USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 923 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: B 21 ASN :FLIP amide:sc= -0.442 F(o=-6.2,f=-4.3) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.85! C(o=-4.3!,f=-12!) USER MOD Set 2.1: B 3 ASN : amide:sc= -0.0579 K(o=-0.058,f=-2.8!) USER MOD Set 2.2: B 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -2.05! C(o=-17!,f=-3.6!) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -1.56 X(o=-3.6!,f=-3.6) USER MOD Set 4.1: B 23 ASN : amide:sc= -7.7! C(o=-7.8!,f=-16!) USER MOD Set 4.2: B 24 SER OG : rot 180:sc= -0.114 USER MOD Set 5.1: A 21 ASN : amide:sc= -1.32 K(o=-8.8,f=-10) USER MOD Set 5.2: A 52 ASN : amide:sc= -7.43! C(o=-8.8!,f=-17!) USER MOD Set 6.1: A 26 GLN :FLIP amide:sc= -0.288 F(o=-5.8,f=-2.1) USER MOD Set 6.2: A 55 GLN :FLIP amide:sc= -1.76 F(o=-5.6!,f=-2.1) USER MOD Set 7.1: A 13 THR OG1 : rot 107:sc= -2.05 USER MOD Set 7.2: B 17 MET CE :methyl -119:sc= -11.8! (180deg=-11.9!) USER MOD Single : A 1 VAL N :NH3+ 165:sc= -0.235 (180deg=-0.659) USER MOD Single : A 3 ASN : amide:sc= -0.906 K(o=-0.91,f=-3.3!) USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= -0.0205 (180deg=-0.519) USER MOD Single : A 6 ASN : amide:sc= -3.06 K(o=-3.1,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= -1.45 (180deg=-5.01!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.601 F(o=-1.4,f=-0.6) USER MOD Single : A 23 ASN : amide:sc= -0.825 K(o=-0.82,f=-7.6!) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= -1.02 (180deg=-1.09) USER MOD Single : A 33 SER OG : rot 76:sc= 0.802 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.6!) USER MOD Single : A 41 SER OG : rot -93:sc= 0.712 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= -0.827 (180deg=-0.874) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= -1.01 (180deg=-1.06) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= -3.23! (180deg=-3.51!) USER MOD Single : B 1 VAL N :NH3+ -166:sc= -0.675 (180deg=-1.03) USER MOD Single : B 4 LYS NZ :NH3+ -143:sc= 0.18 (180deg=-1.72!) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.272 F(o=-6.5!,f=-0.27) USER MOD Single : B 7 LYS NZ :NH3+ -119:sc= 1.17 (180deg=-0.437) USER MOD Single : B 32 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : B 41 SER OG : rot 170:sc= -1.31 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0585 F(o=-0.75,f=-0.058) USER MOD Single : B 49 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0648) USER MOD Single : B 50 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.992) USER MOD Single : B 58 LYS NZ :NH3+ -179:sc= 2.43 (180deg=2.42) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.120 -17.417 3.819 1.00 0.00 N ATOM 2 CA VAL A 1 10.207 -16.000 4.277 1.00 0.00 C ATOM 3 C VAL A 1 8.919 -15.625 5.010 1.00 0.00 C ATOM 4 O VAL A 1 7.818 -15.904 4.533 1.00 0.00 O ATOM 5 CB VAL A 1 10.428 -15.065 3.071 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.924 -14.994 2.740 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.660 -15.582 1.842 1.00 0.00 C ATOM 0 H1 VAL A 1 10.862 -17.600 3.114 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.249 -18.053 4.632 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.187 -17.587 3.391 1.00 0.00 H new ATOM 0 HA VAL A 1 11.052 -15.890 4.957 1.00 0.00 H new ATOM 0 HB VAL A 1 10.059 -14.072 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.077 -14.333 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.469 -14.608 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 1 12.290 -15.991 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.827 -14.911 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.014 -16.581 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.595 -15.622 2.069 1.00 0.00 H new ATOM 19 N ASP A 2 9.076 -14.991 6.173 1.00 0.00 N ATOM 20 CA ASP A 2 7.934 -14.569 6.987 1.00 0.00 C ATOM 21 C ASP A 2 7.075 -13.545 6.242 1.00 0.00 C ATOM 22 O ASP A 2 5.848 -13.555 6.352 1.00 0.00 O ATOM 23 CB ASP A 2 8.439 -13.958 8.302 1.00 0.00 C ATOM 24 CG ASP A 2 9.264 -12.695 8.025 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.345 -12.824 7.472 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.801 -11.619 8.363 1.00 0.00 O ATOM 0 H ASP A 2 9.985 -14.758 6.573 1.00 0.00 H new ATOM 0 HA ASP A 2 7.319 -15.444 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.593 -13.713 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.047 -14.686 8.839 1.00 0.00 H new ATOM 31 N ASN A 3 7.742 -12.661 5.493 1.00 0.00 N ATOM 32 CA ASN A 3 7.065 -11.610 4.725 1.00 0.00 C ATOM 33 C ASN A 3 6.188 -10.740 5.630 1.00 0.00 C ATOM 34 O ASN A 3 5.258 -10.081 5.158 1.00 0.00 O ATOM 35 CB ASN A 3 6.213 -12.231 3.603 1.00 0.00 C ATOM 36 CG ASN A 3 7.081 -13.107 2.705 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.742 -14.260 2.447 1.00 0.00 O ATOM 38 ND2 ASN A 3 8.187 -12.625 2.208 1.00 0.00 N ATOM 0 H ASN A 3 8.758 -12.653 5.402 1.00 0.00 H new ATOM 0 HA ASN A 3 7.831 -10.974 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.408 -12.826 4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.746 -11.443 3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.771 -13.205 1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.468 -11.668 2.422 1.00 0.00 H new ATOM 45 N LYS A 4 6.500 -10.728 6.929 1.00 0.00 N ATOM 46 CA LYS A 4 5.746 -9.921 7.884 1.00 0.00 C ATOM 47 C LYS A 4 5.881 -8.447 7.514 1.00 0.00 C ATOM 48 O LYS A 4 4.904 -7.703 7.515 1.00 0.00 O ATOM 49 CB LYS A 4 6.278 -10.161 9.295 1.00 0.00 C ATOM 50 CG LYS A 4 5.312 -9.576 10.328 1.00 0.00 C ATOM 51 CD LYS A 4 5.849 -9.876 11.728 1.00 0.00 C ATOM 52 CE LYS A 4 7.077 -9.004 12.016 1.00 0.00 C ATOM 53 NZ LYS A 4 8.316 -9.820 11.859 1.00 0.00 N ATOM 0 H LYS A 4 7.265 -11.265 7.338 1.00 0.00 H new ATOM 0 HA LYS A 4 4.694 -10.204 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.404 -11.230 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.261 -9.703 9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.212 -8.500 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.319 -10.008 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.075 -9.686 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.115 -10.930 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.100 -8.154 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.020 -8.601 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.076 -9.226 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.607 -10.191 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.130 -10.613 11.212 1.00 0.00 H new ATOM 67 N PHE A 5 7.109 -8.052 7.172 1.00 0.00 N ATOM 68 CA PHE A 5 7.398 -6.688 6.769 1.00 0.00 C ATOM 69 C PHE A 5 6.575 -6.330 5.532 1.00 0.00 C ATOM 70 O PHE A 5 6.067 -5.225 5.435 1.00 0.00 O ATOM 71 CB PHE A 5 8.905 -6.518 6.504 1.00 0.00 C ATOM 72 CG PHE A 5 9.279 -7.066 5.141 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.390 -8.449 4.942 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.509 -6.185 4.076 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.731 -8.949 3.680 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.850 -6.686 2.815 1.00 0.00 C ATOM 77 CZ PHE A 5 9.961 -8.068 2.617 1.00 0.00 C ATOM 0 H PHE A 5 7.921 -8.669 7.169 1.00 0.00 H new ATOM 0 HA PHE A 5 7.122 -6.007 7.574 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.172 -5.463 6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.475 -7.034 7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.212 -9.129 5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.423 -5.119 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.817 -10.015 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.028 -6.007 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.224 -8.454 1.643 1.00 0.00 H new ATOM 87 N ASN A 6 6.429 -7.289 4.601 1.00 0.00 N ATOM 88 CA ASN A 6 5.634 -7.067 3.397 1.00 0.00 C ATOM 89 C ASN A 6 4.183 -6.857 3.787 1.00 0.00 C ATOM 90 O ASN A 6 3.507 -5.970 3.273 1.00 0.00 O ATOM 91 CB ASN A 6 5.721 -8.288 2.483 1.00 0.00 C ATOM 92 CG ASN A 6 5.046 -8.011 1.143 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.054 -6.883 0.671 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.442 -8.982 0.518 1.00 0.00 N ATOM 0 H ASN A 6 6.850 -8.216 4.665 1.00 0.00 H new ATOM 0 HA ASN A 6 6.017 -6.190 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.766 -8.553 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.246 -9.143 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.973 -8.803 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.439 -9.921 0.917 1.00 0.00 H new ATOM 101 N LYS A 7 3.727 -7.687 4.721 1.00 0.00 N ATOM 102 CA LYS A 7 2.369 -7.611 5.215 1.00 0.00 C ATOM 103 C LYS A 7 2.175 -6.251 5.843 1.00 0.00 C ATOM 104 O LYS A 7 1.176 -5.588 5.625 1.00 0.00 O ATOM 105 CB LYS A 7 2.155 -8.710 6.269 1.00 0.00 C ATOM 106 CG LYS A 7 0.665 -9.011 6.464 1.00 0.00 C ATOM 107 CD LYS A 7 0.119 -9.710 5.215 1.00 0.00 C ATOM 108 CE LYS A 7 -1.033 -10.645 5.591 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.146 -9.863 6.205 1.00 0.00 N ATOM 0 H LYS A 7 4.289 -8.423 5.149 1.00 0.00 H new ATOM 0 HA LYS A 7 1.654 -7.753 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.675 -9.618 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.592 -8.398 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.522 -9.644 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.117 -8.087 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.226 -8.967 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.914 -10.277 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.391 -11.169 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.682 -11.404 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.480 -10.349 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.805 -8.913 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.929 -9.782 5.526 1.00 0.00 H new ATOM 123 N GLU A 8 3.172 -5.848 6.615 1.00 0.00 N ATOM 124 CA GLU A 8 3.140 -4.563 7.285 1.00 0.00 C ATOM 125 C GLU A 8 3.308 -3.420 6.290 1.00 0.00 C ATOM 126 O GLU A 8 2.638 -2.399 6.387 1.00 0.00 O ATOM 127 CB GLU A 8 4.238 -4.516 8.344 1.00 0.00 C ATOM 128 CG GLU A 8 3.904 -5.478 9.492 1.00 0.00 C ATOM 129 CD GLU A 8 5.103 -5.604 10.432 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.094 -6.191 10.022 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.017 -5.113 11.546 1.00 0.00 O ATOM 0 H GLU A 8 4.014 -6.396 6.792 1.00 0.00 H new ATOM 0 HA GLU A 8 2.169 -4.442 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.195 -4.787 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.341 -3.501 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.036 -5.114 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.640 -6.457 9.092 1.00 0.00 H new ATOM 138 N LEU A 9 4.179 -3.632 5.317 1.00 0.00 N ATOM 139 CA LEU A 9 4.421 -2.655 4.253 1.00 0.00 C ATOM 140 C LEU A 9 3.116 -2.431 3.522 1.00 0.00 C ATOM 141 O LEU A 9 2.743 -1.302 3.215 1.00 0.00 O ATOM 142 CB LEU A 9 5.499 -3.204 3.302 1.00 0.00 C ATOM 143 CG LEU A 9 5.638 -2.308 2.061 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.422 -1.034 2.362 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.373 -3.065 0.976 1.00 0.00 C ATOM 0 H LEU A 9 4.739 -4.481 5.237 1.00 0.00 H new ATOM 0 HA LEU A 9 4.775 -1.707 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.455 -3.262 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.240 -4.218 2.997 1.00 0.00 H new ATOM 0 HG LEU A 9 4.632 -2.033 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.496 -0.430 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.908 -0.465 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.422 -1.295 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.473 -2.432 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.363 -3.346 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.813 -3.963 0.716 1.00 0.00 H new ATOM 157 N GLY A 10 2.404 -3.521 3.291 1.00 0.00 N ATOM 158 CA GLY A 10 1.133 -3.451 2.647 1.00 0.00 C ATOM 159 C GLY A 10 0.099 -2.912 3.604 1.00 0.00 C ATOM 160 O GLY A 10 -0.783 -2.151 3.225 1.00 0.00 O ATOM 0 H GLY A 10 2.699 -4.463 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.196 -2.810 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.837 -4.441 2.299 1.00 0.00 H new ATOM 164 N TRP A 11 0.181 -3.335 4.857 1.00 0.00 N ATOM 165 CA TRP A 11 -0.802 -2.890 5.805 1.00 0.00 C ATOM 166 C TRP A 11 -0.690 -1.435 6.142 1.00 0.00 C ATOM 167 O TRP A 11 -1.683 -0.708 6.083 1.00 0.00 O ATOM 168 CB TRP A 11 -0.843 -3.724 7.068 1.00 0.00 C ATOM 169 CG TRP A 11 -2.287 -3.822 7.489 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.700 -3.850 8.762 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.516 -3.864 6.658 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.080 -3.946 8.784 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.626 -3.943 7.519 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.777 -3.851 5.260 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.934 -3.999 7.028 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.073 -3.901 4.766 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.160 -3.974 5.646 1.00 0.00 C ATOM 0 H TRP A 11 0.896 -3.964 5.222 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.751 -3.034 5.288 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.426 -4.715 6.889 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.243 -3.263 7.853 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.060 -3.805 9.631 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.631 -4.012 9.640 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.949 -3.801 4.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.767 -4.061 7.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.244 -3.884 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.168 -4.011 5.261 1.00 0.00 H new ATOM 188 N ALA A 12 0.499 -1.004 6.494 1.00 0.00 N ATOM 189 CA ALA A 12 0.689 0.377 6.836 1.00 0.00 C ATOM 190 C ALA A 12 0.247 1.243 5.657 1.00 0.00 C ATOM 191 O ALA A 12 -0.387 2.273 5.841 1.00 0.00 O ATOM 192 CB ALA A 12 2.152 0.627 7.186 1.00 0.00 C ATOM 0 H ALA A 12 1.336 -1.584 6.549 1.00 0.00 H new ATOM 0 HA ALA A 12 0.088 0.636 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.290 1.677 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.435 0.004 8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.779 0.379 6.329 1.00 0.00 H new ATOM 198 N THR A 13 0.535 0.767 4.442 1.00 0.00 N ATOM 199 CA THR A 13 0.124 1.460 3.226 1.00 0.00 C ATOM 200 C THR A 13 -1.383 1.674 3.229 1.00 0.00 C ATOM 201 O THR A 13 -1.852 2.775 2.977 1.00 0.00 O ATOM 202 CB THR A 13 0.527 0.591 2.035 1.00 0.00 C ATOM 203 OG1 THR A 13 1.903 0.773 1.787 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.280 0.955 0.789 1.00 0.00 C ATOM 0 H THR A 13 1.052 -0.097 4.278 1.00 0.00 H new ATOM 0 HA THR A 13 0.605 2.436 3.165 1.00 0.00 H new ATOM 0 HB THR A 13 0.321 -0.453 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.395 -0.027 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.028 0.321 -0.042 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.341 0.805 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.103 2.000 0.533 1.00 0.00 H new ATOM 212 N TRP A 14 -2.116 0.609 3.535 1.00 0.00 N ATOM 213 CA TRP A 14 -3.578 0.647 3.585 1.00 0.00 C ATOM 214 C TRP A 14 -4.081 1.584 4.677 1.00 0.00 C ATOM 215 O TRP A 14 -4.999 2.372 4.464 1.00 0.00 O ATOM 216 CB TRP A 14 -4.066 -0.761 3.898 1.00 0.00 C ATOM 217 CG TRP A 14 -5.518 -0.925 3.575 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.505 -0.954 4.498 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.167 -1.109 2.280 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.708 -1.171 3.867 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.556 -1.272 2.506 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.709 -1.162 0.943 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.442 -1.484 1.463 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.608 -1.373 -0.095 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.960 -1.535 0.163 1.00 0.00 C ATOM 0 H TRP A 14 -1.717 -0.304 3.755 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.954 1.009 2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.482 -1.484 3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.901 -0.978 4.953 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.371 -0.827 5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.603 -1.247 4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.658 -1.038 0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.497 -1.608 1.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.250 -1.411 -1.113 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.645 -1.702 -0.655 1.00 0.00 H new ATOM 236 N GLU A 15 -3.478 1.462 5.853 1.00 0.00 N ATOM 237 CA GLU A 15 -3.867 2.265 7.005 1.00 0.00 C ATOM 238 C GLU A 15 -3.641 3.754 6.727 1.00 0.00 C ATOM 239 O GLU A 15 -4.491 4.587 7.049 1.00 0.00 O ATOM 240 CB GLU A 15 -3.063 1.792 8.217 1.00 0.00 C ATOM 241 CG GLU A 15 -3.427 0.325 8.533 1.00 0.00 C ATOM 242 CD GLU A 15 -2.455 -0.247 9.563 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.678 -0.037 10.744 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.497 -0.884 9.154 1.00 0.00 O ATOM 0 H GLU A 15 -2.714 0.811 6.034 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.930 2.138 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.995 1.878 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.276 2.425 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.447 0.269 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.394 -0.271 7.621 1.00 0.00 H new ATOM 251 N ILE A 16 -2.514 4.069 6.086 1.00 0.00 N ATOM 252 CA ILE A 16 -2.194 5.453 5.712 1.00 0.00 C ATOM 253 C ILE A 16 -3.185 5.928 4.645 1.00 0.00 C ATOM 254 O ILE A 16 -3.662 7.062 4.662 1.00 0.00 O ATOM 255 CB ILE A 16 -0.754 5.506 5.148 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.252 5.136 6.249 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.430 6.908 4.611 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.677 5.028 5.676 1.00 0.00 C ATOM 0 H ILE A 16 -1.806 3.387 5.814 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.265 6.101 6.586 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.681 4.791 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.228 5.889 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.034 4.188 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.587 6.922 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.129 7.163 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.518 7.636 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.371 4.765 6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.702 4.258 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.968 5.985 5.242 1.00 0.00 H new ATOM 270 N PHE A 17 -3.471 5.016 3.724 1.00 0.00 N ATOM 271 CA PHE A 17 -4.392 5.245 2.611 1.00 0.00 C ATOM 272 C PHE A 17 -5.793 5.599 3.108 1.00 0.00 C ATOM 273 O PHE A 17 -6.470 6.460 2.544 1.00 0.00 O ATOM 274 CB PHE A 17 -4.474 3.934 1.838 1.00 0.00 C ATOM 275 CG PHE A 17 -4.802 4.135 0.388 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.134 4.160 -0.029 1.00 0.00 C ATOM 277 CD2 PHE A 17 -3.766 4.207 -0.547 1.00 0.00 C ATOM 278 CE1 PHE A 17 -6.436 4.259 -1.385 1.00 0.00 C ATOM 279 CE2 PHE A 17 -4.056 4.293 -1.900 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.388 4.316 -2.324 1.00 0.00 C ATOM 0 H PHE A 17 -3.064 4.081 3.727 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.032 6.073 2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.523 3.408 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.232 3.296 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.930 4.103 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.738 4.196 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.464 4.292 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.256 4.342 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.615 4.378 -3.378 1.00 0.00 H new ATOM 290 N ASN A 18 -6.225 4.872 4.137 1.00 0.00 N ATOM 291 CA ASN A 18 -7.561 5.030 4.706 1.00 0.00 C ATOM 292 C ASN A 18 -7.629 6.054 5.845 1.00 0.00 C ATOM 293 O ASN A 18 -8.676 6.177 6.487 1.00 0.00 O ATOM 294 CB ASN A 18 -8.066 3.663 5.186 1.00 0.00 C ATOM 295 CG ASN A 18 -8.287 2.743 3.982 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.485 1.737 3.780 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.213 2.953 3.201 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.660 4.159 4.598 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.202 5.422 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.343 3.217 5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.997 3.782 5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.843 3.740 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.351 2.340 2.398 1.00 0.00 H new ATOM 304 N LEU A 19 -6.545 6.802 6.102 1.00 0.00 N ATOM 305 CA LEU A 19 -6.589 7.797 7.176 1.00 0.00 C ATOM 306 C LEU A 19 -7.570 8.903 6.776 1.00 0.00 C ATOM 307 O LEU A 19 -7.623 9.288 5.604 1.00 0.00 O ATOM 308 CB LEU A 19 -5.212 8.409 7.437 1.00 0.00 C ATOM 309 CG LEU A 19 -4.496 7.685 8.594 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.093 8.231 8.705 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.195 7.935 9.932 1.00 0.00 C ATOM 0 H LEU A 19 -5.659 6.740 5.600 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.912 7.304 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.605 8.347 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.320 9.467 7.676 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.505 6.616 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.571 7.729 9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.560 8.057 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.134 9.302 8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.663 7.409 10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.200 9.004 10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.221 7.570 9.880 1.00 0.00 H new ATOM 323 N PRO A 20 -8.374 9.386 7.694 1.00 0.00 N ATOM 324 CA PRO A 20 -9.406 10.421 7.405 1.00 0.00 C ATOM 325 C PRO A 20 -8.906 11.865 7.248 1.00 0.00 C ATOM 326 O PRO A 20 -9.747 12.766 7.193 1.00 0.00 O ATOM 327 CB PRO A 20 -10.372 10.319 8.606 1.00 0.00 C ATOM 328 CG PRO A 20 -9.862 9.229 9.489 1.00 0.00 C ATOM 329 CD PRO A 20 -8.410 9.018 9.116 1.00 0.00 C ATOM 0 HA PRO A 20 -9.847 10.220 6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.415 11.264 9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.385 10.099 8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.957 9.504 10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.436 8.314 9.346 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.746 9.644 9.711 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.100 7.985 9.273 1.00 0.00 H new ATOM 337 N ASN A 21 -7.583 12.130 7.182 1.00 0.00 N ATOM 338 CA ASN A 21 -7.163 13.548 7.047 1.00 0.00 C ATOM 339 C ASN A 21 -5.879 13.745 6.242 1.00 0.00 C ATOM 340 O ASN A 21 -5.407 14.877 6.118 1.00 0.00 O ATOM 341 CB ASN A 21 -6.982 14.189 8.431 1.00 0.00 C ATOM 342 CG ASN A 21 -8.286 14.160 9.225 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.214 14.908 8.924 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.411 13.338 10.230 1.00 0.00 N ATOM 0 H ASN A 21 -6.833 11.440 7.216 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.966 14.034 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.205 13.659 8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.645 15.219 8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.279 13.316 10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.641 12.717 10.480 1.00 0.00 H new ATOM 351 N LEU A 22 -5.305 12.676 5.707 1.00 0.00 N ATOM 352 CA LEU A 22 -4.067 12.815 4.941 1.00 0.00 C ATOM 353 C LEU A 22 -4.293 13.366 3.546 1.00 0.00 C ATOM 354 O LEU A 22 -5.320 13.118 2.914 1.00 0.00 O ATOM 355 CB LEU A 22 -3.345 11.479 4.854 1.00 0.00 C ATOM 356 CG LEU A 22 -2.911 11.068 6.256 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.192 9.739 6.195 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.956 12.108 6.833 1.00 0.00 C ATOM 0 H LEU A 22 -5.663 11.724 5.784 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.451 13.537 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.001 10.722 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.478 11.560 4.198 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.796 10.989 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.882 9.446 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.861 8.982 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.314 9.830 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.651 11.806 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.076 12.188 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.457 13.075 6.882 1.00 0.00 H new ATOM 370 N ASN A 23 -3.289 14.108 3.079 1.00 0.00 N ATOM 371 CA ASN A 23 -3.313 14.703 1.762 1.00 0.00 C ATOM 372 C ASN A 23 -2.946 13.648 0.725 1.00 0.00 C ATOM 373 O ASN A 23 -2.183 12.727 1.020 1.00 0.00 O ATOM 374 CB ASN A 23 -2.313 15.862 1.728 1.00 0.00 C ATOM 375 CG ASN A 23 -2.112 16.340 0.304 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.122 15.987 -0.328 1.00 0.00 O ATOM 377 ND2 ASN A 23 -3.005 17.111 -0.239 1.00 0.00 N ATOM 0 H ASN A 23 -2.441 14.308 3.610 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.309 15.082 1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.676 16.683 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.360 15.542 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.887 17.429 -1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.824 17.398 0.296 1.00 0.00 H new ATOM 384 N GLY A 24 -3.490 13.786 -0.486 1.00 0.00 N ATOM 385 CA GLY A 24 -3.212 12.831 -1.557 1.00 0.00 C ATOM 386 C GLY A 24 -1.712 12.580 -1.685 1.00 0.00 C ATOM 387 O GLY A 24 -1.274 11.432 -1.763 1.00 0.00 O ATOM 0 H GLY A 24 -4.121 14.544 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.726 11.891 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.603 13.212 -2.500 1.00 0.00 H new ATOM 391 N VAL A 25 -0.933 13.660 -1.681 1.00 0.00 N ATOM 392 CA VAL A 25 0.520 13.548 -1.780 1.00 0.00 C ATOM 393 C VAL A 25 1.107 12.939 -0.515 1.00 0.00 C ATOM 394 O VAL A 25 2.000 12.103 -0.609 1.00 0.00 O ATOM 395 CB VAL A 25 1.153 14.913 -2.044 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.682 14.787 -2.011 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.713 15.406 -3.427 1.00 0.00 C ATOM 0 H VAL A 25 -1.281 14.616 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 25 0.745 12.889 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 25 0.834 15.620 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.132 15.762 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.996 14.426 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.006 14.084 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.160 16.380 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.039 14.696 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.373 15.493 -3.454 1.00 0.00 H new ATOM 407 N GLN A 26 0.619 13.346 0.667 1.00 0.00 N ATOM 408 CA GLN A 26 1.151 12.783 1.905 1.00 0.00 C ATOM 409 C GLN A 26 0.969 11.276 1.918 1.00 0.00 C ATOM 410 O GLN A 26 1.885 10.544 2.286 1.00 0.00 O ATOM 411 CB GLN A 26 0.480 13.415 3.126 1.00 0.00 C ATOM 412 CG GLN A 26 1.376 14.538 3.672 1.00 0.00 C ATOM 413 CD GLN A 26 0.518 15.619 4.305 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.190 15.321 5.344 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.488 16.755 3.834 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.119 14.040 0.786 1.00 0.00 H new ATOM 0 HA GLN A 26 2.217 13.007 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.497 13.814 2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.313 12.661 3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.071 14.135 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.975 14.962 2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.050 16.982 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.099 17.470 4.264 1.00 0.00 H new ATOM 424 N VAL A 27 -0.198 10.814 1.472 1.00 0.00 N ATOM 425 CA VAL A 27 -0.461 9.377 1.414 1.00 0.00 C ATOM 426 C VAL A 27 0.533 8.723 0.458 1.00 0.00 C ATOM 427 O VAL A 27 1.154 7.709 0.784 1.00 0.00 O ATOM 428 CB VAL A 27 -1.899 9.107 0.947 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.129 7.594 0.855 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.892 9.706 1.955 1.00 0.00 C ATOM 0 H VAL A 27 -0.966 11.403 1.150 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.343 8.953 2.411 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.051 9.564 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.149 7.401 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.428 7.162 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.974 7.142 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.911 9.513 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.738 9.249 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.732 10.782 2.028 1.00 0.00 H new ATOM 440 N LYS A 28 0.696 9.347 -0.708 1.00 0.00 N ATOM 441 CA LYS A 28 1.639 8.871 -1.714 1.00 0.00 C ATOM 442 C LYS A 28 3.063 8.913 -1.170 1.00 0.00 C ATOM 443 O LYS A 28 3.888 8.075 -1.519 1.00 0.00 O ATOM 444 CB LYS A 28 1.539 9.707 -3.002 1.00 0.00 C ATOM 445 CG LYS A 28 0.243 9.354 -3.750 1.00 0.00 C ATOM 446 CD LYS A 28 0.325 9.822 -5.212 1.00 0.00 C ATOM 447 CE LYS A 28 0.459 11.350 -5.287 1.00 0.00 C ATOM 448 NZ LYS A 28 -0.678 11.993 -4.567 1.00 0.00 N ATOM 0 H LYS A 28 0.184 10.187 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 28 1.383 7.839 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.552 10.770 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.402 9.515 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.077 8.277 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.608 9.824 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.178 9.353 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.567 9.503 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.405 11.663 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.471 11.672 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.573 13.027 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.574 11.718 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.680 11.683 -3.574 1.00 0.00 H new ATOM 462 N ALA A 29 3.337 9.909 -0.327 1.00 0.00 N ATOM 463 CA ALA A 29 4.655 10.081 0.263 1.00 0.00 C ATOM 464 C ALA A 29 4.939 8.989 1.255 1.00 0.00 C ATOM 465 O ALA A 29 6.029 8.423 1.269 1.00 0.00 O ATOM 466 CB ALA A 29 4.730 11.412 0.984 1.00 0.00 C ATOM 0 H ALA A 29 2.655 10.611 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 29 5.390 10.045 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.720 11.533 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.546 12.220 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.978 11.442 1.772 1.00 0.00 H new ATOM 472 N PHE A 30 3.942 8.685 2.075 1.00 0.00 N ATOM 473 CA PHE A 30 4.084 7.648 3.046 1.00 0.00 C ATOM 474 C PHE A 30 4.286 6.351 2.295 1.00 0.00 C ATOM 475 O PHE A 30 5.132 5.540 2.664 1.00 0.00 O ATOM 476 CB PHE A 30 2.857 7.592 3.948 1.00 0.00 C ATOM 477 CG PHE A 30 2.719 8.886 4.738 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.815 9.404 5.455 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.491 9.575 4.758 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.676 10.588 6.174 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.367 10.757 5.480 1.00 0.00 C ATOM 482 CZ PHE A 30 2.455 11.260 6.186 1.00 0.00 C ATOM 0 H PHE A 30 3.034 9.150 2.075 1.00 0.00 H new ATOM 0 HA PHE A 30 4.940 7.834 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.963 7.429 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.939 6.748 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.761 8.884 5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.645 9.185 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.516 10.987 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.425 11.285 5.493 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.353 12.177 6.747 1.00 0.00 H new ATOM 492 N ILE A 31 3.550 6.206 1.182 1.00 0.00 N ATOM 493 CA ILE A 31 3.711 5.041 0.336 1.00 0.00 C ATOM 494 C ILE A 31 5.122 5.038 -0.210 1.00 0.00 C ATOM 495 O ILE A 31 5.806 4.043 -0.134 1.00 0.00 O ATOM 496 CB ILE A 31 2.693 5.026 -0.834 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.336 4.489 -0.317 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.221 4.137 -1.995 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.270 4.531 -1.418 1.00 0.00 C ATOM 0 H ILE A 31 2.851 6.876 0.861 1.00 0.00 H new ATOM 0 HA ILE A 31 3.525 4.149 0.934 1.00 0.00 H new ATOM 0 HB ILE A 31 2.560 6.039 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.458 3.465 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.007 5.084 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.497 4.135 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.171 4.534 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.366 3.118 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.673 4.148 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.133 5.559 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.591 3.916 -2.259 1.00 0.00 H new ATOM 511 N ASP A 32 5.540 6.173 -0.747 1.00 0.00 N ATOM 512 CA ASP A 32 6.874 6.296 -1.324 1.00 0.00 C ATOM 513 C ASP A 32 7.947 5.942 -0.306 1.00 0.00 C ATOM 514 O ASP A 32 8.904 5.230 -0.615 1.00 0.00 O ATOM 515 CB ASP A 32 7.089 7.722 -1.845 1.00 0.00 C ATOM 516 CG ASP A 32 8.385 7.795 -2.650 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.343 7.491 -3.831 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.401 8.143 -2.070 1.00 0.00 O ATOM 0 H ASP A 32 4.978 7.023 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 32 6.953 5.594 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.247 8.021 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.131 8.421 -1.009 1.00 0.00 H new ATOM 523 N SER A 33 7.753 6.422 0.906 1.00 0.00 N ATOM 524 CA SER A 33 8.671 6.149 2.003 1.00 0.00 C ATOM 525 C SER A 33 8.622 4.662 2.353 1.00 0.00 C ATOM 526 O SER A 33 9.636 4.046 2.667 1.00 0.00 O ATOM 527 CB SER A 33 8.277 6.999 3.208 1.00 0.00 C ATOM 528 OG SER A 33 8.379 8.374 2.864 1.00 0.00 O ATOM 0 H SER A 33 6.960 7.010 1.162 1.00 0.00 H new ATOM 0 HA SER A 33 9.690 6.402 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.258 6.764 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.926 6.775 4.054 1.00 0.00 H new ATOM 0 HG SER A 33 7.621 8.626 2.296 1.00 0.00 H new ATOM 534 N LEU A 34 7.417 4.106 2.257 1.00 0.00 N ATOM 535 CA LEU A 34 7.161 2.686 2.510 1.00 0.00 C ATOM 536 C LEU A 34 7.952 1.829 1.521 1.00 0.00 C ATOM 537 O LEU A 34 8.699 0.940 1.914 1.00 0.00 O ATOM 538 CB LEU A 34 5.661 2.459 2.308 1.00 0.00 C ATOM 539 CG LEU A 34 4.924 2.330 3.635 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.661 3.192 3.631 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.529 0.880 3.817 1.00 0.00 C ATOM 0 H LEU A 34 6.581 4.631 1.999 1.00 0.00 H new ATOM 0 HA LEU A 34 7.467 2.410 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.241 3.288 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.506 1.556 1.717 1.00 0.00 H new ATOM 0 HG LEU A 34 5.573 2.663 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.147 3.088 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.934 4.236 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.001 2.867 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.999 0.763 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.880 0.574 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.424 0.257 3.823 1.00 0.00 H new ATOM 553 N ARG A 35 7.789 2.125 0.239 1.00 0.00 N ATOM 554 CA ARG A 35 8.510 1.387 -0.821 1.00 0.00 C ATOM 555 C ARG A 35 10.015 1.592 -0.658 1.00 0.00 C ATOM 556 O ARG A 35 10.797 0.642 -0.728 1.00 0.00 O ATOM 557 CB ARG A 35 8.103 1.862 -2.236 1.00 0.00 C ATOM 558 CG ARG A 35 6.894 2.795 -2.149 1.00 0.00 C ATOM 559 CD ARG A 35 6.275 3.135 -3.511 1.00 0.00 C ATOM 560 NE ARG A 35 7.049 2.587 -4.602 1.00 0.00 N ATOM 561 CZ ARG A 35 6.722 1.442 -5.175 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.127 0.517 -4.479 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.991 1.249 -6.429 1.00 0.00 N ATOM 0 H ARG A 35 7.172 2.862 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 35 8.247 0.334 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.938 2.379 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.865 1.002 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.134 2.332 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.195 3.719 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.258 2.746 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.208 4.217 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 35 7.867 3.096 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.914 0.677 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.873 -0.368 -4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.454 1.980 -6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.740 0.366 -6.874 1.00 0.00 H new ATOM 577 N ASP A 36 10.398 2.851 -0.427 1.00 0.00 N ATOM 578 CA ASP A 36 11.798 3.219 -0.235 1.00 0.00 C ATOM 579 C ASP A 36 12.359 2.527 0.999 1.00 0.00 C ATOM 580 O ASP A 36 13.531 2.147 1.040 1.00 0.00 O ATOM 581 CB ASP A 36 11.917 4.730 -0.075 1.00 0.00 C ATOM 582 CG ASP A 36 13.387 5.151 -0.064 1.00 0.00 C ATOM 583 OD1 ASP A 36 13.939 5.331 -1.136 1.00 0.00 O ATOM 584 OD2 ASP A 36 13.937 5.283 1.018 1.00 0.00 O ATOM 0 H ASP A 36 9.750 3.636 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 36 12.368 2.902 -1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.395 5.231 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.436 5.043 0.851 1.00 0.00 H new ATOM 589 N ASP A 37 11.496 2.372 1.997 1.00 0.00 N ATOM 590 CA ASP A 37 11.871 1.726 3.248 1.00 0.00 C ATOM 591 C ASP A 37 10.657 1.052 3.871 1.00 0.00 C ATOM 592 O ASP A 37 9.878 1.680 4.594 1.00 0.00 O ATOM 593 CB ASP A 37 12.480 2.742 4.229 1.00 0.00 C ATOM 594 CG ASP A 37 13.248 2.017 5.342 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.697 1.092 5.923 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.376 2.400 5.601 1.00 0.00 O ATOM 0 H ASP A 37 10.527 2.687 1.962 1.00 0.00 H new ATOM 0 HA ASP A 37 12.625 0.969 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.150 3.416 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.691 3.356 4.663 1.00 0.00 H new ATOM 601 N PRO A 38 10.481 -0.215 3.590 1.00 0.00 N ATOM 602 CA PRO A 38 9.336 -0.994 4.118 1.00 0.00 C ATOM 603 C PRO A 38 9.437 -1.264 5.611 1.00 0.00 C ATOM 604 O PRO A 38 8.423 -1.354 6.299 1.00 0.00 O ATOM 605 CB PRO A 38 9.351 -2.291 3.319 1.00 0.00 C ATOM 606 CG PRO A 38 10.486 -2.220 2.349 1.00 0.00 C ATOM 607 CD PRO A 38 11.357 -1.039 2.744 1.00 0.00 C ATOM 0 HA PRO A 38 8.403 -0.441 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.470 -3.147 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.406 -2.425 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.063 -3.144 2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.113 -2.097 1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.245 -1.363 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.701 -0.487 1.869 1.00 0.00 H new ATOM 615 N SER A 39 10.660 -1.368 6.111 1.00 0.00 N ATOM 616 CA SER A 39 10.870 -1.592 7.536 1.00 0.00 C ATOM 617 C SER A 39 10.320 -0.390 8.296 1.00 0.00 C ATOM 618 O SER A 39 9.856 -0.502 9.433 1.00 0.00 O ATOM 619 CB SER A 39 12.362 -1.764 7.835 1.00 0.00 C ATOM 620 OG SER A 39 12.900 -2.764 6.978 1.00 0.00 O ATOM 0 H SER A 39 11.515 -1.302 5.558 1.00 0.00 H new ATOM 0 HA SER A 39 10.355 -2.501 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.886 -0.820 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.506 -2.047 8.878 1.00 0.00 H new ATOM 0 HG SER A 39 13.855 -2.876 7.165 1.00 0.00 H new ATOM 626 N GLN A 40 10.386 0.761 7.627 1.00 0.00 N ATOM 627 CA GLN A 40 9.912 2.023 8.174 1.00 0.00 C ATOM 628 C GLN A 40 8.397 2.189 7.958 1.00 0.00 C ATOM 629 O GLN A 40 7.820 3.179 8.369 1.00 0.00 O ATOM 630 CB GLN A 40 10.670 3.167 7.477 1.00 0.00 C ATOM 631 CG GLN A 40 10.544 4.477 8.263 1.00 0.00 C ATOM 632 CD GLN A 40 11.337 5.576 7.562 1.00 0.00 C ATOM 633 OE1 GLN A 40 10.917 6.077 6.519 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.468 5.979 8.070 1.00 0.00 N ATOM 0 H GLN A 40 10.772 0.840 6.686 1.00 0.00 H new ATOM 0 HA GLN A 40 10.096 2.041 9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.722 2.901 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.278 3.305 6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.496 4.766 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.914 4.340 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.816 5.564 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.005 6.710 7.603 1.00 0.00 H new ATOM 643 N SER A 41 7.763 1.225 7.296 1.00 0.00 N ATOM 644 CA SER A 41 6.327 1.311 7.001 1.00 0.00 C ATOM 645 C SER A 41 5.490 1.650 8.237 1.00 0.00 C ATOM 646 O SER A 41 4.529 2.416 8.150 1.00 0.00 O ATOM 647 CB SER A 41 5.855 -0.040 6.465 1.00 0.00 C ATOM 648 OG SER A 41 5.986 -1.029 7.479 1.00 0.00 O ATOM 0 H SER A 41 8.214 0.377 6.953 1.00 0.00 H new ATOM 0 HA SER A 41 6.192 2.110 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.816 0.029 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.443 -0.321 5.591 1.00 0.00 H new ATOM 0 HG SER A 41 6.856 -1.473 7.393 1.00 0.00 H new ATOM 654 N ALA A 42 5.874 1.094 9.378 1.00 0.00 N ATOM 655 CA ALA A 42 5.174 1.347 10.630 1.00 0.00 C ATOM 656 C ALA A 42 5.340 2.798 11.033 1.00 0.00 C ATOM 657 O ALA A 42 4.427 3.434 11.558 1.00 0.00 O ATOM 658 CB ALA A 42 5.791 0.487 11.719 1.00 0.00 C ATOM 0 H ALA A 42 6.670 0.462 9.462 1.00 0.00 H new ATOM 0 HA ALA A 42 4.117 1.116 10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.275 0.668 12.662 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.696 -0.565 11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.846 0.740 11.829 1.00 0.00 H new ATOM 664 N ASN A 43 6.540 3.287 10.780 1.00 0.00 N ATOM 665 CA ASN A 43 6.912 4.644 11.095 1.00 0.00 C ATOM 666 C ASN A 43 6.172 5.632 10.210 1.00 0.00 C ATOM 667 O ASN A 43 5.817 6.725 10.628 1.00 0.00 O ATOM 668 CB ASN A 43 8.412 4.778 10.872 1.00 0.00 C ATOM 669 CG ASN A 43 9.173 4.494 12.164 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.091 5.268 13.118 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.912 3.423 12.252 1.00 0.00 N ATOM 0 H ASN A 43 7.287 2.744 10.346 1.00 0.00 H new ATOM 0 HA ASN A 43 6.650 4.865 12.130 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.733 4.085 10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.645 5.783 10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.423 3.225 13.112 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.979 2.783 11.461 1.00 0.00 H new ATOM 678 N LEU A 44 5.962 5.217 8.978 1.00 0.00 N ATOM 679 CA LEU A 44 5.281 6.017 7.978 1.00 0.00 C ATOM 680 C LEU A 44 3.831 6.055 8.299 1.00 0.00 C ATOM 681 O LEU A 44 3.181 7.088 8.220 1.00 0.00 O ATOM 682 CB LEU A 44 5.566 5.374 6.635 1.00 0.00 C ATOM 683 CG LEU A 44 7.086 5.361 6.513 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.548 4.419 5.424 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.541 6.779 6.266 1.00 0.00 C ATOM 0 H LEU A 44 6.263 4.304 8.638 1.00 0.00 H new ATOM 0 HA LEU A 44 5.627 7.050 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.158 4.364 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.110 5.940 5.823 1.00 0.00 H new ATOM 0 HG LEU A 44 7.533 4.988 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.636 4.436 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.212 3.407 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.129 4.734 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.627 6.802 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.091 7.150 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.234 7.410 7.100 1.00 0.00 H new ATOM 697 N LEU A 45 3.379 4.915 8.747 1.00 0.00 N ATOM 698 CA LEU A 45 2.020 4.765 9.210 1.00 0.00 C ATOM 699 C LEU A 45 1.849 5.682 10.410 1.00 0.00 C ATOM 700 O LEU A 45 0.823 6.333 10.587 1.00 0.00 O ATOM 701 CB LEU A 45 1.771 3.300 9.594 1.00 0.00 C ATOM 702 CG LEU A 45 0.504 3.167 10.446 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.704 3.730 9.689 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.282 1.689 10.767 1.00 0.00 C ATOM 0 H LEU A 45 3.938 4.064 8.803 1.00 0.00 H new ATOM 0 HA LEU A 45 1.301 5.032 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.673 2.695 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.628 2.914 10.146 1.00 0.00 H new ATOM 0 HG LEU A 45 0.621 3.732 11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.598 3.630 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.534 4.783 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.840 3.178 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.617 1.579 11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.165 1.129 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.140 1.303 11.317 1.00 0.00 H new ATOM 716 N ALA A 46 2.909 5.737 11.203 1.00 0.00 N ATOM 717 CA ALA A 46 2.948 6.579 12.380 1.00 0.00 C ATOM 718 C ALA A 46 2.903 8.031 11.969 1.00 0.00 C ATOM 719 O ALA A 46 2.137 8.826 12.505 1.00 0.00 O ATOM 720 CB ALA A 46 4.248 6.340 13.144 1.00 0.00 C ATOM 0 H ALA A 46 3.761 5.199 11.046 1.00 0.00 H new ATOM 0 HA ALA A 46 2.092 6.338 13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.272 6.976 14.029 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.305 5.295 13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.096 6.578 12.502 1.00 0.00 H new ATOM 726 N GLU A 47 3.725 8.342 10.981 1.00 0.00 N ATOM 727 CA GLU A 47 3.812 9.668 10.436 1.00 0.00 C ATOM 728 C GLU A 47 2.487 10.062 9.843 1.00 0.00 C ATOM 729 O GLU A 47 2.074 11.208 9.917 1.00 0.00 O ATOM 730 CB GLU A 47 4.853 9.668 9.327 1.00 0.00 C ATOM 731 CG GLU A 47 6.276 9.758 9.873 1.00 0.00 C ATOM 732 CD GLU A 47 6.408 10.885 10.904 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.117 12.020 10.558 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.796 10.594 12.025 1.00 0.00 O ATOM 0 H GLU A 47 4.351 7.670 10.538 1.00 0.00 H new ATOM 0 HA GLU A 47 4.085 10.369 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.750 8.759 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.669 10.508 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.552 8.809 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.972 9.930 9.052 1.00 0.00 H new ATOM 741 N ALA A 48 1.827 9.087 9.255 1.00 0.00 N ATOM 742 CA ALA A 48 0.552 9.309 8.646 1.00 0.00 C ATOM 743 C ALA A 48 -0.470 9.603 9.716 1.00 0.00 C ATOM 744 O ALA A 48 -1.201 10.579 9.628 1.00 0.00 O ATOM 745 CB ALA A 48 0.184 8.068 7.871 1.00 0.00 C ATOM 0 H ALA A 48 2.165 8.127 9.191 1.00 0.00 H new ATOM 0 HA ALA A 48 0.585 10.162 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.786 8.210 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.938 7.879 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.134 7.217 8.550 1.00 0.00 H new ATOM 751 N LYS A 49 -0.480 8.777 10.758 1.00 0.00 N ATOM 752 CA LYS A 49 -1.380 8.997 11.874 1.00 0.00 C ATOM 753 C LYS A 49 -1.088 10.365 12.466 1.00 0.00 C ATOM 754 O LYS A 49 -1.986 11.034 12.968 1.00 0.00 O ATOM 755 CB LYS A 49 -1.205 7.904 12.934 1.00 0.00 C ATOM 756 CG LYS A 49 -1.807 6.592 12.417 1.00 0.00 C ATOM 757 CD LYS A 49 -1.657 5.494 13.476 1.00 0.00 C ATOM 758 CE LYS A 49 -2.253 4.183 12.947 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.361 3.045 13.311 1.00 0.00 N ATOM 0 H LYS A 49 0.121 7.958 10.849 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.412 8.957 11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.148 7.767 13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.694 8.200 13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.860 6.735 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.308 6.291 11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.604 5.353 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.162 5.790 14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.247 4.028 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.369 4.235 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.721 2.170 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.399 3.232 12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.339 2.938 14.345 1.00 0.00 H new ATOM 773 N LYS A 50 0.182 10.781 12.371 1.00 0.00 N ATOM 774 CA LYS A 50 0.592 12.077 12.869 1.00 0.00 C ATOM 775 C LYS A 50 0.108 13.174 11.948 1.00 0.00 C ATOM 776 O LYS A 50 -0.371 14.213 12.400 1.00 0.00 O ATOM 777 CB LYS A 50 2.117 12.139 13.001 1.00 0.00 C ATOM 778 CG LYS A 50 2.569 11.332 14.220 1.00 0.00 C ATOM 779 CD LYS A 50 4.101 11.319 14.281 1.00 0.00 C ATOM 780 CE LYS A 50 4.575 10.112 15.095 1.00 0.00 C ATOM 781 NZ LYS A 50 5.326 9.183 14.204 1.00 0.00 N ATOM 0 H LYS A 50 0.933 10.232 11.953 1.00 0.00 H new ATOM 0 HA LYS A 50 0.147 12.224 13.853 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.585 11.744 12.099 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.440 13.175 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.161 11.769 15.131 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.188 10.313 14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.514 11.275 13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.464 12.241 14.735 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.211 10.440 15.917 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.721 9.599 15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.532 8.302 14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.752 8.969 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.218 9.629 13.910 1.00 0.00 H new ATOM 795 N LEU A 51 0.234 12.926 10.651 1.00 0.00 N ATOM 796 CA LEU A 51 -0.196 13.889 9.656 1.00 0.00 C ATOM 797 C LEU A 51 -1.709 13.977 9.655 1.00 0.00 C ATOM 798 O LEU A 51 -2.280 15.063 9.600 1.00 0.00 O ATOM 799 CB LEU A 51 0.318 13.505 8.260 1.00 0.00 C ATOM 800 CG LEU A 51 1.635 14.229 7.939 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.475 15.742 8.130 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.764 13.700 8.837 1.00 0.00 C ATOM 0 H LEU A 51 0.630 12.068 10.268 1.00 0.00 H new ATOM 0 HA LEU A 51 0.222 14.863 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.470 12.427 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.432 13.758 7.510 1.00 0.00 H new ATOM 0 HG LEU A 51 1.892 14.035 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.417 16.240 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.696 16.112 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.199 15.951 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.692 14.221 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.508 13.872 9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.894 12.631 8.667 1.00 0.00 H new ATOM 814 N ASN A 52 -2.343 12.813 9.741 1.00 0.00 N ATOM 815 CA ASN A 52 -3.787 12.731 9.782 1.00 0.00 C ATOM 816 C ASN A 52 -4.279 13.427 11.031 1.00 0.00 C ATOM 817 O ASN A 52 -5.215 14.218 10.985 1.00 0.00 O ATOM 818 CB ASN A 52 -4.223 11.267 9.803 1.00 0.00 C ATOM 819 CG ASN A 52 -5.674 11.133 10.246 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.577 11.487 9.503 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.948 10.637 11.418 1.00 0.00 N ATOM 0 H ASN A 52 -1.870 11.910 9.784 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.208 13.211 8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.101 10.834 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.580 10.702 10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.918 10.543 11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.192 10.342 12.036 1.00 0.00 H new ATOM 828 N ASP A 53 -3.617 13.125 12.146 1.00 0.00 N ATOM 829 CA ASP A 53 -3.976 13.733 13.414 1.00 0.00 C ATOM 830 C ASP A 53 -3.756 15.239 13.349 1.00 0.00 C ATOM 831 O ASP A 53 -4.576 16.021 13.833 1.00 0.00 O ATOM 832 CB ASP A 53 -3.163 13.128 14.558 1.00 0.00 C ATOM 833 CG ASP A 53 -3.553 13.778 15.887 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.541 13.354 16.464 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.861 14.693 16.303 1.00 0.00 O ATOM 0 H ASP A 53 -2.837 12.469 12.192 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.031 13.535 13.606 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.335 12.053 14.607 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.099 13.272 14.373 1.00 0.00 H new ATOM 840 N ALA A 54 -2.647 15.629 12.725 1.00 0.00 N ATOM 841 CA ALA A 54 -2.317 17.033 12.565 1.00 0.00 C ATOM 842 C ALA A 54 -3.363 17.702 11.679 1.00 0.00 C ATOM 843 O ALA A 54 -3.761 18.843 11.919 1.00 0.00 O ATOM 844 CB ALA A 54 -0.931 17.168 11.930 1.00 0.00 C ATOM 0 H ALA A 54 -1.964 14.987 12.323 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.309 17.519 13.541 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.686 18.224 11.811 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.189 16.694 12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.929 16.683 10.954 1.00 0.00 H new ATOM 850 N GLN A 55 -3.808 16.961 10.662 1.00 0.00 N ATOM 851 CA GLN A 55 -4.820 17.451 9.733 1.00 0.00 C ATOM 852 C GLN A 55 -6.230 17.146 10.251 1.00 0.00 C ATOM 853 O GLN A 55 -7.223 17.463 9.593 1.00 0.00 O ATOM 854 CB GLN A 55 -4.602 16.785 8.374 1.00 0.00 C ATOM 855 CG GLN A 55 -3.330 17.348 7.727 1.00 0.00 C ATOM 856 CD GLN A 55 -2.927 16.487 6.538 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.490 15.282 6.751 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.015 16.919 5.390 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.480 16.016 10.463 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.727 18.533 9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.514 15.705 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.461 16.963 7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.501 18.374 7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.522 17.375 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.358 17.865 5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.745 16.331 4.602 1.00 0.00 H new ATOM 867 N ALA A 56 -6.306 16.526 11.434 1.00 0.00 N ATOM 868 CA ALA A 56 -7.593 16.176 12.036 1.00 0.00 C ATOM 869 C ALA A 56 -8.276 17.408 12.613 1.00 0.00 C ATOM 870 O ALA A 56 -7.648 18.454 12.790 1.00 0.00 O ATOM 871 CB ALA A 56 -7.402 15.121 13.136 1.00 0.00 C ATOM 0 H ALA A 56 -5.494 16.258 11.990 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.229 15.762 11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.369 14.872 13.573 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.956 14.224 12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.745 15.517 13.910 1.00 0.00 H new ATOM 877 N PRO A 57 -9.555 17.306 12.892 1.00 0.00 N ATOM 878 CA PRO A 57 -10.368 18.418 13.437 1.00 0.00 C ATOM 879 C PRO A 57 -10.235 18.533 14.955 1.00 0.00 C ATOM 880 O PRO A 57 -9.541 17.738 15.594 1.00 0.00 O ATOM 881 CB PRO A 57 -11.805 18.034 13.028 1.00 0.00 C ATOM 882 CG PRO A 57 -11.703 16.740 12.285 1.00 0.00 C ATOM 883 CD PRO A 57 -10.402 16.123 12.733 1.00 0.00 C ATOM 0 HA PRO A 57 -10.057 19.391 13.058 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.443 17.928 13.905 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.250 18.807 12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.546 16.088 12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.710 16.904 11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.511 15.569 13.665 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.002 15.429 11.994 1.00 0.00 H new ATOM 891 N LYS A 58 -10.912 19.529 15.517 1.00 0.00 N ATOM 892 CA LYS A 58 -10.887 19.763 16.961 1.00 0.00 C ATOM 893 C LYS A 58 -11.584 18.622 17.705 1.00 0.00 C ATOM 894 O LYS A 58 -12.630 18.191 17.244 1.00 0.00 O ATOM 895 CB LYS A 58 -11.576 21.085 17.296 1.00 0.00 C ATOM 896 CG LYS A 58 -10.974 22.234 16.462 1.00 0.00 C ATOM 897 CD LYS A 58 -12.086 22.989 15.713 1.00 0.00 C ATOM 898 CE LYS A 58 -12.455 22.246 14.419 1.00 0.00 C ATOM 899 NZ LYS A 58 -13.395 21.129 14.728 1.00 0.00 N ATOM 900 OXT LYS A 58 -11.062 18.196 18.721 1.00 0.00 O ATOM 0 H LYS A 58 -11.487 20.190 14.995 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.845 19.809 17.279 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.645 21.005 17.098 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.464 21.301 18.358 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.434 22.921 17.113 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.252 21.836 15.749 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.965 23.082 16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.754 24.000 15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.915 22.936 13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.555 21.855 13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.040 20.986 13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.854 20.257 14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.946 21.364 15.578 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -15.105 -5.439 0.177 1.00 0.00 N ATOM 916 CA VAL B 1 -14.270 -4.972 1.322 1.00 0.00 C ATOM 917 C VAL B 1 -14.354 -5.989 2.462 1.00 0.00 C ATOM 918 O VAL B 1 -13.386 -6.184 3.201 1.00 0.00 O ATOM 919 CB VAL B 1 -14.765 -3.583 1.783 1.00 0.00 C ATOM 920 CG1 VAL B 1 -16.158 -3.687 2.423 1.00 0.00 C ATOM 921 CG2 VAL B 1 -13.778 -2.991 2.801 1.00 0.00 C ATOM 0 H1 VAL B 1 -14.869 -4.887 -0.673 1.00 0.00 H new ATOM 0 H2 VAL B 1 -14.918 -6.446 -0.001 1.00 0.00 H new ATOM 0 H3 VAL B 1 -16.111 -5.309 0.405 1.00 0.00 H new ATOM 0 HA VAL B 1 -13.228 -4.884 1.014 1.00 0.00 H new ATOM 0 HB VAL B 1 -14.828 -2.933 0.910 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -16.487 -2.698 2.740 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -16.864 -4.088 1.696 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -16.113 -4.349 3.288 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -14.131 -2.011 3.123 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -13.705 -3.652 3.664 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -12.796 -2.889 2.339 1.00 0.00 H new ATOM 933 N ASP B 2 -15.517 -6.629 2.591 1.00 0.00 N ATOM 934 CA ASP B 2 -15.741 -7.625 3.641 1.00 0.00 C ATOM 935 C ASP B 2 -15.276 -9.014 3.192 1.00 0.00 C ATOM 936 O ASP B 2 -15.488 -10.004 3.897 1.00 0.00 O ATOM 937 CB ASP B 2 -17.233 -7.667 3.992 1.00 0.00 C ATOM 938 CG ASP B 2 -17.727 -6.264 4.348 1.00 0.00 C ATOM 939 OD1 ASP B 2 -17.346 -5.768 5.395 1.00 0.00 O ATOM 940 OD2 ASP B 2 -18.475 -5.703 3.562 1.00 0.00 O ATOM 0 H ASP B 2 -16.320 -6.475 1.981 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.161 -7.340 4.518 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -17.802 -8.059 3.149 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -17.399 -8.343 4.831 1.00 0.00 H new ATOM 945 N ASN B 3 -14.644 -9.078 2.017 1.00 0.00 N ATOM 946 CA ASN B 3 -14.154 -10.343 1.475 1.00 0.00 C ATOM 947 C ASN B 3 -13.079 -10.947 2.379 1.00 0.00 C ATOM 948 O ASN B 3 -12.419 -10.232 3.139 1.00 0.00 O ATOM 949 CB ASN B 3 -13.570 -10.120 0.072 1.00 0.00 C ATOM 950 CG ASN B 3 -14.615 -9.492 -0.848 1.00 0.00 C ATOM 951 OD1 ASN B 3 -14.365 -8.449 -1.451 1.00 0.00 O ATOM 952 ND2 ASN B 3 -15.775 -10.069 -0.995 1.00 0.00 N ATOM 0 H ASN B 3 -14.461 -8.268 1.425 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.994 -11.035 1.420 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.695 -9.472 0.134 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -13.234 -11.070 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -16.476 -9.656 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.982 -10.934 -0.495 1.00 0.00 H new ATOM 959 N LYS B 4 -12.901 -12.267 2.275 1.00 0.00 N ATOM 960 CA LYS B 4 -11.894 -12.973 3.076 1.00 0.00 C ATOM 961 C LYS B 4 -10.485 -12.547 2.671 1.00 0.00 C ATOM 962 O LYS B 4 -9.500 -12.920 3.310 1.00 0.00 O ATOM 963 CB LYS B 4 -12.046 -14.496 2.911 1.00 0.00 C ATOM 964 CG LYS B 4 -12.069 -14.878 1.415 1.00 0.00 C ATOM 965 CD LYS B 4 -10.958 -15.897 1.102 1.00 0.00 C ATOM 966 CE LYS B 4 -9.586 -15.205 1.067 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.738 -15.826 0.010 1.00 0.00 N ATOM 0 H LYS B 4 -13.437 -12.867 1.648 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.051 -12.712 4.122 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.222 -15.006 3.410 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.965 -14.830 3.392 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.040 -15.299 1.156 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.935 -13.986 0.804 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.956 -16.684 1.856 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.155 -16.375 0.143 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.710 -14.140 0.869 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.098 -15.294 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.752 -15.868 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.079 -16.788 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.791 -15.255 -0.858 1.00 0.00 H new ATOM 981 N PHE B 5 -10.408 -11.774 1.593 1.00 0.00 N ATOM 982 CA PHE B 5 -9.144 -11.295 1.067 1.00 0.00 C ATOM 983 C PHE B 5 -8.533 -10.206 1.934 1.00 0.00 C ATOM 984 O PHE B 5 -7.533 -9.636 1.557 1.00 0.00 O ATOM 985 CB PHE B 5 -9.352 -10.779 -0.360 1.00 0.00 C ATOM 986 CG PHE B 5 -9.493 -11.965 -1.275 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.630 -12.774 -1.187 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.477 -12.273 -2.187 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.753 -13.892 -2.015 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.599 -13.393 -3.011 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.737 -14.202 -2.926 1.00 0.00 C ATOM 0 H PHE B 5 -11.222 -11.464 1.063 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.444 -12.131 1.066 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.242 -10.152 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.508 -10.161 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.411 -12.535 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.601 -11.645 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.632 -14.517 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.815 -13.635 -3.714 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.832 -15.068 -3.565 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.109 -9.930 3.101 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.535 -8.909 3.988 1.00 0.00 C ATOM 1003 C ASN B 6 -7.066 -9.232 4.250 1.00 0.00 C ATOM 1004 O ASN B 6 -6.221 -8.345 4.219 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.327 -8.821 5.308 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.283 -10.138 6.097 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.138 -11.276 5.477 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.391 -10.123 7.322 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.952 -10.383 3.453 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.601 -7.936 3.502 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -8.920 -8.017 5.922 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.364 -8.563 5.092 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.505 -9.236 7.813 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.367 -10.997 7.847 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.772 -10.517 4.446 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.404 -10.978 4.651 1.00 0.00 C ATOM 1017 C LYS B 7 -4.644 -10.926 3.327 1.00 0.00 C ATOM 1018 O LYS B 7 -3.523 -10.419 3.253 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.430 -12.417 5.184 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.995 -12.940 5.369 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.018 -14.324 6.039 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.386 -15.405 5.012 1.00 0.00 C ATOM 1023 NZ LYS B 7 -3.223 -15.651 4.110 1.00 0.00 N ATOM 0 H LYS B 7 -7.470 -11.260 4.467 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.903 -10.335 5.374 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.963 -12.451 6.134 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.973 -13.060 4.491 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.496 -13.004 4.402 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.421 -12.242 5.979 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.042 -14.542 6.473 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.739 -14.328 6.856 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -4.665 -16.327 5.523 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.251 -15.089 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.491 -15.430 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.427 -15.046 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.939 -16.649 4.174 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.290 -11.463 2.291 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.725 -11.514 0.941 1.00 0.00 C ATOM 1039 C GLU B 8 -4.454 -10.109 0.405 1.00 0.00 C ATOM 1040 O GLU B 8 -3.522 -9.893 -0.374 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.733 -12.210 0.006 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.016 -13.645 0.483 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.718 -14.445 0.606 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -4.016 -14.563 -0.386 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.449 -14.934 1.690 1.00 0.00 O ATOM 0 H GLU B 8 -6.220 -11.875 2.364 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.784 -12.062 0.980 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.662 -11.641 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.340 -12.230 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.524 -13.619 1.447 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.688 -14.140 -0.218 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.298 -9.174 0.818 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.210 -7.794 0.389 1.00 0.00 C ATOM 1054 C ARG B 9 -3.960 -7.129 0.957 1.00 0.00 C ATOM 1055 O ARG B 9 -3.240 -6.442 0.247 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.449 -7.039 0.883 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.471 -5.616 0.320 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.102 -4.672 1.343 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.485 -5.053 1.606 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.501 -4.478 0.969 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.393 -4.164 -0.292 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.609 -4.230 1.605 1.00 0.00 N ATOM 0 H ARG B 9 -6.066 -9.357 1.464 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.155 -7.767 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.351 -7.570 0.579 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.451 -7.005 1.972 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.457 -5.291 0.086 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.037 -5.591 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.530 -4.696 2.270 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.065 -3.648 0.972 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.678 -5.779 2.296 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -8.527 -4.359 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.175 -3.723 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.697 -4.477 2.591 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.389 -3.789 1.118 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.724 -7.348 2.251 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.573 -6.756 2.937 1.00 0.00 C ATOM 1078 C VAL B 10 -1.284 -7.185 2.254 1.00 0.00 C ATOM 1079 O VAL B 10 -0.344 -6.401 2.126 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.540 -7.200 4.410 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.451 -6.435 5.173 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.920 -6.999 5.075 1.00 0.00 C ATOM 0 H VAL B 10 -4.314 -7.930 2.846 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.666 -5.671 2.893 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.303 -8.263 4.444 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.439 -6.760 6.213 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.480 -6.635 4.720 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.658 -5.366 5.129 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.873 -7.320 6.116 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.194 -5.945 5.032 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.668 -7.590 4.547 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.255 -8.439 1.819 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.083 -8.983 1.149 1.00 0.00 C ATOM 1094 C ILE B 11 0.087 -8.337 -0.223 1.00 0.00 C ATOM 1095 O ILE B 11 1.205 -8.011 -0.623 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.211 -10.505 1.001 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.718 -11.117 2.332 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.161 -11.085 0.634 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.309 -12.095 2.943 1.00 0.00 C ATOM 0 H ILE B 11 -2.029 -9.096 1.919 1.00 0.00 H new ATOM 0 HA ILE B 11 0.796 -8.763 1.754 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.926 -10.746 0.214 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.926 -10.318 3.043 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.658 -11.640 2.156 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.082 -12.167 0.526 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.500 -10.651 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.878 -10.850 1.421 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.085 -12.501 3.874 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.498 -12.909 2.243 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.241 -11.566 3.144 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.032 -8.138 -0.933 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.996 -7.513 -2.246 1.00 0.00 C ATOM 1113 C ALA B 12 -0.554 -6.088 -2.113 1.00 0.00 C ATOM 1114 O ALA B 12 0.320 -5.658 -2.846 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.379 -7.556 -2.889 1.00 0.00 C ATOM 0 H ALA B 12 -1.965 -8.402 -0.615 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.293 -8.058 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.338 -7.085 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.698 -8.593 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.090 -7.021 -2.259 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.130 -5.381 -1.143 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.759 -3.998 -0.902 1.00 0.00 C ATOM 1123 C ILE B 13 0.729 -3.964 -0.645 1.00 0.00 C ATOM 1124 O ILE B 13 1.438 -3.143 -1.195 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.527 -3.454 0.318 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.019 -3.499 0.042 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.162 -1.996 0.584 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.801 -3.414 1.343 1.00 0.00 C ATOM 0 H ILE B 13 -1.850 -5.744 -0.518 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.009 -3.375 -1.761 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.263 -4.070 1.178 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.299 -2.674 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.271 -4.421 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.717 -1.634 1.450 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.093 -1.919 0.780 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.416 -1.393 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.869 -3.447 1.128 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.533 -4.254 1.984 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.562 -2.480 1.851 1.00 0.00 H new ATOM 1140 N GLY B 14 1.191 -4.911 0.154 1.00 0.00 N ATOM 1141 CA GLY B 14 2.607 -5.023 0.453 1.00 0.00 C ATOM 1142 C GLY B 14 3.402 -5.309 -0.807 1.00 0.00 C ATOM 1143 O GLY B 14 4.472 -4.750 -1.009 1.00 0.00 O ATOM 0 H GLY B 14 0.606 -5.613 0.607 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.961 -4.099 0.910 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.768 -5.820 1.179 1.00 0.00 H new ATOM 1147 N GLU B 15 2.871 -6.188 -1.647 1.00 0.00 N ATOM 1148 CA GLU B 15 3.548 -6.559 -2.870 1.00 0.00 C ATOM 1149 C GLU B 15 3.640 -5.373 -3.800 1.00 0.00 C ATOM 1150 O GLU B 15 4.677 -5.164 -4.417 1.00 0.00 O ATOM 1151 CB GLU B 15 2.816 -7.720 -3.533 1.00 0.00 C ATOM 1152 CG GLU B 15 3.725 -8.444 -4.556 1.00 0.00 C ATOM 1153 CD GLU B 15 5.117 -8.714 -3.971 1.00 0.00 C ATOM 1154 OE1 GLU B 15 5.193 -9.360 -2.935 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.085 -8.260 -4.561 1.00 0.00 O ATOM 0 H GLU B 15 1.975 -6.653 -1.499 1.00 0.00 H new ATOM 0 HA GLU B 15 4.563 -6.880 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.485 -8.427 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.922 -7.350 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.264 -9.386 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.818 -7.837 -5.457 1.00 0.00 H new ATOM 1162 N ILE B 16 2.569 -4.577 -3.887 1.00 0.00 N ATOM 1163 CA ILE B 16 2.636 -3.394 -4.772 1.00 0.00 C ATOM 1164 C ILE B 16 3.812 -2.531 -4.316 1.00 0.00 C ATOM 1165 O ILE B 16 4.664 -2.121 -5.106 1.00 0.00 O ATOM 1166 CB ILE B 16 1.398 -2.453 -4.684 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.058 -3.192 -4.654 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.400 -1.507 -5.888 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.167 -3.930 -5.958 1.00 0.00 C ATOM 0 H ILE B 16 1.689 -4.711 -3.389 1.00 0.00 H new ATOM 0 HA ILE B 16 2.711 -3.786 -5.786 1.00 0.00 H new ATOM 0 HB ILE B 16 1.489 -1.915 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.043 -3.897 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.752 -2.483 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.536 -0.845 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.313 -0.912 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.353 -2.089 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.124 -4.451 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.173 -3.218 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.634 -4.654 -6.109 1.00 0.00 H new ATOM 1181 N MET B 17 3.812 -2.270 -3.018 1.00 0.00 N ATOM 1182 CA MET B 17 4.829 -1.462 -2.359 1.00 0.00 C ATOM 1183 C MET B 17 6.213 -2.111 -2.484 1.00 0.00 C ATOM 1184 O MET B 17 7.221 -1.411 -2.589 1.00 0.00 O ATOM 1185 CB MET B 17 4.414 -1.283 -0.906 1.00 0.00 C ATOM 1186 CG MET B 17 2.971 -0.753 -0.858 1.00 0.00 C ATOM 1187 SD MET B 17 2.935 0.965 -1.374 1.00 0.00 S ATOM 1188 CE MET B 17 3.818 1.594 0.053 1.00 0.00 C ATOM 0 H MET B 17 3.095 -2.619 -2.382 1.00 0.00 H new ATOM 0 HA MET B 17 4.907 -0.485 -2.837 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.484 -2.232 -0.375 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.087 -0.587 -0.405 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.333 -1.351 -1.509 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.573 -0.847 0.152 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.184 2.297 0.592 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.083 0.766 0.711 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.725 2.102 -0.275 1.00 0.00 H new ATOM 1198 N ARG B 18 6.253 -3.454 -2.505 1.00 0.00 N ATOM 1199 CA ARG B 18 7.517 -4.184 -2.656 1.00 0.00 C ATOM 1200 C ARG B 18 8.154 -3.868 -4.002 1.00 0.00 C ATOM 1201 O ARG B 18 9.374 -3.741 -4.109 1.00 0.00 O ATOM 1202 CB ARG B 18 7.284 -5.690 -2.578 1.00 0.00 C ATOM 1203 CG ARG B 18 7.091 -6.133 -1.127 1.00 0.00 C ATOM 1204 CD ARG B 18 8.443 -6.454 -0.484 1.00 0.00 C ATOM 1205 NE ARG B 18 8.682 -7.895 -0.499 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.974 -8.536 -1.625 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.019 -8.916 -2.426 1.00 0.00 N ATOM 1208 NH2 ARG B 18 10.215 -8.783 -1.930 1.00 0.00 N ATOM 0 H ARG B 18 5.430 -4.050 -2.420 1.00 0.00 H new ATOM 0 HA ARG B 18 8.177 -3.872 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.406 -5.958 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.132 -6.217 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.590 -5.346 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.446 -7.011 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.240 -5.941 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.462 -6.086 0.542 1.00 0.00 H new ATOM 0 HE ARG B 18 8.623 -8.420 0.374 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.046 -8.721 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.244 -9.408 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.963 -8.484 -1.304 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.439 -9.275 -2.795 1.00 0.00 H new ATOM 1222 N LEU B 19 7.305 -3.751 -5.026 1.00 0.00 N ATOM 1223 CA LEU B 19 7.768 -3.458 -6.377 1.00 0.00 C ATOM 1224 C LEU B 19 8.489 -2.120 -6.414 1.00 0.00 C ATOM 1225 O LEU B 19 7.872 -1.086 -6.186 1.00 0.00 O ATOM 1226 CB LEU B 19 6.582 -3.402 -7.343 1.00 0.00 C ATOM 1227 CG LEU B 19 5.810 -4.722 -7.368 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.517 -4.537 -8.155 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.636 -5.802 -8.039 1.00 0.00 C ATOM 0 H LEU B 19 6.294 -3.855 -4.941 1.00 0.00 H new ATOM 0 HA LEU B 19 8.453 -4.251 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.912 -2.594 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.940 -3.171 -8.346 1.00 0.00 H new ATOM 0 HG LEU B 19 5.590 -5.018 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.965 -5.477 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.908 -3.768 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.752 -4.234 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.074 -6.736 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.863 -5.503 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.566 -5.944 -7.488 1.00 0.00 H new ATOM 1241 N PRO B 20 9.773 -2.114 -6.688 1.00 0.00 N ATOM 1242 CA PRO B 20 10.571 -0.863 -6.750 1.00 0.00 C ATOM 1243 C PRO B 20 10.405 -0.100 -8.071 1.00 0.00 C ATOM 1244 O PRO B 20 10.893 1.026 -8.194 1.00 0.00 O ATOM 1245 CB PRO B 20 12.023 -1.347 -6.588 1.00 0.00 C ATOM 1246 CG PRO B 20 11.978 -2.833 -6.441 1.00 0.00 C ATOM 1247 CD PRO B 20 10.627 -3.280 -6.963 1.00 0.00 C ATOM 0 HA PRO B 20 10.252 -0.156 -5.985 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.622 -1.064 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.487 -0.888 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.785 -3.302 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.106 -3.123 -5.398 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.661 -3.515 -8.027 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.270 -4.173 -6.451 1.00 0.00 H new ATOM 1255 N ASN B 21 9.746 -0.716 -9.064 1.00 0.00 N ATOM 1256 CA ASN B 21 9.576 -0.070 -10.366 1.00 0.00 C ATOM 1257 C ASN B 21 8.241 0.674 -10.480 1.00 0.00 C ATOM 1258 O ASN B 21 8.085 1.515 -11.367 1.00 0.00 O ATOM 1259 CB ASN B 21 9.684 -1.109 -11.488 1.00 0.00 C ATOM 1260 CG ASN B 21 10.994 -1.889 -11.379 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.011 -3.154 -11.691 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.027 -1.332 -11.009 1.00 0.00 N flip ATOM 0 H ASN B 21 9.330 -1.644 -8.990 1.00 0.00 H new ATOM 0 HA ASN B 21 10.373 0.668 -10.463 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.840 -1.797 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.631 -0.612 -12.457 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.013 -0.342 -10.765 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.897 -1.861 -10.946 1.00 0.00 H new ATOM 1269 N LEU B 22 7.275 0.373 -9.597 1.00 0.00 N ATOM 1270 CA LEU B 22 5.975 1.053 -9.666 1.00 0.00 C ATOM 1271 C LEU B 22 6.071 2.510 -9.225 1.00 0.00 C ATOM 1272 O LEU B 22 6.951 2.896 -8.454 1.00 0.00 O ATOM 1273 CB LEU B 22 4.906 0.353 -8.802 1.00 0.00 C ATOM 1274 CG LEU B 22 4.657 -1.087 -9.256 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.359 -1.611 -8.628 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.519 -1.122 -10.760 1.00 0.00 C ATOM 0 H LEU B 22 7.365 -0.315 -8.849 1.00 0.00 H new ATOM 0 HA LEU B 22 5.677 1.008 -10.713 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.224 0.355 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.974 0.916 -8.852 1.00 0.00 H new ATOM 0 HG LEU B 22 5.495 -1.710 -8.943 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.185 -2.637 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.444 -1.585 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.524 -0.984 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.342 -2.147 -11.085 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.681 -0.495 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.435 -0.749 -11.218 1.00 0.00 H new ATOM 1288 N ASN B 23 5.129 3.300 -9.728 1.00 0.00 N ATOM 1289 CA ASN B 23 5.037 4.718 -9.412 1.00 0.00 C ATOM 1290 C ASN B 23 4.172 4.882 -8.162 1.00 0.00 C ATOM 1291 O ASN B 23 3.347 4.020 -7.871 1.00 0.00 O ATOM 1292 CB ASN B 23 4.417 5.420 -10.642 1.00 0.00 C ATOM 1293 CG ASN B 23 3.451 6.536 -10.284 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.301 6.521 -10.709 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.855 7.517 -9.553 1.00 0.00 N ATOM 0 H ASN B 23 4.406 2.972 -10.368 1.00 0.00 H new ATOM 0 HA ASN B 23 6.010 5.162 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.218 5.828 -11.259 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.895 4.679 -11.247 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.218 8.281 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.812 7.529 -9.199 1.00 0.00 H new ATOM 1302 N SER B 24 4.349 5.986 -7.432 1.00 0.00 N ATOM 1303 CA SER B 24 3.552 6.213 -6.225 1.00 0.00 C ATOM 1304 C SER B 24 2.071 6.180 -6.580 1.00 0.00 C ATOM 1305 O SER B 24 1.270 5.549 -5.894 1.00 0.00 O ATOM 1306 CB SER B 24 3.912 7.565 -5.600 1.00 0.00 C ATOM 1307 OG SER B 24 3.614 8.609 -6.520 1.00 0.00 O ATOM 0 H SER B 24 5.021 6.722 -7.649 1.00 0.00 H new ATOM 0 HA SER B 24 3.767 5.427 -5.501 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.353 7.710 -4.676 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.970 7.587 -5.340 1.00 0.00 H new ATOM 0 HG SER B 24 3.843 9.473 -6.119 1.00 0.00 H new ATOM 1313 N LEU B 25 1.737 6.840 -7.686 1.00 0.00 N ATOM 1314 CA LEU B 25 0.371 6.883 -8.182 1.00 0.00 C ATOM 1315 C LEU B 25 -0.057 5.522 -8.727 1.00 0.00 C ATOM 1316 O LEU B 25 -1.206 5.119 -8.549 1.00 0.00 O ATOM 1317 CB LEU B 25 0.233 7.954 -9.275 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.623 9.105 -8.779 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.726 10.187 -9.862 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.009 8.568 -8.439 1.00 0.00 C ATOM 0 H LEU B 25 2.405 7.357 -8.259 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.282 7.140 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.219 8.321 -9.560 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.215 7.517 -10.168 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.171 9.549 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.342 11.009 -9.498 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.270 10.559 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.180 9.763 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.637 9.383 -8.081 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.458 8.129 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.924 7.807 -7.663 1.00 0.00 H new ATOM 1332 N GLN B 26 0.872 4.809 -9.378 1.00 0.00 N ATOM 1333 CA GLN B 26 0.564 3.492 -9.920 1.00 0.00 C ATOM 1334 C GLN B 26 0.240 2.546 -8.789 1.00 0.00 C ATOM 1335 O GLN B 26 -0.686 1.742 -8.871 1.00 0.00 O ATOM 1336 CB GLN B 26 1.765 2.928 -10.668 1.00 0.00 C ATOM 1337 CG GLN B 26 1.883 3.529 -12.069 1.00 0.00 C ATOM 1338 CD GLN B 26 3.104 2.944 -12.767 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.892 2.136 -12.111 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.348 3.228 -13.939 1.00 0.00 N flip ATOM 0 H GLN B 26 1.829 5.123 -9.537 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.283 3.592 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.675 3.133 -10.105 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.673 1.844 -10.742 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.983 3.315 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.971 4.614 -12.006 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.731 3.860 -14.450 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.167 2.832 -14.400 1.00 0.00 H new ATOM 1349 N VAL B 27 1.021 2.669 -7.727 1.00 0.00 N ATOM 1350 CA VAL B 27 0.841 1.842 -6.558 1.00 0.00 C ATOM 1351 C VAL B 27 -0.506 2.136 -5.955 1.00 0.00 C ATOM 1352 O VAL B 27 -1.273 1.224 -5.682 1.00 0.00 O ATOM 1353 CB VAL B 27 1.992 2.072 -5.575 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.698 1.399 -4.224 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.259 1.464 -6.193 1.00 0.00 C ATOM 0 H VAL B 27 1.787 3.339 -7.657 1.00 0.00 H new ATOM 0 HA VAL B 27 0.862 0.786 -6.826 1.00 0.00 H new ATOM 0 HB VAL B 27 2.120 3.139 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.529 1.575 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.785 1.817 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.571 0.327 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.101 1.611 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.108 0.397 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.470 1.952 -7.145 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.816 3.415 -5.824 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.104 3.817 -5.321 1.00 0.00 C ATOM 1367 C VAL B 28 -3.183 3.265 -6.249 1.00 0.00 C ATOM 1368 O VAL B 28 -4.253 2.886 -5.797 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.195 5.345 -5.257 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.581 5.736 -4.741 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.104 5.898 -4.320 1.00 0.00 C ATOM 0 H VAL B 28 -0.190 4.185 -6.060 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.245 3.425 -4.314 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.043 5.766 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.658 6.822 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.343 5.349 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.731 5.316 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.175 6.985 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.242 5.488 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.122 5.613 -4.697 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.874 3.204 -7.548 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.804 2.683 -8.539 1.00 0.00 C ATOM 1383 C ALA B 29 -4.168 1.252 -8.184 1.00 0.00 C ATOM 1384 O ALA B 29 -5.340 0.865 -8.222 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.152 2.717 -9.931 1.00 0.00 C ATOM 0 H ALA B 29 -1.981 3.512 -7.933 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.704 3.298 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.851 2.326 -10.670 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.891 3.744 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.250 2.105 -9.925 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.148 0.475 -7.827 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.336 -0.891 -7.458 1.00 0.00 C ATOM 1393 C PHE B 30 -3.984 -0.989 -6.079 1.00 0.00 C ATOM 1394 O PHE B 30 -4.946 -1.728 -5.912 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.971 -1.595 -7.506 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.437 -1.552 -8.937 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.210 -2.044 -10.009 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.179 -0.974 -9.207 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.730 -1.953 -11.314 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.289 -0.897 -10.514 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.486 -1.381 -11.568 1.00 0.00 C ATOM 0 H PHE B 30 -2.179 0.790 -7.791 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.013 -1.385 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.271 -1.105 -6.829 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.069 -2.628 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.174 -2.491 -9.818 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.422 -0.590 -8.396 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.326 -2.328 -12.133 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.256 -0.461 -10.714 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.121 -1.312 -12.582 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.492 -0.212 -5.104 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.068 -0.239 -3.752 1.00 0.00 C ATOM 1413 C ILE B 31 -5.556 0.124 -3.822 1.00 0.00 C ATOM 1414 O ILE B 31 -6.398 -0.547 -3.223 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.321 0.748 -2.827 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.821 0.432 -2.778 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.849 0.655 -1.388 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.106 1.618 -2.128 1.00 0.00 C ATOM 0 H ILE B 31 -2.710 0.432 -5.222 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.961 -1.243 -3.340 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.487 1.745 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.643 -0.479 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.435 0.259 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.308 1.359 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.912 0.897 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.703 -0.357 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.036 1.417 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.281 2.517 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.491 1.767 -1.119 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.868 1.172 -4.582 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.258 1.610 -4.756 1.00 0.00 C ATOM 1432 C ASN B 32 -8.102 0.525 -5.417 1.00 0.00 C ATOM 1433 O ASN B 32 -9.301 0.454 -5.173 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.344 2.881 -5.627 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.650 4.114 -4.779 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -8.495 4.064 -3.884 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -7.019 5.231 -5.019 1.00 0.00 N ATOM 0 H ASN B 32 -5.183 1.734 -5.087 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.642 1.821 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.403 3.026 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.119 2.755 -6.383 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -7.226 6.062 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -6.319 5.272 -5.760 1.00 0.00 H new ATOM 1444 N SER B 33 -7.486 -0.315 -6.259 1.00 0.00 N ATOM 1445 CA SER B 33 -8.227 -1.358 -6.927 1.00 0.00 C ATOM 1446 C SER B 33 -8.534 -2.476 -5.945 1.00 0.00 C ATOM 1447 O SER B 33 -9.579 -3.114 -6.045 1.00 0.00 O ATOM 1448 CB SER B 33 -7.481 -1.828 -8.160 1.00 0.00 C ATOM 1449 OG SER B 33 -7.853 -1.020 -9.270 1.00 0.00 O ATOM 0 H SER B 33 -6.491 -0.283 -6.482 1.00 0.00 H new ATOM 0 HA SER B 33 -9.184 -0.973 -7.279 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.405 -1.766 -7.994 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.712 -2.874 -8.363 1.00 0.00 H new ATOM 0 HG SER B 33 -7.371 -1.320 -10.069 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.658 -2.664 -4.946 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.934 -3.656 -3.906 1.00 0.00 C ATOM 1457 C LEU B 34 -9.170 -3.143 -3.179 1.00 0.00 C ATOM 1458 O LEU B 34 -10.127 -3.866 -2.916 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.784 -3.772 -2.889 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.413 -3.704 -3.575 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.316 -3.748 -2.539 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.226 -4.880 -4.493 1.00 0.00 C ATOM 0 H LEU B 34 -6.779 -2.157 -4.840 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.064 -4.641 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.864 -2.970 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.873 -4.712 -2.345 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.367 -2.775 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.346 -3.699 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.421 -2.900 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.388 -4.676 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.249 -4.816 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.289 -5.804 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.005 -4.873 -5.256 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.114 -1.836 -2.908 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.197 -1.093 -2.258 1.00 0.00 C ATOM 1476 C ARG B 35 -11.473 -1.233 -3.083 1.00 0.00 C ATOM 1477 O ARG B 35 -12.559 -1.452 -2.544 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.763 0.384 -2.187 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.311 1.087 -0.932 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.288 2.083 -0.384 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.239 1.392 0.359 1.00 0.00 N ATOM 1482 CZ ARG B 35 -6.976 1.484 -0.008 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -6.670 1.541 -1.272 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -6.042 1.523 0.895 1.00 0.00 N ATOM 0 H ARG B 35 -8.306 -1.257 -3.137 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.394 -1.477 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.675 0.442 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.112 0.907 -3.077 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.238 1.606 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.551 0.346 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.847 2.647 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.786 2.803 0.265 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.486 0.830 1.174 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -7.407 1.514 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -5.693 1.612 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -6.287 1.482 1.884 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.064 1.594 0.614 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.306 -1.127 -4.399 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.412 -1.259 -5.339 1.00 0.00 C ATOM 1500 C ASP B 36 -12.924 -2.698 -5.365 1.00 0.00 C ATOM 1501 O ASP B 36 -14.132 -2.939 -5.418 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.922 -0.860 -6.742 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.557 0.632 -6.806 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.067 1.401 -6.005 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.767 0.984 -7.668 1.00 0.00 O ATOM 0 H ASP B 36 -10.404 -0.948 -4.840 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.228 -0.608 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.053 -1.461 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.698 -1.078 -7.476 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.982 -3.644 -5.328 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.301 -5.076 -5.352 1.00 0.00 C ATOM 1512 C ASP B 37 -11.197 -5.874 -4.666 1.00 0.00 C ATOM 1513 O ASP B 37 -10.167 -6.183 -5.274 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.463 -5.574 -6.800 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.462 -4.708 -7.566 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.649 -4.971 -7.459 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.026 -3.793 -8.246 1.00 0.00 O ATOM 0 H ASP B 37 -10.983 -3.442 -5.281 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.241 -5.221 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.497 -5.556 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.801 -6.610 -6.797 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.392 -6.210 -3.414 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.395 -6.985 -2.635 1.00 0.00 C ATOM 1524 C PRO B 38 -10.269 -8.431 -3.107 1.00 0.00 C ATOM 1525 O PRO B 38 -9.232 -9.068 -2.908 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.892 -6.929 -1.192 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.137 -6.101 -1.173 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.582 -5.889 -2.613 1.00 0.00 C ATOM 0 HA PRO B 38 -9.398 -6.562 -2.756 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.094 -7.933 -0.818 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.133 -6.493 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.919 -6.602 -0.602 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.951 -5.143 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.420 -6.537 -2.869 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.909 -4.863 -2.781 1.00 0.00 H new ATOM 1536 N SER B 39 -11.328 -8.938 -3.737 1.00 0.00 N ATOM 1537 CA SER B 39 -11.331 -10.302 -4.241 1.00 0.00 C ATOM 1538 C SER B 39 -10.261 -10.452 -5.309 1.00 0.00 C ATOM 1539 O SER B 39 -9.597 -11.486 -5.396 1.00 0.00 O ATOM 1540 CB SER B 39 -12.704 -10.643 -4.825 1.00 0.00 C ATOM 1541 OG SER B 39 -13.700 -10.433 -3.830 1.00 0.00 O ATOM 0 H SER B 39 -12.191 -8.422 -3.908 1.00 0.00 H new ATOM 0 HA SER B 39 -11.119 -10.987 -3.420 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.907 -10.021 -5.697 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.722 -11.679 -5.162 1.00 0.00 H new ATOM 0 HG SER B 39 -14.582 -10.648 -4.199 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.099 -9.397 -6.114 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.109 -9.397 -7.175 1.00 0.00 C ATOM 1549 C GLN B 40 -7.876 -8.607 -6.768 1.00 0.00 C ATOM 1550 O GLN B 40 -7.154 -8.114 -7.629 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.688 -8.832 -8.485 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.224 -8.782 -8.441 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.772 -8.323 -9.789 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.745 -8.885 -10.290 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -11.197 -7.332 -10.411 1.00 0.00 N ATOM 0 H GLN B 40 -10.644 -8.537 -6.045 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.820 -10.434 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.294 -7.830 -8.657 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.366 -9.449 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.621 -9.767 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.551 -8.101 -7.656 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.390 -6.867 -9.994 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.554 -7.021 -11.315 1.00 0.00 H new ATOM 1564 N SER B 41 -7.618 -8.497 -5.458 1.00 0.00 N ATOM 1565 CA SER B 41 -6.446 -7.768 -4.997 1.00 0.00 C ATOM 1566 C SER B 41 -5.200 -8.320 -5.667 1.00 0.00 C ATOM 1567 O SER B 41 -4.253 -7.593 -5.946 1.00 0.00 O ATOM 1568 CB SER B 41 -6.304 -7.913 -3.478 1.00 0.00 C ATOM 1569 OG SER B 41 -7.280 -7.116 -2.829 1.00 0.00 O ATOM 0 H SER B 41 -8.196 -8.897 -4.718 1.00 0.00 H new ATOM 0 HA SER B 41 -6.564 -6.715 -5.253 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.423 -8.957 -3.190 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.305 -7.608 -3.166 1.00 0.00 H new ATOM 0 HG SER B 41 -7.295 -7.331 -1.873 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.245 -9.614 -5.924 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.164 -10.328 -6.576 1.00 0.00 C ATOM 1577 C ALA B 42 -4.095 -9.984 -8.065 1.00 0.00 C ATOM 1578 O ALA B 42 -3.039 -10.100 -8.681 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.418 -11.824 -6.427 1.00 0.00 C ATOM 0 H ALA B 42 -6.041 -10.204 -5.683 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.220 -10.041 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.615 -12.379 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.452 -12.084 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.369 -12.080 -6.894 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.246 -9.604 -8.630 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.367 -9.284 -10.049 1.00 0.00 C ATOM 1587 C ASN B 43 -4.677 -7.990 -10.423 1.00 0.00 C ATOM 1588 O ASN B 43 -3.851 -7.959 -11.328 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.830 -9.149 -10.381 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.052 -9.257 -11.888 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.651 -8.291 -12.668 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.595 -10.252 -12.367 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.119 -9.511 -8.112 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.888 -10.088 -10.608 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.398 -9.925 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.203 -8.190 -10.021 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.908 -11.006 -11.756 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.732 -10.322 -13.375 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.021 -6.920 -9.720 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.417 -5.647 -9.990 1.00 0.00 C ATOM 1601 C LEU B 44 -3.006 -5.677 -9.432 1.00 0.00 C ATOM 1602 O LEU B 44 -2.103 -5.036 -9.947 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.301 -4.461 -9.529 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.463 -4.340 -8.024 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.347 -5.450 -7.505 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.128 -4.300 -7.319 1.00 0.00 C ATOM 0 H LEU B 44 -5.710 -6.919 -8.968 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.339 -5.469 -11.063 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.871 -3.535 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.288 -4.564 -9.980 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.952 -3.390 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.456 -5.353 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.328 -5.384 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.896 -6.414 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.287 -4.213 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.577 -5.216 -7.532 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.556 -3.442 -7.672 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.809 -6.510 -8.408 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.485 -6.713 -7.861 1.00 0.00 C ATOM 1620 C LEU B 45 -0.698 -7.367 -8.972 1.00 0.00 C ATOM 1621 O LEU B 45 0.476 -7.091 -9.194 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.542 -7.645 -6.641 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.187 -8.334 -6.427 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.900 -7.281 -6.221 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.262 -9.265 -5.210 1.00 0.00 C ATOM 0 H LEU B 45 -3.547 -7.046 -7.951 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.036 -5.777 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.811 -7.074 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.319 -8.395 -6.785 1.00 0.00 H new ATOM 0 HG LEU B 45 0.059 -8.927 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.860 -7.774 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.956 -6.639 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.660 -6.677 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.703 -9.751 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.514 -8.684 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.028 -10.022 -5.378 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.413 -8.213 -9.697 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.843 -8.896 -10.835 1.00 0.00 C ATOM 1639 C ALA B 46 -0.462 -7.832 -11.850 1.00 0.00 C ATOM 1640 O ALA B 46 0.635 -7.841 -12.401 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.867 -9.871 -11.442 1.00 0.00 C ATOM 0 H ALA B 46 -2.390 -8.440 -9.513 1.00 0.00 H new ATOM 0 HA ALA B 46 0.030 -9.478 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.423 -10.378 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.155 -10.609 -10.693 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.749 -9.318 -11.765 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.382 -6.882 -12.032 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.168 -5.758 -12.922 1.00 0.00 C ATOM 1649 C GLU B 47 0.025 -4.946 -12.437 1.00 0.00 C ATOM 1650 O GLU B 47 0.757 -4.364 -13.232 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.399 -4.833 -12.933 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.632 -5.528 -13.505 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.352 -6.127 -14.887 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.874 -5.404 -15.747 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.623 -7.303 -15.062 1.00 0.00 O ATOM 0 H GLU B 47 -2.289 -6.877 -11.565 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.991 -6.147 -13.925 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.610 -4.498 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.178 -3.943 -13.522 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.954 -6.316 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.452 -4.814 -13.577 1.00 0.00 H new ATOM 1662 N ALA B 48 0.184 -4.900 -11.115 1.00 0.00 N ATOM 1663 CA ALA B 48 1.249 -4.150 -10.485 1.00 0.00 C ATOM 1664 C ALA B 48 2.584 -4.805 -10.691 1.00 0.00 C ATOM 1665 O ALA B 48 3.541 -4.165 -11.091 1.00 0.00 O ATOM 1666 CB ALA B 48 0.979 -4.124 -8.993 1.00 0.00 C ATOM 0 H ALA B 48 -0.427 -5.385 -10.458 1.00 0.00 H new ATOM 0 HA ALA B 48 1.275 -3.152 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.768 -3.564 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.018 -3.645 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.957 -5.144 -8.609 1.00 0.00 H new ATOM 1672 N LYS B 49 2.629 -6.095 -10.431 1.00 0.00 N ATOM 1673 CA LYS B 49 3.845 -6.847 -10.603 1.00 0.00 C ATOM 1674 C LYS B 49 4.226 -6.788 -12.076 1.00 0.00 C ATOM 1675 O LYS B 49 5.395 -6.659 -12.418 1.00 0.00 O ATOM 1676 CB LYS B 49 3.629 -8.266 -10.079 1.00 0.00 C ATOM 1677 CG LYS B 49 3.630 -8.253 -8.545 1.00 0.00 C ATOM 1678 CD LYS B 49 3.574 -9.693 -8.016 1.00 0.00 C ATOM 1679 CE LYS B 49 2.221 -10.329 -8.364 1.00 0.00 C ATOM 1680 NZ LYS B 49 2.392 -11.272 -9.505 1.00 0.00 N ATOM 0 H LYS B 49 1.834 -6.641 -10.099 1.00 0.00 H new ATOM 0 HA LYS B 49 4.676 -6.432 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.683 -8.661 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.415 -8.924 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.526 -7.754 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.775 -7.686 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.383 -10.280 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.720 -9.698 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.823 -10.858 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.499 -9.554 -8.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.493 -11.361 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.124 -10.909 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.679 -12.204 -9.145 1.00 0.00 H new ATOM 1694 N LYS B 50 3.198 -6.794 -12.926 1.00 0.00 N ATOM 1695 CA LYS B 50 3.378 -6.658 -14.366 1.00 0.00 C ATOM 1696 C LYS B 50 3.824 -5.247 -14.712 1.00 0.00 C ATOM 1697 O LYS B 50 4.643 -5.058 -15.602 1.00 0.00 O ATOM 1698 CB LYS B 50 2.079 -6.957 -15.101 1.00 0.00 C ATOM 1699 CG LYS B 50 1.844 -8.476 -15.161 1.00 0.00 C ATOM 1700 CD LYS B 50 0.713 -8.798 -16.150 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.626 -8.275 -15.617 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.740 -8.889 -16.393 1.00 0.00 N ATOM 0 H LYS B 50 2.225 -6.893 -12.635 1.00 0.00 H new ATOM 0 HA LYS B 50 4.141 -7.372 -14.676 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.245 -6.472 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.120 -6.547 -16.110 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.760 -8.981 -15.467 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.589 -8.852 -14.170 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.928 -8.346 -17.118 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.654 -9.875 -16.307 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.728 -8.517 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.665 -7.189 -15.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.644 -8.473 -16.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.597 -8.709 -17.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.757 -9.915 -16.223 1.00 0.00 H new ATOM 1716 N LEU B 51 3.278 -4.256 -14.006 1.00 0.00 N ATOM 1717 CA LEU B 51 3.650 -2.865 -14.257 1.00 0.00 C ATOM 1718 C LEU B 51 5.069 -2.647 -13.822 1.00 0.00 C ATOM 1719 O LEU B 51 5.862 -2.006 -14.510 1.00 0.00 O ATOM 1720 CB LEU B 51 2.726 -1.905 -13.501 1.00 0.00 C ATOM 1721 CG LEU B 51 1.837 -1.166 -14.496 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.700 -0.185 -15.307 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.142 -2.182 -15.427 1.00 0.00 C ATOM 0 H LEU B 51 2.587 -4.388 -13.267 1.00 0.00 H new ATOM 0 HA LEU B 51 3.551 -2.664 -15.324 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.112 -2.458 -12.790 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.317 -1.192 -12.926 1.00 0.00 H new ATOM 0 HG LEU B 51 1.067 -0.606 -13.965 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.072 0.348 -16.021 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.169 0.531 -14.632 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.472 -0.737 -15.844 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.508 -1.651 -16.137 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.895 -2.752 -15.970 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.531 -2.862 -14.833 1.00 0.00 H new ATOM 1735 N ASN B 52 5.385 -3.241 -12.692 1.00 0.00 N ATOM 1736 CA ASN B 52 6.730 -3.177 -12.168 1.00 0.00 C ATOM 1737 C ASN B 52 7.627 -3.843 -13.179 1.00 0.00 C ATOM 1738 O ASN B 52 8.718 -3.364 -13.482 1.00 0.00 O ATOM 1739 CB ASN B 52 6.800 -3.897 -10.828 1.00 0.00 C ATOM 1740 CG ASN B 52 8.250 -4.090 -10.398 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.783 -3.316 -9.604 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.921 -5.082 -10.893 1.00 0.00 N ATOM 0 H ASN B 52 4.729 -3.773 -12.120 1.00 0.00 H new ATOM 0 HA ASN B 52 7.041 -2.146 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.264 -3.323 -10.072 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.305 -4.865 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.895 -5.223 -10.625 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.475 -5.721 -11.551 1.00 0.00 H new ATOM 1749 N ASP B 53 7.108 -4.933 -13.731 1.00 0.00 N ATOM 1750 CA ASP B 53 7.819 -5.667 -14.768 1.00 0.00 C ATOM 1751 C ASP B 53 7.914 -4.800 -16.020 1.00 0.00 C ATOM 1752 O ASP B 53 8.910 -4.830 -16.743 1.00 0.00 O ATOM 1753 CB ASP B 53 7.097 -6.983 -15.099 1.00 0.00 C ATOM 1754 CG ASP B 53 7.181 -7.984 -13.936 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.025 -7.814 -13.067 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.385 -8.910 -13.930 1.00 0.00 O ATOM 0 H ASP B 53 6.201 -5.326 -13.479 1.00 0.00 H new ATOM 0 HA ASP B 53 8.819 -5.908 -14.407 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.051 -6.777 -15.327 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.537 -7.425 -15.993 1.00 0.00 H new ATOM 1761 N ALA B 54 6.853 -4.026 -16.254 1.00 0.00 N ATOM 1762 CA ALA B 54 6.775 -3.136 -17.403 1.00 0.00 C ATOM 1763 C ALA B 54 7.825 -2.034 -17.299 1.00 0.00 C ATOM 1764 O ALA B 54 8.441 -1.653 -18.296 1.00 0.00 O ATOM 1765 CB ALA B 54 5.376 -2.520 -17.466 1.00 0.00 C ATOM 0 H ALA B 54 6.029 -4.002 -15.653 1.00 0.00 H new ATOM 0 HA ALA B 54 6.967 -3.707 -18.311 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.311 -1.852 -18.325 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.634 -3.312 -17.565 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.185 -1.956 -16.553 1.00 0.00 H new ATOM 1771 N GLN B 55 8.023 -1.535 -16.077 1.00 0.00 N ATOM 1772 CA GLN B 55 8.999 -0.480 -15.825 1.00 0.00 C ATOM 1773 C GLN B 55 10.362 -1.059 -15.455 1.00 0.00 C ATOM 1774 O GLN B 55 11.344 -0.323 -15.335 1.00 0.00 O ATOM 1775 CB GLN B 55 8.496 0.386 -14.691 1.00 0.00 C ATOM 1776 CG GLN B 55 7.220 1.112 -15.114 1.00 0.00 C ATOM 1777 CD GLN B 55 6.373 1.383 -13.885 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.926 0.374 -13.192 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.121 2.537 -13.541 1.00 0.00 N flip ATOM 0 H GLN B 55 7.518 -1.847 -15.247 1.00 0.00 H new ATOM 0 HA GLN B 55 9.119 0.108 -16.735 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.300 -0.229 -13.812 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.260 1.111 -14.409 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.468 2.048 -15.614 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.663 0.507 -15.829 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.475 3.321 -14.089 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.558 2.709 -12.708 1.00 0.00 H new ATOM 1788 N ALA B 56 10.414 -2.379 -15.269 1.00 0.00 N ATOM 1789 CA ALA B 56 11.664 -3.050 -14.902 1.00 0.00 C ATOM 1790 C ALA B 56 12.691 -2.936 -16.016 1.00 0.00 C ATOM 1791 O ALA B 56 12.356 -2.589 -17.150 1.00 0.00 O ATOM 1792 CB ALA B 56 11.416 -4.529 -14.606 1.00 0.00 C ATOM 0 H ALA B 56 9.612 -3.002 -15.365 1.00 0.00 H new ATOM 0 HA ALA B 56 12.048 -2.558 -14.008 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.357 -5.009 -14.336 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.711 -4.621 -13.780 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.003 -5.013 -15.491 1.00 0.00 H new ATOM 1798 N PRO B 57 13.934 -3.222 -15.710 1.00 0.00 N ATOM 1799 CA PRO B 57 15.035 -3.152 -16.686 1.00 0.00 C ATOM 1800 C PRO B 57 15.102 -4.417 -17.534 1.00 0.00 C ATOM 1801 O PRO B 57 14.444 -5.416 -17.233 1.00 0.00 O ATOM 1802 CB PRO B 57 16.292 -2.987 -15.811 1.00 0.00 C ATOM 1803 CG PRO B 57 15.821 -2.998 -14.391 1.00 0.00 C ATOM 1804 CD PRO B 57 14.453 -3.650 -14.413 1.00 0.00 C ATOM 0 HA PRO B 57 14.916 -2.337 -17.400 1.00 0.00 H new ATOM 0 HB2 PRO B 57 17.000 -3.796 -15.992 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.807 -2.055 -16.042 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.509 -3.555 -13.755 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.765 -1.986 -13.990 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.517 -4.735 -14.337 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.825 -3.309 -13.590 1.00 0.00 H new ATOM 1812 N LYS B 58 15.889 -4.350 -18.594 1.00 0.00 N ATOM 1813 CA LYS B 58 16.051 -5.470 -19.511 1.00 0.00 C ATOM 1814 C LYS B 58 17.521 -5.642 -19.899 1.00 0.00 C ATOM 1815 O LYS B 58 18.168 -4.640 -20.166 1.00 0.00 O ATOM 1816 CB LYS B 58 15.208 -5.224 -20.761 1.00 0.00 C ATOM 1817 CG LYS B 58 13.793 -5.806 -20.579 1.00 0.00 C ATOM 1818 CD LYS B 58 12.839 -4.721 -20.048 1.00 0.00 C ATOM 1819 CE LYS B 58 11.706 -5.368 -19.242 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.828 -4.303 -18.680 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.980 -6.773 -19.923 1.00 0.00 O ATOM 0 H LYS B 58 16.432 -3.524 -18.844 1.00 0.00 H new ATOM 0 HA LYS B 58 15.719 -6.383 -19.017 1.00 0.00 H new ATOM 0 HB2 LYS B 58 15.145 -4.154 -20.960 1.00 0.00 H new ATOM 0 HB3 LYS B 58 15.688 -5.681 -21.626 1.00 0.00 H new ATOM 0 HG2 LYS B 58 13.425 -6.191 -21.530 1.00 0.00 H new ATOM 0 HG3 LYS B 58 13.823 -6.646 -19.885 1.00 0.00 H new ATOM 0 HD2 LYS B 58 13.387 -4.018 -19.421 1.00 0.00 H new ATOM 0 HD3 LYS B 58 12.425 -4.150 -20.879 1.00 0.00 H new ATOM 0 HE2 LYS B 58 11.125 -6.034 -19.880 1.00 0.00 H new ATOM 0 HE3 LYS B 58 12.119 -5.977 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.069 -4.739 -18.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 11.391 -3.674 -18.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.411 -3.751 -19.457 1.00 0.00 H new TER 1835 LYS B 58