USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 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 58 SER OG : rot 170:sc= -1.21! USER MOD Set 1.2: A 80 ASN : amide:sc= 0.0415 X(o=-1.2,f=-1.6) USER MOD Set 2.1: A 8 SER OG : rot 124:sc= -2.83! USER MOD Set 2.2: A 23 CYS SG : rot 46:sc= -1.83 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -2.14 F(o=-4.7,f=-2.8) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.679 K(o=-2.8,f=-5) USER MOD Set 4.1: A 5 HIS :FLIP no HD1:sc= -3.27 F(o=-8.4!,f=-4.7) USER MOD Set 4.2: A 94 SER OG : rot -114:sc= -1.45 USER MOD Single : A 3 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-7.7!) USER MOD Single : A 20 HIS : no HE2:sc= -5.47 K(o=-5.5,f=-8.7!) USER MOD Single : A 25 ASN : amide:sc= -2.44 K(o=-2.4,f=-3.9!) USER MOD Single : A 33 SER OG : rot 17:sc= -1.03 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 85:sc= 0.478 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.95! C(o=-5.9!,f=-17!) 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= -0.253 F(o=-1,f=-0.25) USER MOD Single : A 56 SER OG : rot -22:sc= 0.0549 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.885 X(o=-0.88,f=-0.49) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.42) USER MOD Single : A 92 ASN : amide:sc= -7.27! C(o=-7.3!,f=-13!) USER MOD Single : A 99 ASN : amide:sc= -2.08 K(o=-2.1,f=-4.8!) USER MOD Single : A 101 CYS SG : rot -51:sc= -0.213 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.518 -8.593 -4.166 1.00 0.00 N ATOM 21 CA GLY A 2 -5.099 -7.282 -3.944 1.00 0.00 C ATOM 22 C GLY A 2 -5.664 -6.674 -5.206 1.00 0.00 C ATOM 23 O GLY A 2 -5.246 -5.601 -5.640 1.00 0.00 O ATOM 0 HA2 GLY A 2 -5.890 -7.361 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.339 -6.617 -3.534 1.00 0.00 H new ATOM 27 N ASN A 3 -6.637 -7.364 -5.774 1.00 0.00 N ATOM 28 CA ASN A 3 -7.314 -6.916 -6.979 1.00 0.00 C ATOM 29 C ASN A 3 -8.006 -5.575 -6.752 1.00 0.00 C ATOM 30 O ASN A 3 -8.424 -4.917 -7.703 1.00 0.00 O ATOM 31 CB ASN A 3 -8.332 -7.960 -7.434 1.00 0.00 C ATOM 32 CG ASN A 3 -7.738 -8.965 -8.401 1.00 0.00 C ATOM 33 OD1 ASN A 3 -6.801 -8.656 -9.137 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.282 -10.176 -8.404 1.00 0.00 N ATOM 0 H ASN A 3 -6.981 -8.253 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.564 -6.786 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.723 -8.486 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.175 -7.458 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.924 -10.894 -9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.058 -10.388 -7.777 1.00 0.00 H new ATOM 41 N PHE A 4 -8.160 -5.188 -5.483 1.00 0.00 N ATOM 42 CA PHE A 4 -8.842 -3.943 -5.141 1.00 0.00 C ATOM 43 C PHE A 4 -8.369 -2.787 -6.019 1.00 0.00 C ATOM 44 O PHE A 4 -9.139 -1.881 -6.334 1.00 0.00 O ATOM 45 CB PHE A 4 -8.610 -3.601 -3.664 1.00 0.00 C ATOM 46 CG PHE A 4 -7.415 -2.716 -3.424 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.133 -3.176 -3.683 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.577 -1.424 -2.949 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.035 -2.363 -3.472 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.482 -0.607 -2.735 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.210 -1.077 -2.998 1.00 0.00 C ATOM 0 H PHE A 4 -7.822 -5.719 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.908 -4.089 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.499 -3.109 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.483 -4.526 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.991 -4.180 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.570 -1.051 -2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.041 -2.733 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.621 0.397 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.353 -0.440 -2.833 1.00 0.00 H new ATOM 61 N HIS A 5 -7.103 -2.825 -6.411 1.00 0.00 N ATOM 62 CA HIS A 5 -6.539 -1.779 -7.251 1.00 0.00 C ATOM 63 C HIS A 5 -7.209 -1.761 -8.622 1.00 0.00 C ATOM 64 O HIS A 5 -7.395 -0.701 -9.220 1.00 0.00 O ATOM 65 CB HIS A 5 -5.028 -1.979 -7.397 1.00 0.00 C ATOM 66 CG HIS A 5 -4.633 -2.866 -8.541 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.670 -4.213 -8.676 1.00 0.00 N flip ATOM 68 CD2 HIS A 5 -4.136 -2.377 -9.731 1.00 0.00 C flip ATOM 69 CE1 HIS A 5 -4.199 -4.509 -9.932 1.00 0.00 C flip ATOM 70 NE2 HIS A 5 -3.885 -3.384 -10.548 1.00 0.00 N flip ATOM 0 H HIS A 5 -6.449 -3.567 -6.161 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.723 -0.817 -6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.555 -1.006 -7.526 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.638 -2.403 -6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -3.977 -1.333 -9.959 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.101 -5.501 -10.348 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -3.512 -3.306 -11.494 1.00 0.00 H new ATOM 79 N GLU A 6 -7.563 -2.943 -9.115 1.00 0.00 N ATOM 80 CA GLU A 6 -8.206 -3.064 -10.416 1.00 0.00 C ATOM 81 C GLU A 6 -9.695 -2.734 -10.331 1.00 0.00 C ATOM 82 O GLU A 6 -10.323 -2.400 -11.335 1.00 0.00 O ATOM 83 CB GLU A 6 -7.998 -4.475 -10.976 1.00 0.00 C ATOM 84 CG GLU A 6 -8.862 -5.541 -10.317 1.00 0.00 C ATOM 85 CD GLU A 6 -9.675 -6.335 -11.322 1.00 0.00 C ATOM 86 OE1 GLU A 6 -10.472 -5.719 -12.060 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.514 -7.573 -11.370 1.00 0.00 O ATOM 0 H GLU A 6 -7.415 -3.830 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.745 -2.344 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.207 -4.464 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.950 -4.749 -10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.225 -6.221 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.536 -5.067 -9.603 1.00 0.00 H new ATOM 94 N SER A 7 -10.254 -2.829 -9.127 1.00 0.00 N ATOM 95 CA SER A 7 -11.668 -2.540 -8.919 1.00 0.00 C ATOM 96 C SER A 7 -11.858 -1.287 -8.066 1.00 0.00 C ATOM 97 O SER A 7 -12.926 -1.074 -7.493 1.00 0.00 O ATOM 98 CB SER A 7 -12.360 -3.730 -8.253 1.00 0.00 C ATOM 99 OG SER A 7 -12.088 -4.934 -8.949 1.00 0.00 O ATOM 0 H SER A 7 -9.750 -3.103 -8.284 1.00 0.00 H new ATOM 0 HA SER A 7 -12.119 -2.361 -9.895 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.023 -3.819 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.436 -3.559 -8.223 1.00 0.00 H new ATOM 0 HG SER A 7 -12.540 -5.680 -8.502 1.00 0.00 H new ATOM 105 N SER A 8 -10.819 -0.458 -7.985 1.00 0.00 N ATOM 106 CA SER A 8 -10.887 0.770 -7.201 1.00 0.00 C ATOM 107 C SER A 8 -10.351 1.956 -7.995 1.00 0.00 C ATOM 108 O SER A 8 -9.537 1.792 -8.904 1.00 0.00 O ATOM 109 CB SER A 8 -10.097 0.617 -5.900 1.00 0.00 C ATOM 110 OG SER A 8 -10.196 1.785 -5.103 1.00 0.00 O ATOM 0 H SER A 8 -9.925 -0.614 -8.451 1.00 0.00 H new ATOM 0 HA SER A 8 -11.934 0.958 -6.963 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.472 -0.241 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.050 0.416 -6.128 1.00 0.00 H new ATOM 0 HG SER A 8 -10.549 1.549 -4.220 1.00 0.00 H new ATOM 116 N ASN A 9 -10.814 3.151 -7.644 1.00 0.00 N ATOM 117 CA ASN A 9 -10.384 4.368 -8.318 1.00 0.00 C ATOM 118 C ASN A 9 -9.703 5.316 -7.336 1.00 0.00 C ATOM 119 O ASN A 9 -9.887 5.210 -6.124 1.00 0.00 O ATOM 120 CB ASN A 9 -11.578 5.061 -8.979 1.00 0.00 C ATOM 121 CG ASN A 9 -11.233 6.433 -9.523 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.207 7.426 -8.642 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.991 6.599 -10.719 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.489 3.302 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.664 4.095 -9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.951 4.437 -9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.385 5.156 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.023 5.807 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.759 7.529 -11.068 1.00 0.00 H new ATOM 130 N ASN A 10 -8.916 6.239 -7.872 1.00 0.00 N ATOM 131 CA ASN A 10 -8.203 7.208 -7.048 1.00 0.00 C ATOM 132 C ASN A 10 -7.242 6.507 -6.092 1.00 0.00 C ATOM 133 O ASN A 10 -7.321 6.683 -4.876 1.00 0.00 O ATOM 134 CB ASN A 10 -9.196 8.065 -6.260 1.00 0.00 C ATOM 135 CG ASN A 10 -9.636 9.296 -7.028 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.508 9.358 -8.250 1.00 0.00 O ATOM 137 ND2 ASN A 10 -10.159 10.285 -6.312 1.00 0.00 N ATOM 0 H ASN A 10 -8.755 6.338 -8.874 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.622 7.853 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.071 7.465 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.740 8.371 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.473 11.138 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.246 10.191 -5.300 1.00 0.00 H new ATOM 144 N ILE A 11 -6.334 5.714 -6.650 1.00 0.00 N ATOM 145 CA ILE A 11 -5.355 4.988 -5.847 1.00 0.00 C ATOM 146 C ILE A 11 -4.056 5.778 -5.736 1.00 0.00 C ATOM 147 O ILE A 11 -3.388 6.037 -6.737 1.00 0.00 O ATOM 148 CB ILE A 11 -5.043 3.594 -6.434 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.227 3.064 -7.249 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.690 2.620 -5.320 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.525 3.013 -6.472 1.00 0.00 C ATOM 0 H ILE A 11 -6.255 5.557 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.797 4.858 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.187 3.690 -7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.364 3.695 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.990 2.063 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.472 1.641 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.814 2.984 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.530 2.536 -4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.318 2.628 -7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.407 2.359 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.786 4.016 -6.134 1.00 0.00 H new ATOM 163 N TRP A 12 -3.705 6.163 -4.514 1.00 0.00 N ATOM 164 CA TRP A 12 -2.486 6.928 -4.276 1.00 0.00 C ATOM 165 C TRP A 12 -2.072 6.854 -2.810 1.00 0.00 C ATOM 166 O TRP A 12 -2.684 6.139 -2.017 1.00 0.00 O ATOM 167 CB TRP A 12 -2.691 8.388 -4.684 1.00 0.00 C ATOM 168 CG TRP A 12 -3.787 9.067 -3.922 1.00 0.00 C ATOM 169 CD1 TRP A 12 -5.123 8.793 -3.988 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.642 10.134 -2.977 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.818 9.624 -3.142 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.931 10.456 -2.510 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.548 10.848 -2.480 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -5.154 11.461 -1.572 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.771 11.845 -1.548 1.00 0.00 C ATOM 176 CH2 TRP A 12 -4.065 12.142 -1.102 1.00 0.00 C ATOM 0 H TRP A 12 -4.246 5.958 -3.674 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.691 6.493 -4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.760 8.935 -4.533 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.917 8.432 -5.749 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.569 8.034 -4.614 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.829 9.622 -3.007 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.547 10.625 -2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.151 11.694 -1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.933 12.404 -1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.206 12.925 -0.372 1.00 0.00 H new ATOM 187 N LEU A 13 -1.029 7.599 -2.457 1.00 0.00 N ATOM 188 CA LEU A 13 -0.533 7.619 -1.087 1.00 0.00 C ATOM 189 C LEU A 13 -0.344 9.051 -0.598 1.00 0.00 C ATOM 190 O LEU A 13 0.079 9.925 -1.355 1.00 0.00 O ATOM 191 CB LEU A 13 0.788 6.854 -0.988 1.00 0.00 C ATOM 192 CG LEU A 13 1.005 6.106 0.328 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.114 5.102 0.565 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.359 5.411 0.327 1.00 0.00 C ATOM 0 H LEU A 13 -0.511 8.197 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.273 7.132 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.838 6.138 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.609 7.557 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 13 0.991 6.830 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.059 4.580 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.069 5.626 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.134 4.380 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.498 4.883 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.402 4.699 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.149 6.153 0.207 1.00 0.00 H new ATOM 206 N GLU A 14 -0.662 9.284 0.671 1.00 0.00 N ATOM 207 CA GLU A 14 -0.529 10.609 1.263 1.00 0.00 C ATOM 208 C GLU A 14 0.489 10.596 2.399 1.00 0.00 C ATOM 209 O GLU A 14 0.369 9.816 3.344 1.00 0.00 O ATOM 210 CB GLU A 14 -1.886 11.096 1.777 1.00 0.00 C ATOM 211 CG GLU A 14 -1.817 12.411 2.537 1.00 0.00 C ATOM 212 CD GLU A 14 -3.155 12.818 3.123 1.00 0.00 C ATOM 213 OE1 GLU A 14 -4.193 12.330 2.627 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.165 13.623 4.077 1.00 0.00 O ATOM 0 H GLU A 14 -1.014 8.571 1.310 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.174 11.294 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.565 11.211 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.313 10.333 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.085 12.324 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.464 13.195 1.867 1.00 0.00 H new ATOM 221 N ASP A 15 1.490 11.463 2.298 1.00 0.00 N ATOM 222 CA ASP A 15 2.532 11.552 3.316 1.00 0.00 C ATOM 223 C ASP A 15 3.292 10.233 3.444 1.00 0.00 C ATOM 224 O ASP A 15 3.981 9.998 4.437 1.00 0.00 O ATOM 225 CB ASP A 15 1.920 11.937 4.664 1.00 0.00 C ATOM 226 CG ASP A 15 2.015 13.425 4.939 1.00 0.00 C ATOM 227 OD1 ASP A 15 1.755 14.218 4.009 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.348 13.798 6.083 1.00 0.00 O ATOM 0 H ASP A 15 1.603 12.115 1.522 1.00 0.00 H new ATOM 0 HA ASP A 15 3.239 12.323 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.874 11.633 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.427 11.390 5.459 1.00 0.00 H new ATOM 233 N GLY A 16 3.168 9.377 2.433 1.00 0.00 N ATOM 234 CA GLY A 16 3.853 8.099 2.453 1.00 0.00 C ATOM 235 C GLY A 16 3.469 7.236 3.641 1.00 0.00 C ATOM 236 O GLY A 16 4.338 6.733 4.353 1.00 0.00 O ATOM 0 H GLY A 16 2.604 9.547 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.630 7.560 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.929 8.271 2.469 1.00 0.00 H new ATOM 240 N HIS A 17 2.168 7.050 3.851 1.00 0.00 N ATOM 241 CA HIS A 17 1.690 6.225 4.958 1.00 0.00 C ATOM 242 C HIS A 17 0.169 6.044 4.923 1.00 0.00 C ATOM 243 O HIS A 17 -0.348 5.036 5.406 1.00 0.00 O ATOM 244 CB HIS A 17 2.142 6.808 6.304 1.00 0.00 C ATOM 245 CG HIS A 17 1.362 8.002 6.767 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.424 9.232 6.147 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.520 8.153 7.817 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.655 10.089 6.797 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.095 9.459 7.813 1.00 0.00 N ATOM 0 H HIS A 17 1.431 7.456 3.274 1.00 0.00 H new ATOM 0 HA HIS A 17 2.134 5.236 4.843 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.071 6.029 7.063 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.193 7.086 6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.236 7.389 8.525 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.510 11.128 6.540 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.549 9.875 8.486 1.00 0.00 H new ATOM 258 N ILE A 18 -0.545 7.010 4.348 1.00 0.00 N ATOM 259 CA ILE A 18 -2.000 6.927 4.255 1.00 0.00 C ATOM 260 C ILE A 18 -2.437 6.506 2.855 1.00 0.00 C ATOM 261 O ILE A 18 -1.926 7.011 1.855 1.00 0.00 O ATOM 262 CB ILE A 18 -2.669 8.270 4.612 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.246 8.712 6.013 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.185 8.159 4.516 1.00 0.00 C ATOM 265 CD1 ILE A 18 -2.857 7.885 7.125 1.00 0.00 C ATOM 0 H ILE A 18 -0.142 7.854 3.942 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.319 6.173 4.975 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.341 9.024 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.160 8.659 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.525 9.756 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.637 9.117 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.466 7.885 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.538 7.395 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.510 8.258 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.944 7.957 7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.557 6.843 7.010 1.00 0.00 H new ATOM 277 N LEU A 19 -3.385 5.576 2.792 1.00 0.00 N ATOM 278 CA LEU A 19 -3.893 5.082 1.517 1.00 0.00 C ATOM 279 C LEU A 19 -5.350 5.479 1.313 1.00 0.00 C ATOM 280 O LEU A 19 -6.144 5.471 2.254 1.00 0.00 O ATOM 281 CB LEU A 19 -3.760 3.560 1.448 1.00 0.00 C ATOM 282 CG LEU A 19 -4.234 2.926 0.139 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.507 1.614 -0.112 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.741 2.710 0.164 1.00 0.00 C ATOM 0 H LEU A 19 -3.818 5.149 3.611 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.298 5.534 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.714 3.295 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.326 3.124 2.271 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.001 3.608 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.857 1.177 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.435 1.799 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.708 0.924 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.059 2.258 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.000 2.049 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.244 3.668 0.295 1.00 0.00 H new ATOM 296 N HIS A 20 -5.696 5.816 0.076 1.00 0.00 N ATOM 297 CA HIS A 20 -7.061 6.206 -0.262 1.00 0.00 C ATOM 298 C HIS A 20 -7.465 5.608 -1.605 1.00 0.00 C ATOM 299 O HIS A 20 -6.711 5.674 -2.575 1.00 0.00 O ATOM 300 CB HIS A 20 -7.207 7.733 -0.305 1.00 0.00 C ATOM 301 CG HIS A 20 -6.028 8.477 0.244 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.783 8.451 -0.347 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.909 9.270 1.335 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.949 9.195 0.357 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.608 9.704 1.382 1.00 0.00 N ATOM 0 H HIS A 20 -5.049 5.827 -0.712 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.721 5.821 0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.369 8.043 -1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.096 8.018 0.257 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.543 7.938 -1.195 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.692 9.515 2.037 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.905 9.359 0.133 1.00 0.00 H new ATOM 314 N ALA A 21 -8.653 5.020 -1.653 1.00 0.00 N ATOM 315 CA ALA A 21 -9.147 4.407 -2.878 1.00 0.00 C ATOM 316 C ALA A 21 -10.660 4.226 -2.835 1.00 0.00 C ATOM 317 O ALA A 21 -11.245 4.046 -1.767 1.00 0.00 O ATOM 318 CB ALA A 21 -8.457 3.071 -3.105 1.00 0.00 C ATOM 0 H ALA A 21 -9.291 4.955 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.917 5.073 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.832 2.619 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.382 3.227 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.662 2.408 -2.264 1.00 0.00 H new ATOM 324 N GLU A 22 -11.289 4.276 -4.005 1.00 0.00 N ATOM 325 CA GLU A 22 -12.736 4.118 -4.104 1.00 0.00 C ATOM 326 C GLU A 22 -13.096 2.711 -4.567 1.00 0.00 C ATOM 327 O GLU A 22 -13.072 2.415 -5.761 1.00 0.00 O ATOM 328 CB GLU A 22 -13.322 5.148 -5.074 1.00 0.00 C ATOM 329 CG GLU A 22 -12.626 6.498 -5.029 1.00 0.00 C ATOM 330 CD GLU A 22 -13.597 7.658 -5.137 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.361 7.703 -6.124 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.593 8.521 -4.234 1.00 0.00 O ATOM 0 H GLU A 22 -10.819 4.425 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.161 4.280 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.263 4.753 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.379 5.287 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.066 6.583 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.903 6.557 -5.842 1.00 0.00 H new ATOM 339 N CYS A 23 -13.430 1.846 -3.615 1.00 0.00 N ATOM 340 CA CYS A 23 -13.794 0.470 -3.928 1.00 0.00 C ATOM 341 C CYS A 23 -15.307 0.283 -3.887 1.00 0.00 C ATOM 342 O CYS A 23 -15.964 0.662 -2.918 1.00 0.00 O ATOM 343 CB CYS A 23 -13.122 -0.492 -2.946 1.00 0.00 C ATOM 344 SG CYS A 23 -11.378 -0.131 -2.633 1.00 0.00 S ATOM 0 H CYS A 23 -13.456 2.074 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.448 0.250 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.663 -0.465 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.208 -1.507 -3.333 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.230 1.143 -2.422 1.00 0.00 H new ATOM 350 N GLY A 24 -15.854 -0.304 -4.947 1.00 0.00 N ATOM 351 CA GLY A 24 -17.286 -0.531 -5.012 1.00 0.00 C ATOM 352 C GLY A 24 -17.729 -1.685 -4.133 1.00 0.00 C ATOM 353 O GLY A 24 -16.901 -2.361 -3.522 1.00 0.00 O ATOM 0 H GLY A 24 -15.331 -0.626 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.809 0.376 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.573 -0.733 -6.044 1.00 0.00 H new ATOM 357 N ASN A 25 -19.037 -1.910 -4.068 1.00 0.00 N ATOM 358 CA ASN A 25 -19.587 -2.991 -3.254 1.00 0.00 C ATOM 359 C ASN A 25 -20.273 -4.038 -4.128 1.00 0.00 C ATOM 360 O ASN A 25 -20.322 -5.216 -3.778 1.00 0.00 O ATOM 361 CB ASN A 25 -20.576 -2.447 -2.213 1.00 0.00 C ATOM 362 CG ASN A 25 -20.976 -1.005 -2.466 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.677 -0.116 -1.667 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.654 -0.765 -3.581 1.00 0.00 N ATOM 0 H ASN A 25 -19.736 -1.360 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.756 -3.464 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.470 -3.070 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.130 -2.525 -1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.949 0.186 -3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.881 -1.531 -4.215 1.00 0.00 H new ATOM 433 N VAL A 31 -17.372 3.313 -3.125 1.00 0.00 N ATOM 434 CA VAL A 31 -17.208 3.693 -1.727 1.00 0.00 C ATOM 435 C VAL A 31 -15.792 4.186 -1.454 1.00 0.00 C ATOM 436 O VAL A 31 -14.815 3.533 -1.819 1.00 0.00 O ATOM 437 CB VAL A 31 -17.519 2.516 -0.783 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.544 2.983 0.664 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.839 1.861 -1.162 1.00 0.00 C ATOM 0 HA VAL A 31 -17.915 4.500 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.728 1.773 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.765 2.138 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.572 3.400 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.312 3.746 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.042 1.032 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.643 2.594 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.780 1.488 -2.184 1.00 0.00 H new ATOM 449 N GLU A 32 -15.689 5.343 -0.808 1.00 0.00 N ATOM 450 CA GLU A 32 -14.396 5.927 -0.484 1.00 0.00 C ATOM 451 C GLU A 32 -13.868 5.369 0.836 1.00 0.00 C ATOM 452 O GLU A 32 -14.513 5.495 1.877 1.00 0.00 O ATOM 453 CB GLU A 32 -14.519 7.453 -0.410 1.00 0.00 C ATOM 454 CG GLU A 32 -13.344 8.134 0.271 1.00 0.00 C ATOM 455 CD GLU A 32 -12.944 9.428 -0.411 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.512 10.484 -0.061 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.061 9.386 -1.293 1.00 0.00 O ATOM 0 H GLU A 32 -16.489 5.895 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.687 5.666 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.620 7.849 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.434 7.708 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.601 8.340 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.492 7.455 0.282 1.00 0.00 H new ATOM 464 N SER A 33 -12.692 4.753 0.784 1.00 0.00 N ATOM 465 CA SER A 33 -12.077 4.177 1.974 1.00 0.00 C ATOM 466 C SER A 33 -10.585 4.492 2.021 1.00 0.00 C ATOM 467 O SER A 33 -10.014 4.981 1.046 1.00 0.00 O ATOM 468 CB SER A 33 -12.291 2.663 2.004 1.00 0.00 C ATOM 469 OG SER A 33 -13.593 2.341 2.465 1.00 0.00 O ATOM 0 H SER A 33 -12.146 4.640 -0.070 1.00 0.00 H new ATOM 0 HA SER A 33 -12.553 4.621 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.143 2.252 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.547 2.200 2.653 1.00 0.00 H new ATOM 0 HG SER A 33 -14.163 3.136 2.416 1.00 0.00 H new ATOM 475 N THR A 34 -9.961 4.212 3.159 1.00 0.00 N ATOM 476 CA THR A 34 -8.536 4.470 3.331 1.00 0.00 C ATOM 477 C THR A 34 -7.899 3.431 4.247 1.00 0.00 C ATOM 478 O THR A 34 -8.582 2.792 5.048 1.00 0.00 O ATOM 479 CB THR A 34 -8.317 5.871 3.903 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.038 6.038 5.110 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.741 6.976 2.959 1.00 0.00 C ATOM 0 H THR A 34 -10.418 3.807 3.976 1.00 0.00 H new ATOM 0 HA THR A 34 -8.061 4.404 2.352 1.00 0.00 H new ATOM 0 HB THR A 34 -7.243 5.950 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.884 6.940 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.559 7.944 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.167 6.905 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.803 6.876 2.735 1.00 0.00 H new ATOM 489 N LEU A 35 -6.586 3.269 4.124 1.00 0.00 N ATOM 490 CA LEU A 35 -5.854 2.309 4.941 1.00 0.00 C ATOM 491 C LEU A 35 -4.507 2.879 5.372 1.00 0.00 C ATOM 492 O LEU A 35 -3.790 3.478 4.571 1.00 0.00 O ATOM 493 CB LEU A 35 -5.645 1.004 4.172 1.00 0.00 C ATOM 494 CG LEU A 35 -5.259 -0.200 5.036 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.383 -1.225 5.062 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.971 -0.832 4.530 1.00 0.00 C ATOM 0 H LEU A 35 -6.007 3.791 3.466 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.446 2.105 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.562 0.766 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.867 1.160 3.425 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.092 0.151 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.088 -2.072 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.282 -0.768 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.585 -1.570 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.714 -1.686 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.109 -1.166 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.166 -0.098 4.568 1.00 0.00 H new ATOM 508 N ASP A 36 -4.170 2.687 6.642 1.00 0.00 N ATOM 509 CA ASP A 36 -2.909 3.179 7.181 1.00 0.00 C ATOM 510 C ASP A 36 -1.839 2.098 7.127 1.00 0.00 C ATOM 511 O ASP A 36 -2.018 1.006 7.656 1.00 0.00 O ATOM 512 CB ASP A 36 -3.098 3.656 8.622 1.00 0.00 C ATOM 513 CG ASP A 36 -1.839 4.274 9.197 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.855 3.534 9.404 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.838 5.499 9.441 1.00 0.00 O ATOM 0 H ASP A 36 -4.753 2.194 7.318 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.582 4.019 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.906 4.386 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.402 2.814 9.243 1.00 0.00 H new ATOM 520 N LEU A 37 -0.731 2.408 6.477 1.00 0.00 N ATOM 521 CA LEU A 37 0.376 1.468 6.358 1.00 0.00 C ATOM 522 C LEU A 37 1.323 1.604 7.535 1.00 0.00 C ATOM 523 O LEU A 37 1.977 0.643 7.938 1.00 0.00 O ATOM 524 CB LEU A 37 1.129 1.696 5.062 1.00 0.00 C ATOM 525 CG LEU A 37 0.257 2.141 3.898 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.974 3.204 3.099 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.117 0.948 3.039 1.00 0.00 C ATOM 0 H LEU A 37 -0.571 3.306 6.021 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.036 0.459 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.899 2.448 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.640 0.773 4.786 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.668 2.574 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.345 3.519 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.185 4.060 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.910 2.800 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.741 1.279 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.788 0.482 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.667 0.225 3.641 1.00 0.00 H new ATOM 539 N ASP A 38 1.388 2.813 8.087 1.00 0.00 N ATOM 540 CA ASP A 38 2.253 3.084 9.226 1.00 0.00 C ATOM 541 C ASP A 38 1.909 2.169 10.394 1.00 0.00 C ATOM 542 O ASP A 38 2.660 2.080 11.365 1.00 0.00 O ATOM 543 CB ASP A 38 2.128 4.547 9.652 1.00 0.00 C ATOM 544 CG ASP A 38 3.423 5.096 10.220 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.478 4.910 9.578 1.00 0.00 O ATOM 546 OD2 ASP A 38 3.381 5.712 11.306 1.00 0.00 O ATOM 0 H ASP A 38 0.852 3.618 7.763 1.00 0.00 H new ATOM 0 HA ASP A 38 3.283 2.890 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.827 5.148 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.339 4.639 10.398 1.00 0.00 H new ATOM 551 N TYR A 39 0.772 1.484 10.295 1.00 0.00 N ATOM 552 CA TYR A 39 0.348 0.574 11.354 1.00 0.00 C ATOM 553 C TYR A 39 0.022 -0.819 10.803 1.00 0.00 C ATOM 554 O TYR A 39 -0.332 -1.723 11.560 1.00 0.00 O ATOM 555 CB TYR A 39 -0.850 1.162 12.116 1.00 0.00 C ATOM 556 CG TYR A 39 -2.204 0.737 11.592 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.465 0.721 10.232 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.218 0.355 12.461 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.701 0.337 9.746 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.457 -0.032 11.985 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.693 -0.039 10.627 1.00 0.00 C ATOM 562 OH TYR A 39 -5.925 -0.422 10.148 1.00 0.00 O ATOM 0 H TYR A 39 0.134 1.541 9.501 1.00 0.00 H new ATOM 0 HA TYR A 39 1.178 0.459 12.051 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.774 0.872 13.164 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.787 2.250 12.081 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.690 1.013 9.539 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.036 0.360 13.525 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.889 0.332 8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.235 -0.327 12.673 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.902 -1.372 9.909 1.00 0.00 H new ATOM 572 N TYR A 40 0.152 -0.991 9.487 1.00 0.00 N ATOM 573 CA TYR A 40 -0.123 -2.278 8.856 1.00 0.00 C ATOM 574 C TYR A 40 1.132 -2.843 8.189 1.00 0.00 C ATOM 575 O TYR A 40 1.235 -4.049 7.966 1.00 0.00 O ATOM 576 CB TYR A 40 -1.246 -2.138 7.825 1.00 0.00 C ATOM 577 CG TYR A 40 -2.578 -2.678 8.300 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.965 -2.559 9.630 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.448 -3.305 7.418 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.181 -3.052 10.066 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.666 -3.799 7.846 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.027 -3.670 9.171 1.00 0.00 C ATOM 583 OH TYR A 40 -6.238 -4.161 9.601 1.00 0.00 O ATOM 0 H TYR A 40 0.445 -0.258 8.841 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.440 -2.972 9.634 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.362 -1.085 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.957 -2.660 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.305 -2.074 10.334 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.168 -3.408 6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.466 -2.953 11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.331 -4.283 7.147 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.714 -4.565 8.846 1.00 0.00 H new ATOM 593 N ILE A 41 2.084 -1.966 7.876 1.00 0.00 N ATOM 594 CA ILE A 41 3.328 -2.382 7.239 1.00 0.00 C ATOM 595 C ILE A 41 4.535 -1.927 8.054 1.00 0.00 C ATOM 596 O ILE A 41 4.550 -0.822 8.596 1.00 0.00 O ATOM 597 CB ILE A 41 3.438 -1.824 5.804 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.362 -2.444 4.913 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.823 -2.086 5.224 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.872 -1.515 3.826 1.00 0.00 C ATOM 0 H ILE A 41 2.016 -0.964 8.054 1.00 0.00 H new ATOM 0 HA ILE A 41 3.317 -3.471 7.191 1.00 0.00 H new ATOM 0 HB ILE A 41 3.285 -0.746 5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.758 -3.350 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.517 -2.744 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.876 -1.684 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.576 -1.602 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.009 -3.160 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.110 -2.020 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.446 -0.619 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.707 -1.235 3.183 1.00 0.00 H new ATOM 612 N GLY A 42 5.547 -2.785 8.134 1.00 0.00 N ATOM 613 CA GLY A 42 6.744 -2.453 8.883 1.00 0.00 C ATOM 614 C GLY A 42 8.011 -2.661 8.079 1.00 0.00 C ATOM 615 O GLY A 42 7.965 -3.130 6.942 1.00 0.00 O ATOM 0 H GLY A 42 5.559 -3.705 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.689 -1.413 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.786 -3.065 9.784 1.00 0.00 H new ATOM 619 N ASN A 43 9.146 -2.312 8.674 1.00 0.00 N ATOM 620 CA ASN A 43 10.436 -2.462 8.012 1.00 0.00 C ATOM 621 C ASN A 43 11.149 -3.723 8.492 1.00 0.00 C ATOM 622 O ASN A 43 11.569 -3.809 9.646 1.00 0.00 O ATOM 623 CB ASN A 43 11.311 -1.234 8.274 1.00 0.00 C ATOM 624 CG ASN A 43 12.660 -1.322 7.588 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.051 -2.379 7.092 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.380 -0.207 7.555 1.00 0.00 N ATOM 0 H ASN A 43 9.199 -1.923 9.615 1.00 0.00 H new ATOM 0 HA ASN A 43 10.260 -2.552 6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.790 -0.341 7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.460 -1.121 9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.296 -0.204 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.017 0.647 7.979 1.00 0.00 H new ATOM 633 N ASP A 44 11.282 -4.698 7.599 1.00 0.00 N ATOM 634 CA ASP A 44 11.945 -5.954 7.930 1.00 0.00 C ATOM 635 C ASP A 44 13.266 -6.085 7.179 1.00 0.00 C ATOM 636 O ASP A 44 13.292 -6.476 6.013 1.00 0.00 O ATOM 637 CB ASP A 44 11.036 -7.138 7.596 1.00 0.00 C ATOM 638 CG ASP A 44 11.450 -8.406 8.316 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.824 -8.318 9.505 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.399 -9.487 7.692 1.00 0.00 O ATOM 0 H ASP A 44 10.939 -4.642 6.640 1.00 0.00 H new ATOM 0 HA ASP A 44 12.154 -5.956 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.009 -6.891 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.052 -7.313 6.520 1.00 0.00 H new ATOM 645 N ASP A 45 14.362 -5.755 7.856 1.00 0.00 N ATOM 646 CA ASP A 45 15.686 -5.836 7.250 1.00 0.00 C ATOM 647 C ASP A 45 15.784 -4.918 6.036 1.00 0.00 C ATOM 648 O ASP A 45 16.291 -5.312 4.985 1.00 0.00 O ATOM 649 CB ASP A 45 15.993 -7.278 6.842 1.00 0.00 C ATOM 650 CG ASP A 45 17.406 -7.442 6.319 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.344 -7.480 7.143 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.576 -7.534 5.085 1.00 0.00 O ATOM 0 H ASP A 45 14.359 -5.430 8.823 1.00 0.00 H new ATOM 0 HA ASP A 45 16.419 -5.511 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.848 -7.934 7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.286 -7.594 6.075 1.00 0.00 H new ATOM 657 N GLY A 46 15.293 -3.693 6.187 1.00 0.00 N ATOM 658 CA GLY A 46 15.332 -2.739 5.095 1.00 0.00 C ATOM 659 C GLY A 46 14.367 -3.091 3.979 1.00 0.00 C ATOM 660 O GLY A 46 14.495 -2.594 2.860 1.00 0.00 O ATOM 0 H GLY A 46 14.869 -3.344 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.094 -1.746 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.344 -2.693 4.694 1.00 0.00 H new ATOM 664 N SER A 47 13.398 -3.951 4.283 1.00 0.00 N ATOM 665 CA SER A 47 12.409 -4.368 3.296 1.00 0.00 C ATOM 666 C SER A 47 10.995 -4.198 3.840 1.00 0.00 C ATOM 667 O SER A 47 10.791 -4.112 5.051 1.00 0.00 O ATOM 668 CB SER A 47 12.642 -5.826 2.894 1.00 0.00 C ATOM 669 OG SER A 47 13.811 -5.958 2.105 1.00 0.00 O ATOM 0 H SER A 47 13.278 -4.372 5.204 1.00 0.00 H new ATOM 0 HA SER A 47 12.520 -3.734 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.732 -6.443 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.781 -6.195 2.337 1.00 0.00 H new ATOM 0 HG SER A 47 13.938 -6.899 1.863 1.00 0.00 H new ATOM 675 N PHE A 48 10.021 -4.151 2.938 1.00 0.00 N ATOM 676 CA PHE A 48 8.625 -3.993 3.329 1.00 0.00 C ATOM 677 C PHE A 48 8.065 -5.298 3.885 1.00 0.00 C ATOM 678 O PHE A 48 8.381 -6.380 3.391 1.00 0.00 O ATOM 679 CB PHE A 48 7.790 -3.534 2.133 1.00 0.00 C ATOM 680 CG PHE A 48 7.967 -2.080 1.799 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.741 -1.104 2.756 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.358 -1.690 0.529 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.903 0.235 2.452 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.521 -0.353 0.218 1.00 0.00 C ATOM 685 CZ PHE A 48 8.293 0.610 1.181 1.00 0.00 C ATOM 0 H PHE A 48 10.172 -4.220 1.932 1.00 0.00 H new ATOM 0 HA PHE A 48 8.575 -3.236 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.057 -4.133 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.737 -3.725 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.435 -1.392 3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.538 -2.439 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.725 0.986 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.826 -0.062 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.419 1.655 0.941 1.00 0.00 H new ATOM 695 N SER A 49 7.233 -5.188 4.916 1.00 0.00 N ATOM 696 CA SER A 49 6.631 -6.361 5.539 1.00 0.00 C ATOM 697 C SER A 49 5.125 -6.183 5.701 1.00 0.00 C ATOM 698 O SER A 49 4.665 -5.216 6.308 1.00 0.00 O ATOM 699 CB SER A 49 7.274 -6.625 6.902 1.00 0.00 C ATOM 700 OG SER A 49 7.431 -8.014 7.132 1.00 0.00 O ATOM 0 H SER A 49 6.961 -4.300 5.337 1.00 0.00 H new ATOM 0 HA SER A 49 6.808 -7.217 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.246 -6.133 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.657 -6.191 7.689 1.00 0.00 H new ATOM 0 HG SER A 49 7.845 -8.156 8.009 1.00 0.00 H new ATOM 706 N TRP A 50 4.360 -7.125 5.157 1.00 0.00 N ATOM 707 CA TRP A 50 2.906 -7.075 5.243 1.00 0.00 C ATOM 708 C TRP A 50 2.434 -7.470 6.639 1.00 0.00 C ATOM 709 O TRP A 50 2.679 -8.587 7.095 1.00 0.00 O ATOM 710 CB TRP A 50 2.283 -8.003 4.200 1.00 0.00 C ATOM 711 CG TRP A 50 2.132 -7.368 2.851 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.702 -7.782 1.682 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.361 -6.203 2.531 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.333 -6.948 0.655 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.511 -5.971 1.151 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.559 -5.335 3.277 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.888 -4.909 0.502 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.059 -4.280 2.631 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.108 -4.075 1.256 1.00 0.00 C ATOM 0 H TRP A 50 4.724 -7.933 4.652 1.00 0.00 H new ATOM 0 HA TRP A 50 2.587 -6.052 5.045 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.900 -8.897 4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.304 -8.327 4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.349 -8.641 1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.624 -7.041 -0.318 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.424 -5.485 4.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.016 -4.749 -0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.681 -3.602 3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.389 -3.242 0.781 1.00 0.00 H new ATOM 730 N GLY A 51 1.756 -6.547 7.312 1.00 0.00 N ATOM 731 CA GLY A 51 1.263 -6.818 8.649 1.00 0.00 C ATOM 732 C GLY A 51 2.126 -6.192 9.730 1.00 0.00 C ATOM 733 O GLY A 51 1.972 -6.503 10.911 1.00 0.00 O ATOM 0 H GLY A 51 1.539 -5.616 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.244 -6.441 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.219 -7.896 8.804 1.00 0.00 H new ATOM 737 N GLY A 52 3.034 -5.307 9.328 1.00 0.00 N ATOM 738 CA GLY A 52 3.904 -4.653 10.287 1.00 0.00 C ATOM 739 C GLY A 52 3.410 -3.271 10.663 1.00 0.00 C ATOM 740 O GLY A 52 2.204 -3.026 10.699 1.00 0.00 O ATOM 0 H GLY A 52 3.182 -5.032 8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.978 -5.267 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.908 -4.576 9.870 1.00 0.00 H new ATOM 744 N GLU A 53 4.340 -2.365 10.944 1.00 0.00 N ATOM 745 CA GLU A 53 3.988 -1.001 11.318 1.00 0.00 C ATOM 746 C GLU A 53 5.236 -0.163 11.575 1.00 0.00 C ATOM 747 O GLU A 53 6.311 -0.698 11.848 1.00 0.00 O ATOM 748 CB GLU A 53 3.098 -1.005 12.561 1.00 0.00 C ATOM 749 CG GLU A 53 3.595 -1.927 13.662 1.00 0.00 C ATOM 750 CD GLU A 53 3.416 -1.333 15.045 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.343 -0.749 15.306 1.00 0.00 O ATOM 752 OE2 GLU A 53 4.349 -1.450 15.867 1.00 0.00 O ATOM 0 H GLU A 53 5.343 -2.551 10.920 1.00 0.00 H new ATOM 0 HA GLU A 53 3.441 -0.555 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.030 0.010 12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.090 -1.305 12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.060 -2.875 13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.650 -2.146 13.499 1.00 0.00 H new ATOM 759 N ASN A 54 5.083 1.154 11.488 1.00 0.00 N ATOM 760 CA ASN A 54 6.194 2.073 11.711 1.00 0.00 C ATOM 761 C ASN A 54 7.259 1.916 10.631 1.00 0.00 C ATOM 762 O ASN A 54 8.439 2.177 10.867 1.00 0.00 O ATOM 763 CB ASN A 54 6.817 1.844 13.093 1.00 0.00 C ATOM 764 CG ASN A 54 5.800 1.428 14.136 1.00 0.00 C ATOM 765 OD1 ASN A 54 4.622 2.035 14.086 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 6.069 0.570 14.976 1.00 0.00 N flip ATOM 0 H ASN A 54 4.199 1.610 11.264 1.00 0.00 H new ATOM 0 HA ASN A 54 5.799 3.088 11.665 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.587 1.076 13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.311 2.759 13.419 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.989 0.129 14.978 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.372 0.300 15.671 1.00 0.00 H new ATOM 773 N PHE A 55 6.838 1.489 9.443 1.00 0.00 N ATOM 774 CA PHE A 55 7.760 1.301 8.331 1.00 0.00 C ATOM 775 C PHE A 55 8.447 2.615 7.970 1.00 0.00 C ATOM 776 O PHE A 55 9.644 2.645 7.684 1.00 0.00 O ATOM 777 CB PHE A 55 7.019 0.732 7.115 1.00 0.00 C ATOM 778 CG PHE A 55 6.218 1.753 6.352 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.946 2.113 6.771 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.739 2.351 5.216 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.210 3.049 6.070 1.00 0.00 C ATOM 782 CE2 PHE A 55 6.008 3.288 4.511 1.00 0.00 C ATOM 783 CZ PHE A 55 4.742 3.638 4.939 1.00 0.00 C ATOM 0 H PHE A 55 5.866 1.268 9.228 1.00 0.00 H new ATOM 0 HA PHE A 55 8.526 0.589 8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.745 0.277 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.352 -0.063 7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.526 1.657 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.729 2.082 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.220 3.320 6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.426 3.746 3.627 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.169 4.371 4.390 1.00 0.00 H new ATOM 793 N SER A 56 7.679 3.699 7.991 1.00 0.00 N ATOM 794 CA SER A 56 8.212 5.018 7.672 1.00 0.00 C ATOM 795 C SER A 56 9.202 5.480 8.738 1.00 0.00 C ATOM 796 O SER A 56 9.997 6.390 8.505 1.00 0.00 O ATOM 797 CB SER A 56 7.074 6.032 7.541 1.00 0.00 C ATOM 798 OG SER A 56 7.561 7.296 7.127 1.00 0.00 O ATOM 0 H SER A 56 6.686 3.690 8.225 1.00 0.00 H new ATOM 0 HA SER A 56 8.739 4.948 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.340 5.668 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.561 6.132 8.497 1.00 0.00 H new ATOM 0 HG SER A 56 8.513 7.369 7.350 1.00 0.00 H new ATOM 804 N GLY A 57 9.151 4.847 9.910 1.00 0.00 N ATOM 805 CA GLY A 57 10.051 5.209 10.992 1.00 0.00 C ATOM 806 C GLY A 57 11.494 5.312 10.537 1.00 0.00 C ATOM 807 O GLY A 57 12.217 6.221 10.945 1.00 0.00 O ATOM 0 H GLY A 57 8.502 4.091 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.738 6.163 11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.976 4.467 11.787 1.00 0.00 H new ATOM 811 N SER A 58 11.911 4.381 9.684 1.00 0.00 N ATOM 812 CA SER A 58 13.275 4.378 9.168 1.00 0.00 C ATOM 813 C SER A 58 13.278 4.394 7.645 1.00 0.00 C ATOM 814 O SER A 58 14.141 3.787 7.010 1.00 0.00 O ATOM 815 CB SER A 58 14.041 3.153 9.671 1.00 0.00 C ATOM 816 OG SER A 58 15.290 3.527 10.227 1.00 0.00 O ATOM 0 H SER A 58 11.326 3.621 9.337 1.00 0.00 H new ATOM 0 HA SER A 58 13.770 5.279 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.447 2.631 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.199 2.456 8.848 1.00 0.00 H new ATOM 0 HG SER A 58 15.688 2.757 10.684 1.00 0.00 H new ATOM 822 N ALA A 59 12.309 5.089 7.062 1.00 0.00 N ATOM 823 CA ALA A 59 12.206 5.178 5.613 1.00 0.00 C ATOM 824 C ALA A 59 12.293 6.627 5.150 1.00 0.00 C ATOM 825 O ALA A 59 12.084 7.553 5.933 1.00 0.00 O ATOM 826 CB ALA A 59 10.908 4.543 5.137 1.00 0.00 C ATOM 0 H ALA A 59 11.585 5.598 7.570 1.00 0.00 H new ATOM 0 HA ALA A 59 13.043 4.633 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.844 4.616 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.887 3.494 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.062 5.063 5.587 1.00 0.00 H new ATOM 832 N SER A 60 12.605 6.818 3.873 1.00 0.00 N ATOM 833 CA SER A 60 12.721 8.158 3.309 1.00 0.00 C ATOM 834 C SER A 60 12.017 8.245 1.960 1.00 0.00 C ATOM 835 O SER A 60 11.925 7.256 1.233 1.00 0.00 O ATOM 836 CB SER A 60 14.194 8.543 3.156 1.00 0.00 C ATOM 837 OG SER A 60 14.873 8.471 4.398 1.00 0.00 O ATOM 0 H SER A 60 12.782 6.064 3.210 1.00 0.00 H new ATOM 0 HA SER A 60 12.239 8.856 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.674 7.879 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.269 9.554 2.755 1.00 0.00 H new ATOM 0 HG SER A 60 15.812 8.720 4.272 1.00 0.00 H new ATOM 843 N ASN A 61 11.526 9.440 1.633 1.00 0.00 N ATOM 844 CA ASN A 61 10.826 9.683 0.369 1.00 0.00 C ATOM 845 C ASN A 61 9.916 8.514 -0.006 1.00 0.00 C ATOM 846 O ASN A 61 10.099 7.877 -1.044 1.00 0.00 O ATOM 847 CB ASN A 61 11.828 9.949 -0.759 1.00 0.00 C ATOM 848 CG ASN A 61 13.033 9.031 -0.702 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.121 9.439 -0.295 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.845 7.783 -1.112 1.00 0.00 N ATOM 0 H ASN A 61 11.601 10.263 2.231 1.00 0.00 H new ATOM 0 HA ASN A 61 10.201 10.565 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.328 9.826 -1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.163 10.985 -0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.619 7.119 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.926 7.487 -1.442 1.00 0.00 H new ATOM 857 N ILE A 62 8.931 8.242 0.844 1.00 0.00 N ATOM 858 CA ILE A 62 7.990 7.155 0.599 1.00 0.00 C ATOM 859 C ILE A 62 6.861 7.615 -0.316 1.00 0.00 C ATOM 860 O ILE A 62 6.066 8.480 0.052 1.00 0.00 O ATOM 861 CB ILE A 62 7.384 6.619 1.911 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.458 6.506 2.995 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.721 5.271 1.675 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.912 6.082 4.340 1.00 0.00 C ATOM 0 H ILE A 62 8.764 8.759 1.707 1.00 0.00 H new ATOM 0 HA ILE A 62 8.550 6.353 0.119 1.00 0.00 H new ATOM 0 HB ILE A 62 6.626 7.323 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.213 5.788 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.959 7.468 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.298 4.905 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.928 5.380 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.462 4.560 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.727 6.022 5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.178 6.812 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.436 5.106 4.248 1.00 0.00 H new ATOM 876 N THR A 63 6.797 7.039 -1.512 1.00 0.00 N ATOM 877 CA THR A 63 5.764 7.402 -2.476 1.00 0.00 C ATOM 878 C THR A 63 5.246 6.175 -3.221 1.00 0.00 C ATOM 879 O THR A 63 5.936 5.162 -3.327 1.00 0.00 O ATOM 880 CB THR A 63 6.307 8.426 -3.474 1.00 0.00 C ATOM 881 OG1 THR A 63 7.703 8.265 -3.649 1.00 0.00 O ATOM 882 CG2 THR A 63 6.059 9.859 -3.056 1.00 0.00 C ATOM 0 H THR A 63 7.445 6.322 -1.836 1.00 0.00 H new ATOM 0 HA THR A 63 4.933 7.842 -1.925 1.00 0.00 H new ATOM 0 HB THR A 63 5.768 8.237 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.031 8.928 -4.292 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.469 10.533 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.987 10.030 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.542 10.047 -2.097 1.00 0.00 H new ATOM 890 N LEU A 64 4.025 6.279 -3.737 1.00 0.00 N ATOM 891 CA LEU A 64 3.408 5.183 -4.475 1.00 0.00 C ATOM 892 C LEU A 64 3.411 5.470 -5.973 1.00 0.00 C ATOM 893 O LEU A 64 2.945 6.520 -6.415 1.00 0.00 O ATOM 894 CB LEU A 64 1.975 4.959 -3.989 1.00 0.00 C ATOM 895 CG LEU A 64 1.227 3.817 -4.678 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.776 2.470 -4.230 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.265 3.911 -4.394 1.00 0.00 C ATOM 0 H LEU A 64 3.443 7.113 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 64 3.991 4.280 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.998 4.763 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.411 5.881 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 64 1.378 3.905 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.231 1.670 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.833 2.405 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.657 2.369 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.782 3.091 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.435 3.849 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.647 4.861 -4.767 1.00 0.00 H new ATOM 909 N ASP A 65 3.943 4.531 -6.750 1.00 0.00 N ATOM 910 CA ASP A 65 4.010 4.685 -8.199 1.00 0.00 C ATOM 911 C ASP A 65 3.395 3.481 -8.906 1.00 0.00 C ATOM 912 O ASP A 65 3.361 2.378 -8.361 1.00 0.00 O ATOM 913 CB ASP A 65 5.461 4.866 -8.646 1.00 0.00 C ATOM 914 CG ASP A 65 5.870 6.325 -8.705 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.292 7.135 -7.950 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.767 6.659 -9.508 1.00 0.00 O ATOM 0 H ASP A 65 4.334 3.656 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 65 3.438 5.573 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.119 4.335 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.595 4.414 -9.629 1.00 0.00 H new ATOM 921 N ILE A 66 2.910 3.702 -10.124 1.00 0.00 N ATOM 922 CA ILE A 66 2.297 2.641 -10.908 1.00 0.00 C ATOM 923 C ILE A 66 3.359 1.847 -11.667 1.00 0.00 C ATOM 924 O ILE A 66 4.343 2.408 -12.149 1.00 0.00 O ATOM 925 CB ILE A 66 1.260 3.218 -11.901 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.060 3.499 -11.180 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.038 2.276 -13.077 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.823 2.249 -10.796 1.00 0.00 C ATOM 0 H ILE A 66 2.931 4.610 -10.588 1.00 0.00 H new ATOM 0 HA ILE A 66 1.784 1.971 -10.218 1.00 0.00 H new ATOM 0 HB ILE A 66 1.652 4.155 -12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.144 4.080 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.690 4.116 -11.821 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.304 2.709 -13.757 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.979 2.127 -13.606 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.671 1.317 -12.711 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.747 2.528 -10.289 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.060 1.677 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.213 1.641 -10.128 1.00 0.00 H new ATOM 940 N GLU A 67 3.149 0.539 -11.768 1.00 0.00 N ATOM 941 CA GLU A 67 4.085 -0.334 -12.466 1.00 0.00 C ATOM 942 C GLU A 67 3.352 -1.494 -13.133 1.00 0.00 C ATOM 943 O GLU A 67 2.500 -2.137 -12.520 1.00 0.00 O ATOM 944 CB GLU A 67 5.135 -0.872 -11.493 1.00 0.00 C ATOM 945 CG GLU A 67 6.473 -1.175 -12.149 1.00 0.00 C ATOM 946 CD GLU A 67 7.163 0.071 -12.668 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.810 0.527 -13.775 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.057 0.590 -11.966 1.00 0.00 O ATOM 0 H GLU A 67 2.339 0.060 -11.375 1.00 0.00 H new ATOM 0 HA GLU A 67 4.582 0.252 -13.239 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.287 -0.144 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.754 -1.781 -11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.122 -1.672 -11.428 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.320 -1.871 -12.974 1.00 0.00 H new ATOM 955 N GLY A 68 3.689 -1.754 -14.392 1.00 0.00 N ATOM 956 CA GLY A 68 3.053 -2.835 -15.121 1.00 0.00 C ATOM 957 C GLY A 68 1.937 -2.347 -16.024 1.00 0.00 C ATOM 958 O GLY A 68 1.372 -1.276 -15.801 1.00 0.00 O ATOM 0 H GLY A 68 4.391 -1.235 -14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.801 -3.354 -15.721 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.652 -3.560 -14.413 1.00 0.00 H new ATOM 962 N ASP A 69 1.619 -3.135 -17.046 1.00 0.00 N ATOM 963 CA ASP A 69 0.564 -2.778 -17.988 1.00 0.00 C ATOM 964 C ASP A 69 -0.810 -2.808 -17.320 1.00 0.00 C ATOM 965 O ASP A 69 -1.784 -2.292 -17.867 1.00 0.00 O ATOM 966 CB ASP A 69 0.580 -3.729 -19.185 1.00 0.00 C ATOM 967 CG ASP A 69 -0.163 -3.166 -20.381 1.00 0.00 C ATOM 968 OD1 ASP A 69 -1.398 -3.339 -20.447 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.490 -2.552 -21.251 1.00 0.00 O ATOM 0 H ASP A 69 2.077 -4.025 -17.243 1.00 0.00 H new ATOM 0 HA ASP A 69 0.754 -1.761 -18.332 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.612 -3.937 -19.467 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.131 -4.679 -18.896 1.00 0.00 H new ATOM 974 N ASP A 70 -0.884 -3.413 -16.137 1.00 0.00 N ATOM 975 CA ASP A 70 -2.143 -3.504 -15.405 1.00 0.00 C ATOM 976 C ASP A 70 -2.309 -2.333 -14.437 1.00 0.00 C ATOM 977 O ASP A 70 -3.391 -2.122 -13.890 1.00 0.00 O ATOM 978 CB ASP A 70 -2.216 -4.829 -14.641 1.00 0.00 C ATOM 979 CG ASP A 70 -3.274 -5.761 -15.199 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.176 -6.126 -16.389 1.00 0.00 O ATOM 981 OD2 ASP A 70 -4.200 -6.125 -14.445 1.00 0.00 O ATOM 0 H ASP A 70 -0.089 -3.846 -15.667 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.956 -3.462 -16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.245 -5.322 -14.680 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.430 -4.629 -13.591 1.00 0.00 H new ATOM 986 N ASN A 71 -1.233 -1.576 -14.225 1.00 0.00 N ATOM 987 CA ASN A 71 -1.265 -0.433 -13.319 1.00 0.00 C ATOM 988 C ASN A 71 -1.386 -0.898 -11.876 1.00 0.00 C ATOM 989 O ASN A 71 -2.459 -0.831 -11.276 1.00 0.00 O ATOM 990 CB ASN A 71 -2.425 0.504 -13.667 1.00 0.00 C ATOM 991 CG ASN A 71 -2.469 0.846 -15.143 1.00 0.00 C ATOM 992 OD1 ASN A 71 -1.786 1.762 -15.601 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.275 0.108 -15.898 1.00 0.00 N ATOM 0 H ASN A 71 -0.329 -1.735 -14.669 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.330 0.115 -13.434 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.366 0.036 -13.377 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.333 1.422 -13.087 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.345 0.291 -16.899 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.823 -0.642 -15.477 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.278 -1.376 -11.328 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.254 -1.862 -9.956 1.00 0.00 C ATOM 1002 C ILE A 72 0.452 -0.869 -9.033 1.00 0.00 C ATOM 1003 O ILE A 72 1.603 -0.503 -9.269 1.00 0.00 O ATOM 1004 CB ILE A 72 0.446 -3.233 -9.854 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.305 -4.016 -11.162 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.133 -4.029 -8.697 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.128 -4.351 -11.511 1.00 0.00 C ATOM 0 H ILE A 72 0.617 -1.438 -11.813 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.292 -1.971 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 72 1.507 -3.065 -9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.742 -3.434 -11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.878 -4.940 -11.087 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.368 -4.995 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.017 -3.481 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.200 -4.183 -8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.154 -4.906 -12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.563 -4.959 -10.718 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.701 -3.430 -11.618 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.232 -0.416 -7.965 1.00 0.00 N ATOM 1020 CA PRO A 73 0.339 0.542 -7.010 1.00 0.00 C ATOM 1021 C PRO A 73 1.560 -0.015 -6.284 1.00 0.00 C ATOM 1022 O PRO A 73 1.433 -0.819 -5.361 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.803 0.793 -6.017 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.712 -0.378 -6.167 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.609 -0.795 -7.606 1.00 0.00 C ATOM 0 HA PRO A 73 0.691 1.445 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.428 0.873 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.321 1.726 -6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.416 -1.190 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.737 -0.113 -5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.778 -1.865 -7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.343 -0.283 -8.228 1.00 0.00 H new ATOM 1033 N VAL A 74 2.742 0.420 -6.708 1.00 0.00 N ATOM 1034 CA VAL A 74 3.988 -0.032 -6.098 1.00 0.00 C ATOM 1035 C VAL A 74 4.600 1.053 -5.217 1.00 0.00 C ATOM 1036 O VAL A 74 4.936 2.137 -5.694 1.00 0.00 O ATOM 1037 CB VAL A 74 5.018 -0.451 -7.163 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.226 -1.106 -6.511 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.382 -1.383 -8.183 1.00 0.00 C ATOM 0 H VAL A 74 2.864 1.085 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 74 3.738 -0.897 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 74 5.358 0.444 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.942 -1.395 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.695 -0.402 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.907 -1.991 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.125 -1.669 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.012 -2.276 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.553 -0.873 -8.674 1.00 0.00 H new ATOM 1049 N LEU A 75 4.744 0.752 -3.930 1.00 0.00 N ATOM 1050 CA LEU A 75 5.320 1.699 -2.980 1.00 0.00 C ATOM 1051 C LEU A 75 6.827 1.494 -2.862 1.00 0.00 C ATOM 1052 O LEU A 75 7.288 0.410 -2.509 1.00 0.00 O ATOM 1053 CB LEU A 75 4.660 1.540 -1.608 1.00 0.00 C ATOM 1054 CG LEU A 75 5.147 2.513 -0.532 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.068 3.949 -1.032 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.335 2.344 0.743 1.00 0.00 C ATOM 0 H LEU A 75 4.470 -0.141 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 75 5.135 2.708 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.583 1.662 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.829 0.522 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 75 6.190 2.287 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.419 4.625 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.693 4.061 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.035 4.190 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.694 3.043 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.284 2.543 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.444 1.324 1.112 1.00 0.00 H new ATOM 1068 N ARG A 76 7.589 2.541 -3.166 1.00 0.00 N ATOM 1069 CA ARG A 76 9.045 2.470 -3.100 1.00 0.00 C ATOM 1070 C ARG A 76 9.607 3.500 -2.125 1.00 0.00 C ATOM 1071 O ARG A 76 9.224 4.670 -2.152 1.00 0.00 O ATOM 1072 CB ARG A 76 9.648 2.687 -4.488 1.00 0.00 C ATOM 1073 CG ARG A 76 9.703 1.425 -5.332 1.00 0.00 C ATOM 1074 CD ARG A 76 9.757 1.750 -6.816 1.00 0.00 C ATOM 1075 NE ARG A 76 8.422 1.868 -7.399 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.176 1.799 -8.705 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.169 1.613 -9.566 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.933 1.917 -9.152 1.00 0.00 N ATOM 0 H ARG A 76 7.223 3.447 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 76 9.314 1.477 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.063 3.441 -5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.657 3.085 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.579 0.838 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.828 0.809 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.301 2.683 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.313 0.971 -7.338 1.00 0.00 H new ATOM 0 HE ARG A 76 7.633 2.012 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.127 1.522 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.974 1.561 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.166 2.061 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.744 1.864 -10.153 1.00 0.00 H new ATOM 1092 N ALA A 77 10.521 3.056 -1.268 1.00 0.00 N ATOM 1093 CA ALA A 77 11.144 3.935 -0.285 1.00 0.00 C ATOM 1094 C ALA A 77 12.377 3.280 0.331 1.00 0.00 C ATOM 1095 O ALA A 77 12.384 2.078 0.597 1.00 0.00 O ATOM 1096 CB ALA A 77 10.143 4.308 0.798 1.00 0.00 C ATOM 0 H ALA A 77 10.847 2.090 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 77 11.464 4.844 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.621 4.964 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.294 4.823 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.795 3.404 1.299 1.00 0.00 H new ATOM 1102 N GLU A 78 13.417 4.077 0.560 1.00 0.00 N ATOM 1103 CA GLU A 78 14.653 3.570 1.150 1.00 0.00 C ATOM 1104 C GLU A 78 14.443 3.211 2.617 1.00 0.00 C ATOM 1105 O GLU A 78 14.191 4.082 3.447 1.00 0.00 O ATOM 1106 CB GLU A 78 15.768 4.610 1.021 1.00 0.00 C ATOM 1107 CG GLU A 78 16.296 4.762 -0.396 1.00 0.00 C ATOM 1108 CD GLU A 78 17.133 6.014 -0.574 1.00 0.00 C ATOM 1109 OE1 GLU A 78 18.269 6.047 -0.056 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.651 6.962 -1.230 1.00 0.00 O ATOM 0 H GLU A 78 13.429 5.074 0.347 1.00 0.00 H new ATOM 0 HA GLU A 78 14.944 2.669 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.396 5.574 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.591 4.332 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.896 3.889 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.457 4.788 -1.092 1.00 0.00 H new ATOM 1117 N LEU A 79 14.540 1.922 2.928 1.00 0.00 N ATOM 1118 CA LEU A 79 14.352 1.447 4.295 1.00 0.00 C ATOM 1119 C LEU A 79 15.687 1.198 4.989 1.00 0.00 C ATOM 1120 O LEU A 79 16.676 0.840 4.349 1.00 0.00 O ATOM 1121 CB LEU A 79 13.528 0.159 4.296 1.00 0.00 C ATOM 1122 CG LEU A 79 12.023 0.347 4.106 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.374 -0.961 3.681 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.386 0.871 5.384 1.00 0.00 C ATOM 0 H LEU A 79 14.748 1.187 2.252 1.00 0.00 H new ATOM 0 HA LEU A 79 13.820 2.224 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.899 -0.491 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.697 -0.360 5.240 1.00 0.00 H new ATOM 0 HG LEU A 79 11.863 1.082 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.303 -0.810 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.811 -1.295 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.543 -1.717 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.314 0.999 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.554 0.160 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.832 1.830 5.646 1.00 0.00 H new ATOM 1136 N ASN A 80 15.702 1.380 6.307 1.00 0.00 N ATOM 1137 CA ASN A 80 16.907 1.167 7.099 1.00 0.00 C ATOM 1138 C ASN A 80 16.920 -0.243 7.690 1.00 0.00 C ATOM 1139 O ASN A 80 16.168 -0.537 8.618 1.00 0.00 O ATOM 1140 CB ASN A 80 16.978 2.197 8.224 1.00 0.00 C ATOM 1141 CG ASN A 80 17.657 3.482 7.801 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.827 3.487 7.421 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.917 4.583 7.867 1.00 0.00 N ATOM 0 H ASN A 80 14.890 1.675 6.849 1.00 0.00 H new ATOM 0 HA ASN A 80 17.774 1.281 6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.969 2.421 8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.516 1.768 9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.315 5.482 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.951 4.529 8.189 1.00 0.00 H new ATOM 1150 N PRO A 81 17.774 -1.137 7.162 1.00 0.00 N ATOM 1151 CA PRO A 81 17.868 -2.514 7.651 1.00 0.00 C ATOM 1152 C PRO A 81 18.593 -2.605 8.988 1.00 0.00 C ATOM 1153 O PRO A 81 19.266 -1.663 9.408 1.00 0.00 O ATOM 1154 CB PRO A 81 18.669 -3.219 6.558 1.00 0.00 C ATOM 1155 CG PRO A 81 19.522 -2.148 5.973 1.00 0.00 C ATOM 1156 CD PRO A 81 18.712 -0.881 6.053 1.00 0.00 C ATOM 0 HA PRO A 81 16.887 -2.953 7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.273 -4.028 6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.014 -3.659 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.457 -2.049 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.784 -2.379 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.342 -0.014 6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.185 -0.683 5.120 1.00 0.00 H new ATOM 1164 N MET A 82 18.450 -3.745 9.652 1.00 0.00 N ATOM 1165 CA MET A 82 19.090 -3.965 10.943 1.00 0.00 C ATOM 1166 C MET A 82 20.573 -4.291 10.775 1.00 0.00 C ATOM 1167 O MET A 82 21.356 -4.155 11.715 1.00 0.00 O ATOM 1168 CB MET A 82 18.390 -5.099 11.693 1.00 0.00 C ATOM 1169 CG MET A 82 18.226 -6.365 10.867 1.00 0.00 C ATOM 1170 SD MET A 82 17.949 -7.827 11.885 1.00 0.00 S ATOM 1171 CE MET A 82 16.201 -8.103 11.610 1.00 0.00 C ATOM 0 H MET A 82 17.895 -4.533 9.317 1.00 0.00 H new ATOM 0 HA MET A 82 19.005 -3.045 11.521 1.00 0.00 H new ATOM 0 HB2 MET A 82 18.959 -5.333 12.593 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.407 -4.757 12.017 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.388 -6.241 10.181 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.117 -6.515 10.258 1.00 0.00 H new ATOM 0 HE1 MET A 82 15.877 -8.977 12.175 1.00 0.00 H new ATOM 0 HE2 MET A 82 15.638 -7.229 11.939 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.022 -8.271 10.548 1.00 0.00 H new ATOM 1181 N ASP A 83 20.953 -4.720 9.575 1.00 0.00 N ATOM 1182 CA ASP A 83 22.342 -5.063 9.292 1.00 0.00 C ATOM 1183 C ASP A 83 23.185 -3.806 9.104 1.00 0.00 C ATOM 1184 O ASP A 83 24.336 -3.747 9.537 1.00 0.00 O ATOM 1185 CB ASP A 83 22.428 -5.943 8.043 1.00 0.00 C ATOM 1186 CG ASP A 83 23.345 -7.135 8.238 1.00 0.00 C ATOM 1187 OD1 ASP A 83 23.386 -7.675 9.363 1.00 0.00 O ATOM 1188 OD2 ASP A 83 24.022 -7.528 7.265 1.00 0.00 O ATOM 0 H ASP A 83 20.319 -4.838 8.784 1.00 0.00 H new ATOM 0 HA ASP A 83 22.735 -5.617 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.430 -6.295 7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.786 -5.345 7.205 1.00 0.00 H new ATOM 1193 N GLY A 84 22.603 -2.801 8.457 1.00 0.00 N ATOM 1194 CA GLY A 84 23.315 -1.558 8.224 1.00 0.00 C ATOM 1195 C GLY A 84 23.134 -1.042 6.810 1.00 0.00 C ATOM 1196 O GLY A 84 22.881 -1.815 5.886 1.00 0.00 O ATOM 0 H GLY A 84 21.652 -2.825 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.965 -0.805 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.377 -1.709 8.419 1.00 0.00 H new ATOM 1200 N ASP A 85 23.264 0.271 6.641 1.00 0.00 N ATOM 1201 CA ASP A 85 23.114 0.893 5.330 1.00 0.00 C ATOM 1202 C ASP A 85 21.696 0.696 4.792 1.00 0.00 C ATOM 1203 O ASP A 85 21.242 -0.436 4.627 1.00 0.00 O ATOM 1204 CB ASP A 85 24.130 0.310 4.346 1.00 0.00 C ATOM 1205 CG ASP A 85 24.503 1.291 3.252 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.700 2.484 3.565 1.00 0.00 O ATOM 1207 OD2 ASP A 85 24.598 0.867 2.081 1.00 0.00 O ATOM 0 H ASP A 85 23.473 0.924 7.396 1.00 0.00 H new ATOM 0 HA ASP A 85 23.297 1.962 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.029 0.015 4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.719 -0.593 3.896 1.00 0.00 H new ATOM 1212 N PRO A 86 20.975 1.797 4.506 1.00 0.00 N ATOM 1213 CA PRO A 86 19.607 1.727 3.983 1.00 0.00 C ATOM 1214 C PRO A 86 19.559 1.161 2.568 1.00 0.00 C ATOM 1215 O PRO A 86 20.487 1.353 1.781 1.00 0.00 O ATOM 1216 CB PRO A 86 19.143 3.185 3.992 1.00 0.00 C ATOM 1217 CG PRO A 86 20.398 3.984 3.922 1.00 0.00 C ATOM 1218 CD PRO A 86 21.433 3.190 4.668 1.00 0.00 C ATOM 0 HA PRO A 86 18.978 1.065 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.491 3.398 3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.578 3.415 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.701 4.146 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 86 20.261 4.967 4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.430 3.337 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.481 3.478 5.718 1.00 0.00 H new ATOM 1226 N VAL A 87 18.474 0.462 2.249 1.00 0.00 N ATOM 1227 CA VAL A 87 18.310 -0.130 0.928 1.00 0.00 C ATOM 1228 C VAL A 87 16.955 0.228 0.330 1.00 0.00 C ATOM 1229 O VAL A 87 15.954 0.316 1.042 1.00 0.00 O ATOM 1230 CB VAL A 87 18.447 -1.663 0.978 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.863 -2.061 1.363 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.435 -2.258 1.945 1.00 0.00 C ATOM 0 H VAL A 87 17.697 0.292 2.887 1.00 0.00 H new ATOM 0 HA VAL A 87 19.101 0.278 0.299 1.00 0.00 H new ATOM 0 HB VAL A 87 18.242 -2.060 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.940 -3.148 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.564 -1.668 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.101 -1.653 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.547 -3.342 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.605 -1.855 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.427 -2.004 1.618 1.00 0.00 H new ATOM 1242 N GLU A 88 16.929 0.434 -0.982 1.00 0.00 N ATOM 1243 CA GLU A 88 15.695 0.782 -1.676 1.00 0.00 C ATOM 1244 C GLU A 88 14.697 -0.369 -1.614 1.00 0.00 C ATOM 1245 O GLU A 88 14.923 -1.433 -2.190 1.00 0.00 O ATOM 1246 CB GLU A 88 15.988 1.145 -3.134 1.00 0.00 C ATOM 1247 CG GLU A 88 15.397 2.479 -3.558 1.00 0.00 C ATOM 1248 CD GLU A 88 16.239 3.184 -4.604 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.149 3.947 -4.218 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.988 2.972 -5.809 1.00 0.00 O ATOM 0 H GLU A 88 17.748 0.366 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 88 15.257 1.647 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.067 1.171 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.595 0.361 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.394 2.319 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.297 3.122 -2.684 1.00 0.00 H new ATOM 1257 N ALA A 89 13.592 -0.147 -0.911 1.00 0.00 N ATOM 1258 CA ALA A 89 12.558 -1.164 -0.774 1.00 0.00 C ATOM 1259 C ALA A 89 11.347 -0.829 -1.636 1.00 0.00 C ATOM 1260 O ALA A 89 10.958 0.333 -1.751 1.00 0.00 O ATOM 1261 CB ALA A 89 12.148 -1.304 0.684 1.00 0.00 C ATOM 0 H ALA A 89 13.390 0.728 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 89 12.966 -2.114 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.375 -2.067 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.014 -1.594 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.761 -0.352 1.046 1.00 0.00 H new ATOM 1267 N ASN A 90 10.757 -1.852 -2.242 1.00 0.00 N ATOM 1268 CA ASN A 90 9.591 -1.662 -3.096 1.00 0.00 C ATOM 1269 C ASN A 90 8.544 -2.741 -2.839 1.00 0.00 C ATOM 1270 O ASN A 90 8.821 -3.933 -2.971 1.00 0.00 O ATOM 1271 CB ASN A 90 10.004 -1.661 -4.573 1.00 0.00 C ATOM 1272 CG ASN A 90 10.303 -3.052 -5.106 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.620 -3.544 -6.004 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.326 -3.692 -4.553 1.00 0.00 N ATOM 0 H ASN A 90 11.066 -2.820 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 90 9.149 -0.695 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.207 -1.214 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.886 -1.033 -4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.573 -4.630 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.865 -3.246 -3.811 1.00 0.00 H new ATOM 1281 N VAL A 91 7.339 -2.316 -2.475 1.00 0.00 N ATOM 1282 CA VAL A 91 6.253 -3.248 -2.205 1.00 0.00 C ATOM 1283 C VAL A 91 4.976 -2.823 -2.919 1.00 0.00 C ATOM 1284 O VAL A 91 4.599 -1.651 -2.894 1.00 0.00 O ATOM 1285 CB VAL A 91 5.968 -3.369 -0.694 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.415 -2.063 -0.139 1.00 0.00 C ATOM 1287 CG2 VAL A 91 5.009 -4.518 -0.423 1.00 0.00 C ATOM 0 H VAL A 91 7.091 -1.333 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 91 6.573 -4.219 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 91 6.909 -3.579 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.222 -2.174 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.141 -1.265 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.486 -1.814 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.819 -4.589 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.070 -4.339 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.450 -5.451 -0.776 1.00 0.00 H new ATOM 1297 N ASN A 92 4.312 -3.782 -3.549 1.00 0.00 N ATOM 1298 CA ASN A 92 3.076 -3.509 -4.264 1.00 0.00 C ATOM 1299 C ASN A 92 1.875 -3.701 -3.342 1.00 0.00 C ATOM 1300 O ASN A 92 1.599 -4.811 -2.891 1.00 0.00 O ATOM 1301 CB ASN A 92 2.974 -4.422 -5.491 1.00 0.00 C ATOM 1302 CG ASN A 92 1.558 -4.550 -6.013 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.859 -3.553 -6.189 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.131 -5.782 -6.259 1.00 0.00 N ATOM 0 H ASN A 92 4.610 -4.757 -3.579 1.00 0.00 H new ATOM 0 HA ASN A 92 3.080 -2.472 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.614 -4.032 -6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.352 -5.411 -5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.185 -5.933 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.748 -6.578 -6.097 1.00 0.00 H new ATOM 1311 N LEU A 93 1.166 -2.611 -3.063 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.003 -2.659 -2.189 1.00 0.00 C ATOM 1313 C LEU A 93 -0.983 -3.740 -2.640 1.00 0.00 C ATOM 1314 O LEU A 93 -1.586 -4.428 -1.817 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.703 -1.299 -2.162 1.00 0.00 C ATOM 1316 CG LEU A 93 0.184 -0.122 -1.753 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.523 1.197 -2.022 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.572 -0.233 -0.286 1.00 0.00 C ATOM 0 H LEU A 93 1.380 -1.683 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 93 0.340 -2.905 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.113 -1.099 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.546 -1.355 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 93 1.094 -0.151 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.123 2.023 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.750 1.278 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.449 1.237 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.203 0.612 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.328 -0.229 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.119 -1.162 -0.124 1.00 0.00 H new ATOM 1330 N SER A 94 -1.132 -3.889 -3.952 1.00 0.00 N ATOM 1331 CA SER A 94 -2.034 -4.891 -4.513 1.00 0.00 C ATOM 1332 C SER A 94 -1.629 -6.303 -4.093 1.00 0.00 C ATOM 1333 O SER A 94 -2.391 -7.251 -4.266 1.00 0.00 O ATOM 1334 CB SER A 94 -2.059 -4.796 -6.040 1.00 0.00 C ATOM 1335 OG SER A 94 -3.060 -3.897 -6.479 1.00 0.00 O ATOM 0 H SER A 94 -0.640 -3.329 -4.648 1.00 0.00 H new ATOM 0 HA SER A 94 -3.031 -4.688 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.085 -4.466 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.240 -5.783 -6.466 1.00 0.00 H new ATOM 0 HG SER A 94 -3.755 -4.391 -6.962 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.424 -6.443 -3.553 1.00 0.00 N ATOM 1342 CA GLU A 95 0.069 -7.747 -3.125 1.00 0.00 C ATOM 1343 C GLU A 95 -0.846 -8.367 -2.076 1.00 0.00 C ATOM 1344 O GLU A 95 -1.197 -9.543 -2.163 1.00 0.00 O ATOM 1345 CB GLU A 95 1.485 -7.626 -2.562 1.00 0.00 C ATOM 1346 CG GLU A 95 2.559 -7.509 -3.630 1.00 0.00 C ATOM 1347 CD GLU A 95 3.722 -8.454 -3.396 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.512 -9.683 -3.473 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.841 -7.965 -3.136 1.00 0.00 O ATOM 0 H GLU A 95 0.228 -5.673 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 95 0.083 -8.397 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.535 -6.752 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.695 -8.497 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.119 -7.715 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.929 -6.484 -3.657 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.217 -7.575 -1.074 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.078 -8.061 -0.003 1.00 0.00 C ATOM 1358 C ARG A 96 -3.087 -7.001 0.429 1.00 0.00 C ATOM 1359 O ARG A 96 -3.358 -6.841 1.619 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.229 -8.484 1.197 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.288 -9.640 0.902 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.828 -10.948 1.453 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.448 -11.148 2.849 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.886 -12.156 3.600 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.719 -13.057 3.094 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.490 -12.264 4.861 1.00 0.00 N ATOM 0 H ARG A 96 -0.936 -6.599 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.631 -8.920 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.645 -7.629 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.890 -8.765 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.144 -9.729 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.690 -9.436 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.915 -10.957 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.454 -11.777 0.852 1.00 0.00 H new ATOM 0 HE ARG A 96 0.191 -10.476 3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.027 -12.979 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.051 -13.827 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.150 -11.575 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.826 -13.036 5.437 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.650 -6.285 -0.539 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.635 -5.255 -0.238 1.00 0.00 C ATOM 1382 C ILE A 97 -5.923 -5.507 -1.012 1.00 0.00 C ATOM 1383 O ILE A 97 -5.930 -5.491 -2.239 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.089 -3.851 -0.577 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.929 -3.499 0.357 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.189 -2.802 -0.478 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.346 -3.324 1.802 1.00 0.00 C ATOM 0 H ILE A 97 -3.442 -6.398 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.846 -5.297 0.831 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.724 -3.862 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.175 -4.284 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.460 -2.579 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.780 -1.821 -0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.988 -3.046 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.587 -2.787 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.473 -3.076 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.078 -2.519 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.788 -4.251 2.168 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.012 -5.733 -0.289 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.284 -5.988 -0.936 1.00 0.00 C ATOM 1401 C GLY A 98 -9.344 -4.966 -0.574 1.00 0.00 C ATOM 1402 O GLY A 98 -9.069 -4.001 0.140 1.00 0.00 O ATOM 0 H GLY A 98 -7.038 -5.744 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.142 -5.990 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.635 -6.982 -0.658 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.560 -5.182 -1.065 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.671 -4.279 -0.788 1.00 0.00 C ATOM 1408 C ASN A 99 -12.938 -5.065 -0.464 1.00 0.00 C ATOM 1409 O ASN A 99 -13.566 -5.642 -1.351 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.921 -3.357 -1.983 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.205 -4.126 -3.259 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.370 -4.897 -3.732 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.390 -3.919 -3.823 1.00 0.00 N ATOM 0 H ASN A 99 -10.801 -5.976 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.406 -3.672 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.763 -2.701 -1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.051 -2.718 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.638 -4.408 -4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.052 -3.271 -3.396 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.305 -5.087 0.813 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.495 -5.806 1.254 1.00 0.00 C ATOM 1422 C ASP A 100 -15.695 -4.870 1.353 1.00 0.00 C ATOM 1423 O ASP A 100 -15.699 -3.931 2.149 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.242 -6.473 2.607 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.385 -7.374 3.031 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.481 -6.849 3.316 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.184 -8.606 3.076 1.00 0.00 O ATOM 0 H ASP A 100 -12.796 -4.615 1.561 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.718 -6.574 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.323 -7.057 2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.089 -5.705 3.365 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.713 -5.134 0.540 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.922 -4.317 0.534 1.00 0.00 C ATOM 1434 C CYS A 101 -17.591 -2.851 0.274 1.00 0.00 C ATOM 1435 O CYS A 101 -18.284 -1.953 0.753 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.662 -4.456 1.866 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.368 -3.857 1.829 1.00 0.00 S ATOM 0 H CYS A 101 -16.725 -5.908 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.565 -4.672 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.663 -5.505 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.113 -3.910 2.633 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.394 -2.651 1.345 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.527 -2.617 -0.486 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.122 -1.258 -0.795 1.00 0.00 C ATOM 1445 C GLY A 102 -15.122 -0.703 0.203 1.00 0.00 C ATOM 1446 O GLY A 102 -14.472 0.309 -0.060 1.00 0.00 O ATOM 0 H GLY A 102 -15.938 -3.343 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.685 -1.232 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.003 -0.616 -0.815 1.00 0.00 H new ATOM 1450 N THR A 103 -14.998 -1.364 1.351 1.00 0.00 N ATOM 1451 CA THR A 103 -14.071 -0.926 2.387 1.00 0.00 C ATOM 1452 C THR A 103 -12.680 -1.505 2.152 1.00 0.00 C ATOM 1453 O THR A 103 -12.539 -2.632 1.677 1.00 0.00 O ATOM 1454 CB THR A 103 -14.583 -1.340 3.767 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.907 -0.880 3.970 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.733 -0.813 4.904 1.00 0.00 C ATOM 0 H THR A 103 -15.528 -2.204 1.586 1.00 0.00 H new ATOM 0 HA THR A 103 -14.004 0.161 2.344 1.00 0.00 H new ATOM 0 HB THR A 103 -14.538 -2.429 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.217 -1.156 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.152 -1.143 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.716 -1.192 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.719 0.276 4.873 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.656 -0.728 2.488 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.276 -1.165 2.314 1.00 0.00 C ATOM 1466 C LEU A 104 -9.907 -2.223 3.350 1.00 0.00 C ATOM 1467 O LEU A 104 -10.129 -2.038 4.546 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.324 0.030 2.419 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.670 0.454 1.103 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.745 -0.639 0.590 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.731 0.789 0.065 1.00 0.00 C ATOM 0 H LEU A 104 -11.756 0.207 2.882 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.181 -1.607 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.875 0.879 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.539 -0.212 3.136 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.074 1.348 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.289 -0.319 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.965 -0.831 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.318 -1.551 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.248 1.089 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.353 -0.088 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.353 1.606 0.431 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.343 -3.331 2.881 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.943 -4.418 3.767 1.00 0.00 C ATOM 1485 C ILE A 105 -7.555 -4.934 3.406 1.00 0.00 C ATOM 1486 O ILE A 105 -6.961 -4.508 2.416 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.945 -5.588 3.713 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.047 -6.137 2.289 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.310 -5.142 4.214 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.160 -7.645 2.229 1.00 0.00 C ATOM 0 H ILE A 105 -9.153 -3.500 1.893 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.927 -4.013 4.779 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.584 -6.384 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.915 -5.696 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.169 -5.824 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.006 -5.980 4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.224 -4.796 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.680 -4.330 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.229 -7.964 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.280 -8.094 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.053 -7.965 2.766 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.043 -5.855 4.216 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.725 -6.428 3.982 1.00 0.00 C ATOM 1504 C PHE A 106 -5.807 -7.952 3.904 1.00 0.00 C ATOM 1505 O PHE A 106 -6.518 -8.587 4.683 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.761 -5.995 5.093 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.600 -6.927 5.291 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.709 -8.010 6.145 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.405 -6.720 4.622 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.646 -8.873 6.331 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.338 -7.578 4.803 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.458 -8.657 5.658 1.00 0.00 C ATOM 0 H PHE A 106 -7.522 -6.220 5.040 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.347 -6.060 3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.380 -5.000 4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.314 -5.915 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.636 -8.183 6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.307 -5.879 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.743 -9.715 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.411 -7.406 4.277 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.625 -9.330 5.800 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.074 -8.529 2.958 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.062 -9.975 2.775 1.00 0.00 C ATOM 1524 C LEU A 107 -4.389 -10.666 3.957 1.00 0.00 C ATOM 1525 O LEU A 107 -3.162 -10.690 4.059 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.337 -10.338 1.478 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.227 -10.404 0.235 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.325 -11.440 0.419 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -5.825 -9.037 -0.066 1.00 0.00 C ATOM 0 H LEU A 107 -4.480 -8.017 2.306 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.095 -10.319 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.549 -9.606 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.851 -11.305 1.610 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.612 -10.704 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.948 -11.473 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.877 -12.420 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.938 -11.171 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.455 -9.103 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.426 -8.708 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.023 -8.320 -0.243 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.200 -11.227 4.849 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.683 -11.918 6.024 1.00 0.00 C ATOM 1543 C ALA A 108 -5.126 -13.377 6.042 1.00 0.00 C ATOM 1544 O ALA A 108 -4.815 -14.077 7.028 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.136 -11.212 7.293 1.00 0.00 C ATOM 1546 OXT ALA A 108 -5.780 -13.807 5.069 1.00 0.00 O ATOM 0 H ALA A 108 -6.218 -11.216 4.780 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.594 -11.896 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.743 -11.739 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.765 -10.187 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.225 -11.204 7.336 1.00 0.00 H new