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= -0.038 USER MOD Set 1.2: A 61 ASN :FLIP amide:sc= -1.55 F(o=-2.4,f=-1.6) USER MOD Set 2.1: A 8 SER OG : rot 129:sc= -1.53! USER MOD Set 2.2: A 23 CYS SG : rot -113:sc= -2.07 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -1.9 F(o=-5.5,f=-2.5) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.627 K(o=-2.5,f=-4.3!) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -5.23! X(o=-12!,f=-12) USER MOD Set 4.2: A 92 ASN : amide:sc= -5.6! C(o=-12!,f=-23!) USER MOD Set 4.3: A 94 SER OG : rot 72:sc= -1.1 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.303 F(o=-1.2,f=-0.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -7.06! C(o=-7.1!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-5.9) USER MOD Single : A 25 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.8!) USER MOD Single : A 33 SER OG : rot 115:sc= 0.145 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 101:sc= 0.357 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.54! C(o=-5.5!,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= -0.168 F(o=-1.3,f=-0.17) USER MOD Single : A 56 SER OG : rot 160:sc= -1.2 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 : amide:sc= -0.0547 X(o=-0.055,f=-0.49) USER MOD Single : A 80 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.26) USER MOD Single : A 99 ASN : amide:sc= -2.24 K(o=-2.2,f=-5.6!) USER MOD Single : A 101 CYS SG : rot -39:sc= -0.33 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.866 -8.636 -3.984 1.00 0.00 N ATOM 21 CA GLY A 2 -5.322 -7.276 -3.767 1.00 0.00 C ATOM 22 C GLY A 2 -5.867 -6.646 -5.027 1.00 0.00 C ATOM 23 O GLY A 2 -5.425 -5.578 -5.450 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.095 -7.273 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.495 -6.674 -3.391 1.00 0.00 H new ATOM 27 N ASN A 3 -6.848 -7.314 -5.610 1.00 0.00 N ATOM 28 CA ASN A 3 -7.507 -6.844 -6.820 1.00 0.00 C ATOM 29 C ASN A 3 -8.141 -5.471 -6.603 1.00 0.00 C ATOM 30 O ASN A 3 -8.529 -4.803 -7.559 1.00 0.00 O ATOM 31 CB ASN A 3 -8.565 -7.847 -7.300 1.00 0.00 C ATOM 32 CG ASN A 3 -9.271 -8.560 -6.162 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.856 -7.790 -5.256 1.00 0.00 O flip ATOM 34 ND2 ASN A 3 -9.289 -9.789 -6.101 1.00 0.00 N flip ATOM 0 H ASN A 3 -7.212 -8.200 -5.258 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.744 -6.753 -7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.304 -7.324 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.090 -8.586 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.825 -10.342 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.768 -10.254 -5.330 1.00 0.00 H new ATOM 41 N PHE A 4 -8.278 -5.065 -5.339 1.00 0.00 N ATOM 42 CA PHE A 4 -8.903 -3.787 -5.012 1.00 0.00 C ATOM 43 C PHE A 4 -8.379 -2.665 -5.907 1.00 0.00 C ATOM 44 O PHE A 4 -9.113 -1.740 -6.249 1.00 0.00 O ATOM 45 CB PHE A 4 -8.653 -3.436 -3.538 1.00 0.00 C ATOM 46 CG PHE A 4 -7.432 -2.583 -3.311 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.163 -3.085 -3.557 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.556 -1.278 -2.860 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.042 -2.302 -3.356 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.438 -0.491 -2.657 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.179 -1.003 -2.906 1.00 0.00 C ATOM 0 H PHE A 4 -7.965 -5.602 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.975 -3.887 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.526 -2.915 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.550 -4.359 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.049 -4.099 -3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.537 -0.872 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.059 -2.705 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.548 0.524 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.304 -0.389 -2.749 1.00 0.00 H new ATOM 61 N HIS A 5 -7.113 -2.757 -6.289 1.00 0.00 N ATOM 62 CA HIS A 5 -6.506 -1.751 -7.147 1.00 0.00 C ATOM 63 C HIS A 5 -7.173 -1.741 -8.520 1.00 0.00 C ATOM 64 O HIS A 5 -7.398 -0.683 -9.107 1.00 0.00 O ATOM 65 CB HIS A 5 -5.002 -2.013 -7.282 1.00 0.00 C ATOM 66 CG HIS A 5 -4.635 -2.916 -8.422 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.321 -2.448 -9.680 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.539 -4.265 -8.490 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.048 -3.468 -10.473 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.173 -4.582 -9.775 1.00 0.00 N ATOM 0 H HIS A 5 -6.488 -3.516 -6.019 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.652 -0.771 -6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.488 -1.060 -7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.636 -2.452 -6.354 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.302 -1.466 -9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.717 -4.962 -7.684 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.770 -3.402 -11.515 1.00 0.00 H new ATOM 79 N GLU A 6 -7.483 -2.931 -9.025 1.00 0.00 N ATOM 80 CA GLU A 6 -8.120 -3.065 -10.328 1.00 0.00 C ATOM 81 C GLU A 6 -9.609 -2.733 -10.249 1.00 0.00 C ATOM 82 O GLU A 6 -10.232 -2.394 -11.255 1.00 0.00 O ATOM 83 CB GLU A 6 -7.919 -4.484 -10.868 1.00 0.00 C ATOM 84 CG GLU A 6 -8.694 -5.552 -10.109 1.00 0.00 C ATOM 85 CD GLU A 6 -9.242 -6.633 -11.020 1.00 0.00 C ATOM 86 OE1 GLU A 6 -8.435 -7.301 -11.699 1.00 0.00 O ATOM 87 OE2 GLU A 6 -10.478 -6.811 -11.054 1.00 0.00 O ATOM 0 H GLU A 6 -7.303 -3.816 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.653 -2.355 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.218 -4.509 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.857 -4.727 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.043 -6.007 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.518 -5.084 -9.570 1.00 0.00 H new ATOM 94 N SER A 7 -10.174 -2.835 -9.049 1.00 0.00 N ATOM 95 CA SER A 7 -11.589 -2.546 -8.846 1.00 0.00 C ATOM 96 C SER A 7 -11.786 -1.248 -8.065 1.00 0.00 C ATOM 97 O SER A 7 -12.870 -0.990 -7.542 1.00 0.00 O ATOM 98 CB SER A 7 -12.263 -3.704 -8.107 1.00 0.00 C ATOM 99 OG SER A 7 -13.618 -3.841 -8.501 1.00 0.00 O ATOM 0 H SER A 7 -9.674 -3.115 -8.205 1.00 0.00 H new ATOM 0 HA SER A 7 -12.049 -2.425 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.726 -4.631 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.209 -3.534 -7.032 1.00 0.00 H new ATOM 0 HG SER A 7 -14.026 -4.588 -8.016 1.00 0.00 H new ATOM 105 N SER A 8 -10.738 -0.429 -7.990 1.00 0.00 N ATOM 106 CA SER A 8 -10.815 0.839 -7.273 1.00 0.00 C ATOM 107 C SER A 8 -10.237 1.974 -8.110 1.00 0.00 C ATOM 108 O SER A 8 -9.458 1.744 -9.034 1.00 0.00 O ATOM 109 CB SER A 8 -10.071 0.748 -5.939 1.00 0.00 C ATOM 110 OG SER A 8 -10.304 1.898 -5.145 1.00 0.00 O ATOM 0 H SER A 8 -9.831 -0.621 -8.415 1.00 0.00 H new ATOM 0 HA SER A 8 -11.867 1.050 -7.080 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.394 -0.142 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.002 0.639 -6.122 1.00 0.00 H new ATOM 0 HG SER A 8 -10.584 1.624 -4.247 1.00 0.00 H new ATOM 116 N ASN A 9 -10.624 3.201 -7.777 1.00 0.00 N ATOM 117 CA ASN A 9 -10.146 4.375 -8.493 1.00 0.00 C ATOM 118 C ASN A 9 -9.456 5.343 -7.538 1.00 0.00 C ATOM 119 O ASN A 9 -9.668 5.295 -6.327 1.00 0.00 O ATOM 120 CB ASN A 9 -11.307 5.073 -9.205 1.00 0.00 C ATOM 121 CG ASN A 9 -10.914 6.412 -9.797 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.872 7.437 -8.955 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.650 6.524 -10.994 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.269 3.407 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.421 4.050 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.682 4.426 -9.998 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.125 5.219 -8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.695 5.708 -11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.386 7.432 -11.375 1.00 0.00 H new ATOM 130 N ASN A 10 -8.631 6.219 -8.095 1.00 0.00 N ATOM 131 CA ASN A 10 -7.907 7.201 -7.298 1.00 0.00 C ATOM 132 C ASN A 10 -7.000 6.517 -6.279 1.00 0.00 C ATOM 133 O ASN A 10 -7.129 6.733 -5.073 1.00 0.00 O ATOM 134 CB ASN A 10 -8.890 8.130 -6.581 1.00 0.00 C ATOM 135 CG ASN A 10 -9.300 9.312 -7.437 1.00 0.00 C ATOM 136 OD1 ASN A 10 -8.895 9.426 -8.594 1.00 0.00 O ATOM 137 ND2 ASN A 10 -10.110 10.199 -6.871 1.00 0.00 N ATOM 0 H ASN A 10 -8.446 6.270 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.284 7.790 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.778 7.565 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.436 8.493 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.421 11.015 -7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.421 10.065 -5.909 1.00 0.00 H new ATOM 144 N ILE A 11 -6.078 5.694 -6.769 1.00 0.00 N ATOM 145 CA ILE A 11 -5.148 4.984 -5.896 1.00 0.00 C ATOM 146 C ILE A 11 -3.855 5.775 -5.735 1.00 0.00 C ATOM 147 O ILE A 11 -3.130 6.003 -6.705 1.00 0.00 O ATOM 148 CB ILE A 11 -4.809 3.572 -6.429 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.941 3.032 -7.309 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.537 2.619 -5.272 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.277 2.970 -6.604 1.00 0.00 C ATOM 0 H ILE A 11 -5.955 5.502 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.644 4.877 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.910 3.647 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.035 3.662 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.676 2.033 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.300 1.630 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.695 2.989 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.421 2.556 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.031 2.578 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.200 2.316 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.565 3.970 -6.281 1.00 0.00 H new ATOM 163 N TRP A 12 -3.572 6.195 -4.507 1.00 0.00 N ATOM 164 CA TRP A 12 -2.366 6.965 -4.222 1.00 0.00 C ATOM 165 C TRP A 12 -2.046 6.943 -2.731 1.00 0.00 C ATOM 166 O TRP A 12 -2.842 6.465 -1.924 1.00 0.00 O ATOM 167 CB TRP A 12 -2.535 8.410 -4.698 1.00 0.00 C ATOM 168 CG TRP A 12 -3.630 9.145 -3.987 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.970 8.888 -4.057 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.481 10.259 -3.100 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.662 9.774 -3.267 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.770 10.626 -2.670 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.381 10.983 -2.627 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.989 11.683 -1.790 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.600 12.032 -1.754 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.895 12.373 -1.343 1.00 0.00 C ATOM 0 H TRP A 12 -4.160 6.016 -3.693 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.536 6.507 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.596 8.944 -4.555 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.742 8.411 -5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.420 8.103 -4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.674 9.794 -3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.379 10.727 -2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.986 11.949 -1.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.759 12.598 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.033 13.198 -0.659 1.00 0.00 H new ATOM 187 N LEU A 13 -0.877 7.462 -2.373 1.00 0.00 N ATOM 188 CA LEU A 13 -0.454 7.499 -0.978 1.00 0.00 C ATOM 189 C LEU A 13 -0.216 8.933 -0.515 1.00 0.00 C ATOM 190 O LEU A 13 0.248 9.776 -1.282 1.00 0.00 O ATOM 191 CB LEU A 13 0.819 6.672 -0.788 1.00 0.00 C ATOM 192 CG LEU A 13 0.913 5.926 0.544 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.271 4.986 0.717 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.225 5.160 0.633 1.00 0.00 C ATOM 0 H LEU A 13 -0.206 7.863 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.253 7.071 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.887 5.947 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.681 7.333 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 13 0.887 6.658 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.185 4.465 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.197 5.560 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.280 4.258 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.276 4.635 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.281 4.438 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.059 5.857 0.558 1.00 0.00 H new ATOM 206 N GLU A 14 -0.536 9.199 0.748 1.00 0.00 N ATOM 207 CA GLU A 14 -0.356 10.528 1.320 1.00 0.00 C ATOM 208 C GLU A 14 0.697 10.500 2.423 1.00 0.00 C ATOM 209 O GLU A 14 0.552 9.789 3.417 1.00 0.00 O ATOM 210 CB GLU A 14 -1.685 11.054 1.869 1.00 0.00 C ATOM 211 CG GLU A 14 -1.553 12.337 2.675 1.00 0.00 C ATOM 212 CD GLU A 14 -2.866 12.777 3.291 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.901 12.711 2.593 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.861 13.189 4.470 1.00 0.00 O ATOM 0 H GLU A 14 -0.921 8.511 1.395 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.012 11.198 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.368 11.228 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.137 10.286 2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.816 12.191 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.175 13.130 2.029 1.00 0.00 H new ATOM 221 N ASP A 15 1.757 11.277 2.235 1.00 0.00 N ATOM 222 CA ASP A 15 2.843 11.344 3.208 1.00 0.00 C ATOM 223 C ASP A 15 3.499 9.977 3.398 1.00 0.00 C ATOM 224 O ASP A 15 4.203 9.749 4.382 1.00 0.00 O ATOM 225 CB ASP A 15 2.323 11.872 4.548 1.00 0.00 C ATOM 226 CG ASP A 15 2.965 13.189 4.938 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.099 13.454 4.487 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.334 13.955 5.696 1.00 0.00 O ATOM 0 H ASP A 15 1.889 11.871 1.416 1.00 0.00 H new ATOM 0 HA ASP A 15 3.597 12.031 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.242 12.001 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.515 11.133 5.326 1.00 0.00 H new ATOM 233 N GLY A 16 3.272 9.073 2.448 1.00 0.00 N ATOM 234 CA GLY A 16 3.855 7.747 2.527 1.00 0.00 C ATOM 235 C GLY A 16 3.432 6.983 3.767 1.00 0.00 C ATOM 236 O GLY A 16 4.276 6.538 4.545 1.00 0.00 O ATOM 0 H GLY A 16 2.693 9.237 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.570 7.178 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.942 7.833 2.514 1.00 0.00 H new ATOM 240 N HIS A 17 2.125 6.819 3.949 1.00 0.00 N ATOM 241 CA HIS A 17 1.602 6.091 5.102 1.00 0.00 C ATOM 242 C HIS A 17 0.080 5.959 5.038 1.00 0.00 C ATOM 243 O HIS A 17 -0.484 4.978 5.522 1.00 0.00 O ATOM 244 CB HIS A 17 2.030 6.768 6.409 1.00 0.00 C ATOM 245 CG HIS A 17 1.312 8.049 6.706 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.235 9.097 5.813 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.645 8.451 7.814 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.552 10.088 6.359 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.183 9.721 7.572 1.00 0.00 N ATOM 0 H HIS A 17 1.411 7.179 3.316 1.00 0.00 H new ATOM 0 HA HIS A 17 2.023 5.086 5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.867 6.074 7.234 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.101 6.967 6.367 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.642 9.106 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.503 7.879 8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.333 11.037 5.892 1.00 0.00 H new ATOM 258 N ILE A 18 -0.581 6.944 4.436 1.00 0.00 N ATOM 259 CA ILE A 18 -2.035 6.921 4.312 1.00 0.00 C ATOM 260 C ILE A 18 -2.454 6.493 2.907 1.00 0.00 C ATOM 261 O ILE A 18 -2.005 7.062 1.913 1.00 0.00 O ATOM 262 CB ILE A 18 -2.650 8.299 4.637 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.346 8.681 6.087 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.154 8.295 4.387 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.145 7.896 7.107 1.00 0.00 C ATOM 0 H ILE A 18 -0.135 7.765 4.028 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.409 6.195 5.034 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.202 9.042 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.283 8.530 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.546 9.744 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.565 9.277 4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.348 8.063 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.626 7.543 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.874 8.223 8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.209 8.066 6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.927 6.833 7.000 1.00 0.00 H new ATOM 277 N LEU A 19 -3.315 5.483 2.837 1.00 0.00 N ATOM 278 CA LEU A 19 -3.796 4.970 1.559 1.00 0.00 C ATOM 279 C LEU A 19 -5.245 5.378 1.316 1.00 0.00 C ATOM 280 O LEU A 19 -6.073 5.333 2.225 1.00 0.00 O ATOM 281 CB LEU A 19 -3.672 3.444 1.525 1.00 0.00 C ATOM 282 CG LEU A 19 -3.824 2.804 0.143 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.262 2.906 -0.342 1.00 0.00 C ATOM 284 CD2 LEU A 19 -2.875 3.454 -0.852 1.00 0.00 C ATOM 0 H LEU A 19 -3.695 5.002 3.653 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.181 5.400 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.699 3.166 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.426 3.020 2.188 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.567 1.748 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.348 2.445 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.920 2.391 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.551 3.955 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.996 2.987 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.100 4.518 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.847 3.324 -0.513 1.00 0.00 H new ATOM 296 N HIS A 20 -5.545 5.767 0.081 1.00 0.00 N ATOM 297 CA HIS A 20 -6.898 6.173 -0.289 1.00 0.00 C ATOM 298 C HIS A 20 -7.283 5.571 -1.636 1.00 0.00 C ATOM 299 O HIS A 20 -6.513 5.631 -2.595 1.00 0.00 O ATOM 300 CB HIS A 20 -7.025 7.702 -0.349 1.00 0.00 C ATOM 301 CG HIS A 20 -5.836 8.441 0.184 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.607 8.437 -0.439 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.697 9.219 1.283 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.762 9.180 0.254 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.399 9.666 1.303 1.00 0.00 N ATOM 0 H HIS A 20 -4.869 5.810 -0.682 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.577 5.802 0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.190 8.001 -1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.908 8.004 0.214 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.384 7.938 -1.301 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.464 9.446 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.727 9.359 0.005 1.00 0.00 H new ATOM 314 N ALA A 21 -8.474 4.989 -1.703 1.00 0.00 N ATOM 315 CA ALA A 21 -8.952 4.376 -2.935 1.00 0.00 C ATOM 316 C ALA A 21 -10.463 4.178 -2.904 1.00 0.00 C ATOM 317 O ALA A 21 -11.031 3.818 -1.874 1.00 0.00 O ATOM 318 CB ALA A 21 -8.246 3.049 -3.167 1.00 0.00 C ATOM 0 H ALA A 21 -9.125 4.929 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.722 5.049 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.611 2.599 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.172 3.217 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.449 2.378 -2.332 1.00 0.00 H new ATOM 324 N GLU A 22 -11.108 4.415 -4.042 1.00 0.00 N ATOM 325 CA GLU A 22 -12.555 4.263 -4.148 1.00 0.00 C ATOM 326 C GLU A 22 -12.917 2.856 -4.610 1.00 0.00 C ATOM 327 O GLU A 22 -12.884 2.557 -5.803 1.00 0.00 O ATOM 328 CB GLU A 22 -13.133 5.293 -5.123 1.00 0.00 C ATOM 329 CG GLU A 22 -12.389 6.620 -5.131 1.00 0.00 C ATOM 330 CD GLU A 22 -13.324 7.814 -5.140 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.406 7.725 -4.522 1.00 0.00 O ATOM 332 OE2 GLU A 22 -12.974 8.837 -5.764 1.00 0.00 O ATOM 0 H GLU A 22 -10.651 4.713 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.985 4.430 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.119 4.874 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.177 5.475 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.744 6.675 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.742 6.664 -6.007 1.00 0.00 H new ATOM 339 N CYS A 23 -13.261 1.995 -3.659 1.00 0.00 N ATOM 340 CA CYS A 23 -13.626 0.619 -3.971 1.00 0.00 C ATOM 341 C CYS A 23 -15.136 0.421 -3.886 1.00 0.00 C ATOM 342 O CYS A 23 -15.773 0.832 -2.916 1.00 0.00 O ATOM 343 CB CYS A 23 -12.918 -0.346 -3.019 1.00 0.00 C ATOM 344 SG CYS A 23 -11.159 0.006 -2.788 1.00 0.00 S ATOM 0 H CYS A 23 -13.295 2.226 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.309 0.409 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.415 -0.313 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.028 -1.361 -3.400 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.453 -0.957 -3.301 1.00 0.00 H new ATOM 350 N GLY A 24 -15.702 -0.214 -4.907 1.00 0.00 N ATOM 351 CA GLY A 24 -17.133 -0.457 -4.928 1.00 0.00 C ATOM 352 C GLY A 24 -17.543 -1.575 -3.990 1.00 0.00 C ATOM 353 O GLY A 24 -16.706 -2.147 -3.292 1.00 0.00 O ATOM 0 H GLY A 24 -15.196 -0.565 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.658 0.457 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.442 -0.707 -5.943 1.00 0.00 H new ATOM 357 N ASN A 25 -18.835 -1.888 -3.973 1.00 0.00 N ATOM 358 CA ASN A 25 -19.354 -2.948 -3.112 1.00 0.00 C ATOM 359 C ASN A 25 -19.901 -4.103 -3.945 1.00 0.00 C ATOM 360 O ASN A 25 -19.760 -5.269 -3.576 1.00 0.00 O ATOM 361 CB ASN A 25 -20.449 -2.410 -2.177 1.00 0.00 C ATOM 362 CG ASN A 25 -20.883 -0.997 -2.522 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.621 -0.055 -1.774 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.551 -0.845 -3.658 1.00 0.00 N ATOM 0 H ASN A 25 -19.542 -1.424 -4.544 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.528 -3.316 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.314 -3.071 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.085 -2.432 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.870 0.081 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.746 -1.654 -4.247 1.00 0.00 H new ATOM 433 N VAL A 31 -17.014 3.379 -3.338 1.00 0.00 N ATOM 434 CA VAL A 31 -16.971 3.825 -1.950 1.00 0.00 C ATOM 435 C VAL A 31 -15.563 4.253 -1.551 1.00 0.00 C ATOM 436 O VAL A 31 -14.644 3.436 -1.508 1.00 0.00 O ATOM 437 CB VAL A 31 -17.449 2.720 -0.990 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.599 3.267 0.422 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.756 2.115 -1.478 1.00 0.00 C ATOM 0 HA VAL A 31 -17.643 4.680 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.697 1.931 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.938 2.472 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.638 3.645 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.329 4.076 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.077 1.336 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.519 2.891 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.610 1.683 -2.468 1.00 0.00 H new ATOM 449 N GLU A 32 -15.402 5.540 -1.261 1.00 0.00 N ATOM 450 CA GLU A 32 -14.112 6.081 -0.867 1.00 0.00 C ATOM 451 C GLU A 32 -13.665 5.515 0.477 1.00 0.00 C ATOM 452 O GLU A 32 -14.298 5.756 1.505 1.00 0.00 O ATOM 453 CB GLU A 32 -14.186 7.604 -0.790 1.00 0.00 C ATOM 454 CG GLU A 32 -12.857 8.283 -1.048 1.00 0.00 C ATOM 455 CD GLU A 32 -12.961 9.796 -1.040 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.434 10.353 -0.028 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.568 10.423 -2.047 1.00 0.00 O ATOM 0 H GLU A 32 -16.154 6.228 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.379 5.791 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.916 7.962 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.549 7.894 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.140 7.968 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.467 7.955 -2.012 1.00 0.00 H new ATOM 464 N SER A 33 -12.568 4.766 0.461 1.00 0.00 N ATOM 465 CA SER A 33 -12.030 4.170 1.678 1.00 0.00 C ATOM 466 C SER A 33 -10.547 4.496 1.821 1.00 0.00 C ATOM 467 O SER A 33 -9.924 5.008 0.891 1.00 0.00 O ATOM 468 CB SER A 33 -12.236 2.656 1.665 1.00 0.00 C ATOM 469 OG SER A 33 -13.615 2.330 1.640 1.00 0.00 O ATOM 0 H SER A 33 -12.034 4.557 -0.382 1.00 0.00 H new ATOM 0 HA SER A 33 -12.563 4.589 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.741 2.226 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.771 2.215 2.546 1.00 0.00 H new ATOM 0 HG SER A 33 -13.830 1.883 0.795 1.00 0.00 H new ATOM 475 N THR A 34 -9.986 4.202 2.989 1.00 0.00 N ATOM 476 CA THR A 34 -8.576 4.474 3.239 1.00 0.00 C ATOM 477 C THR A 34 -7.983 3.468 4.222 1.00 0.00 C ATOM 478 O THR A 34 -8.688 2.918 5.068 1.00 0.00 O ATOM 479 CB THR A 34 -8.401 5.895 3.777 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.027 6.035 5.039 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.974 6.955 2.860 1.00 0.00 C ATOM 0 H THR A 34 -10.483 3.778 3.773 1.00 0.00 H new ATOM 0 HA THR A 34 -8.043 4.378 2.293 1.00 0.00 H new ATOM 0 HB THR A 34 -7.324 6.045 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.902 6.950 5.366 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.817 7.940 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.476 6.906 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.042 6.783 2.728 1.00 0.00 H new ATOM 489 N LEU A 35 -6.679 3.237 4.101 1.00 0.00 N ATOM 490 CA LEU A 35 -5.979 2.302 4.974 1.00 0.00 C ATOM 491 C LEU A 35 -4.634 2.876 5.407 1.00 0.00 C ATOM 492 O LEU A 35 -3.953 3.542 4.628 1.00 0.00 O ATOM 493 CB LEU A 35 -5.768 0.965 4.260 1.00 0.00 C ATOM 494 CG LEU A 35 -5.617 -0.246 5.186 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.863 -1.118 5.134 1.00 0.00 C ATOM 496 CD2 LEU A 35 -4.383 -1.055 4.812 1.00 0.00 C ATOM 0 H LEU A 35 -6.085 3.686 3.404 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.592 2.139 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.611 0.790 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.877 1.040 3.636 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.494 0.116 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.737 -1.973 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.728 -0.536 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.018 -1.471 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.293 -1.911 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.476 -1.406 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.496 -0.428 4.903 1.00 0.00 H new ATOM 508 N ASP A 36 -4.254 2.613 6.653 1.00 0.00 N ATOM 509 CA ASP A 36 -2.991 3.103 7.184 1.00 0.00 C ATOM 510 C ASP A 36 -1.935 2.006 7.167 1.00 0.00 C ATOM 511 O ASP A 36 -2.138 0.921 7.704 1.00 0.00 O ATOM 512 CB ASP A 36 -3.180 3.629 8.609 1.00 0.00 C ATOM 513 CG ASP A 36 -2.427 4.921 8.852 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.302 5.061 8.327 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.961 5.794 9.568 1.00 0.00 O ATOM 0 H ASP A 36 -4.804 2.063 7.313 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.650 3.920 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.242 3.790 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.841 2.875 9.320 1.00 0.00 H new ATOM 520 N LEU A 37 -0.811 2.295 6.534 1.00 0.00 N ATOM 521 CA LEU A 37 0.286 1.341 6.446 1.00 0.00 C ATOM 522 C LEU A 37 1.214 1.480 7.637 1.00 0.00 C ATOM 523 O LEU A 37 1.867 0.521 8.050 1.00 0.00 O ATOM 524 CB LEU A 37 1.064 1.550 5.163 1.00 0.00 C ATOM 525 CG LEU A 37 0.219 1.994 3.980 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.959 3.049 3.193 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.145 0.798 3.121 1.00 0.00 C ATOM 0 H LEU A 37 -0.632 3.186 6.071 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.137 0.336 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.839 2.296 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.570 0.620 4.904 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.712 2.435 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.350 3.365 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.161 3.907 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.901 2.638 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.750 1.127 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.765 0.324 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.712 0.082 3.716 1.00 0.00 H new ATOM 539 N ASP A 38 1.266 2.689 8.189 1.00 0.00 N ATOM 540 CA ASP A 38 2.113 2.968 9.339 1.00 0.00 C ATOM 541 C ASP A 38 1.775 2.040 10.500 1.00 0.00 C ATOM 542 O ASP A 38 2.500 1.990 11.494 1.00 0.00 O ATOM 543 CB ASP A 38 1.955 4.426 9.774 1.00 0.00 C ATOM 544 CG ASP A 38 2.894 4.796 10.905 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.052 4.329 10.892 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.471 5.553 11.804 1.00 0.00 O ATOM 0 H ASP A 38 0.730 3.490 7.856 1.00 0.00 H new ATOM 0 HA ASP A 38 3.149 2.794 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.142 5.079 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.926 4.599 10.088 1.00 0.00 H new ATOM 551 N TYR A 39 0.673 1.304 10.373 1.00 0.00 N ATOM 552 CA TYR A 39 0.261 0.383 11.427 1.00 0.00 C ATOM 553 C TYR A 39 -0.025 -1.017 10.877 1.00 0.00 C ATOM 554 O TYR A 39 -0.384 -1.922 11.630 1.00 0.00 O ATOM 555 CB TYR A 39 -0.959 0.941 12.172 1.00 0.00 C ATOM 556 CG TYR A 39 -2.295 0.491 11.619 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.595 0.643 10.275 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.254 -0.080 12.446 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.815 0.238 9.765 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.476 -0.487 11.946 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.752 -0.326 10.605 1.00 0.00 C ATOM 562 OH TYR A 39 -5.967 -0.730 10.102 1.00 0.00 O ATOM 0 H TYR A 39 0.057 1.327 9.561 1.00 0.00 H new ATOM 0 HA TYR A 39 1.087 0.288 12.131 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.896 0.645 13.219 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.918 2.030 12.146 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.864 1.085 9.614 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.041 -0.208 13.497 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.033 0.363 8.715 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.211 -0.929 12.602 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.963 -1.702 9.979 1.00 0.00 H new ATOM 572 N TYR A 40 0.140 -1.198 9.566 1.00 0.00 N ATOM 573 CA TYR A 40 -0.100 -2.496 8.945 1.00 0.00 C ATOM 574 C TYR A 40 1.119 -2.970 8.151 1.00 0.00 C ATOM 575 O TYR A 40 1.113 -4.066 7.591 1.00 0.00 O ATOM 576 CB TYR A 40 -1.329 -2.433 8.037 1.00 0.00 C ATOM 577 CG TYR A 40 -2.544 -3.115 8.626 1.00 0.00 C ATOM 578 CD1 TYR A 40 -3.083 -2.693 9.835 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.149 -4.183 7.975 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.191 -3.314 10.378 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.258 -4.809 8.513 1.00 0.00 C ATOM 582 CZ TYR A 40 -4.775 -4.371 9.713 1.00 0.00 C ATOM 583 OH TYR A 40 -5.878 -4.993 10.251 1.00 0.00 O ATOM 0 H TYR A 40 0.437 -0.467 8.920 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.283 -3.217 9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.569 -1.389 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.089 -2.896 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.628 -1.866 10.359 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.747 -4.529 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.598 -2.973 11.319 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.717 -5.638 7.995 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.167 -5.717 9.657 1.00 0.00 H new ATOM 593 N ILE A 41 2.165 -2.146 8.108 1.00 0.00 N ATOM 594 CA ILE A 41 3.383 -2.494 7.387 1.00 0.00 C ATOM 595 C ILE A 41 4.619 -2.039 8.158 1.00 0.00 C ATOM 596 O ILE A 41 4.655 -0.932 8.694 1.00 0.00 O ATOM 597 CB ILE A 41 3.402 -1.872 5.975 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.267 -2.450 5.132 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.743 -2.113 5.295 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.932 -1.613 3.921 1.00 0.00 C ATOM 0 H ILE A 41 2.191 -1.234 8.564 1.00 0.00 H new ATOM 0 HA ILE A 41 3.399 -3.579 7.289 1.00 0.00 H new ATOM 0 HB ILE A 41 3.259 -0.796 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.541 -3.453 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.377 -2.549 5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.733 -1.666 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.538 -1.661 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.920 -3.185 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.118 -2.082 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.627 -0.617 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.809 -1.535 3.279 1.00 0.00 H new ATOM 612 N GLY A 42 5.628 -2.902 8.211 1.00 0.00 N ATOM 613 CA GLY A 42 6.849 -2.570 8.921 1.00 0.00 C ATOM 614 C GLY A 42 8.088 -2.752 8.069 1.00 0.00 C ATOM 615 O GLY A 42 8.000 -3.136 6.903 1.00 0.00 O ATOM 0 H GLY A 42 5.622 -3.824 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.796 -1.536 9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.929 -3.196 9.810 1.00 0.00 H new ATOM 619 N ASN A 43 9.247 -2.473 8.656 1.00 0.00 N ATOM 620 CA ASN A 43 10.515 -2.605 7.948 1.00 0.00 C ATOM 621 C ASN A 43 11.242 -3.882 8.362 1.00 0.00 C ATOM 622 O ASN A 43 11.701 -4.007 9.497 1.00 0.00 O ATOM 623 CB ASN A 43 11.402 -1.388 8.220 1.00 0.00 C ATOM 624 CG ASN A 43 12.718 -1.448 7.467 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.101 -2.495 6.945 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.416 -0.321 7.406 1.00 0.00 N ATOM 0 H ASN A 43 9.334 -2.154 9.621 1.00 0.00 H new ATOM 0 HA ASN A 43 10.302 -2.661 6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.866 -0.482 7.937 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.602 -1.320 9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.308 -0.300 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.060 0.524 7.853 1.00 0.00 H new ATOM 633 N ASP A 44 11.344 -4.825 7.431 1.00 0.00 N ATOM 634 CA ASP A 44 12.019 -6.090 7.695 1.00 0.00 C ATOM 635 C ASP A 44 13.312 -6.194 6.893 1.00 0.00 C ATOM 636 O ASP A 44 13.294 -6.546 5.713 1.00 0.00 O ATOM 637 CB ASP A 44 11.099 -7.263 7.353 1.00 0.00 C ATOM 638 CG ASP A 44 11.704 -8.602 7.728 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.873 -8.858 8.939 1.00 0.00 O ATOM 640 OD2 ASP A 44 12.007 -9.394 6.812 1.00 0.00 O ATOM 0 H ASP A 44 10.968 -4.737 6.487 1.00 0.00 H new ATOM 0 HA ASP A 44 12.266 -6.127 8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.149 -7.139 7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.883 -7.252 6.285 1.00 0.00 H new ATOM 645 N ASP A 45 14.432 -5.885 7.538 1.00 0.00 N ATOM 646 CA ASP A 45 15.732 -5.944 6.881 1.00 0.00 C ATOM 647 C ASP A 45 15.778 -4.998 5.685 1.00 0.00 C ATOM 648 O ASP A 45 16.217 -5.373 4.598 1.00 0.00 O ATOM 649 CB ASP A 45 16.030 -7.375 6.427 1.00 0.00 C ATOM 650 CG ASP A 45 17.428 -7.523 5.861 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.376 -7.695 6.656 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.576 -7.467 4.622 1.00 0.00 O ATOM 0 H ASP A 45 14.465 -5.591 8.514 1.00 0.00 H new ATOM 0 HA ASP A 45 16.491 -5.632 7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.909 -8.054 7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.302 -7.673 5.672 1.00 0.00 H new ATOM 657 N GLY A 46 15.318 -3.769 5.893 1.00 0.00 N ATOM 658 CA GLY A 46 15.312 -2.789 4.824 1.00 0.00 C ATOM 659 C GLY A 46 14.316 -3.128 3.730 1.00 0.00 C ATOM 660 O GLY A 46 14.411 -2.614 2.616 1.00 0.00 O ATOM 0 H GLY A 46 14.949 -3.434 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.074 -1.808 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.311 -2.720 4.393 1.00 0.00 H new ATOM 664 N SER A 47 13.358 -3.995 4.048 1.00 0.00 N ATOM 665 CA SER A 47 12.343 -4.399 3.082 1.00 0.00 C ATOM 666 C SER A 47 10.943 -4.229 3.664 1.00 0.00 C ATOM 667 O SER A 47 10.775 -4.094 4.875 1.00 0.00 O ATOM 668 CB SER A 47 12.560 -5.853 2.660 1.00 0.00 C ATOM 669 OG SER A 47 13.922 -6.097 2.351 1.00 0.00 O ATOM 0 H SER A 47 13.264 -4.430 4.966 1.00 0.00 H new ATOM 0 HA SER A 47 12.434 -3.757 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.241 -6.519 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.941 -6.079 1.792 1.00 0.00 H new ATOM 0 HG SER A 47 14.035 -7.034 2.086 1.00 0.00 H new ATOM 675 N PHE A 48 9.941 -4.238 2.791 1.00 0.00 N ATOM 676 CA PHE A 48 8.555 -4.085 3.216 1.00 0.00 C ATOM 677 C PHE A 48 8.002 -5.400 3.756 1.00 0.00 C ATOM 678 O PHE A 48 8.291 -6.471 3.223 1.00 0.00 O ATOM 679 CB PHE A 48 7.695 -3.599 2.049 1.00 0.00 C ATOM 680 CG PHE A 48 7.844 -2.132 1.761 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.654 -1.194 2.763 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.173 -1.691 0.489 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.790 0.156 2.502 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.310 -0.342 0.222 1.00 0.00 C ATOM 685 CZ PHE A 48 8.118 0.583 1.230 1.00 0.00 C ATOM 0 H PHE A 48 10.063 -4.350 1.785 1.00 0.00 H new ATOM 0 HA PHE A 48 8.526 -3.345 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.958 -4.165 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.649 -3.814 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.397 -1.522 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.324 -2.410 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.640 0.877 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.567 -0.011 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.224 1.638 1.024 1.00 0.00 H new ATOM 695 N SER A 49 7.205 -5.311 4.816 1.00 0.00 N ATOM 696 CA SER A 49 6.611 -6.494 5.428 1.00 0.00 C ATOM 697 C SER A 49 5.113 -6.304 5.642 1.00 0.00 C ATOM 698 O SER A 49 4.684 -5.334 6.266 1.00 0.00 O ATOM 699 CB SER A 49 7.294 -6.802 6.762 1.00 0.00 C ATOM 700 OG SER A 49 7.305 -8.196 7.020 1.00 0.00 O ATOM 0 H SER A 49 6.956 -4.432 5.269 1.00 0.00 H new ATOM 0 HA SER A 49 6.758 -7.335 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.316 -6.424 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.775 -6.284 7.568 1.00 0.00 H new ATOM 0 HG SER A 49 7.748 -8.367 7.877 1.00 0.00 H new ATOM 706 N TRP A 50 4.322 -7.237 5.122 1.00 0.00 N ATOM 707 CA TRP A 50 2.872 -7.174 5.257 1.00 0.00 C ATOM 708 C TRP A 50 2.442 -7.573 6.665 1.00 0.00 C ATOM 709 O TRP A 50 2.678 -8.700 7.101 1.00 0.00 O ATOM 710 CB TRP A 50 2.204 -8.086 4.227 1.00 0.00 C ATOM 711 CG TRP A 50 2.055 -7.451 2.879 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.602 -7.883 1.705 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.311 -6.268 2.564 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.244 -7.041 0.679 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.451 -6.043 1.181 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.539 -5.378 3.316 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.849 -4.965 0.537 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.059 -4.308 2.675 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.099 -4.110 1.297 1.00 0.00 C ATOM 0 H TRP A 50 4.662 -8.046 4.603 1.00 0.00 H new ATOM 0 HA TRP A 50 2.557 -6.146 5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.790 -9.000 4.127 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.220 -8.377 4.594 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.225 -8.759 1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.523 -7.143 -0.297 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.412 -5.523 4.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.970 -4.810 -0.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.658 -3.614 3.246 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.381 -3.265 0.825 1.00 0.00 H new ATOM 730 N GLY A 51 1.810 -6.642 7.371 1.00 0.00 N ATOM 731 CA GLY A 51 1.359 -6.915 8.723 1.00 0.00 C ATOM 732 C GLY A 51 2.242 -6.272 9.777 1.00 0.00 C ATOM 733 O GLY A 51 2.106 -6.560 10.966 1.00 0.00 O ATOM 0 H GLY A 51 1.602 -5.703 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.338 -6.553 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.336 -7.993 8.883 1.00 0.00 H new ATOM 737 N GLY A 52 3.148 -5.399 9.344 1.00 0.00 N ATOM 738 CA GLY A 52 4.036 -4.730 10.275 1.00 0.00 C ATOM 739 C GLY A 52 3.520 -3.365 10.683 1.00 0.00 C ATOM 740 O GLY A 52 2.310 -3.143 10.735 1.00 0.00 O ATOM 0 H GLY A 52 3.282 -5.144 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.161 -5.349 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.021 -4.623 9.821 1.00 0.00 H new ATOM 744 N GLU A 53 4.436 -2.447 10.972 1.00 0.00 N ATOM 745 CA GLU A 53 4.060 -1.097 11.377 1.00 0.00 C ATOM 746 C GLU A 53 5.295 -0.239 11.634 1.00 0.00 C ATOM 747 O GLU A 53 6.377 -0.758 11.909 1.00 0.00 O ATOM 748 CB GLU A 53 3.184 -1.146 12.629 1.00 0.00 C ATOM 749 CG GLU A 53 3.729 -2.056 13.718 1.00 0.00 C ATOM 750 CD GLU A 53 2.677 -2.995 14.276 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.522 -2.554 14.454 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.008 -4.171 14.533 1.00 0.00 O ATOM 0 H GLU A 53 5.442 -2.612 10.934 1.00 0.00 H new ATOM 0 HA GLU A 53 3.493 -0.644 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.079 -0.137 13.029 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.186 -1.484 12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.556 -2.641 13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.132 -1.447 14.527 1.00 0.00 H new ATOM 759 N ASN A 54 5.124 1.076 11.540 1.00 0.00 N ATOM 760 CA ASN A 54 6.223 2.011 11.760 1.00 0.00 C ATOM 761 C ASN A 54 7.299 1.852 10.690 1.00 0.00 C ATOM 762 O ASN A 54 8.472 2.142 10.928 1.00 0.00 O ATOM 763 CB ASN A 54 6.832 1.804 13.147 1.00 0.00 C ATOM 764 CG ASN A 54 5.794 1.873 14.250 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.232 0.724 14.607 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.500 2.947 14.776 1.00 0.00 N flip ATOM 0 H ASN A 54 4.234 1.519 11.313 1.00 0.00 H new ATOM 0 HA ASN A 54 5.820 3.022 11.697 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.331 0.835 13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.596 2.562 13.322 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.957 3.806 14.471 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.800 2.977 15.517 1.00 0.00 H new ATOM 773 N PHE A 55 6.894 1.390 9.511 1.00 0.00 N ATOM 774 CA PHE A 55 7.824 1.195 8.406 1.00 0.00 C ATOM 775 C PHE A 55 8.482 2.516 8.013 1.00 0.00 C ATOM 776 O PHE A 55 9.687 2.573 7.765 1.00 0.00 O ATOM 777 CB PHE A 55 7.097 0.584 7.202 1.00 0.00 C ATOM 778 CG PHE A 55 6.269 1.571 6.426 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.989 1.900 6.840 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.775 2.167 5.282 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.228 2.807 6.126 1.00 0.00 C ATOM 782 CE2 PHE A 55 6.018 3.073 4.564 1.00 0.00 C ATOM 783 CZ PHE A 55 4.743 3.394 4.987 1.00 0.00 C ATOM 0 H PHE A 55 5.928 1.144 9.297 1.00 0.00 H new ATOM 0 HA PHE A 55 8.605 0.507 8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.833 0.137 6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.452 -0.222 7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.581 1.443 7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.772 1.921 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.231 3.056 6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.423 3.530 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.150 4.103 4.428 1.00 0.00 H new ATOM 793 N SER A 56 7.680 3.575 7.958 1.00 0.00 N ATOM 794 CA SER A 56 8.178 4.896 7.595 1.00 0.00 C ATOM 795 C SER A 56 9.110 5.445 8.672 1.00 0.00 C ATOM 796 O SER A 56 9.979 6.270 8.391 1.00 0.00 O ATOM 797 CB SER A 56 7.012 5.861 7.374 1.00 0.00 C ATOM 798 OG SER A 56 7.470 7.116 6.901 1.00 0.00 O ATOM 0 H SER A 56 6.681 3.543 8.161 1.00 0.00 H new ATOM 0 HA SER A 56 8.743 4.799 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.312 5.432 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.467 5.998 8.308 1.00 0.00 H new ATOM 0 HG SER A 56 6.730 7.593 6.470 1.00 0.00 H new ATOM 804 N GLY A 57 8.924 4.982 9.906 1.00 0.00 N ATOM 805 CA GLY A 57 9.758 5.439 11.005 1.00 0.00 C ATOM 806 C GLY A 57 11.238 5.345 10.690 1.00 0.00 C ATOM 807 O GLY A 57 12.046 6.096 11.237 1.00 0.00 O ATOM 0 H GLY A 57 8.211 4.299 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.506 6.472 11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.541 4.845 11.893 1.00 0.00 H new ATOM 811 N SER A 58 11.593 4.423 9.801 1.00 0.00 N ATOM 812 CA SER A 58 12.984 4.234 9.407 1.00 0.00 C ATOM 813 C SER A 58 13.128 4.279 7.889 1.00 0.00 C ATOM 814 O SER A 58 14.042 3.678 7.324 1.00 0.00 O ATOM 815 CB SER A 58 13.511 2.901 9.941 1.00 0.00 C ATOM 816 OG SER A 58 12.879 2.555 11.162 1.00 0.00 O ATOM 0 H SER A 58 10.936 3.794 9.339 1.00 0.00 H new ATOM 0 HA SER A 58 13.571 5.046 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.339 2.117 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.589 2.966 10.091 1.00 0.00 H new ATOM 0 HG SER A 58 13.232 1.698 11.482 1.00 0.00 H new ATOM 822 N ALA A 59 12.220 4.997 7.233 1.00 0.00 N ATOM 823 CA ALA A 59 12.247 5.120 5.781 1.00 0.00 C ATOM 824 C ALA A 59 12.212 6.584 5.355 1.00 0.00 C ATOM 825 O ALA A 59 11.807 7.456 6.124 1.00 0.00 O ATOM 826 CB ALA A 59 11.083 4.357 5.165 1.00 0.00 C ATOM 0 H ALA A 59 11.457 5.502 7.685 1.00 0.00 H new ATOM 0 HA ALA A 59 13.180 4.687 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.116 4.457 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.156 3.303 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.143 4.763 5.539 1.00 0.00 H new ATOM 832 N SER A 60 12.641 6.847 4.125 1.00 0.00 N ATOM 833 CA SER A 60 12.661 8.206 3.597 1.00 0.00 C ATOM 834 C SER A 60 11.977 8.274 2.236 1.00 0.00 C ATOM 835 O SER A 60 11.932 7.286 1.504 1.00 0.00 O ATOM 836 CB SER A 60 14.102 8.704 3.478 1.00 0.00 C ATOM 837 OG SER A 60 14.848 7.898 2.583 1.00 0.00 O ATOM 0 H SER A 60 12.979 6.137 3.475 1.00 0.00 H new ATOM 0 HA SER A 60 12.114 8.846 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.105 9.737 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.575 8.696 4.460 1.00 0.00 H new ATOM 0 HG SER A 60 15.765 8.238 2.523 1.00 0.00 H new ATOM 843 N ASN A 61 11.448 9.453 1.906 1.00 0.00 N ATOM 844 CA ASN A 61 10.762 9.676 0.630 1.00 0.00 C ATOM 845 C ASN A 61 9.915 8.470 0.225 1.00 0.00 C ATOM 846 O ASN A 61 10.197 7.806 -0.773 1.00 0.00 O ATOM 847 CB ASN A 61 11.769 10.007 -0.480 1.00 0.00 C ATOM 848 CG ASN A 61 13.131 9.373 -0.258 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.241 8.085 -0.560 1.00 0.00 O flip ATOM 850 ND2 ASN A 61 14.072 10.035 0.180 1.00 0.00 N flip ATOM 0 H ASN A 61 11.482 10.275 2.509 1.00 0.00 H new ATOM 0 HA ASN A 61 10.094 10.526 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.370 9.670 -1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.885 11.089 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.942 11.023 0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.981 9.596 0.324 1.00 0.00 H new ATOM 857 N ILE A 62 8.877 8.193 1.007 1.00 0.00 N ATOM 858 CA ILE A 62 7.989 7.071 0.731 1.00 0.00 C ATOM 859 C ILE A 62 6.793 7.512 -0.106 1.00 0.00 C ATOM 860 O ILE A 62 5.962 8.299 0.349 1.00 0.00 O ATOM 861 CB ILE A 62 7.479 6.421 2.033 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.611 6.308 3.057 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.883 5.053 1.743 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.160 5.767 4.396 1.00 0.00 C ATOM 0 H ILE A 62 8.630 8.731 1.838 1.00 0.00 H new ATOM 0 HA ILE A 62 8.571 6.337 0.173 1.00 0.00 H new ATOM 0 HB ILE A 62 6.699 7.056 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.390 5.660 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.058 7.291 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.527 4.607 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.049 5.159 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.644 4.411 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.013 5.714 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.402 6.427 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.740 4.770 4.263 1.00 0.00 H new ATOM 876 N THR A 63 6.711 7.003 -1.332 1.00 0.00 N ATOM 877 CA THR A 63 5.615 7.348 -2.232 1.00 0.00 C ATOM 878 C THR A 63 5.144 6.127 -3.016 1.00 0.00 C ATOM 879 O THR A 63 5.883 5.156 -3.176 1.00 0.00 O ATOM 880 CB THR A 63 6.051 8.451 -3.198 1.00 0.00 C ATOM 881 OG1 THR A 63 7.445 8.384 -3.440 1.00 0.00 O ATOM 882 CG2 THR A 63 5.739 9.844 -2.696 1.00 0.00 C ATOM 0 H THR A 63 7.390 6.351 -1.725 1.00 0.00 H new ATOM 0 HA THR A 63 4.783 7.709 -1.627 1.00 0.00 H new ATOM 0 HB THR A 63 5.483 8.276 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.704 9.096 -4.061 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.074 10.578 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.664 9.945 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.254 10.014 -1.750 1.00 0.00 H new ATOM 890 N LEU A 64 3.908 6.185 -3.503 1.00 0.00 N ATOM 891 CA LEU A 64 3.335 5.085 -4.271 1.00 0.00 C ATOM 892 C LEU A 64 3.288 5.425 -5.758 1.00 0.00 C ATOM 893 O LEU A 64 2.779 6.476 -6.149 1.00 0.00 O ATOM 894 CB LEU A 64 1.928 4.763 -3.764 1.00 0.00 C ATOM 895 CG LEU A 64 1.222 3.617 -4.492 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.557 2.282 -3.841 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.282 3.845 -4.509 1.00 0.00 C ATOM 0 H LEU A 64 3.284 6.982 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 64 3.972 4.210 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.988 4.517 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.314 5.660 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 64 1.577 3.592 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.046 1.479 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.634 2.117 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.232 2.293 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.769 3.021 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.654 3.897 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.502 4.781 -5.023 1.00 0.00 H new ATOM 909 N ASP A 65 3.822 4.529 -6.582 1.00 0.00 N ATOM 910 CA ASP A 65 3.842 4.734 -8.027 1.00 0.00 C ATOM 911 C ASP A 65 3.272 3.522 -8.758 1.00 0.00 C ATOM 912 O ASP A 65 3.313 2.402 -8.250 1.00 0.00 O ATOM 913 CB ASP A 65 5.270 5.010 -8.504 1.00 0.00 C ATOM 914 CG ASP A 65 5.542 6.490 -8.687 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.912 7.153 -7.696 1.00 0.00 O ATOM 916 OD2 ASP A 65 5.385 6.986 -9.823 1.00 0.00 O ATOM 0 H ASP A 65 4.247 3.654 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 65 3.217 5.598 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.977 4.600 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.441 4.492 -9.448 1.00 0.00 H new ATOM 921 N ILE A 66 2.742 3.755 -9.955 1.00 0.00 N ATOM 922 CA ILE A 66 2.166 2.688 -10.760 1.00 0.00 C ATOM 923 C ILE A 66 3.248 1.980 -11.573 1.00 0.00 C ATOM 924 O ILE A 66 4.207 2.604 -12.026 1.00 0.00 O ATOM 925 CB ILE A 66 1.074 3.239 -11.706 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.240 3.429 -10.943 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.868 2.320 -12.904 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.928 2.130 -10.581 1.00 0.00 C ATOM 0 H ILE A 66 2.701 4.677 -10.388 1.00 0.00 H new ATOM 0 HA ILE A 66 1.709 1.969 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 66 1.407 4.207 -12.081 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.042 3.991 -10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.917 4.032 -11.548 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.094 2.734 -13.551 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.801 2.235 -13.462 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.562 1.333 -12.557 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.851 2.345 -10.043 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.159 1.575 -11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.270 1.534 -9.949 1.00 0.00 H new ATOM 940 N GLU A 67 3.085 0.673 -11.753 1.00 0.00 N ATOM 941 CA GLU A 67 4.045 -0.120 -12.511 1.00 0.00 C ATOM 942 C GLU A 67 3.363 -1.310 -13.177 1.00 0.00 C ATOM 943 O GLU A 67 2.565 -2.010 -12.553 1.00 0.00 O ATOM 944 CB GLU A 67 5.170 -0.608 -11.596 1.00 0.00 C ATOM 945 CG GLU A 67 6.475 -0.878 -12.328 1.00 0.00 C ATOM 946 CD GLU A 67 6.774 -2.359 -12.461 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.425 -2.916 -11.552 1.00 0.00 O ATOM 948 OE2 GLU A 67 6.359 -2.960 -13.474 1.00 0.00 O ATOM 0 H GLU A 67 2.297 0.141 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 67 4.468 0.515 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.346 0.137 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.849 -1.521 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.430 -0.430 -13.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.293 -0.392 -11.796 1.00 0.00 H new ATOM 955 N GLY A 68 3.684 -1.535 -14.447 1.00 0.00 N ATOM 956 CA GLY A 68 3.094 -2.643 -15.175 1.00 0.00 C ATOM 957 C GLY A 68 1.956 -2.206 -16.076 1.00 0.00 C ATOM 958 O GLY A 68 1.410 -1.115 -15.913 1.00 0.00 O ATOM 0 H GLY A 68 4.342 -0.970 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.863 -3.129 -15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.727 -3.385 -14.466 1.00 0.00 H new ATOM 962 N ASP A 69 1.597 -3.061 -17.028 1.00 0.00 N ATOM 963 CA ASP A 69 0.516 -2.759 -17.960 1.00 0.00 C ATOM 964 C ASP A 69 -0.849 -2.871 -17.282 1.00 0.00 C ATOM 965 O ASP A 69 -1.864 -2.465 -17.847 1.00 0.00 O ATOM 966 CB ASP A 69 0.577 -3.701 -19.163 1.00 0.00 C ATOM 967 CG ASP A 69 -0.290 -3.227 -20.313 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.526 -2.004 -20.413 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.733 -4.077 -21.112 1.00 0.00 O ATOM 0 H ASP A 69 2.039 -3.969 -17.175 1.00 0.00 H new ATOM 0 HA ASP A 69 0.645 -1.731 -18.299 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.610 -3.787 -19.502 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.258 -4.697 -18.857 1.00 0.00 H new ATOM 974 N ASP A 70 -0.871 -3.423 -16.071 1.00 0.00 N ATOM 975 CA ASP A 70 -2.116 -3.584 -15.329 1.00 0.00 C ATOM 976 C ASP A 70 -2.331 -2.434 -14.345 1.00 0.00 C ATOM 977 O ASP A 70 -3.402 -2.309 -13.753 1.00 0.00 O ATOM 978 CB ASP A 70 -2.115 -4.920 -14.580 1.00 0.00 C ATOM 979 CG ASP A 70 -3.035 -5.941 -15.220 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.182 -5.579 -15.556 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.607 -7.102 -15.387 1.00 0.00 O ATOM 0 H ASP A 70 -0.042 -3.765 -15.585 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.937 -3.573 -16.046 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.100 -5.317 -14.551 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.422 -4.755 -13.547 1.00 0.00 H new ATOM 986 N ASN A 71 -1.309 -1.598 -14.171 1.00 0.00 N ATOM 987 CA ASN A 71 -1.395 -0.466 -13.255 1.00 0.00 C ATOM 988 C ASN A 71 -1.515 -0.947 -11.818 1.00 0.00 C ATOM 989 O ASN A 71 -2.602 -0.952 -11.239 1.00 0.00 O ATOM 990 CB ASN A 71 -2.587 0.425 -13.610 1.00 0.00 C ATOM 991 CG ASN A 71 -2.585 0.838 -15.069 1.00 0.00 C ATOM 992 OD1 ASN A 71 -1.873 1.762 -15.464 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.385 0.154 -15.878 1.00 0.00 N ATOM 0 H ASN A 71 -0.414 -1.684 -14.652 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.480 0.118 -13.353 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.513 -0.105 -13.386 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.571 1.316 -12.983 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.427 0.387 -16.870 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.958 -0.604 -15.507 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.389 -1.355 -11.249 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.362 -1.845 -9.879 1.00 0.00 C ATOM 1002 C ILE A 72 0.353 -0.856 -8.957 1.00 0.00 C ATOM 1003 O ILE A 72 1.539 -0.582 -9.134 1.00 0.00 O ATOM 1004 CB ILE A 72 0.338 -3.215 -9.782 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.124 -4.029 -11.061 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.178 -3.978 -8.575 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.324 -4.388 -11.315 1.00 0.00 C ATOM 0 H ILE A 72 0.518 -1.356 -11.716 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.399 -1.954 -9.562 1.00 0.00 H new ATOM 0 HB ILE A 72 1.409 -3.048 -9.664 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.503 -3.461 -11.911 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.712 -4.945 -11.001 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.322 -4.945 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.026 -3.407 -7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.253 -4.131 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.400 -4.964 -12.237 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.703 -4.983 -10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.914 -3.476 -11.407 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.359 -0.305 -7.954 1.00 0.00 N ATOM 1020 CA PRO A 73 0.225 0.654 -7.009 1.00 0.00 C ATOM 1021 C PRO A 73 1.404 0.062 -6.244 1.00 0.00 C ATOM 1022 O PRO A 73 1.223 -0.713 -5.305 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.929 0.977 -6.050 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.912 -0.128 -6.232 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.777 -0.569 -7.659 1.00 0.00 C ATOM 0 HA PRO A 73 0.623 1.532 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.581 1.028 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.376 1.943 -6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.705 -0.951 -5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.926 0.213 -6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.025 -1.623 -7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.438 -0.008 -8.319 1.00 0.00 H new ATOM 1033 N VAL A 74 2.614 0.432 -6.654 1.00 0.00 N ATOM 1034 CA VAL A 74 3.824 -0.064 -6.010 1.00 0.00 C ATOM 1035 C VAL A 74 4.472 1.012 -5.144 1.00 0.00 C ATOM 1036 O VAL A 74 4.924 2.040 -5.648 1.00 0.00 O ATOM 1037 CB VAL A 74 4.849 -0.559 -7.047 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.012 -1.257 -6.358 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.185 -1.483 -8.055 1.00 0.00 C ATOM 0 H VAL A 74 2.782 1.073 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 74 3.524 -0.900 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 74 5.241 0.305 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.726 -1.600 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.504 -0.560 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.640 -2.112 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.925 -1.823 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.763 -2.344 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.390 -0.946 -8.573 1.00 0.00 H new ATOM 1049 N LEU A 75 4.517 0.764 -3.839 1.00 0.00 N ATOM 1050 CA LEU A 75 5.114 1.706 -2.899 1.00 0.00 C ATOM 1051 C LEU A 75 6.623 1.508 -2.823 1.00 0.00 C ATOM 1052 O LEU A 75 7.100 0.453 -2.406 1.00 0.00 O ATOM 1053 CB LEU A 75 4.491 1.536 -1.512 1.00 0.00 C ATOM 1054 CG LEU A 75 5.084 2.424 -0.416 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.859 3.894 -0.739 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.481 2.072 0.936 1.00 0.00 C ATOM 0 H LEU A 75 4.146 -0.083 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 75 4.916 2.717 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.423 1.740 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.597 0.494 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 75 6.158 2.246 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.287 4.510 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.339 4.136 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.789 4.091 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.913 2.712 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.402 2.222 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.696 1.029 1.170 1.00 0.00 H new ATOM 1068 N ARG A 76 7.370 2.528 -3.233 1.00 0.00 N ATOM 1069 CA ARG A 76 8.828 2.464 -3.217 1.00 0.00 C ATOM 1070 C ARG A 76 9.414 3.514 -2.279 1.00 0.00 C ATOM 1071 O ARG A 76 9.033 4.683 -2.322 1.00 0.00 O ATOM 1072 CB ARG A 76 9.381 2.664 -4.629 1.00 0.00 C ATOM 1073 CG ARG A 76 9.522 1.372 -5.417 1.00 0.00 C ATOM 1074 CD ARG A 76 9.681 1.642 -6.905 1.00 0.00 C ATOM 1075 NE ARG A 76 8.416 1.509 -7.624 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.326 1.359 -8.943 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.423 1.323 -9.690 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.137 1.245 -9.518 1.00 0.00 N ATOM 0 H ARG A 76 6.990 3.409 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 76 9.117 1.478 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.725 3.342 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.356 3.148 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.385 0.815 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.645 0.746 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.077 2.647 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.410 0.948 -7.323 1.00 0.00 H new ATOM 0 HE ARG A 76 7.551 1.533 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.341 1.411 -9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.348 1.208 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.291 1.272 -8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.068 1.130 -10.529 1.00 0.00 H new ATOM 1092 N ALA A 77 10.346 3.087 -1.432 1.00 0.00 N ATOM 1093 CA ALA A 77 10.988 3.990 -0.484 1.00 0.00 C ATOM 1094 C ALA A 77 12.235 3.355 0.123 1.00 0.00 C ATOM 1095 O ALA A 77 12.322 2.134 0.250 1.00 0.00 O ATOM 1096 CB ALA A 77 10.010 4.387 0.611 1.00 0.00 C ATOM 0 H ALA A 77 10.673 2.122 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 77 11.295 4.885 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.502 5.061 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.151 4.890 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.675 3.495 1.140 1.00 0.00 H new ATOM 1102 N GLU A 78 13.195 4.192 0.502 1.00 0.00 N ATOM 1103 CA GLU A 78 14.434 3.712 1.102 1.00 0.00 C ATOM 1104 C GLU A 78 14.203 3.296 2.551 1.00 0.00 C ATOM 1105 O GLU A 78 13.810 4.111 3.384 1.00 0.00 O ATOM 1106 CB GLU A 78 15.514 4.794 1.035 1.00 0.00 C ATOM 1107 CG GLU A 78 15.658 5.427 -0.340 1.00 0.00 C ATOM 1108 CD GLU A 78 16.734 4.765 -1.179 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.538 3.993 -0.615 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.773 5.019 -2.402 1.00 0.00 O ATOM 0 H GLU A 78 13.139 5.206 0.404 1.00 0.00 H new ATOM 0 HA GLU A 78 14.771 2.842 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.282 5.573 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.470 4.360 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.705 5.366 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.892 6.485 -0.226 1.00 0.00 H new ATOM 1117 N LEU A 79 14.445 2.023 2.844 1.00 0.00 N ATOM 1118 CA LEU A 79 14.256 1.501 4.193 1.00 0.00 C ATOM 1119 C LEU A 79 15.594 1.257 4.883 1.00 0.00 C ATOM 1120 O LEU A 79 16.588 0.928 4.235 1.00 0.00 O ATOM 1121 CB LEU A 79 13.452 0.200 4.149 1.00 0.00 C ATOM 1122 CG LEU A 79 11.936 0.376 4.057 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.266 -0.949 3.722 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.385 0.941 5.357 1.00 0.00 C ATOM 0 H LEU A 79 14.772 1.334 2.167 1.00 0.00 H new ATOM 0 HA LEU A 79 13.705 2.247 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.786 -0.387 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.681 -0.381 5.043 1.00 0.00 H new ATOM 0 HG LEU A 79 11.718 1.083 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.187 -0.806 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.639 -1.314 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.491 -1.678 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.305 1.060 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.613 0.258 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.842 1.910 5.555 1.00 0.00 H new ATOM 1136 N ASN A 80 15.607 1.412 6.203 1.00 0.00 N ATOM 1137 CA ASN A 80 16.817 1.202 6.989 1.00 0.00 C ATOM 1138 C ASN A 80 16.869 -0.230 7.522 1.00 0.00 C ATOM 1139 O ASN A 80 16.134 -0.580 8.445 1.00 0.00 O ATOM 1140 CB ASN A 80 16.871 2.192 8.153 1.00 0.00 C ATOM 1141 CG ASN A 80 17.515 3.508 7.766 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.661 3.781 8.124 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.779 4.333 7.030 1.00 0.00 N ATOM 0 H ASN A 80 14.791 1.683 6.752 1.00 0.00 H new ATOM 0 HA ASN A 80 17.679 1.366 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.860 2.378 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.427 1.748 8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.159 5.234 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.834 4.066 6.756 1.00 0.00 H new ATOM 1150 N PRO A 81 17.736 -1.082 6.946 1.00 0.00 N ATOM 1151 CA PRO A 81 17.867 -2.477 7.374 1.00 0.00 C ATOM 1152 C PRO A 81 18.616 -2.614 8.694 1.00 0.00 C ATOM 1153 O PRO A 81 19.236 -1.663 9.170 1.00 0.00 O ATOM 1154 CB PRO A 81 18.668 -3.115 6.240 1.00 0.00 C ATOM 1155 CG PRO A 81 19.491 -2.001 5.694 1.00 0.00 C ATOM 1156 CD PRO A 81 18.654 -0.758 5.836 1.00 0.00 C ATOM 0 HA PRO A 81 16.897 -2.943 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.294 -3.929 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.012 -3.535 5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.429 -1.904 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.748 -2.181 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.267 0.114 6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.110 -0.534 4.918 1.00 0.00 H new ATOM 1164 N MET A 82 18.557 -3.805 9.277 1.00 0.00 N ATOM 1165 CA MET A 82 19.232 -4.073 10.541 1.00 0.00 C ATOM 1166 C MET A 82 20.732 -4.256 10.329 1.00 0.00 C ATOM 1167 O MET A 82 21.526 -4.065 11.250 1.00 0.00 O ATOM 1168 CB MET A 82 18.643 -5.320 11.203 1.00 0.00 C ATOM 1169 CG MET A 82 18.578 -6.526 10.280 1.00 0.00 C ATOM 1170 SD MET A 82 18.837 -8.082 11.152 1.00 0.00 S ATOM 1171 CE MET A 82 17.173 -8.440 11.709 1.00 0.00 C ATOM 0 H MET A 82 18.048 -4.602 8.894 1.00 0.00 H new ATOM 0 HA MET A 82 19.078 -3.215 11.196 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.242 -5.574 12.077 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.639 -5.092 11.560 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.607 -6.548 9.786 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.331 -6.422 9.499 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.170 -9.376 12.267 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.823 -7.633 12.353 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.512 -8.529 10.847 1.00 0.00 H new ATOM 1181 N ASP A 83 21.115 -4.626 9.109 1.00 0.00 N ATOM 1182 CA ASP A 83 22.520 -4.833 8.779 1.00 0.00 C ATOM 1183 C ASP A 83 23.246 -3.499 8.639 1.00 0.00 C ATOM 1184 O ASP A 83 24.426 -3.385 8.971 1.00 0.00 O ATOM 1185 CB ASP A 83 22.648 -5.636 7.483 1.00 0.00 C ATOM 1186 CG ASP A 83 21.761 -6.865 7.474 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.987 -7.767 8.308 1.00 0.00 O ATOM 1188 OD2 ASP A 83 20.840 -6.926 6.632 1.00 0.00 O ATOM 0 H ASP A 83 20.472 -4.788 8.334 1.00 0.00 H new ATOM 0 HA ASP A 83 22.981 -5.394 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 83 22.390 -4.999 6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.686 -5.940 7.348 1.00 0.00 H new ATOM 1193 N GLY A 84 22.532 -2.492 8.146 1.00 0.00 N ATOM 1194 CA GLY A 84 23.124 -1.179 7.970 1.00 0.00 C ATOM 1195 C GLY A 84 22.993 -0.669 6.549 1.00 0.00 C ATOM 1196 O GLY A 84 22.805 -1.450 5.617 1.00 0.00 O ATOM 0 H GLY A 84 21.554 -2.562 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.646 -0.474 8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.179 -1.220 8.242 1.00 0.00 H new ATOM 1200 N ASP A 85 23.093 0.647 6.383 1.00 0.00 N ATOM 1201 CA ASP A 85 22.985 1.263 5.065 1.00 0.00 C ATOM 1202 C ASP A 85 21.593 1.044 4.474 1.00 0.00 C ATOM 1203 O ASP A 85 21.277 -0.049 4.003 1.00 0.00 O ATOM 1204 CB ASP A 85 24.050 0.694 4.123 1.00 0.00 C ATOM 1205 CG ASP A 85 24.923 1.776 3.517 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.478 2.942 3.473 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.051 1.457 3.086 1.00 0.00 O ATOM 0 H ASP A 85 23.249 1.307 7.145 1.00 0.00 H new ATOM 0 HA ASP A 85 23.147 2.335 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.676 -0.010 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.563 0.134 3.325 1.00 0.00 H new ATOM 1212 N PRO A 86 20.737 2.083 4.489 1.00 0.00 N ATOM 1213 CA PRO A 86 19.376 1.991 3.951 1.00 0.00 C ATOM 1214 C PRO A 86 19.346 1.404 2.544 1.00 0.00 C ATOM 1215 O PRO A 86 20.285 1.582 1.767 1.00 0.00 O ATOM 1216 CB PRO A 86 18.902 3.445 3.935 1.00 0.00 C ATOM 1217 CG PRO A 86 19.688 4.109 5.011 1.00 0.00 C ATOM 1218 CD PRO A 86 21.027 3.425 5.031 1.00 0.00 C ATOM 0 HA PRO A 86 18.746 1.330 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.084 3.911 2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.831 3.515 4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 86 19.798 5.175 4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.187 4.014 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.758 3.955 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.435 3.371 6.040 1.00 0.00 H new ATOM 1226 N VAL A 87 18.263 0.704 2.222 1.00 0.00 N ATOM 1227 CA VAL A 87 18.113 0.092 0.908 1.00 0.00 C ATOM 1228 C VAL A 87 16.758 0.432 0.296 1.00 0.00 C ATOM 1229 O VAL A 87 15.769 0.605 1.009 1.00 0.00 O ATOM 1230 CB VAL A 87 18.267 -1.441 0.982 1.00 0.00 C ATOM 1231 CG1 VAL A 87 17.205 -2.045 1.888 1.00 0.00 C ATOM 1232 CG2 VAL A 87 18.205 -2.054 -0.410 1.00 0.00 C ATOM 0 H VAL A 87 17.477 0.547 2.853 1.00 0.00 H new ATOM 0 HA VAL A 87 18.903 0.497 0.276 1.00 0.00 H new ATOM 0 HB VAL A 87 19.244 -1.667 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 87 17.332 -3.127 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.306 -1.632 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.216 -1.809 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.316 -3.136 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.245 -1.818 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.010 -1.648 -1.023 1.00 0.00 H new ATOM 1242 N GLU A 88 16.720 0.528 -1.029 1.00 0.00 N ATOM 1243 CA GLU A 88 15.486 0.847 -1.736 1.00 0.00 C ATOM 1244 C GLU A 88 14.487 -0.301 -1.634 1.00 0.00 C ATOM 1245 O GLU A 88 14.714 -1.384 -2.173 1.00 0.00 O ATOM 1246 CB GLU A 88 15.781 1.156 -3.206 1.00 0.00 C ATOM 1247 CG GLU A 88 15.137 2.443 -3.697 1.00 0.00 C ATOM 1248 CD GLU A 88 15.019 2.495 -5.208 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.004 2.888 -5.867 1.00 0.00 O ATOM 1250 OE2 GLU A 88 13.941 2.143 -5.732 1.00 0.00 O ATOM 0 H GLU A 88 17.529 0.389 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 88 15.046 1.728 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.860 1.223 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.431 0.327 -3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.145 2.541 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.725 3.294 -3.352 1.00 0.00 H new ATOM 1257 N ALA A 89 13.381 -0.055 -0.942 1.00 0.00 N ATOM 1258 CA ALA A 89 12.347 -1.068 -0.770 1.00 0.00 C ATOM 1259 C ALA A 89 11.135 -0.764 -1.645 1.00 0.00 C ATOM 1260 O ALA A 89 10.738 0.392 -1.791 1.00 0.00 O ATOM 1261 CB ALA A 89 11.936 -1.160 0.691 1.00 0.00 C ATOM 0 H ALA A 89 13.177 0.837 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 89 12.757 -2.029 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.163 -1.920 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.802 -1.429 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.548 -0.196 1.021 1.00 0.00 H new ATOM 1267 N ASN A 90 10.553 -1.808 -2.224 1.00 0.00 N ATOM 1268 CA ASN A 90 9.386 -1.650 -3.084 1.00 0.00 C ATOM 1269 C ASN A 90 8.346 -2.729 -2.797 1.00 0.00 C ATOM 1270 O ASN A 90 8.653 -3.921 -2.820 1.00 0.00 O ATOM 1271 CB ASN A 90 9.802 -1.691 -4.560 1.00 0.00 C ATOM 1272 CG ASN A 90 10.102 -3.096 -5.051 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.417 -3.618 -5.930 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.130 -3.716 -4.484 1.00 0.00 N ATOM 0 H ASN A 90 10.869 -2.771 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 90 8.937 -0.680 -2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.006 -1.261 -5.168 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.684 -1.066 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.378 -4.662 -4.774 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.672 -3.246 -3.758 1.00 0.00 H new ATOM 1281 N VAL A 91 7.116 -2.305 -2.528 1.00 0.00 N ATOM 1282 CA VAL A 91 6.037 -3.240 -2.239 1.00 0.00 C ATOM 1283 C VAL A 91 4.751 -2.838 -2.953 1.00 0.00 C ATOM 1284 O VAL A 91 4.374 -1.666 -2.962 1.00 0.00 O ATOM 1285 CB VAL A 91 5.762 -3.339 -0.725 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.246 -2.014 -0.181 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.779 -4.462 -0.434 1.00 0.00 C ATOM 0 H VAL A 91 6.843 -1.323 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 91 6.362 -4.214 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 91 6.701 -3.567 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.059 -2.108 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.990 -1.236 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.319 -1.748 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.597 -4.517 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.840 -4.267 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.195 -5.408 -0.780 1.00 0.00 H new ATOM 1297 N ASN A 92 4.080 -3.818 -3.545 1.00 0.00 N ATOM 1298 CA ASN A 92 2.834 -3.572 -4.257 1.00 0.00 C ATOM 1299 C ASN A 92 1.641 -3.774 -3.325 1.00 0.00 C ATOM 1300 O ASN A 92 1.314 -4.902 -2.959 1.00 0.00 O ATOM 1301 CB ASN A 92 2.741 -4.499 -5.477 1.00 0.00 C ATOM 1302 CG ASN A 92 1.314 -4.794 -5.900 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.429 -3.946 -5.781 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.085 -6.004 -6.397 1.00 0.00 N ATOM 0 H ASN A 92 4.380 -4.793 -3.546 1.00 0.00 H new ATOM 0 HA ASN A 92 2.818 -2.539 -4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.273 -4.043 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.247 -5.438 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.145 -6.262 -6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.849 -6.675 -6.477 1.00 0.00 H new ATOM 1311 N LEU A 93 0.996 -2.675 -2.944 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.160 -2.734 -2.053 1.00 0.00 C ATOM 1313 C LEU A 93 -1.166 -3.779 -2.528 1.00 0.00 C ATOM 1314 O LEU A 93 -1.763 -4.494 -1.725 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.835 -1.363 -1.967 1.00 0.00 C ATOM 1316 CG LEU A 93 0.065 -0.226 -1.478 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.733 1.060 -1.333 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.723 -0.598 -0.158 1.00 0.00 C ATOM 0 H LEU A 93 1.254 -1.733 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 93 0.193 -3.022 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.220 -1.102 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.693 -1.439 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 93 0.848 -0.063 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.077 1.858 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.158 1.335 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.537 0.910 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.359 0.222 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.046 -0.788 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.328 -1.495 -0.293 1.00 0.00 H new ATOM 1330 N SER A 94 -1.338 -3.868 -3.843 1.00 0.00 N ATOM 1331 CA SER A 94 -2.262 -4.829 -4.436 1.00 0.00 C ATOM 1332 C SER A 94 -1.883 -6.266 -4.074 1.00 0.00 C ATOM 1333 O SER A 94 -2.664 -7.192 -4.278 1.00 0.00 O ATOM 1334 CB SER A 94 -2.293 -4.666 -5.956 1.00 0.00 C ATOM 1335 OG SER A 94 -2.063 -3.319 -6.329 1.00 0.00 O ATOM 0 H SER A 94 -0.848 -3.284 -4.521 1.00 0.00 H new ATOM 0 HA SER A 94 -3.254 -4.628 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.536 -5.306 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.259 -4.993 -6.340 1.00 0.00 H new ATOM 0 HG SER A 94 -1.122 -3.093 -6.175 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.677 -6.450 -3.547 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.207 -7.777 -3.171 1.00 0.00 C ATOM 1343 C GLU A 95 -1.086 -8.387 -2.083 1.00 0.00 C ATOM 1344 O GLU A 95 -1.461 -9.557 -2.161 1.00 0.00 O ATOM 1345 CB GLU A 95 1.240 -7.712 -2.683 1.00 0.00 C ATOM 1346 CG GLU A 95 2.256 -7.567 -3.805 1.00 0.00 C ATOM 1347 CD GLU A 95 3.317 -8.650 -3.777 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.004 -9.798 -4.157 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.461 -8.350 -3.375 1.00 0.00 O ATOM 0 H GLU A 95 -0.010 -5.699 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.262 -8.410 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.346 -6.871 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.464 -8.616 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.739 -7.596 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.736 -6.591 -3.731 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.401 -7.595 -1.062 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.224 -8.073 0.045 1.00 0.00 C ATOM 1358 C ARG A 96 -3.215 -7.008 0.507 1.00 0.00 C ATOM 1359 O ARG A 96 -3.475 -6.872 1.703 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.334 -8.492 1.217 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.410 -9.656 0.897 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.960 -10.969 1.429 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.533 -11.224 2.803 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.939 -12.265 3.525 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.786 -13.149 3.011 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.499 -12.423 4.766 1.00 0.00 N ATOM 0 H ARG A 96 -1.101 -6.624 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.792 -8.933 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.733 -7.638 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.966 -8.763 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.275 -9.728 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.573 -9.471 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.049 -10.950 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.629 -11.787 0.789 1.00 0.00 H new ATOM 0 HE ARG A 96 0.115 -10.565 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.129 -13.032 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.094 -13.945 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.151 -11.746 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.810 -13.221 5.320 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.775 -6.262 -0.439 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.744 -5.224 -0.107 1.00 0.00 C ATOM 1382 C ILE A 97 -6.041 -5.441 -0.877 1.00 0.00 C ATOM 1383 O ILE A 97 -6.055 -5.398 -2.103 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.183 -3.820 -0.420 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.995 -3.512 0.495 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.263 -2.756 -0.267 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.376 -3.354 1.952 1.00 0.00 C ATOM 0 H ILE A 97 -3.577 -6.355 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.946 -5.287 0.962 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.843 -3.809 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.261 -4.313 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.512 -2.597 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.843 -1.776 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.082 -2.967 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.638 -2.763 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.484 -3.137 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.087 -2.534 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.832 -4.277 2.311 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.128 -5.669 -0.152 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.408 -5.893 -0.796 1.00 0.00 C ATOM 1401 C GLY A 98 -9.441 -4.842 -0.442 1.00 0.00 C ATOM 1402 O GLY A 98 -9.148 -3.891 0.283 1.00 0.00 O ATOM 0 H GLY A 98 -7.147 -5.703 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.267 -5.907 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.785 -6.875 -0.511 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.655 -5.019 -0.954 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.743 -4.084 -0.690 1.00 0.00 C ATOM 1408 C ASN A 99 -13.025 -4.833 -0.341 1.00 0.00 C ATOM 1409 O ASN A 99 -13.706 -5.361 -1.221 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.977 -3.185 -1.905 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.206 -3.979 -3.177 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.367 -4.784 -3.579 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.347 -3.753 -3.818 1.00 0.00 N ATOM 0 H ASN A 99 -10.910 -5.803 -1.555 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.461 -3.464 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.840 -2.545 -1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.117 -2.529 -2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.556 -4.256 -4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.014 -3.076 -3.448 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.348 -4.879 0.948 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.547 -5.567 1.412 1.00 0.00 C ATOM 1422 C ASP A 100 -15.729 -4.607 1.498 1.00 0.00 C ATOM 1423 O ASP A 100 -15.710 -3.651 2.274 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.295 -6.208 2.778 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.420 -7.133 3.199 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.383 -6.648 3.831 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.339 -8.342 2.898 1.00 0.00 O ATOM 0 H ASP A 100 -12.796 -4.448 1.689 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.789 -6.347 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.360 -6.768 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.173 -5.425 3.527 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.758 -4.868 0.697 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.951 -4.028 0.681 1.00 0.00 C ATOM 1434 C CYS A 101 -17.589 -2.566 0.440 1.00 0.00 C ATOM 1435 O CYS A 101 -18.261 -1.660 0.933 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.713 -4.165 2.001 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.360 -3.419 1.984 1.00 0.00 S ATOM 0 H CYS A 101 -16.789 -5.656 0.050 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.588 -4.363 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.808 -5.223 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.126 -3.706 2.796 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.322 -2.298 1.327 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.521 -2.345 -0.319 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.087 -0.991 -0.610 1.00 0.00 C ATOM 1445 C GLY A 102 -15.058 -0.482 0.382 1.00 0.00 C ATOM 1446 O GLY A 102 -14.382 0.514 0.126 1.00 0.00 O ATOM 0 H GLY A 102 -15.949 -3.078 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.666 -0.957 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.951 -0.327 -0.604 1.00 0.00 H new ATOM 1450 N THR A 103 -14.939 -1.164 1.518 1.00 0.00 N ATOM 1451 CA THR A 103 -13.985 -0.771 2.549 1.00 0.00 C ATOM 1452 C THR A 103 -12.615 -1.385 2.283 1.00 0.00 C ATOM 1453 O THR A 103 -12.512 -2.532 1.850 1.00 0.00 O ATOM 1454 CB THR A 103 -14.489 -1.197 3.928 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.810 -0.733 4.145 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.631 -0.684 5.064 1.00 0.00 C ATOM 0 H THR A 103 -15.491 -1.991 1.747 1.00 0.00 H new ATOM 0 HA THR A 103 -13.888 0.314 2.525 1.00 0.00 H new ATOM 0 HB THR A 103 -14.448 -2.286 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.115 -1.017 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.045 -1.023 6.014 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.616 -1.065 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.614 0.406 5.044 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.566 -0.614 2.546 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.201 -1.081 2.336 1.00 0.00 C ATOM 1466 C LEU A 104 -9.809 -2.104 3.398 1.00 0.00 C ATOM 1467 O LEU A 104 -9.884 -1.829 4.596 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.228 0.102 2.357 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.536 0.398 1.025 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.576 -0.724 0.663 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.564 0.600 -0.078 1.00 0.00 C ATOM 0 H LEU A 104 -11.635 0.338 2.905 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.150 -1.564 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.771 0.993 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.464 -0.089 3.111 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.963 1.319 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.093 -0.497 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.819 -0.820 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.127 -1.660 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.053 0.809 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.165 -0.303 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.212 1.439 0.177 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.395 -3.284 2.951 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.995 -4.348 3.863 1.00 0.00 C ATOM 1485 C ILE A 105 -7.607 -4.879 3.519 1.00 0.00 C ATOM 1486 O ILE A 105 -7.006 -4.475 2.523 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.999 -5.517 3.839 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.112 -6.094 2.427 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.359 -5.055 4.340 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.205 -7.604 2.398 1.00 0.00 C ATOM 0 H ILE A 105 -9.328 -3.528 1.963 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.977 -3.914 4.863 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.636 -6.302 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.993 -5.674 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.246 -5.780 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.058 -5.891 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.265 -4.688 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.730 -4.255 3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.283 -7.944 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.313 -8.032 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.087 -7.925 2.953 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.106 -5.784 4.351 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.791 -6.373 4.143 1.00 0.00 C ATOM 1504 C PHE A 106 -5.874 -7.898 4.182 1.00 0.00 C ATOM 1505 O PHE A 106 -6.580 -8.470 5.012 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.811 -5.857 5.204 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.652 -6.777 5.465 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.760 -7.795 6.396 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.459 -6.624 4.778 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.699 -8.646 6.640 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.394 -7.471 5.016 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.514 -8.483 5.948 1.00 0.00 C ATOM 0 H PHE A 106 -7.594 -6.126 5.179 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.426 -6.079 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.427 -4.887 4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.352 -5.698 6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.685 -7.926 6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.360 -5.834 4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.796 -9.436 7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.469 -7.342 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.683 -9.146 6.136 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.150 -8.548 3.277 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.145 -10.005 3.207 1.00 0.00 C ATOM 1524 C LEU A 107 -4.469 -10.605 4.435 1.00 0.00 C ATOM 1525 O LEU A 107 -3.250 -10.527 4.586 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.425 -10.469 1.940 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.301 -10.563 0.691 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.001 -9.237 0.429 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.467 -10.977 -0.513 1.00 0.00 C ATOM 0 H LEU A 107 -4.560 -8.090 2.583 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.179 -10.348 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.603 -9.783 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.984 -11.448 2.130 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.063 -11.324 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.620 -9.323 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.629 -8.982 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.256 -8.455 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.106 -11.039 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.684 -10.239 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.013 -11.950 -0.324 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.270 -11.203 5.310 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.751 -11.817 6.526 1.00 0.00 C ATOM 1543 C ALA A 108 -5.189 -13.273 6.636 1.00 0.00 C ATOM 1544 O ALA A 108 -5.844 -13.766 5.693 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.208 -11.032 7.747 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.873 -13.910 7.663 1.00 0.00 O ATOM 0 H ALA A 108 -6.281 -11.275 5.200 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.662 -11.796 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.814 -11.500 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.841 -10.008 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.297 -11.025 7.788 1.00 0.00 H new