OG SER A 60 14.750 7.828 2.338 1.00 0.00 O ATOM 0 H SER A 60 12.748 6.078 3.313 1.00 0.00 H new ATOM 0 HA SER A 60 12.151 8.819 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.164 9.640 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.625 8.434 4.301 1.00 0.00 H new ATOM 0 HG SER A 60 15.684 8.114 2.263 1.00 0.00 H new ATOM 843 N ASN A 61 11.415 9.499 1.891 1.00 0.00 N ATOM 844 CA ASN A 61 10.709 9.792 0.641 1.00 0.00 C ATOM 845 C ASN A 61 9.867 8.605 0.174 1.00 0.00 C ATOM 846 O ASN A 61 10.116 8.031 -0.886 1.00 0.00 O ATOM 847 CB ASN A 61 11.698 10.197 -0.460 1.00 0.00 C ATOM 848 CG ASN A 61 13.057 9.538 -0.310 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.139 8.263 -0.668 1.00 0.00 O flip ATOM 850 ND2 ASN A 61 14.021 10.168 0.124 1.00 0.00 N flip ATOM 0 H ASN A 61 11.471 10.291 2.532 1.00 0.00 H new ATOM 0 HA ASN A 61 10.036 10.626 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.279 9.935 -1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.822 11.280 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.913 11.147 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.928 9.711 0.220 1.00 0.00 H new ATOM 857 N ILE A 62 8.868 8.244 0.973 1.00 0.00 N ATOM 858 CA ILE A 62 7.988 7.129 0.640 1.00 0.00 C ATOM 859 C ILE A 62 6.864 7.581 -0.287 1.00 0.00 C ATOM 860 O ILE A 62 6.050 8.429 0.079 1.00 0.00 O ATOM 861 CB ILE A 62 7.372 6.494 1.903 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.420 6.372 3.011 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.780 5.132 1.576 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.869 5.816 4.306 1.00 0.00 C ATOM 0 H ILE A 62 8.648 8.707 1.855 1.00 0.00 H new ATOM 0 HA ILE A 62 8.601 6.383 0.134 1.00 0.00 H new ATOM 0 HB ILE A 62 6.572 7.143 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.230 5.730 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.852 7.355 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.349 4.697 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.003 5.245 0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.563 4.477 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.667 5.758 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.079 6.470 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.463 4.820 4.131 1.00 0.00 H new ATOM 876 N THR A 63 6.826 7.013 -1.488 1.00 0.00 N ATOM 877 CA THR A 63 5.800 7.364 -2.465 1.00 0.00 C ATOM 878 C THR A 63 5.311 6.129 -3.215 1.00 0.00 C ATOM 879 O THR A 63 6.002 5.112 -3.275 1.00 0.00 O ATOM 880 CB THR A 63 6.343 8.395 -3.455 1.00 0.00 C ATOM 881 OG1 THR A 63 7.745 8.253 -3.609 1.00 0.00 O ATOM 882 CG2 THR A 63 6.069 9.825 -3.039 1.00 0.00 C ATOM 0 H THR A 63 7.492 6.309 -1.808 1.00 0.00 H new ATOM 0 HA THR A 63 4.955 7.794 -1.927 1.00 0.00 H new ATOM 0 HB THR A 63 5.821 8.199 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.073 8.920 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.480 10.506 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.993 9.981 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.536 10.019 -2.073 1.00 0.00 H new ATOM 890 N LEU A 64 4.115 6.226 -3.786 1.00 0.00 N ATOM 891 CA LEU A 64 3.531 5.118 -4.533 1.00 0.00 C ATOM 892 C LEU A 64 3.598 5.375 -6.035 1.00 0.00 C ATOM 893 O LEU A 64 3.198 6.437 -6.512 1.00 0.00 O ATOM 894 CB LEU A 64 2.078 4.901 -4.105 1.00 0.00 C ATOM 895 CG LEU A 64 1.341 3.787 -4.850 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.603 2.438 -4.194 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.151 4.080 -4.902 1.00 0.00 C ATOM 0 H LEU A 64 3.531 7.061 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 64 4.108 4.220 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.059 4.677 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.531 5.834 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 64 1.719 3.746 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.070 1.659 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.672 2.226 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.255 2.462 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.661 3.278 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.544 4.148 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.319 5.024 -5.420 1.00 0.00 H new ATOM 909 N ASP A 65 4.106 4.395 -6.776 1.00 0.00 N ATOM 910 CA ASP A 65 4.227 4.514 -8.225 1.00 0.00 C ATOM 911 C ASP A 65 3.606 3.308 -8.924 1.00 0.00 C ATOM 912 O ASP A 65 3.527 2.221 -8.353 1.00 0.00 O ATOM 913 CB ASP A 65 5.697 4.649 -8.626 1.00 0.00 C ATOM 914 CG ASP A 65 6.284 5.989 -8.229 1.00 0.00 C ATOM 915 OD1 ASP A 65 6.570 6.179 -7.028 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.457 6.848 -9.118 1.00 0.00 O ATOM 0 H ASP A 65 4.441 3.509 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 65 3.689 5.409 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.273 3.850 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.790 4.520 -9.704 1.00 0.00 H new ATOM 921 N ILE A 66 3.167 3.509 -10.162 1.00 0.00 N ATOM 922 CA ILE A 66 2.555 2.441 -10.939 1.00 0.00 C ATOM 923 C ILE A 66 3.620 1.601 -11.640 1.00 0.00 C ATOM 924 O ILE A 66 4.633 2.125 -12.105 1.00 0.00 O ATOM 925 CB ILE A 66 1.565 3.014 -11.980 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.233 3.357 -11.309 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.350 2.040 -13.131 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.581 2.142 -10.916 1.00 0.00 C ATOM 0 H ILE A 66 3.224 4.404 -10.648 1.00 0.00 H new ATOM 0 HA ILE A 66 2.004 1.802 -10.249 1.00 0.00 H new ATOM 0 HB ILE A 66 1.996 3.926 -12.393 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.428 3.956 -10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.357 3.975 -11.986 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.649 2.471 -13.846 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.301 1.847 -13.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.945 1.104 -12.745 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.511 2.463 -10.447 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.808 1.553 -11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.011 1.534 -10.213 1.00 0.00 H new ATOM 940 N GLU A 67 3.381 0.297 -11.712 1.00 0.00 N ATOM 941 CA GLU A 67 4.316 -0.619 -12.356 1.00 0.00 C ATOM 942 C GLU A 67 3.571 -1.710 -13.118 1.00 0.00 C ATOM 943 O GLU A 67 2.597 -2.275 -12.620 1.00 0.00 O ATOM 944 CB GLU A 67 5.243 -1.250 -11.315 1.00 0.00 C ATOM 945 CG GLU A 67 6.569 -1.721 -11.888 1.00 0.00 C ATOM 946 CD GLU A 67 6.573 -3.203 -12.208 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.550 -4.015 -11.260 1.00 0.00 O ATOM 948 OE2 GLU A 67 6.597 -3.551 -13.408 1.00 0.00 O ATOM 0 H GLU A 67 2.547 -0.151 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 67 4.914 -0.048 -13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.435 -0.524 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.735 -2.097 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.790 -1.157 -12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.365 -1.505 -11.176 1.00 0.00 H new ATOM 955 N GLY A 68 4.035 -2.001 -14.329 1.00 0.00 N ATOM 956 CA GLY A 68 3.401 -3.023 -15.139 1.00 0.00 C ATOM 957 C GLY A 68 2.347 -2.456 -16.070 1.00 0.00 C ATOM 958 O GLY A 68 1.980 -1.286 -15.962 1.00 0.00 O ATOM 0 H GLY A 68 4.839 -1.547 -14.763 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.160 -3.539 -15.727 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.943 -3.766 -14.487 1.00 0.00 H new ATOM 962 N ASP A 69 1.862 -3.286 -16.987 1.00 0.00 N ATOM 963 CA ASP A 69 0.844 -2.862 -17.942 1.00 0.00 C ATOM 964 C ASP A 69 -0.554 -2.917 -17.326 1.00 0.00 C ATOM 965 O ASP A 69 -1.508 -2.381 -17.889 1.00 0.00 O ATOM 966 CB ASP A 69 0.895 -3.739 -19.194 1.00 0.00 C ATOM 967 CG ASP A 69 0.524 -2.976 -20.450 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.162 -1.939 -20.334 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.921 -3.415 -21.550 1.00 0.00 O ATOM 0 H ASP A 69 2.157 -4.257 -17.089 1.00 0.00 H new ATOM 0 HA ASP A 69 1.055 -1.828 -18.216 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.898 -4.151 -19.305 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.216 -4.583 -19.071 1.00 0.00 H new ATOM 974 N ASP A 70 -0.671 -3.568 -16.171 1.00 0.00 N ATOM 975 CA ASP A 70 -1.956 -3.688 -15.491 1.00 0.00 C ATOM 976 C ASP A 70 -2.192 -2.516 -14.537 1.00 0.00 C ATOM 977 O ASP A 70 -3.279 -2.373 -13.979 1.00 0.00 O ATOM 978 CB ASP A 70 -2.025 -5.008 -14.721 1.00 0.00 C ATOM 979 CG ASP A 70 -2.784 -6.080 -15.479 1.00 0.00 C ATOM 980 OD1 ASP A 70 -2.914 -5.953 -16.715 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.247 -7.046 -14.837 1.00 0.00 O ATOM 0 H ASP A 70 0.106 -4.019 -15.689 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.738 -3.671 -16.250 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.014 -5.359 -14.516 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.506 -4.839 -13.757 1.00 0.00 H new ATOM 986 N ASN A 71 -1.169 -1.683 -14.351 1.00 0.00 N ATOM 987 CA ASN A 71 -1.273 -0.531 -13.461 1.00 0.00 C ATOM 988 C ASN A 71 -1.439 -0.981 -12.018 1.00 0.00 C ATOM 989 O ASN A 71 -2.534 -0.925 -11.458 1.00 0.00 O ATOM 990 CB ASN A 71 -2.445 0.363 -13.871 1.00 0.00 C ATOM 991 CG ASN A 71 -2.371 0.782 -15.326 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.980 -0.010 -16.202 1.00 0.00 O flip ATOM 993 ND2 ASN A 71 -1.774 1.805 -15.661 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.261 -1.785 -14.804 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.351 0.044 -13.543 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.381 -0.167 -13.696 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.459 1.252 -13.240 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.320 2.385 -14.955 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.733 2.073 -16.644 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.342 -1.430 -11.425 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.357 -1.896 -10.047 1.00 0.00 C ATOM 1002 C ILE A 72 0.350 -0.903 -9.125 1.00 0.00 C ATOM 1003 O ILE A 72 1.504 -0.544 -9.358 1.00 0.00 O ATOM 1004 CB ILE A 72 0.314 -3.277 -9.912 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.145 -4.094 -11.197 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.269 -4.027 -8.728 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.297 -4.420 -11.520 1.00 0.00 C ATOM 0 H ILE A 72 0.571 -1.481 -11.878 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.403 -1.981 -9.752 1.00 0.00 H new ATOM 0 HB ILE A 72 1.380 -3.126 -9.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.579 -3.541 -12.030 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.707 -5.023 -11.104 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.212 -5.001 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.098 -3.456 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.340 -4.163 -8.875 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.341 -5.000 -12.442 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.730 -5.000 -10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.860 -3.495 -11.646 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.334 -0.440 -8.061 1.00 0.00 N ATOM 1020 CA PRO A 73 0.241 0.518 -7.109 1.00 0.00 C ATOM 1021 C PRO A 73 1.449 -0.049 -6.370 1.00 0.00 C ATOM 1022 O PRO A 73 1.305 -0.842 -5.440 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.906 0.791 -6.128 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.820 -0.376 -6.268 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.715 -0.809 -7.702 1.00 0.00 C ATOM 0 HA PRO A 73 0.608 1.413 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.538 0.883 -5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.417 1.723 -6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.531 -1.182 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.845 -0.102 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.889 -1.879 -7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.445 -0.300 -8.331 1.00 0.00 H new ATOM 1033 N VAL A 74 2.639 0.365 -6.791 1.00 0.00 N ATOM 1034 CA VAL A 74 3.875 -0.099 -6.170 1.00 0.00 C ATOM 1035 C VAL A 74 4.488 0.981 -5.285 1.00 0.00 C ATOM 1036 O VAL A 74 4.862 2.052 -5.764 1.00 0.00 O ATOM 1037 CB VAL A 74 4.910 -0.528 -7.228 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.110 -1.186 -6.565 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.275 -1.461 -8.248 1.00 0.00 C ATOM 0 H VAL A 74 2.774 1.021 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 74 3.614 -0.961 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 74 5.258 0.362 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.830 -1.482 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.578 -0.481 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.783 -2.067 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.021 -1.754 -8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.897 -2.350 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.452 -0.949 -8.746 1.00 0.00 H new ATOM 1049 N LEU A 75 4.591 0.691 -3.992 1.00 0.00 N ATOM 1050 CA LEU A 75 5.162 1.636 -3.038 1.00 0.00 C ATOM 1051 C LEU A 75 6.672 1.449 -2.931 1.00 0.00 C ATOM 1052 O LEU A 75 7.148 0.384 -2.539 1.00 0.00 O ATOM 1053 CB LEU A 75 4.512 1.462 -1.664 1.00 0.00 C ATOM 1054 CG LEU A 75 5.037 2.395 -0.570 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.019 3.842 -1.043 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.214 2.237 0.701 1.00 0.00 C ATOM 0 H LEU A 75 4.286 -0.191 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 75 4.963 2.646 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.438 1.617 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.656 0.431 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 75 6.069 2.122 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.396 4.489 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.650 3.944 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.998 4.131 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.599 2.907 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.173 2.484 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.280 1.207 1.051 1.00 0.00 H new ATOM 1068 N ARG A 76 7.418 2.489 -3.286 1.00 0.00 N ATOM 1069 CA ARG A 76 8.876 2.440 -3.236 1.00 0.00 C ATOM 1070 C ARG A 76 9.428 3.477 -2.263 1.00 0.00 C ATOM 1071 O ARG A 76 9.002 4.631 -2.262 1.00 0.00 O ATOM 1072 CB ARG A 76 9.460 2.674 -4.631 1.00 0.00 C ATOM 1073 CG ARG A 76 9.693 1.395 -5.417 1.00 0.00 C ATOM 1074 CD ARG A 76 9.847 1.674 -6.903 1.00 0.00 C ATOM 1075 NE ARG A 76 8.556 1.737 -7.584 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.415 1.990 -8.883 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.481 2.206 -9.644 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.204 2.028 -9.423 1.00 0.00 N ATOM 0 H ARG A 76 7.038 3.377 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 76 9.168 1.450 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.785 3.319 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.405 3.208 -4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.588 0.896 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.858 0.712 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.377 2.616 -7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.459 0.894 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 76 7.713 1.578 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.414 2.179 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.367 2.399 -10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.381 1.863 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.095 2.222 -10.418 1.00 0.00 H new ATOM 1092 N ALA A 77 10.383 3.056 -1.438 1.00 0.00 N ATOM 1093 CA ALA A 77 10.998 3.948 -0.463 1.00 0.00 C ATOM 1094 C ALA A 77 12.273 3.340 0.112 1.00 0.00 C ATOM 1095 O ALA A 77 12.392 2.120 0.229 1.00 0.00 O ATOM 1096 CB ALA A 77 10.016 4.270 0.652 1.00 0.00 C ATOM 0 H ALA A 77 10.747 2.103 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 77 11.266 4.873 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.489 4.937 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.135 4.756 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.718 3.348 1.152 1.00 0.00 H new ATOM 1102 N GLU A 78 13.223 4.197 0.472 1.00 0.00 N ATOM 1103 CA GLU A 78 14.488 3.743 1.038 1.00 0.00 C ATOM 1104 C GLU A 78 14.306 3.316 2.491 1.00 0.00 C ATOM 1105 O GLU A 78 14.094 4.151 3.370 1.00 0.00 O ATOM 1106 CB GLU A 78 15.540 4.850 0.947 1.00 0.00 C ATOM 1107 CG GLU A 78 15.593 5.527 -0.413 1.00 0.00 C ATOM 1108 CD GLU A 78 16.607 6.653 -0.465 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.510 6.680 0.398 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.498 7.509 -1.368 1.00 0.00 O ATOM 0 H GLU A 78 13.141 5.210 0.382 1.00 0.00 H new ATOM 0 HA GLU A 78 14.829 2.882 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.333 5.601 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.520 4.429 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.839 4.786 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.606 5.920 -0.658 1.00 0.00 H new ATOM 1117 N LEU A 79 14.384 2.012 2.735 1.00 0.00 N ATOM 1118 CA LEU A 79 14.221 1.476 4.082 1.00 0.00 C ATOM 1119 C LEU A 79 15.570 1.297 4.771 1.00 0.00 C ATOM 1120 O LEU A 79 16.591 1.079 4.118 1.00 0.00 O ATOM 1121 CB LEU A 79 13.483 0.137 4.031 1.00 0.00 C ATOM 1122 CG LEU A 79 11.963 0.238 3.907 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.362 -1.124 3.595 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.361 0.810 5.182 1.00 0.00 C ATOM 0 H LEU A 79 14.559 1.307 2.019 1.00 0.00 H new ATOM 0 HA LEU A 79 13.634 2.190 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.863 -0.438 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.722 -0.426 4.933 1.00 0.00 H new ATOM 0 HG LEU A 79 11.728 0.913 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.279 -1.033 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.770 -1.495 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.606 -1.822 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.278 0.875 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.605 0.161 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.768 1.805 5.362 1.00 0.00 H new ATOM 1136 N ASN A 80 15.563 1.384 6.098 1.00 0.00 N ATOM 1137 CA ASN A 80 16.779 1.226 6.885 1.00 0.00 C ATOM 1138 C ASN A 80 16.822 -0.158 7.534 1.00 0.00 C ATOM 1139 O ASN A 80 16.048 -0.444 8.448 1.00 0.00 O ATOM 1140 CB ASN A 80 16.857 2.309 7.963 1.00 0.00 C ATOM 1141 CG ASN A 80 17.428 3.610 7.434 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.642 3.754 7.287 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.553 4.566 7.146 1.00 0.00 N ATOM 0 H ASN A 80 14.725 1.564 6.651 1.00 0.00 H new ATOM 0 HA ASN A 80 17.635 1.327 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.860 2.490 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.474 1.953 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.878 5.464 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.556 4.403 7.283 1.00 0.00 H new ATOM 1150 N PRO A 81 17.726 -1.039 7.071 1.00 0.00 N ATOM 1151 CA PRO A 81 17.855 -2.393 7.614 1.00 0.00 C ATOM 1152 C PRO A 81 18.533 -2.410 8.978 1.00 0.00 C ATOM 1153 O PRO A 81 19.111 -1.412 9.410 1.00 0.00 O ATOM 1154 CB PRO A 81 18.725 -3.103 6.577 1.00 0.00 C ATOM 1155 CG PRO A 81 19.557 -2.019 5.988 1.00 0.00 C ATOM 1156 CD PRO A 81 18.691 -0.789 5.983 1.00 0.00 C ATOM 0 HA PRO A 81 16.885 -2.863 7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.344 -3.873 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.117 -3.595 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.461 -1.858 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.875 -2.276 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.275 0.113 6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.189 -0.656 5.025 1.00 0.00 H new ATOM 1164 N MET A 82 18.460 -3.552 9.651 1.00 0.00 N ATOM 1165 CA MET A 82 19.068 -3.707 10.967 1.00 0.00 C ATOM 1166 C MET A 82 20.577 -3.909 10.853 1.00 0.00 C ATOM 1167 O MET A 82 21.319 -3.661 11.804 1.00 0.00 O ATOM 1168 CB MET A 82 18.438 -4.888 11.707 1.00 0.00 C ATOM 1169 CG MET A 82 18.556 -6.206 10.958 1.00 0.00 C ATOM 1170 SD MET A 82 18.836 -7.607 12.058 1.00 0.00 S ATOM 1171 CE MET A 82 17.351 -8.565 11.770 1.00 0.00 C ATOM 0 H MET A 82 17.985 -4.386 9.306 1.00 0.00 H new ATOM 0 HA MET A 82 18.885 -2.793 11.532 1.00 0.00 H new ATOM 0 HB2 MET A 82 18.913 -4.990 12.683 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.384 -4.674 11.886 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.645 -6.376 10.384 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.376 -6.141 10.243 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.376 -9.467 12.382 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.477 -7.970 12.036 1.00 0.00 H new ATOM 0 HE3 MET A 82 17.295 -8.842 10.717 1.00 0.00 H new ATOM 1181 N ASP A 83 21.026 -4.362 9.685 1.00 0.00 N ATOM 1182 CA ASP A 83 22.446 -4.596 9.452 1.00 0.00 C ATOM 1183 C ASP A 83 23.191 -3.277 9.278 1.00 0.00 C ATOM 1184 O ASP A 83 24.258 -3.074 9.858 1.00 0.00 O ATOM 1185 CB ASP A 83 22.643 -5.474 8.215 1.00 0.00 C ATOM 1186 CG ASP A 83 22.709 -6.949 8.558 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.727 -7.471 9.128 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.742 -7.583 8.259 1.00 0.00 O ATOM 0 H ASP A 83 20.427 -4.574 8.887 1.00 0.00 H new ATOM 0 HA ASP A 83 22.853 -5.111 10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.824 -5.302 7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.562 -5.180 7.707 1.00 0.00 H new ATOM 1193 N GLY A 84 22.622 -2.383 8.476 1.00 0.00 N ATOM 1194 CA GLY A 84 23.247 -1.095 8.241 1.00 0.00 C ATOM 1195 C GLY A 84 23.052 -0.604 6.820 1.00 0.00 C ATOM 1196 O GLY A 84 22.861 -1.401 5.901 1.00 0.00 O ATOM 0 H GLY A 84 21.740 -2.528 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.834 -0.363 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.314 -1.169 8.453 1.00 0.00 H new ATOM 1200 N ASP A 85 23.101 0.712 6.640 1.00 0.00 N ATOM 1201 CA ASP A 85 22.930 1.314 5.323 1.00 0.00 C ATOM 1202 C ASP A 85 21.529 1.041 4.775 1.00 0.00 C ATOM 1203 O ASP A 85 21.151 -0.112 4.571 1.00 0.00 O ATOM 1204 CB ASP A 85 23.984 0.776 4.351 1.00 0.00 C ATOM 1205 CG ASP A 85 25.200 1.677 4.262 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.024 2.913 4.252 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.329 1.146 4.202 1.00 0.00 O ATOM 0 H ASP A 85 23.258 1.383 7.392 1.00 0.00 H new ATOM 0 HA ASP A 85 23.057 2.392 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.295 -0.219 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.541 0.669 3.361 1.00 0.00 H new ATOM 1212 N PRO A 86 20.737 2.101 4.528 1.00 0.00 N ATOM 1213 CA PRO A 86 19.376 1.959 4.001 1.00 0.00 C ATOM 1214 C PRO A 86 19.364 1.485 2.551 1.00 0.00 C ATOM 1215 O PRO A 86 20.263 1.808 1.775 1.00 0.00 O ATOM 1216 CB PRO A 86 18.803 3.374 4.105 1.00 0.00 C ATOM 1217 CG PRO A 86 19.993 4.268 4.059 1.00 0.00 C ATOM 1218 CD PRO A 86 21.102 3.515 4.739 1.00 0.00 C ATOM 0 HA PRO A 86 18.803 1.212 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.117 3.585 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.243 3.507 5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.259 4.511 3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.793 5.211 4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.073 3.749 4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.163 3.760 5.799 1.00 0.00 H new ATOM 1226 N VAL A 87 18.339 0.718 2.193 1.00 0.00 N ATOM 1227 CA VAL A 87 18.211 0.201 0.836 1.00 0.00 C ATOM 1228 C VAL A 87 16.835 0.511 0.258 1.00 0.00 C ATOM 1229 O VAL A 87 15.844 0.574 0.987 1.00 0.00 O ATOM 1230 CB VAL A 87 18.442 -1.321 0.790 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.884 -1.654 1.139 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.480 -2.037 1.725 1.00 0.00 C ATOM 0 H VAL A 87 17.586 0.441 2.823 1.00 0.00 H new ATOM 0 HA VAL A 87 18.975 0.695 0.236 1.00 0.00 H new ATOM 0 HB VAL A 87 18.250 -1.668 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.027 -2.734 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.552 -1.174 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.108 -1.293 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.659 -3.111 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.636 -1.687 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.454 -1.827 1.422 1.00 0.00 H new ATOM 1242 N GLU A 88 16.780 0.706 -1.055 1.00 0.00 N ATOM 1243 CA GLU A 88 15.525 1.011 -1.730 1.00 0.00 C ATOM 1244 C GLU A 88 14.577 -0.184 -1.685 1.00 0.00 C ATOM 1245 O GLU A 88 14.852 -1.230 -2.272 1.00 0.00 O ATOM 1246 CB GLU A 88 15.788 1.417 -3.183 1.00 0.00 C ATOM 1247 CG GLU A 88 15.404 2.856 -3.490 1.00 0.00 C ATOM 1248 CD GLU A 88 16.534 3.639 -4.130 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.588 3.798 -3.480 1.00 0.00 O ATOM 1250 OE2 GLU A 88 16.364 4.092 -5.281 1.00 0.00 O ATOM 0 H GLU A 88 17.590 0.658 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 88 15.054 1.844 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.846 1.276 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.232 0.752 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.540 2.863 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.101 3.352 -2.568 1.00 0.00 H new ATOM 1257 N ALA A 89 13.459 -0.019 -0.985 1.00 0.00 N ATOM 1258 CA ALA A 89 12.468 -1.081 -0.865 1.00 0.00 C ATOM 1259 C ALA A 89 11.248 -0.785 -1.730 1.00 0.00 C ATOM 1260 O ALA A 89 10.847 0.369 -1.878 1.00 0.00 O ATOM 1261 CB ALA A 89 12.058 -1.258 0.589 1.00 0.00 C ATOM 0 H ALA A 89 13.217 0.841 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 89 12.917 -2.010 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.317 -2.054 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.933 -1.519 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.629 -0.328 0.962 1.00 0.00 H new ATOM 1267 N ASN A 90 10.663 -1.832 -2.301 1.00 0.00 N ATOM 1268 CA ASN A 90 9.489 -1.677 -3.152 1.00 0.00 C ATOM 1269 C ASN A 90 8.476 -2.790 -2.901 1.00 0.00 C ATOM 1270 O ASN A 90 8.796 -3.973 -3.024 1.00 0.00 O ATOM 1271 CB ASN A 90 9.902 -1.657 -4.629 1.00 0.00 C ATOM 1272 CG ASN A 90 10.239 -3.036 -5.167 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.574 -3.541 -6.072 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.276 -3.651 -4.613 1.00 0.00 N ATOM 0 H ASN A 90 10.981 -2.795 -2.191 1.00 0.00 H new ATOM 0 HA ASN A 90 9.015 -0.727 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.093 -1.229 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.766 -1.004 -4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.550 -4.579 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.799 -3.195 -3.865 1.00 0.00 H new ATOM 1281 N VAL A 91 7.253 -2.403 -2.555 1.00 0.00 N ATOM 1282 CA VAL A 91 6.194 -3.369 -2.294 1.00 0.00 C ATOM 1283 C VAL A 91 4.893 -2.947 -2.968 1.00 0.00 C ATOM 1284 O VAL A 91 4.466 -1.799 -2.850 1.00 0.00 O ATOM 1285 CB VAL A 91 5.945 -3.546 -0.782 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.380 -2.270 -0.172 1.00 0.00 C ATOM 1287 CG2 VAL A 91 5.015 -4.722 -0.530 1.00 0.00 C ATOM 0 H VAL A 91 6.971 -1.428 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 91 6.526 -4.321 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 91 6.900 -3.754 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.213 -2.420 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.087 -1.453 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.435 -2.023 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.850 -4.832 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.061 -4.545 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.466 -5.633 -0.923 1.00 0.00 H new ATOM 1297 N ASN A 92 4.267 -3.882 -3.671 1.00 0.00 N ATOM 1298 CA ASN A 92 3.017 -3.607 -4.359 1.00 0.00 C ATOM 1299 C ASN A 92 1.833 -3.793 -3.411 1.00 0.00 C ATOM 1300 O ASN A 92 1.591 -4.891 -2.914 1.00 0.00 O ATOM 1301 CB ASN A 92 2.887 -4.523 -5.580 1.00 0.00 C ATOM 1302 CG ASN A 92 1.463 -4.641 -6.079 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.751 -3.645 -6.197 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.044 -5.865 -6.372 1.00 0.00 N ATOM 0 H ASN A 92 4.607 -4.838 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 92 3.016 -2.571 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.518 -4.141 -6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.261 -5.515 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.093 -6.011 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.672 -6.660 -6.258 1.00 0.00 H new ATOM 1311 N LEU A 93 1.102 -2.710 -3.164 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.053 -2.753 -2.273 1.00 0.00 C ATOM 1313 C LEU A 93 -1.051 -3.820 -2.717 1.00 0.00 C ATOM 1314 O LEU A 93 -1.653 -4.503 -1.889 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.739 -1.386 -2.225 1.00 0.00 C ATOM 1316 CG LEU A 93 0.185 -0.209 -1.910 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.613 1.080 -1.794 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.965 -0.472 -0.630 1.00 0.00 C ATOM 0 H LEU A 93 1.289 -1.792 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 93 0.303 -3.010 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.220 -1.204 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.529 -1.419 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 93 0.895 -0.100 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.061 1.906 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.126 1.276 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.347 0.983 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.618 0.376 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.270 -0.608 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.567 -1.373 -0.749 1.00 0.00 H new ATOM 1330 N SER A 94 -1.216 -3.963 -4.028 1.00 0.00 N ATOM 1331 CA SER A 94 -2.137 -4.952 -4.581 1.00 0.00 C ATOM 1332 C SER A 94 -1.751 -6.370 -4.163 1.00 0.00 C ATOM 1333 O SER A 94 -2.529 -7.305 -4.330 1.00 0.00 O ATOM 1334 CB SER A 94 -2.172 -4.857 -6.107 1.00 0.00 C ATOM 1335 OG SER A 94 -3.152 -3.930 -6.538 1.00 0.00 O ATOM 0 H SER A 94 -0.724 -3.407 -4.728 1.00 0.00 H new ATOM 0 HA SER A 94 -3.128 -4.735 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.193 -4.555 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.384 -5.839 -6.531 1.00 0.00 H new ATOM 0 HG SER A 94 -3.817 -4.390 -7.091 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.544 -6.530 -3.633 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.069 -7.841 -3.208 1.00 0.00 C ATOM 1343 C GLU A 95 -0.975 -8.438 -2.138 1.00 0.00 C ATOM 1344 O GLU A 95 -1.347 -9.609 -2.211 1.00 0.00 O ATOM 1345 CB GLU A 95 1.360 -7.745 -2.674 1.00 0.00 C ATOM 1346 CG GLU A 95 2.415 -7.645 -3.764 1.00 0.00 C ATOM 1347 CD GLU A 95 3.531 -8.657 -3.592 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.269 -9.866 -3.768 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.667 -8.241 -3.282 1.00 0.00 O ATOM 0 H GLU A 95 0.122 -5.771 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.086 -8.495 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.438 -6.873 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.568 -8.620 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.943 -7.792 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.838 -6.640 -3.764 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.316 -7.634 -1.136 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.166 -8.098 -0.045 1.00 0.00 C ATOM 1358 C ARG A 96 -3.154 -7.021 0.391 1.00 0.00 C ATOM 1359 O ARG A 96 -3.407 -6.847 1.583 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.305 -8.516 1.148 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.366 -9.673 0.850 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.907 -10.980 1.401 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.443 -11.230 2.764 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.717 -12.338 3.449 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.450 -13.300 2.903 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.255 -12.484 4.684 1.00 0.00 N ATOM 0 H ARG A 96 -1.018 -6.662 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.734 -8.955 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.718 -7.659 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.958 -8.794 1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.225 -9.761 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.613 -9.470 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.997 -10.957 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.597 -11.802 0.756 1.00 0.00 H new ATOM 0 HE ARG A 96 0.124 -10.513 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.807 -13.193 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.657 -14.147 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.310 -11.748 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.464 -13.333 5.210 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.719 -6.304 -0.573 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.683 -5.257 -0.265 1.00 0.00 C ATOM 1382 C ILE A 97 -5.986 -5.491 -1.019 1.00 0.00 C ATOM 1383 O ILE A 97 -6.011 -5.480 -2.246 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.118 -3.863 -0.614 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.939 -3.529 0.302 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.199 -2.794 -0.499 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.330 -3.353 1.753 1.00 0.00 C ATOM 0 H ILE A 97 -3.528 -6.428 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.881 -5.292 0.806 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.769 -3.882 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.196 -4.323 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.463 -2.614 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.777 -1.821 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.013 -3.024 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.581 -2.772 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.444 -3.118 2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.050 -2.539 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.778 -4.275 2.123 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.067 -5.696 -0.278 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.354 -5.932 -0.905 1.00 0.00 C ATOM 1401 C GLY A 98 -9.391 -4.894 -0.522 1.00 0.00 C ATOM 1402 O GLY A 98 -9.088 -3.935 0.187 1.00 0.00 O ATOM 0 H GLY A 98 -7.077 -5.703 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.231 -5.934 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.715 -6.921 -0.623 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.620 -5.090 -0.990 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.710 -4.168 -0.691 1.00 0.00 C ATOM 1408 C ASN A 99 -12.975 -4.930 -0.311 1.00 0.00 C ATOM 1409 O ASN A 99 -13.635 -5.522 -1.165 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.988 -3.264 -1.893 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.307 -4.052 -3.148 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.528 -4.904 -3.575 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.459 -3.771 -3.746 1.00 0.00 N ATOM 0 H ASN A 99 -10.886 -5.880 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.409 -3.551 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.822 -2.602 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.120 -2.630 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.728 -4.269 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.075 -3.057 -3.357 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.309 -4.911 0.976 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.496 -5.601 1.467 1.00 0.00 C ATOM 1422 C ASP A 100 -15.675 -4.641 1.583 1.00 0.00 C ATOM 1423 O ASP A 100 -15.638 -3.687 2.361 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.212 -6.244 2.826 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.370 -7.090 3.319 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.264 -6.537 3.994 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.383 -8.305 3.031 1.00 0.00 O ATOM 0 H ASP A 100 -12.775 -4.426 1.697 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.755 -6.380 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.319 -6.864 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.999 -5.464 3.557 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.721 -4.900 0.804 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.914 -4.060 0.818 1.00 0.00 C ATOM 1434 C CYS A 101 -17.560 -2.601 0.547 1.00 0.00 C ATOM 1435 O CYS A 101 -18.222 -1.688 1.041 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.631 -4.180 2.165 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.290 -3.461 2.185 1.00 0.00 S ATOM 0 H CYS A 101 -16.767 -5.685 0.155 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.578 -4.406 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.700 -5.234 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.027 -3.694 2.931 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.254 -2.273 1.658 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.509 -2.389 -0.239 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.085 -1.039 -0.559 1.00 0.00 C ATOM 1445 C GLY A 102 -15.042 -0.508 0.407 1.00 0.00 C ATOM 1446 O GLY A 102 -14.374 0.486 0.123 1.00 0.00 O ATOM 0 H GLY A 102 -15.944 -3.127 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.680 -1.020 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.952 -0.379 -0.550 1.00 0.00 H new ATOM 1450 N THR A 103 -14.902 -1.170 1.553 1.00 0.00 N ATOM 1451 CA THR A 103 -13.934 -0.753 2.561 1.00 0.00 C ATOM 1452 C THR A 103 -12.565 -1.364 2.286 1.00 0.00 C ATOM 1453 O THR A 103 -12.463 -2.493 1.806 1.00 0.00 O ATOM 1454 CB THR A 103 -14.414 -1.155 3.956 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.778 -0.816 4.134 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.629 -0.500 5.071 1.00 0.00 C ATOM 0 H THR A 103 -15.446 -1.995 1.805 1.00 0.00 H new ATOM 0 HA THR A 103 -13.843 0.332 2.514 1.00 0.00 H new ATOM 0 HB THR A 103 -14.264 -2.233 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.067 -1.083 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.021 -0.828 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.579 -0.782 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.720 0.583 4.992 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.515 -0.610 2.593 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.150 -1.077 2.380 1.00 0.00 C ATOM 1466 C LEU A 104 -9.777 -2.144 3.406 1.00 0.00 C ATOM 1467 O LEU A 104 -9.945 -1.947 4.609 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.170 0.097 2.461 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.585 0.547 1.121 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.647 -0.513 0.565 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.698 0.849 0.129 1.00 0.00 C ATOM 0 H LEU A 104 -11.583 0.327 2.990 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.091 -1.520 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.679 0.944 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.350 -0.179 3.124 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.012 1.460 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.241 -0.175 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.831 -0.682 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.196 -1.443 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.264 1.168 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.297 -0.048 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.331 1.644 0.524 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.272 -3.274 2.921 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.878 -4.371 3.796 1.00 0.00 C ATOM 1485 C ILE A 105 -7.525 -4.943 3.388 1.00 0.00 C ATOM 1486 O ILE A 105 -6.956 -4.551 2.369 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.925 -5.502 3.789 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.107 -6.051 2.373 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.250 -5.000 4.343 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.301 -7.551 2.327 1.00 0.00 C ATOM 0 H ILE A 105 -9.126 -3.453 1.928 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.806 -3.960 4.803 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.569 -6.310 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.968 -5.567 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.235 -5.787 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.979 -5.810 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.108 -4.653 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.613 -4.176 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.424 -7.870 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.430 -8.044 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.190 -7.821 2.898 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.015 -5.871 4.191 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.729 -6.497 3.918 1.00 0.00 C ATOM 1504 C PHE A 106 -5.867 -8.018 3.881 1.00 0.00 C ATOM 1505 O PHE A 106 -6.569 -8.607 4.703 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.704 -6.074 4.977 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.571 -7.044 5.152 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.686 -8.104 6.033 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.397 -6.896 4.433 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.649 -9.002 6.197 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.356 -7.790 4.592 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.481 -8.845 5.475 1.00 0.00 C ATOM 0 H PHE A 106 -7.475 -6.206 5.038 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.380 -6.165 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.296 -5.100 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.214 -5.950 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.597 -8.231 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.294 -6.073 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.751 -9.825 6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.445 -7.664 4.026 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.668 -9.545 5.601 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.194 -8.645 2.922 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.242 -10.096 2.779 1.00 0.00 C ATOM 1524 C LEU A 107 -4.549 -10.781 3.952 1.00 0.00 C ATOM 1525 O LEU A 107 -3.325 -10.907 3.976 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.582 -10.519 1.465 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.509 -10.529 0.249 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.182 -9.176 0.079 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.735 -10.903 -1.006 1.00 0.00 C ATOM 0 H LEU A 107 -4.609 -8.172 2.233 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.288 -10.402 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.748 -9.847 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.163 -11.517 1.591 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.284 -11.278 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.838 -9.203 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.769 -8.947 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.423 -8.407 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.409 -10.906 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.939 -10.177 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.301 -11.895 -0.883 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.341 -11.223 4.923 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.805 -11.896 6.100 1.00 0.00 C ATOM 1543 C ALA A 108 -5.394 -13.294 6.248 1.00 0.00 C ATOM 1544 O ALA A 108 -4.689 -14.270 5.914 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.080 -11.071 7.348 1.00 0.00 C ATOM 1546 OXT ALA A 108 -6.554 -13.403 6.698 1.00 0.00 O ATOM 0 H ALA A 108 -6.356 -11.127 4.918 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.727 -11.996 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.675 -11.584 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.607 -10.094 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.156 -10.943 7.470 1.00 0.00 H new