USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 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 : amide:sc= -4.18! C(o=-9!,f=-8.8!) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.85! C(o=-9!,f=-15!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.79! C(o=-6.7!,f=-3.8!) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -2.05! F(o=-7.1,f=-3.8!) USER MOD Set 3.1: B 23 ASN : amide:sc= -2.72! C(o=-2.9!,f=-16!) USER MOD Set 3.2: B 24 SER OG : rot 180:sc= -0.152 USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.6 F(o=-15!,f=-11) USER MOD Set 4.2: A 52 ASN : amide:sc= -9.72! C(o=-11!,f=-20!) USER MOD Set 5.1: A 39 SER OG : rot -76:sc= 1.3 USER MOD Set 5.2: A 40 GLN : amide:sc= -0.721 K(o=0.56,f=-0.22) USER MOD Set 5.3: A 43 ASN :FLIP amide:sc= -0.0247 F(o=-0.05,f=0.56) USER MOD Set 6.1: A 23 ASN : amide:sc= -5.55! C(o=-10!,f=-17!) USER MOD Set 6.2: A 26 GLN :FLIP amide:sc= -2.05 F(o=-11,f=-10) USER MOD Set 6.3: A 55 GLN :FLIP amide:sc= -2.39! C(o=-14!,f=-10!) USER MOD Set 7.1: A 13 THR OG1 : rot 107:sc= -2.88 USER MOD Set 7.2: B 17 MET CE :methyl -130:sc= -12.3! (180deg=-13.7!) USER MOD Set 8.1: A 7 LYS NZ :NH3+ 175:sc= -0.734 (180deg=-0.729) USER MOD Set 8.2: B 7 LYS NZ :NH3+ -139:sc= 0.506 (180deg=-0.642) USER MOD Single : A 1 VAL N :NH3+ 140:sc= -0.594 (180deg=-0.921) USER MOD Single : A 3 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.44) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -1.81 (180deg=-2.36!) USER MOD Single : A 6 ASN : amide:sc= -4.23! C(o=-4.2!,f=-13!) USER MOD Single : A 18 ASN : amide:sc= -0.565 K(o=-0.57,f=-6.3!) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.575 (180deg=-1.95) USER MOD Single : A 33 SER OG : rot 76:sc= 0.749 USER MOD Single : A 41 SER OG : rot -91:sc= 0.305 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.182) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= 1.06 (180deg=0.291) USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= 0.908 (180deg=-1.32) USER MOD Single : B 1 VAL N :NH3+ -124:sc= -0.811 (180deg=-1.07) USER MOD Single : B 3 ASN : amide:sc= -1.41! C(o=-1.4!,f=-3.8!) USER MOD Single : B 4 LYS NZ :NH3+ -139:sc= 0.0594 (180deg=-2.14!) USER MOD Single : B 6 ASN : amide:sc= -2.39! X(o=-2.4!,f=-1.9) USER MOD Single : B 32 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 33 SER OG : rot 91:sc= 0.0615 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 160:sc= -1.87 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0449 F(o=-0.72,f=-0.045) USER MOD Single : B 49 LYS NZ :NH3+ 159:sc= -2.18 (180deg=-2.58!) USER MOD Single : B 50 LYS NZ :NH3+ 148:sc= -1.81 (180deg=-3.57!) USER MOD Single : B 58 LYS NZ :NH3+ -164:sc= 2.21 (180deg=1.75) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.748 -17.408 3.808 1.00 0.00 N ATOM 2 CA VAL A 1 10.902 -16.049 4.405 1.00 0.00 C ATOM 3 C VAL A 1 9.561 -15.591 4.977 1.00 0.00 C ATOM 4 O VAL A 1 8.500 -15.962 4.468 1.00 0.00 O ATOM 5 CB VAL A 1 11.392 -15.056 3.333 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.844 -15.376 2.954 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.506 -15.149 2.078 1.00 0.00 C ATOM 0 H1 VAL A 1 11.291 -17.462 2.922 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.103 -18.123 4.475 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.743 -17.588 3.610 1.00 0.00 H new ATOM 0 HA VAL A 1 11.639 -16.086 5.207 1.00 0.00 H new ATOM 0 HB VAL A 1 11.334 -14.046 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.186 -14.671 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.477 -15.294 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 1 12.902 -16.390 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.862 -14.443 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.552 -16.161 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.476 -14.910 2.341 1.00 0.00 H new ATOM 19 N ASP A 2 9.620 -14.783 6.036 1.00 0.00 N ATOM 20 CA ASP A 2 8.409 -14.274 6.678 1.00 0.00 C ATOM 21 C ASP A 2 7.774 -13.170 5.835 1.00 0.00 C ATOM 22 O ASP A 2 8.456 -12.236 5.403 1.00 0.00 O ATOM 23 CB ASP A 2 8.747 -13.727 8.069 1.00 0.00 C ATOM 24 CG ASP A 2 9.354 -14.833 8.930 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.605 -15.685 9.381 1.00 0.00 O ATOM 26 OD2 ASP A 2 10.559 -14.818 9.119 1.00 0.00 O ATOM 0 H ASP A 2 10.490 -14.468 6.466 1.00 0.00 H new ATOM 0 HA ASP A 2 7.698 -15.095 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.447 -12.896 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.847 -13.337 8.544 1.00 0.00 H new ATOM 31 N ASN A 3 6.465 -13.285 5.614 1.00 0.00 N ATOM 32 CA ASN A 3 5.727 -12.294 4.829 1.00 0.00 C ATOM 33 C ASN A 3 5.255 -11.141 5.719 1.00 0.00 C ATOM 34 O ASN A 3 4.508 -10.272 5.268 1.00 0.00 O ATOM 35 CB ASN A 3 4.520 -12.962 4.154 1.00 0.00 C ATOM 36 CG ASN A 3 3.496 -13.399 5.201 1.00 0.00 C ATOM 37 OD1 ASN A 3 2.514 -12.697 5.444 1.00 0.00 O ATOM 38 ND2 ASN A 3 3.672 -14.521 5.843 1.00 0.00 N ATOM 0 H ASN A 3 5.894 -14.053 5.967 1.00 0.00 H new ATOM 0 HA ASN A 3 6.392 -11.890 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.058 -12.268 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.850 -13.826 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.996 -14.817 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.486 -15.102 5.641 1.00 0.00 H new ATOM 45 N LYS A 4 5.694 -11.144 6.982 1.00 0.00 N ATOM 46 CA LYS A 4 5.310 -10.106 7.935 1.00 0.00 C ATOM 47 C LYS A 4 5.675 -8.718 7.408 1.00 0.00 C ATOM 48 O LYS A 4 4.872 -7.795 7.489 1.00 0.00 O ATOM 49 CB LYS A 4 6.030 -10.360 9.268 1.00 0.00 C ATOM 50 CG LYS A 4 5.639 -9.295 10.308 1.00 0.00 C ATOM 51 CD LYS A 4 6.904 -8.769 11.004 1.00 0.00 C ATOM 52 CE LYS A 4 7.617 -7.736 10.115 1.00 0.00 C ATOM 53 NZ LYS A 4 6.690 -6.612 9.796 1.00 0.00 N ATOM 0 H LYS A 4 6.316 -11.856 7.365 1.00 0.00 H new ATOM 0 HA LYS A 4 4.230 -10.141 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.775 -11.352 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.109 -10.346 9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.110 -8.475 9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.958 -9.723 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.639 -8.315 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.578 -9.598 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.502 -7.355 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.958 -8.210 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.230 -5.822 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.977 -6.934 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.216 -6.295 10.666 1.00 0.00 H new ATOM 67 N PHE A 5 6.886 -8.588 6.873 1.00 0.00 N ATOM 68 CA PHE A 5 7.362 -7.313 6.334 1.00 0.00 C ATOM 69 C PHE A 5 6.473 -6.840 5.198 1.00 0.00 C ATOM 70 O PHE A 5 6.035 -5.697 5.179 1.00 0.00 O ATOM 71 CB PHE A 5 8.765 -7.502 5.773 1.00 0.00 C ATOM 72 CG PHE A 5 9.715 -6.437 6.269 1.00 0.00 C ATOM 73 CD1 PHE A 5 10.299 -6.576 7.535 1.00 0.00 C ATOM 74 CD2 PHE A 5 10.048 -5.336 5.455 1.00 0.00 C ATOM 75 CE1 PHE A 5 11.206 -5.623 7.996 1.00 0.00 C ATOM 76 CE2 PHE A 5 10.967 -4.388 5.924 1.00 0.00 C ATOM 77 CZ PHE A 5 11.541 -4.533 7.192 1.00 0.00 C ATOM 0 H PHE A 5 7.559 -9.351 6.800 1.00 0.00 H new ATOM 0 HA PHE A 5 7.351 -6.578 7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.141 -8.485 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.728 -7.477 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 5 10.046 -7.423 8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.599 -5.224 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.649 -5.728 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.233 -3.544 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 5 12.247 -3.798 7.550 1.00 0.00 H new ATOM 87 N ASN A 6 6.234 -7.739 4.244 1.00 0.00 N ATOM 88 CA ASN A 6 5.413 -7.429 3.088 1.00 0.00 C ATOM 89 C ASN A 6 3.991 -7.135 3.517 1.00 0.00 C ATOM 90 O ASN A 6 3.394 -6.155 3.088 1.00 0.00 O ATOM 91 CB ASN A 6 5.432 -8.632 2.153 1.00 0.00 C ATOM 92 CG ASN A 6 4.713 -8.334 0.846 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.673 -7.197 0.413 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.136 -9.304 0.196 1.00 0.00 N ATOM 0 H ASN A 6 6.602 -8.690 4.255 1.00 0.00 H new ATOM 0 HA ASN A 6 5.806 -6.548 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.464 -8.916 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.959 -9.483 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.648 -9.112 -0.679 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.172 -10.255 0.562 1.00 0.00 H new ATOM 101 N LYS A 7 3.471 -7.974 4.402 1.00 0.00 N ATOM 102 CA LYS A 7 2.133 -7.787 4.912 1.00 0.00 C ATOM 103 C LYS A 7 2.090 -6.448 5.630 1.00 0.00 C ATOM 104 O LYS A 7 1.164 -5.677 5.474 1.00 0.00 O ATOM 105 CB LYS A 7 1.783 -8.940 5.868 1.00 0.00 C ATOM 106 CG LYS A 7 0.275 -8.962 6.146 1.00 0.00 C ATOM 107 CD LYS A 7 -0.111 -10.272 6.846 1.00 0.00 C ATOM 108 CE LYS A 7 -0.544 -11.308 5.803 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.942 -12.568 6.489 1.00 0.00 N ATOM 0 H LYS A 7 3.959 -8.787 4.777 1.00 0.00 H new ATOM 0 HA LYS A 7 1.401 -7.789 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.093 -9.890 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.330 -8.825 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.000 -8.112 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.277 -8.863 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.734 -10.651 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.921 -10.093 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.378 -10.922 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.272 -11.502 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.315 -13.241 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.113 -12.983 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.676 -12.361 7.197 1.00 0.00 H new ATOM 123 N GLU A 8 3.138 -6.178 6.391 1.00 0.00 N ATOM 124 CA GLU A 8 3.248 -4.928 7.130 1.00 0.00 C ATOM 125 C GLU A 8 3.399 -3.733 6.195 1.00 0.00 C ATOM 126 O GLU A 8 2.726 -2.715 6.351 1.00 0.00 O ATOM 127 CB GLU A 8 4.450 -5.026 8.072 1.00 0.00 C ATOM 128 CG GLU A 8 4.679 -3.700 8.815 1.00 0.00 C ATOM 129 CD GLU A 8 6.044 -3.712 9.504 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.044 -3.720 8.800 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.072 -3.724 10.724 1.00 0.00 O ATOM 0 H GLU A 8 3.929 -6.810 6.514 1.00 0.00 H new ATOM 0 HA GLU A 8 2.333 -4.771 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.287 -5.827 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.342 -5.286 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.624 -2.867 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.892 -3.547 9.553 1.00 0.00 H new ATOM 138 N LEU A 9 4.267 -3.895 5.218 1.00 0.00 N ATOM 139 CA LEU A 9 4.518 -2.870 4.210 1.00 0.00 C ATOM 140 C LEU A 9 3.216 -2.576 3.498 1.00 0.00 C ATOM 141 O LEU A 9 2.881 -1.422 3.235 1.00 0.00 O ATOM 142 CB LEU A 9 5.579 -3.404 3.241 1.00 0.00 C ATOM 143 CG LEU A 9 5.773 -2.436 2.070 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.527 -1.172 2.484 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.565 -3.127 0.989 1.00 0.00 C ATOM 0 H LEU A 9 4.823 -4.741 5.095 1.00 0.00 H new ATOM 0 HA LEU A 9 4.886 -1.945 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.524 -3.542 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.278 -4.382 2.866 1.00 0.00 H new ATOM 0 HG LEU A 9 4.784 -2.144 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.640 -0.517 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.968 -0.653 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.512 -1.444 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.708 -2.445 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.536 -3.426 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.024 -4.010 0.650 1.00 0.00 H new ATOM 157 N GLY A 10 2.464 -3.627 3.235 1.00 0.00 N ATOM 158 CA GLY A 10 1.189 -3.483 2.611 1.00 0.00 C ATOM 159 C GLY A 10 0.180 -2.946 3.602 1.00 0.00 C ATOM 160 O GLY A 10 -0.713 -2.183 3.247 1.00 0.00 O ATOM 0 H GLY A 10 2.727 -4.589 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.267 -2.808 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.854 -4.446 2.225 1.00 0.00 H new ATOM 164 N TRP A 11 0.292 -3.382 4.852 1.00 0.00 N ATOM 165 CA TRP A 11 -0.668 -2.949 5.834 1.00 0.00 C ATOM 166 C TRP A 11 -0.555 -1.498 6.186 1.00 0.00 C ATOM 167 O TRP A 11 -1.554 -0.776 6.146 1.00 0.00 O ATOM 168 CB TRP A 11 -0.678 -3.803 7.089 1.00 0.00 C ATOM 169 CG TRP A 11 -2.114 -3.910 7.543 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.502 -3.947 8.825 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.361 -3.950 6.737 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.882 -4.048 8.875 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.453 -4.041 7.621 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.652 -3.928 5.345 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.771 -4.102 7.156 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.958 -3.982 4.876 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.026 -4.068 5.778 1.00 0.00 C ATOM 0 H TRP A 11 1.016 -4.014 5.192 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.629 -3.087 5.338 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.264 -4.791 6.886 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.061 -3.352 7.866 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.845 -3.905 9.681 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.415 -4.119 9.742 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.839 -3.868 4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.590 -4.175 7.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.151 -3.958 3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.042 -4.108 5.413 1.00 0.00 H new ATOM 188 N ALA A 12 0.634 -1.061 6.529 1.00 0.00 N ATOM 189 CA ALA A 12 0.811 0.319 6.881 1.00 0.00 C ATOM 190 C ALA A 12 0.347 1.188 5.710 1.00 0.00 C ATOM 191 O ALA A 12 -0.293 2.216 5.905 1.00 0.00 O ATOM 192 CB ALA A 12 2.274 0.583 7.231 1.00 0.00 C ATOM 0 H ALA A 12 1.477 -1.633 6.570 1.00 0.00 H new ATOM 0 HA ALA A 12 0.214 0.567 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.401 1.632 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.565 -0.043 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.902 0.348 6.371 1.00 0.00 H new ATOM 198 N THR A 13 0.625 0.718 4.487 1.00 0.00 N ATOM 199 CA THR A 13 0.196 1.407 3.275 1.00 0.00 C ATOM 200 C THR A 13 -1.317 1.600 3.276 1.00 0.00 C ATOM 201 O THR A 13 -1.798 2.697 3.030 1.00 0.00 O ATOM 202 CB THR A 13 0.621 0.551 2.081 1.00 0.00 C ATOM 203 OG1 THR A 13 1.989 0.780 1.832 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.197 0.890 0.837 1.00 0.00 C ATOM 0 H THR A 13 1.148 -0.141 4.316 1.00 0.00 H new ATOM 0 HA THR A 13 0.654 2.395 3.220 1.00 0.00 H new ATOM 0 HB THR A 13 0.446 -0.499 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.509 0.002 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.129 0.265 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.253 0.708 1.035 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.051 1.939 0.581 1.00 0.00 H new ATOM 212 N TRP A 14 -2.040 0.526 3.572 1.00 0.00 N ATOM 213 CA TRP A 14 -3.506 0.544 3.619 1.00 0.00 C ATOM 214 C TRP A 14 -4.026 1.495 4.692 1.00 0.00 C ATOM 215 O TRP A 14 -4.970 2.252 4.467 1.00 0.00 O ATOM 216 CB TRP A 14 -3.973 -0.866 3.952 1.00 0.00 C ATOM 217 CG TRP A 14 -5.429 -1.064 3.647 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.397 -1.141 4.587 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.100 -1.246 2.361 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.603 -1.393 3.976 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.477 -1.461 2.612 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.669 -1.257 1.012 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.380 -1.685 1.583 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.585 -1.480 -0.012 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.927 -1.696 0.271 1.00 0.00 C ATOM 0 H TRP A 14 -1.631 -0.384 3.787 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.886 0.885 2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.383 -1.586 3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.793 -1.067 5.008 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.247 -1.023 5.650 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.484 -1.514 4.476 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.628 -1.092 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.425 -1.849 1.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.248 -1.485 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.623 -1.874 -0.535 1.00 0.00 H new ATOM 236 N GLU A 15 -3.413 1.410 5.866 1.00 0.00 N ATOM 237 CA GLU A 15 -3.813 2.223 7.009 1.00 0.00 C ATOM 238 C GLU A 15 -3.596 3.715 6.727 1.00 0.00 C ATOM 239 O GLU A 15 -4.461 4.540 7.032 1.00 0.00 O ATOM 240 CB GLU A 15 -3.011 1.760 8.229 1.00 0.00 C ATOM 241 CG GLU A 15 -3.373 0.294 8.545 1.00 0.00 C ATOM 242 CD GLU A 15 -2.406 -0.277 9.582 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.649 -0.083 10.762 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.438 -0.904 9.179 1.00 0.00 O ATOM 0 H GLU A 15 -2.631 0.782 6.053 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.878 2.095 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.943 1.849 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.232 2.395 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.395 0.237 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.334 -0.302 7.633 1.00 0.00 H new ATOM 251 N ILE A 16 -2.461 4.044 6.104 1.00 0.00 N ATOM 252 CA ILE A 16 -2.157 5.435 5.733 1.00 0.00 C ATOM 253 C ILE A 16 -3.148 5.891 4.659 1.00 0.00 C ATOM 254 O ILE A 16 -3.646 7.015 4.669 1.00 0.00 O ATOM 255 CB ILE A 16 -0.726 5.514 5.151 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.315 5.123 6.210 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.426 6.936 4.662 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.685 4.897 5.549 1.00 0.00 C ATOM 0 H ILE A 16 -1.738 3.372 5.846 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.233 6.072 6.614 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.668 4.818 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.391 5.908 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.002 4.216 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.585 6.975 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.140 7.212 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.509 7.633 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.415 4.620 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.606 4.097 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.006 5.814 5.055 1.00 0.00 H new ATOM 270 N PHE A 17 -3.401 4.974 3.734 1.00 0.00 N ATOM 271 CA PHE A 17 -4.307 5.186 2.608 1.00 0.00 C ATOM 272 C PHE A 17 -5.717 5.521 3.086 1.00 0.00 C ATOM 273 O PHE A 17 -6.398 6.371 2.510 1.00 0.00 O ATOM 274 CB PHE A 17 -4.360 3.875 1.835 1.00 0.00 C ATOM 275 CG PHE A 17 -4.735 4.069 0.396 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.076 4.076 0.013 1.00 0.00 C ATOM 277 CD2 PHE A 17 -3.724 4.166 -0.561 1.00 0.00 C ATOM 278 CE1 PHE A 17 -6.412 4.181 -1.336 1.00 0.00 C ATOM 279 CE2 PHE A 17 -4.046 4.262 -1.905 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.389 4.267 -2.300 1.00 0.00 C ATOM 0 H PHE A 17 -2.977 4.047 3.744 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.950 6.017 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.388 3.385 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.081 3.208 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.853 4.000 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.689 4.166 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.448 4.196 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.263 4.333 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.641 4.337 -3.348 1.00 0.00 H new ATOM 290 N ASN A 18 -6.151 4.799 4.117 1.00 0.00 N ATOM 291 CA ASN A 18 -7.495 4.954 4.664 1.00 0.00 C ATOM 292 C ASN A 18 -7.581 6.030 5.748 1.00 0.00 C ATOM 293 O ASN A 18 -8.639 6.185 6.367 1.00 0.00 O ATOM 294 CB ASN A 18 -7.967 3.607 5.226 1.00 0.00 C ATOM 295 CG ASN A 18 -8.015 2.552 4.117 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.946 2.878 2.930 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.132 1.297 4.436 1.00 0.00 N ATOM 0 H ASN A 18 -5.586 4.096 4.593 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.142 5.281 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.293 3.280 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.955 3.719 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.166 0.586 3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.189 1.023 5.417 1.00 0.00 H new ATOM 304 N LEU A 19 -6.500 6.786 5.981 1.00 0.00 N ATOM 305 CA LEU A 19 -6.556 7.832 6.997 1.00 0.00 C ATOM 306 C LEU A 19 -7.509 8.930 6.517 1.00 0.00 C ATOM 307 O LEU A 19 -7.474 9.304 5.342 1.00 0.00 O ATOM 308 CB LEU A 19 -5.172 8.418 7.277 1.00 0.00 C ATOM 309 CG LEU A 19 -4.545 7.753 8.518 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.163 8.322 8.728 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.356 8.042 9.782 1.00 0.00 C ATOM 0 H LEU A 19 -5.607 6.695 5.496 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.918 7.399 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.526 8.269 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.251 9.494 7.434 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.522 6.677 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.708 7.859 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.549 8.119 7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.232 9.399 8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.884 7.557 10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.395 9.118 9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.369 7.657 9.661 1.00 0.00 H new ATOM 323 N PRO A 20 -8.387 9.416 7.366 1.00 0.00 N ATOM 324 CA PRO A 20 -9.402 10.438 6.986 1.00 0.00 C ATOM 325 C PRO A 20 -8.900 11.887 6.942 1.00 0.00 C ATOM 326 O PRO A 20 -9.733 12.799 6.944 1.00 0.00 O ATOM 327 CB PRO A 20 -10.487 10.286 8.078 1.00 0.00 C ATOM 328 CG PRO A 20 -10.035 9.191 8.988 1.00 0.00 C ATOM 329 CD PRO A 20 -8.539 9.068 8.786 1.00 0.00 C ATOM 0 HA PRO A 20 -9.739 10.262 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.614 11.218 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.452 10.045 7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.270 9.425 10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.539 8.254 8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.984 9.747 9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.181 8.061 8.999 1.00 0.00 H new ATOM 337 N ASN A 21 -7.577 12.138 6.920 1.00 0.00 N ATOM 338 CA ASN A 21 -7.130 13.547 6.904 1.00 0.00 C ATOM 339 C ASN A 21 -5.865 13.783 6.082 1.00 0.00 C ATOM 340 O ASN A 21 -5.430 14.928 5.941 1.00 0.00 O ATOM 341 CB ASN A 21 -6.911 14.041 8.339 1.00 0.00 C ATOM 342 CG ASN A 21 -8.211 13.961 9.134 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.447 12.917 9.879 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.038 14.869 9.066 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.838 11.435 6.913 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.925 14.113 6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.143 13.439 8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.549 15.069 8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.852 15.685 8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.909 14.806 9.593 1.00 0.00 H new ATOM 351 N LEU A 22 -5.280 12.725 5.537 1.00 0.00 N ATOM 352 CA LEU A 22 -4.066 12.879 4.734 1.00 0.00 C ATOM 353 C LEU A 22 -4.379 13.346 3.324 1.00 0.00 C ATOM 354 O LEU A 22 -5.447 13.050 2.782 1.00 0.00 O ATOM 355 CB LEU A 22 -3.306 11.562 4.663 1.00 0.00 C ATOM 356 CG LEU A 22 -2.890 11.130 6.067 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.131 9.822 5.976 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.975 12.178 6.694 1.00 0.00 C ATOM 0 H LEU A 22 -5.615 11.766 5.631 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.453 13.637 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.931 10.795 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.425 11.673 4.031 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.783 11.015 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.830 9.506 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.771 9.060 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.245 9.958 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.686 11.857 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.083 12.296 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.502 13.130 6.756 1.00 0.00 H new ATOM 370 N ASN A 23 -3.422 14.061 2.729 1.00 0.00 N ATOM 371 CA ASN A 23 -3.579 14.552 1.368 1.00 0.00 C ATOM 372 C ASN A 23 -2.994 13.517 0.404 1.00 0.00 C ATOM 373 O ASN A 23 -2.152 12.708 0.800 1.00 0.00 O ATOM 374 CB ASN A 23 -2.906 15.936 1.225 1.00 0.00 C ATOM 375 CG ASN A 23 -1.496 15.832 0.647 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.337 15.656 -0.551 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.460 15.942 1.425 1.00 0.00 N ATOM 0 H ASN A 23 -2.536 14.309 3.170 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.633 14.687 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.515 16.570 0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.863 16.420 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.480 15.881 1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.587 16.089 2.426 1.00 0.00 H new ATOM 384 N GLY A 24 -3.461 13.532 -0.844 1.00 0.00 N ATOM 385 CA GLY A 24 -3.000 12.568 -1.848 1.00 0.00 C ATOM 386 C GLY A 24 -1.477 12.425 -1.855 1.00 0.00 C ATOM 387 O GLY A 24 -0.956 11.312 -1.903 1.00 0.00 O ATOM 0 H GLY A 24 -4.155 14.197 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.454 11.596 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.338 12.884 -2.835 1.00 0.00 H new ATOM 391 N VAL A 25 -0.776 13.555 -1.795 1.00 0.00 N ATOM 392 CA VAL A 25 0.684 13.551 -1.791 1.00 0.00 C ATOM 393 C VAL A 25 1.236 12.946 -0.513 1.00 0.00 C ATOM 394 O VAL A 25 2.166 12.149 -0.575 1.00 0.00 O ATOM 395 CB VAL A 25 1.225 14.972 -1.958 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.759 14.953 -1.923 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.749 15.521 -3.302 1.00 0.00 C ATOM 0 H VAL A 25 -1.195 14.484 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 25 1.009 12.937 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 25 0.862 15.603 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.138 15.968 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.096 14.550 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.134 14.328 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.127 16.535 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.120 14.886 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.341 15.534 -3.324 1.00 0.00 H new ATOM 407 N GLN A 26 0.678 13.319 0.645 1.00 0.00 N ATOM 408 CA GLN A 26 1.177 12.766 1.898 1.00 0.00 C ATOM 409 C GLN A 26 0.997 11.258 1.911 1.00 0.00 C ATOM 410 O GLN A 26 1.920 10.530 2.269 1.00 0.00 O ATOM 411 CB GLN A 26 0.478 13.412 3.095 1.00 0.00 C ATOM 412 CG GLN A 26 1.416 14.464 3.712 1.00 0.00 C ATOM 413 CD GLN A 26 0.603 15.535 4.412 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.179 15.187 5.379 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.679 16.712 4.064 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.094 13.980 0.736 1.00 0.00 H new ATOM 0 HA GLN A 26 2.241 12.988 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.456 13.878 2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.222 12.655 3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.093 13.988 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.033 14.914 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.299 16.979 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.122 17.422 4.540 1.00 0.00 H new ATOM 424 N VAL A 27 -0.171 10.793 1.471 1.00 0.00 N ATOM 425 CA VAL A 27 -0.421 9.355 1.410 1.00 0.00 C ATOM 426 C VAL A 27 0.575 8.717 0.446 1.00 0.00 C ATOM 427 O VAL A 27 1.217 7.719 0.768 1.00 0.00 O ATOM 428 CB VAL A 27 -1.856 9.074 0.940 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.076 7.560 0.854 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.855 9.672 1.939 1.00 0.00 C ATOM 0 H VAL A 27 -0.945 11.378 1.157 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.298 8.929 2.406 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.008 9.526 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.094 7.359 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.370 7.129 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.921 7.113 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.872 9.470 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.702 9.222 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.702 10.749 2.006 1.00 0.00 H new ATOM 440 N LYS A 28 0.713 9.339 -0.723 1.00 0.00 N ATOM 441 CA LYS A 28 1.649 8.877 -1.743 1.00 0.00 C ATOM 442 C LYS A 28 3.076 8.893 -1.208 1.00 0.00 C ATOM 443 O LYS A 28 3.887 8.046 -1.569 1.00 0.00 O ATOM 444 CB LYS A 28 1.557 9.768 -2.998 1.00 0.00 C ATOM 445 CG LYS A 28 0.305 9.415 -3.816 1.00 0.00 C ATOM 446 CD LYS A 28 0.021 10.525 -4.840 1.00 0.00 C ATOM 447 CE LYS A 28 1.202 10.666 -5.812 1.00 0.00 C ATOM 448 NZ LYS A 28 0.817 11.570 -6.932 1.00 0.00 N ATOM 0 H LYS A 28 0.184 10.170 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 28 1.383 7.854 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.524 10.817 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.449 9.637 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.451 8.464 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.551 9.292 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.889 10.295 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.150 11.470 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.071 11.066 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.486 9.688 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.417 11.374 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.180 11.408 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.944 12.560 -6.639 1.00 0.00 H new ATOM 462 N ALA A 29 3.369 9.875 -0.357 1.00 0.00 N ATOM 463 CA ALA A 29 4.693 10.023 0.223 1.00 0.00 C ATOM 464 C ALA A 29 4.970 8.927 1.211 1.00 0.00 C ATOM 465 O ALA A 29 6.056 8.351 1.222 1.00 0.00 O ATOM 466 CB ALA A 29 4.798 11.351 0.946 1.00 0.00 C ATOM 0 H ALA A 29 2.699 10.582 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 29 5.418 9.974 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.794 11.453 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.623 12.164 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.053 11.393 1.740 1.00 0.00 H new ATOM 472 N PHE A 30 3.976 8.636 2.036 1.00 0.00 N ATOM 473 CA PHE A 30 4.113 7.603 3.010 1.00 0.00 C ATOM 474 C PHE A 30 4.295 6.293 2.273 1.00 0.00 C ATOM 475 O PHE A 30 5.137 5.478 2.648 1.00 0.00 O ATOM 476 CB PHE A 30 2.890 7.572 3.923 1.00 0.00 C ATOM 477 CG PHE A 30 2.775 8.877 4.701 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.893 9.400 5.379 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.549 9.574 4.749 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.782 10.594 6.086 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.453 10.768 5.461 1.00 0.00 C ATOM 482 CZ PHE A 30 2.566 11.274 6.127 1.00 0.00 C ATOM 0 H PHE A 30 3.072 9.109 2.038 1.00 0.00 H new ATOM 0 HA PHE A 30 4.979 7.783 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.989 7.414 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.966 6.734 4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.836 8.875 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.685 9.182 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.641 10.995 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.515 11.301 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.487 12.199 6.679 1.00 0.00 H new ATOM 492 N ILE A 31 3.549 6.135 1.169 1.00 0.00 N ATOM 493 CA ILE A 31 3.691 4.950 0.349 1.00 0.00 C ATOM 494 C ILE A 31 5.075 4.943 -0.272 1.00 0.00 C ATOM 495 O ILE A 31 5.745 3.928 -0.270 1.00 0.00 O ATOM 496 CB ILE A 31 2.610 4.878 -0.755 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.234 4.627 -0.104 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.927 3.737 -1.760 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.141 4.526 -1.173 1.00 0.00 C ATOM 0 H ILE A 31 2.856 6.807 0.838 1.00 0.00 H new ATOM 0 HA ILE A 31 3.559 4.074 0.985 1.00 0.00 H new ATOM 0 HB ILE A 31 2.598 5.823 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.265 3.707 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.000 5.436 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.154 3.704 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.895 3.921 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.955 2.784 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.822 4.349 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.099 5.456 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.367 3.701 -1.848 1.00 0.00 H new ATOM 511 N ASP A 32 5.491 6.092 -0.786 1.00 0.00 N ATOM 512 CA ASP A 32 6.804 6.212 -1.416 1.00 0.00 C ATOM 513 C ASP A 32 7.913 5.866 -0.430 1.00 0.00 C ATOM 514 O ASP A 32 8.871 5.164 -0.764 1.00 0.00 O ATOM 515 CB ASP A 32 7.004 7.632 -1.957 1.00 0.00 C ATOM 516 CG ASP A 32 8.277 7.695 -2.801 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.203 7.366 -3.974 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.307 8.063 -2.260 1.00 0.00 O ATOM 0 H ASP A 32 4.943 6.952 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 32 6.850 5.506 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.144 7.925 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.071 8.339 -1.130 1.00 0.00 H new ATOM 523 N SER A 33 7.746 6.347 0.787 1.00 0.00 N ATOM 524 CA SER A 33 8.695 6.087 1.862 1.00 0.00 C ATOM 525 C SER A 33 8.665 4.603 2.220 1.00 0.00 C ATOM 526 O SER A 33 9.696 3.992 2.494 1.00 0.00 O ATOM 527 CB SER A 33 8.323 6.938 3.072 1.00 0.00 C ATOM 528 OG SER A 33 8.460 8.313 2.738 1.00 0.00 O ATOM 0 H SER A 33 6.953 6.927 1.062 1.00 0.00 H new ATOM 0 HA SER A 33 9.704 6.347 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.299 6.727 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.966 6.691 3.917 1.00 0.00 H new ATOM 0 HG SER A 33 7.705 8.591 2.179 1.00 0.00 H new ATOM 534 N LEU A 34 7.459 4.041 2.173 1.00 0.00 N ATOM 535 CA LEU A 34 7.227 2.622 2.441 1.00 0.00 C ATOM 536 C LEU A 34 8.033 1.772 1.458 1.00 0.00 C ATOM 537 O LEU A 34 8.791 0.891 1.858 1.00 0.00 O ATOM 538 CB LEU A 34 5.732 2.357 2.243 1.00 0.00 C ATOM 539 CG LEU A 34 4.987 2.257 3.572 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.670 3.032 3.510 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.672 0.799 3.832 1.00 0.00 C ATOM 0 H LEU A 34 6.610 4.559 1.947 1.00 0.00 H new ATOM 0 HA LEU A 34 7.535 2.366 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.298 3.158 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.599 1.432 1.683 1.00 0.00 H new ATOM 0 HG LEU A 34 5.609 2.675 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.154 2.949 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.875 4.081 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.041 2.619 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.139 0.705 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.050 0.412 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.600 0.229 3.880 1.00 0.00 H new ATOM 553 N ARG A 35 7.861 2.063 0.171 1.00 0.00 N ATOM 554 CA ARG A 35 8.587 1.333 -0.891 1.00 0.00 C ATOM 555 C ARG A 35 10.094 1.481 -0.688 1.00 0.00 C ATOM 556 O ARG A 35 10.846 0.507 -0.762 1.00 0.00 O ATOM 557 CB ARG A 35 8.262 1.868 -2.303 1.00 0.00 C ATOM 558 CG ARG A 35 7.034 2.773 -2.276 1.00 0.00 C ATOM 559 CD ARG A 35 6.576 3.140 -3.689 1.00 0.00 C ATOM 560 NE ARG A 35 5.730 2.090 -4.220 1.00 0.00 N ATOM 561 CZ ARG A 35 6.237 1.087 -4.903 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.509 1.224 -6.167 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.478 -0.026 -4.295 1.00 0.00 N ATOM 0 H ARG A 35 7.233 2.791 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 35 8.270 0.292 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.117 2.421 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.088 1.033 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.223 2.271 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.263 3.682 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.031 4.084 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.442 3.284 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 35 4.723 2.130 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.329 2.113 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.902 0.443 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.275 -0.118 -3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.871 -0.814 -4.810 1.00 0.00 H new ATOM 577 N ASP A 36 10.511 2.724 -0.438 1.00 0.00 N ATOM 578 CA ASP A 36 11.917 3.051 -0.226 1.00 0.00 C ATOM 579 C ASP A 36 12.449 2.342 1.007 1.00 0.00 C ATOM 580 O ASP A 36 13.609 1.928 1.052 1.00 0.00 O ATOM 581 CB ASP A 36 12.072 4.560 -0.058 1.00 0.00 C ATOM 582 CG ASP A 36 13.552 4.944 -0.031 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.118 5.118 -1.097 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.096 5.054 1.057 1.00 0.00 O ATOM 0 H ASP A 36 9.885 3.527 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 36 12.488 2.719 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.571 5.077 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.590 4.881 0.865 1.00 0.00 H new ATOM 589 N ASP A 37 11.581 2.215 2.003 1.00 0.00 N ATOM 590 CA ASP A 37 11.943 1.561 3.249 1.00 0.00 C ATOM 591 C ASP A 37 10.709 0.976 3.923 1.00 0.00 C ATOM 592 O ASP A 37 9.949 1.686 4.587 1.00 0.00 O ATOM 593 CB ASP A 37 12.646 2.555 4.187 1.00 0.00 C ATOM 594 CG ASP A 37 13.304 1.808 5.348 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.587 1.166 6.097 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.514 1.886 5.471 1.00 0.00 O ATOM 0 H ASP A 37 10.621 2.558 1.970 1.00 0.00 H new ATOM 0 HA ASP A 37 12.631 0.746 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.398 3.119 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.925 3.277 4.571 1.00 0.00 H new ATOM 601 N PRO A 38 10.498 -0.308 3.758 1.00 0.00 N ATOM 602 CA PRO A 38 9.336 -1.008 4.356 1.00 0.00 C ATOM 603 C PRO A 38 9.456 -1.161 5.870 1.00 0.00 C ATOM 604 O PRO A 38 8.449 -1.224 6.571 1.00 0.00 O ATOM 605 CB PRO A 38 9.302 -2.365 3.662 1.00 0.00 C ATOM 606 CG PRO A 38 10.435 -2.410 2.687 1.00 0.00 C ATOM 607 CD PRO A 38 11.345 -1.230 2.986 1.00 0.00 C ATOM 0 HA PRO A 38 8.417 -0.441 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.394 -3.169 4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.351 -2.508 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.982 -3.348 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.062 -2.357 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.222 -1.538 3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.708 -0.765 2.070 1.00 0.00 H new ATOM 615 N SER A 39 10.688 -1.201 6.369 1.00 0.00 N ATOM 616 CA SER A 39 10.913 -1.313 7.810 1.00 0.00 C ATOM 617 C SER A 39 10.313 -0.085 8.484 1.00 0.00 C ATOM 618 O SER A 39 9.890 -0.127 9.640 1.00 0.00 O ATOM 619 CB SER A 39 12.419 -1.411 8.121 1.00 0.00 C ATOM 620 OG SER A 39 12.955 -0.123 8.406 1.00 0.00 O ATOM 0 H SER A 39 11.538 -1.158 5.806 1.00 0.00 H new ATOM 0 HA SER A 39 10.438 -2.219 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.578 -2.074 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.944 -1.850 7.272 1.00 0.00 H new ATOM 0 HG SER A 39 13.066 0.377 7.571 1.00 0.00 H new ATOM 626 N GLN A 40 10.281 1.005 7.717 1.00 0.00 N ATOM 627 CA GLN A 40 9.737 2.267 8.182 1.00 0.00 C ATOM 628 C GLN A 40 8.230 2.340 7.945 1.00 0.00 C ATOM 629 O GLN A 40 7.598 3.312 8.318 1.00 0.00 O ATOM 630 CB GLN A 40 10.429 3.431 7.450 1.00 0.00 C ATOM 631 CG GLN A 40 11.481 4.085 8.355 1.00 0.00 C ATOM 632 CD GLN A 40 12.542 3.066 8.774 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.345 2.322 9.735 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.659 2.989 8.109 1.00 0.00 N ATOM 0 H GLN A 40 10.632 1.031 6.760 1.00 0.00 H new ATOM 0 HA GLN A 40 9.920 2.341 9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.902 3.065 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.688 4.172 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.954 4.915 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.999 4.500 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.822 3.605 7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.371 2.312 8.384 1.00 0.00 H new ATOM 643 N SER A 41 7.655 1.320 7.317 1.00 0.00 N ATOM 644 CA SER A 41 6.221 1.325 7.023 1.00 0.00 C ATOM 645 C SER A 41 5.403 1.677 8.266 1.00 0.00 C ATOM 646 O SER A 41 4.407 2.396 8.183 1.00 0.00 O ATOM 647 CB SER A 41 5.812 -0.072 6.553 1.00 0.00 C ATOM 648 OG SER A 41 5.959 -0.992 7.628 1.00 0.00 O ATOM 0 H SER A 41 8.151 0.486 7.003 1.00 0.00 H new ATOM 0 HA SER A 41 6.028 2.073 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.779 -0.063 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.430 -0.380 5.709 1.00 0.00 H new ATOM 0 HG SER A 41 6.857 -1.383 7.603 1.00 0.00 H new ATOM 654 N ALA A 42 5.859 1.189 9.411 1.00 0.00 N ATOM 655 CA ALA A 42 5.208 1.462 10.684 1.00 0.00 C ATOM 656 C ALA A 42 5.366 2.926 11.038 1.00 0.00 C ATOM 657 O ALA A 42 4.452 3.571 11.547 1.00 0.00 O ATOM 658 CB ALA A 42 5.892 0.646 11.767 1.00 0.00 C ATOM 0 H ALA A 42 6.686 0.596 9.484 1.00 0.00 H new ATOM 0 HA ALA A 42 4.151 1.207 10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.414 0.841 12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.810 -0.415 11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.944 0.925 11.823 1.00 0.00 H new ATOM 664 N ASN A 43 6.563 3.417 10.762 1.00 0.00 N ATOM 665 CA ASN A 43 6.929 4.786 11.031 1.00 0.00 C ATOM 666 C ASN A 43 6.154 5.742 10.137 1.00 0.00 C ATOM 667 O ASN A 43 5.798 6.839 10.535 1.00 0.00 O ATOM 668 CB ASN A 43 8.423 4.930 10.767 1.00 0.00 C ATOM 669 CG ASN A 43 9.227 4.502 11.991 1.00 0.00 C ATOM 670 OD1 ASN A 43 10.016 3.466 11.912 1.00 0.00 O flip ATOM 671 ND2 ASN A 43 9.135 5.128 13.047 1.00 0.00 N flip ATOM 0 H ASN A 43 7.311 2.866 10.341 1.00 0.00 H new ATOM 0 HA ASN A 43 6.692 5.033 12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.706 4.322 9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.656 5.965 10.516 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.518 5.938 13.108 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.676 4.837 13.861 1.00 0.00 H new ATOM 678 N LEU A 44 5.916 5.290 8.924 1.00 0.00 N ATOM 679 CA LEU A 44 5.199 6.048 7.912 1.00 0.00 C ATOM 680 C LEU A 44 3.751 6.069 8.253 1.00 0.00 C ATOM 681 O LEU A 44 3.067 7.082 8.133 1.00 0.00 O ATOM 682 CB LEU A 44 5.478 5.368 6.586 1.00 0.00 C ATOM 683 CG LEU A 44 6.993 5.414 6.420 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.467 4.433 5.367 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.368 6.831 6.076 1.00 0.00 C ATOM 0 H LEU A 44 6.219 4.370 8.605 1.00 0.00 H new ATOM 0 HA LEU A 44 5.521 7.088 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.114 4.341 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.977 5.883 5.767 1.00 0.00 H new ATOM 0 HG LEU A 44 7.484 5.114 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.551 4.493 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.183 3.422 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.008 4.678 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.448 6.901 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.875 7.123 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.053 7.496 6.880 1.00 0.00 H new ATOM 697 N LEU A 45 3.336 4.944 8.760 1.00 0.00 N ATOM 698 CA LEU A 45 1.989 4.783 9.249 1.00 0.00 C ATOM 699 C LEU A 45 1.838 5.713 10.444 1.00 0.00 C ATOM 700 O LEU A 45 0.817 6.365 10.630 1.00 0.00 O ATOM 701 CB LEU A 45 1.765 3.321 9.643 1.00 0.00 C ATOM 702 CG LEU A 45 0.503 3.171 10.500 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.712 3.747 9.764 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.291 1.686 10.790 1.00 0.00 C ATOM 0 H LEU A 45 3.918 4.111 8.848 1.00 0.00 H new ATOM 0 HA LEU A 45 1.247 5.033 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.675 2.708 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.630 2.953 10.195 1.00 0.00 H new ATOM 0 HG LEU A 45 0.622 3.719 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.601 3.633 10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.545 4.804 9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.855 3.213 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.604 1.558 11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.170 1.146 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.155 1.293 11.326 1.00 0.00 H new ATOM 716 N ALA A 46 2.909 5.785 11.218 1.00 0.00 N ATOM 717 CA ALA A 46 2.962 6.648 12.381 1.00 0.00 C ATOM 718 C ALA A 46 2.906 8.096 11.950 1.00 0.00 C ATOM 719 O ALA A 46 2.157 8.902 12.500 1.00 0.00 O ATOM 720 CB ALA A 46 4.273 6.428 13.129 1.00 0.00 C ATOM 0 H ALA A 46 3.761 5.248 11.057 1.00 0.00 H new ATOM 0 HA ALA A 46 2.115 6.413 13.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.307 7.079 14.002 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.339 5.388 13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.111 6.659 12.471 1.00 0.00 H new ATOM 726 N GLU A 47 3.708 8.392 10.939 1.00 0.00 N ATOM 727 CA GLU A 47 3.786 9.712 10.377 1.00 0.00 C ATOM 728 C GLU A 47 2.454 10.094 9.796 1.00 0.00 C ATOM 729 O GLU A 47 2.033 11.234 9.883 1.00 0.00 O ATOM 730 CB GLU A 47 4.813 9.704 9.256 1.00 0.00 C ATOM 731 CG GLU A 47 6.238 9.825 9.790 1.00 0.00 C ATOM 732 CD GLU A 47 6.386 11.056 10.692 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.049 12.142 10.247 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.836 10.892 11.815 1.00 0.00 O ATOM 0 H GLU A 47 4.322 7.713 10.490 1.00 0.00 H new ATOM 0 HA GLU A 47 4.067 10.422 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.717 8.782 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.610 10.528 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.497 8.927 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.937 9.894 8.957 1.00 0.00 H new ATOM 741 N ALA A 48 1.803 9.114 9.206 1.00 0.00 N ATOM 742 CA ALA A 48 0.523 9.320 8.606 1.00 0.00 C ATOM 743 C ALA A 48 -0.503 9.592 9.682 1.00 0.00 C ATOM 744 O ALA A 48 -1.274 10.534 9.578 1.00 0.00 O ATOM 745 CB ALA A 48 0.176 8.079 7.826 1.00 0.00 C ATOM 0 H ALA A 48 2.154 8.159 9.134 1.00 0.00 H new ATOM 0 HA ALA A 48 0.537 10.180 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.799 8.206 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.931 7.909 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.145 7.223 8.500 1.00 0.00 H new ATOM 751 N LYS A 49 -0.469 8.785 10.740 1.00 0.00 N ATOM 752 CA LYS A 49 -1.370 8.987 11.865 1.00 0.00 C ATOM 753 C LYS A 49 -1.100 10.359 12.458 1.00 0.00 C ATOM 754 O LYS A 49 -2.009 11.019 12.958 1.00 0.00 O ATOM 755 CB LYS A 49 -1.168 7.895 12.927 1.00 0.00 C ATOM 756 CG LYS A 49 -1.642 6.534 12.386 1.00 0.00 C ATOM 757 CD LYS A 49 -3.176 6.465 12.393 1.00 0.00 C ATOM 758 CE LYS A 49 -3.632 5.101 11.863 1.00 0.00 C ATOM 759 NZ LYS A 49 -5.119 5.020 11.908 1.00 0.00 N ATOM 0 H LYS A 49 0.167 7.994 10.839 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.403 8.927 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.116 7.838 13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.723 8.149 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.269 6.388 11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.232 5.729 12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.552 6.618 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.589 7.263 11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.281 4.961 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.196 4.302 12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.414 4.024 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.463 5.444 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.519 5.536 11.098 1.00 0.00 H new ATOM 773 N LYS A 50 0.164 10.791 12.366 1.00 0.00 N ATOM 774 CA LYS A 50 0.557 12.092 12.862 1.00 0.00 C ATOM 775 C LYS A 50 0.085 13.187 11.928 1.00 0.00 C ATOM 776 O LYS A 50 -0.402 14.228 12.370 1.00 0.00 O ATOM 777 CB LYS A 50 2.079 12.156 13.048 1.00 0.00 C ATOM 778 CG LYS A 50 2.472 11.451 14.354 1.00 0.00 C ATOM 779 CD LYS A 50 3.995 11.518 14.553 1.00 0.00 C ATOM 780 CE LYS A 50 4.626 10.164 14.210 1.00 0.00 C ATOM 781 NZ LYS A 50 6.094 10.222 14.459 1.00 0.00 N ATOM 0 H LYS A 50 0.923 10.250 11.951 1.00 0.00 H new ATOM 0 HA LYS A 50 0.084 12.248 13.832 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.578 11.682 12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.409 13.195 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.966 11.922 15.197 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.146 10.411 14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.419 12.297 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.224 11.785 15.585 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.175 9.377 14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.433 9.915 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.424 9.299 14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.587 10.454 13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.297 10.953 15.170 1.00 0.00 H new ATOM 795 N LEU A 51 0.224 12.933 10.633 1.00 0.00 N ATOM 796 CA LEU A 51 -0.195 13.889 9.629 1.00 0.00 C ATOM 797 C LEU A 51 -1.706 13.969 9.609 1.00 0.00 C ATOM 798 O LEU A 51 -2.286 15.052 9.548 1.00 0.00 O ATOM 799 CB LEU A 51 0.330 13.496 8.240 1.00 0.00 C ATOM 800 CG LEU A 51 1.647 14.224 7.924 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.477 15.740 8.094 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.767 13.713 8.841 1.00 0.00 C ATOM 0 H LEU A 51 0.624 12.073 10.258 1.00 0.00 H new ATOM 0 HA LEU A 51 0.220 14.864 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.487 12.418 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.415 13.740 7.483 1.00 0.00 H new ATOM 0 HG LEU A 51 1.916 14.018 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.419 16.240 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.703 16.098 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.188 15.961 9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.695 14.236 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.498 13.897 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.905 12.643 8.686 1.00 0.00 H new ATOM 814 N ASN A 52 -2.328 12.800 9.689 1.00 0.00 N ATOM 815 CA ASN A 52 -3.764 12.699 9.712 1.00 0.00 C ATOM 816 C ASN A 52 -4.289 13.416 10.934 1.00 0.00 C ATOM 817 O ASN A 52 -5.236 14.189 10.851 1.00 0.00 O ATOM 818 CB ASN A 52 -4.163 11.232 9.780 1.00 0.00 C ATOM 819 CG ASN A 52 -5.675 11.098 9.829 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.317 11.064 8.793 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.281 11.023 10.981 1.00 0.00 N ATOM 0 H ASN A 52 -1.845 11.903 9.739 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.181 13.150 8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.772 10.701 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.721 10.769 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.297 10.935 11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.740 11.052 11.845 1.00 0.00 H new ATOM 828 N ASP A 53 -3.643 13.153 12.068 1.00 0.00 N ATOM 829 CA ASP A 53 -4.031 13.780 13.315 1.00 0.00 C ATOM 830 C ASP A 53 -3.832 15.288 13.227 1.00 0.00 C ATOM 831 O ASP A 53 -4.685 16.065 13.658 1.00 0.00 O ATOM 832 CB ASP A 53 -3.222 13.207 14.481 1.00 0.00 C ATOM 833 CG ASP A 53 -3.503 13.994 15.763 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.565 13.806 16.332 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.653 14.781 16.149 1.00 0.00 O ATOM 0 H ASP A 53 -2.853 12.512 12.142 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.086 13.572 13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.477 12.157 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.158 13.247 14.248 1.00 0.00 H new ATOM 840 N ALA A 54 -2.702 15.683 12.647 1.00 0.00 N ATOM 841 CA ALA A 54 -2.385 17.089 12.477 1.00 0.00 C ATOM 842 C ALA A 54 -3.426 17.741 11.574 1.00 0.00 C ATOM 843 O ALA A 54 -3.843 18.877 11.806 1.00 0.00 O ATOM 844 CB ALA A 54 -0.994 17.228 11.856 1.00 0.00 C ATOM 0 H ALA A 54 -1.992 15.044 12.288 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.394 17.585 13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.756 18.284 11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.255 16.766 12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.978 16.733 10.885 1.00 0.00 H new ATOM 850 N GLN A 55 -3.851 16.993 10.552 1.00 0.00 N ATOM 851 CA GLN A 55 -4.858 17.473 9.613 1.00 0.00 C ATOM 852 C GLN A 55 -6.269 17.198 10.140 1.00 0.00 C ATOM 853 O GLN A 55 -7.257 17.646 9.553 1.00 0.00 O ATOM 854 CB GLN A 55 -4.645 16.779 8.268 1.00 0.00 C ATOM 855 CG GLN A 55 -3.385 17.343 7.600 1.00 0.00 C ATOM 856 CD GLN A 55 -2.964 16.451 6.442 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.512 15.259 6.696 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.051 16.844 5.279 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.510 16.052 10.357 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.755 18.551 9.492 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.543 15.703 8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.511 16.933 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.576 18.354 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.577 17.412 8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.406 17.780 5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.768 16.234 4.512 1.00 0.00 H new ATOM 867 N ALA A 56 -6.350 16.467 11.254 1.00 0.00 N ATOM 868 CA ALA A 56 -7.634 16.137 11.871 1.00 0.00 C ATOM 869 C ALA A 56 -8.032 17.222 12.862 1.00 0.00 C ATOM 870 O ALA A 56 -7.196 17.678 13.644 1.00 0.00 O ATOM 871 CB ALA A 56 -7.547 14.787 12.598 1.00 0.00 C ATOM 0 H ALA A 56 -5.539 16.092 11.747 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.387 16.071 11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.511 14.555 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.285 14.006 11.885 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.784 14.840 13.374 1.00 0.00 H new ATOM 877 N PRO A 57 -9.282 17.647 12.836 1.00 0.00 N ATOM 878 CA PRO A 57 -9.815 18.700 13.732 1.00 0.00 C ATOM 879 C PRO A 57 -9.344 18.557 15.169 1.00 0.00 C ATOM 880 O PRO A 57 -9.114 17.453 15.672 1.00 0.00 O ATOM 881 CB PRO A 57 -11.337 18.517 13.663 1.00 0.00 C ATOM 882 CG PRO A 57 -11.583 17.352 12.779 1.00 0.00 C ATOM 883 CD PRO A 57 -10.342 17.204 11.934 1.00 0.00 C ATOM 0 HA PRO A 57 -9.472 19.685 13.416 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.752 18.345 14.656 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.818 19.412 13.268 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.767 16.451 13.363 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.463 17.513 12.156 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.193 16.174 11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.390 17.817 11.034 1.00 0.00 H new ATOM 891 N LYS A 58 -9.216 19.701 15.799 1.00 0.00 N ATOM 892 CA LYS A 58 -8.776 19.789 17.193 1.00 0.00 C ATOM 893 C LYS A 58 -9.580 20.849 17.948 1.00 0.00 C ATOM 894 O LYS A 58 -9.812 21.908 17.383 1.00 0.00 O ATOM 895 CB LYS A 58 -7.291 20.135 17.249 1.00 0.00 C ATOM 896 CG LYS A 58 -6.475 19.041 16.548 1.00 0.00 C ATOM 897 CD LYS A 58 -4.978 19.325 16.706 1.00 0.00 C ATOM 898 CE LYS A 58 -4.168 18.320 15.875 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.519 16.929 16.284 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.950 20.589 19.081 1.00 0.00 O ATOM 0 H LYS A 58 -9.412 20.605 15.369 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.942 18.822 17.667 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.114 21.097 16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.970 20.233 18.286 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.716 18.067 16.973 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.737 19.001 15.491 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.755 20.342 16.382 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.694 19.255 17.756 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.375 18.460 14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.101 18.493 16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.648 16.382 16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.071 16.955 17.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.083 16.479 15.535 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -15.500 -5.366 7.739 1.00 0.00 N ATOM 916 CA VAL B 1 -14.311 -5.558 6.858 1.00 0.00 C ATOM 917 C VAL B 1 -14.765 -6.098 5.502 1.00 0.00 C ATOM 918 O VAL B 1 -15.959 -6.090 5.187 1.00 0.00 O ATOM 919 CB VAL B 1 -13.325 -6.540 7.523 1.00 0.00 C ATOM 920 CG1 VAL B 1 -12.910 -6.010 8.902 1.00 0.00 C ATOM 921 CG2 VAL B 1 -13.981 -7.921 7.680 1.00 0.00 C ATOM 0 H1 VAL B 1 -15.531 -4.381 8.070 1.00 0.00 H new ATOM 0 H2 VAL B 1 -16.366 -5.579 7.204 1.00 0.00 H new ATOM 0 H3 VAL B 1 -15.432 -6.004 8.558 1.00 0.00 H new ATOM 0 HA VAL B 1 -13.807 -4.603 6.709 1.00 0.00 H new ATOM 0 HB VAL B 1 -12.442 -6.633 6.891 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.214 -6.709 9.366 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -12.428 -5.039 8.789 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -13.793 -5.906 9.532 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -13.277 -8.607 8.150 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -14.872 -7.832 8.302 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -14.261 -8.305 6.699 1.00 0.00 H new ATOM 933 N ASP B 2 -13.802 -6.573 4.712 1.00 0.00 N ATOM 934 CA ASP B 2 -14.088 -7.129 3.391 1.00 0.00 C ATOM 935 C ASP B 2 -14.105 -8.659 3.442 1.00 0.00 C ATOM 936 O ASP B 2 -14.204 -9.252 4.518 1.00 0.00 O ATOM 937 CB ASP B 2 -13.023 -6.645 2.391 1.00 0.00 C ATOM 938 CG ASP B 2 -11.649 -7.224 2.747 1.00 0.00 C ATOM 939 OD1 ASP B 2 -11.113 -6.834 3.770 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.157 -8.051 1.994 1.00 0.00 O ATOM 0 H ASP B 2 -12.814 -6.583 4.966 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.072 -6.787 3.069 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -13.301 -6.947 1.381 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -12.978 -5.556 2.398 1.00 0.00 H new ATOM 945 N ASN B 3 -13.999 -9.288 2.268 1.00 0.00 N ATOM 946 CA ASN B 3 -13.990 -10.744 2.166 1.00 0.00 C ATOM 947 C ASN B 3 -12.770 -11.317 2.895 1.00 0.00 C ATOM 948 O ASN B 3 -11.967 -10.566 3.459 1.00 0.00 O ATOM 949 CB ASN B 3 -13.953 -11.148 0.680 1.00 0.00 C ATOM 950 CG ASN B 3 -14.297 -12.628 0.499 1.00 0.00 C ATOM 951 OD1 ASN B 3 -15.040 -13.203 1.296 1.00 0.00 O ATOM 952 ND2 ASN B 3 -13.795 -13.284 -0.511 1.00 0.00 N ATOM 0 H ASN B 3 -13.918 -8.806 1.373 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.891 -11.144 2.630 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.658 -10.537 0.117 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.962 -10.950 0.271 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -14.018 -14.271 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -13.180 -12.810 -1.172 1.00 0.00 H new ATOM 959 N LYS B 4 -12.626 -12.647 2.876 1.00 0.00 N ATOM 960 CA LYS B 4 -11.488 -13.299 3.532 1.00 0.00 C ATOM 961 C LYS B 4 -10.168 -12.765 2.978 1.00 0.00 C ATOM 962 O LYS B 4 -9.098 -13.003 3.546 1.00 0.00 O ATOM 963 CB LYS B 4 -11.559 -14.829 3.365 1.00 0.00 C ATOM 964 CG LYS B 4 -11.735 -15.208 1.880 1.00 0.00 C ATOM 965 CD LYS B 4 -10.632 -16.190 1.443 1.00 0.00 C ATOM 966 CE LYS B 4 -9.280 -15.465 1.338 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.480 -16.055 0.227 1.00 0.00 N ATOM 0 H LYS B 4 -13.276 -13.287 2.419 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.536 -13.068 4.596 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.650 -15.285 3.757 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.391 -15.225 3.948 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.715 -15.660 1.727 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.698 -14.311 1.262 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.559 -17.007 2.160 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.890 -16.632 0.481 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.439 -14.402 1.160 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.735 -15.553 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.486 -16.140 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.853 -16.997 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.541 -15.440 -0.610 1.00 0.00 H new ATOM 981 N PHE B 5 -10.262 -12.038 1.866 1.00 0.00 N ATOM 982 CA PHE B 5 -9.107 -11.458 1.218 1.00 0.00 C ATOM 983 C PHE B 5 -8.522 -10.309 2.016 1.00 0.00 C ATOM 984 O PHE B 5 -7.549 -9.725 1.588 1.00 0.00 O ATOM 985 CB PHE B 5 -9.487 -10.992 -0.190 1.00 0.00 C ATOM 986 CG PHE B 5 -9.559 -12.208 -1.071 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.576 -13.143 -0.870 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.596 -12.415 -2.063 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.630 -14.293 -1.660 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.652 -13.560 -2.858 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.667 -14.502 -2.655 1.00 0.00 C ATOM 0 H PHE B 5 -11.145 -11.840 1.396 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.337 -12.227 1.154 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.446 -10.473 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.749 -10.287 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.320 -12.977 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.810 -11.690 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.413 -15.020 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.913 -13.719 -3.629 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.708 -15.391 -3.267 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.085 -9.995 3.184 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.518 -8.919 4.000 1.00 0.00 C ATOM 1003 C ASN B 6 -7.054 -9.253 4.258 1.00 0.00 C ATOM 1004 O ASN B 6 -6.176 -8.420 4.064 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.276 -8.792 5.330 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.979 -7.442 5.991 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.873 -6.827 6.569 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.772 -6.941 5.940 1.00 0.00 N ATOM 0 H ASN B 6 -9.907 -10.453 3.577 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.606 -7.967 3.477 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.347 -8.890 5.155 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.987 -9.602 5.999 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.574 -6.042 6.379 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -7.029 -7.449 5.461 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.813 -10.508 4.636 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.461 -11.008 4.868 1.00 0.00 C ATOM 1017 C LYS B 7 -4.669 -10.999 3.561 1.00 0.00 C ATOM 1018 O LYS B 7 -3.525 -10.546 3.513 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.553 -12.446 5.407 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.156 -13.075 5.536 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.298 -14.556 5.915 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.936 -15.255 5.834 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.427 -15.194 4.431 1.00 0.00 N ATOM 0 H LYS B 7 -7.545 -11.202 4.789 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.952 -10.370 5.590 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.046 -12.443 6.379 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.168 -13.050 4.740 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.613 -12.979 4.596 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.576 -12.548 6.294 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.701 -14.644 6.924 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.006 -15.044 5.245 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.228 -14.775 6.510 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.028 -16.293 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.994 -16.105 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.216 -14.994 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.715 -14.440 4.352 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.303 -11.527 2.517 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.692 -11.627 1.191 1.00 0.00 C ATOM 1039 C GLU B 8 -4.408 -10.246 0.593 1.00 0.00 C ATOM 1040 O GLU B 8 -3.432 -10.059 -0.138 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.653 -12.387 0.252 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.977 -13.785 0.814 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.697 -14.527 1.211 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.876 -14.767 0.341 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.561 -14.850 2.382 1.00 0.00 O ATOM 0 H GLU B 8 -6.252 -11.897 2.564 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.745 -12.156 1.294 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.574 -11.817 0.129 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.203 -12.483 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.630 -13.690 1.681 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.521 -14.364 0.067 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.285 -9.300 0.901 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.186 -7.943 0.404 1.00 0.00 C ATOM 1054 C ARG B 9 -3.954 -7.252 0.971 1.00 0.00 C ATOM 1055 O ARG B 9 -3.238 -6.563 0.254 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.438 -7.172 0.835 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.386 -5.723 0.334 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.010 -4.808 1.383 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.430 -5.094 1.501 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.095 -4.881 2.631 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -8.625 -5.327 3.760 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.223 -4.232 2.607 1.00 0.00 N ATOM 0 H ARG B 9 -6.090 -9.459 1.508 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.103 -7.965 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.327 -7.665 0.443 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.521 -7.183 1.922 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.354 -5.428 0.144 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.922 -5.632 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.519 -4.954 2.345 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -6.861 -3.765 1.104 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.929 -5.468 0.694 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -7.744 -5.841 3.778 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -9.137 -5.162 4.626 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.595 -3.888 1.722 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.735 -4.067 3.474 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.729 -7.439 2.270 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.601 -6.807 2.948 1.00 0.00 C ATOM 1078 C VAL B 10 -1.291 -7.204 2.280 1.00 0.00 C ATOM 1079 O VAL B 10 -0.387 -6.383 2.131 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.567 -7.215 4.429 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.519 -6.382 5.169 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.957 -7.044 5.078 1.00 0.00 C ATOM 0 H VAL B 10 -4.311 -8.021 2.872 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.724 -5.726 2.879 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.295 -8.268 4.497 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.497 -6.674 6.219 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.538 -6.553 4.725 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.773 -5.325 5.091 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.908 -7.339 6.126 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.265 -6.001 5.009 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.681 -7.671 4.558 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.204 -8.463 1.871 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.009 -8.960 1.206 1.00 0.00 C ATOM 1094 C ILE B 11 0.120 -8.353 -0.190 1.00 0.00 C ATOM 1095 O ILE B 11 1.221 -7.998 -0.609 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.041 -10.489 1.141 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.296 -11.026 2.570 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.302 -11.008 0.592 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.382 -12.387 2.786 1.00 0.00 C ATOM 0 H ILE B 11 -1.944 -9.155 1.988 1.00 0.00 H new ATOM 0 HA ILE B 11 0.866 -8.660 1.782 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.834 -10.832 0.477 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.079 -10.311 3.302 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.369 -11.121 2.739 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.280 -12.097 0.546 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.466 -10.605 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.111 -10.689 1.249 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.183 -12.736 3.799 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.013 -13.108 2.070 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.458 -12.285 2.642 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.010 -8.216 -0.896 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.004 -7.627 -2.228 1.00 0.00 C ATOM 1113 C ALA B 12 -0.596 -6.192 -2.139 1.00 0.00 C ATOM 1114 O ALA B 12 0.239 -5.754 -2.916 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.388 -7.717 -2.856 1.00 0.00 C ATOM 0 H ALA B 12 -1.930 -8.505 -0.564 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.296 -8.176 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.366 -7.272 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.686 -8.763 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.105 -7.180 -2.235 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.151 -5.481 -1.156 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.796 -4.090 -0.958 1.00 0.00 C ATOM 1123 C ILE B 13 0.698 -4.051 -0.771 1.00 0.00 C ATOM 1124 O ILE B 13 1.391 -3.319 -1.447 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.512 -3.540 0.298 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.013 -3.580 0.077 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.130 -2.083 0.567 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.753 -3.451 1.397 1.00 0.00 C ATOM 0 H ILE B 13 -1.838 -5.846 -0.497 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.098 -3.476 -1.807 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.213 -4.158 1.145 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.309 -2.772 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.289 -4.515 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.651 -1.729 1.456 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.054 -2.012 0.724 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.413 -1.469 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.827 -3.482 1.216 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.472 -4.274 2.054 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.492 -2.504 1.870 1.00 0.00 H new ATOM 1140 N GLY B 14 1.177 -4.918 0.106 1.00 0.00 N ATOM 1141 CA GLY B 14 2.595 -5.040 0.371 1.00 0.00 C ATOM 1142 C GLY B 14 3.379 -5.353 -0.881 1.00 0.00 C ATOM 1143 O GLY B 14 4.457 -4.810 -1.088 1.00 0.00 O ATOM 0 H GLY B 14 0.594 -5.553 0.651 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.964 -4.112 0.807 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.760 -5.826 1.108 1.00 0.00 H new ATOM 1147 N GLU B 15 2.843 -6.242 -1.708 1.00 0.00 N ATOM 1148 CA GLU B 15 3.523 -6.630 -2.920 1.00 0.00 C ATOM 1149 C GLU B 15 3.637 -5.428 -3.819 1.00 0.00 C ATOM 1150 O GLU B 15 4.694 -5.195 -4.397 1.00 0.00 O ATOM 1151 CB GLU B 15 2.768 -7.766 -3.595 1.00 0.00 C ATOM 1152 CG GLU B 15 3.645 -8.445 -4.675 1.00 0.00 C ATOM 1153 CD GLU B 15 4.943 -9.010 -4.075 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.921 -9.450 -2.933 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.943 -8.991 -4.772 1.00 0.00 O ATOM 0 H GLU B 15 1.945 -6.701 -1.556 1.00 0.00 H new ATOM 0 HA GLU B 15 4.526 -6.991 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.467 -8.502 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.855 -7.382 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.082 -9.249 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.888 -7.723 -5.455 1.00 0.00 H new ATOM 1162 N ILE B 16 2.565 -4.632 -3.900 1.00 0.00 N ATOM 1163 CA ILE B 16 2.656 -3.414 -4.732 1.00 0.00 C ATOM 1164 C ILE B 16 3.817 -2.568 -4.198 1.00 0.00 C ATOM 1165 O ILE B 16 4.677 -2.106 -4.947 1.00 0.00 O ATOM 1166 CB ILE B 16 1.414 -2.477 -4.657 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.080 -3.225 -4.608 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.407 -1.549 -5.877 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.149 -3.991 -5.897 1.00 0.00 C ATOM 0 H ILE B 16 1.672 -4.788 -3.433 1.00 0.00 H new ATOM 0 HA ILE B 16 2.764 -3.766 -5.758 1.00 0.00 H new ATOM 0 HB ILE B 16 1.505 -1.920 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.074 -3.914 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.734 -2.518 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.539 -0.891 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.317 -0.949 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.360 -2.146 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.102 -4.517 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.165 -3.295 -6.736 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.655 -4.713 -6.039 1.00 0.00 H new ATOM 1181 N MET B 17 3.798 -2.379 -2.880 1.00 0.00 N ATOM 1182 CA MET B 17 4.805 -1.596 -2.170 1.00 0.00 C ATOM 1183 C MET B 17 6.199 -2.224 -2.307 1.00 0.00 C ATOM 1184 O MET B 17 7.204 -1.512 -2.320 1.00 0.00 O ATOM 1185 CB MET B 17 4.398 -1.486 -0.709 1.00 0.00 C ATOM 1186 CG MET B 17 2.965 -0.949 -0.614 1.00 0.00 C ATOM 1187 SD MET B 17 2.896 0.717 -1.266 1.00 0.00 S ATOM 1188 CE MET B 17 3.930 1.441 0.005 1.00 0.00 C ATOM 0 H MET B 17 3.078 -2.768 -2.271 1.00 0.00 H new ATOM 0 HA MET B 17 4.861 -0.600 -2.609 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.464 -2.462 -0.228 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.082 -0.823 -0.179 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.287 -1.596 -1.171 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.632 -0.957 0.424 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.439 2.324 0.414 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.091 0.714 0.801 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.890 1.726 -0.425 1.00 0.00 H new ATOM 1198 N ARG B 18 6.253 -3.557 -2.426 1.00 0.00 N ATOM 1199 CA ARG B 18 7.527 -4.257 -2.591 1.00 0.00 C ATOM 1200 C ARG B 18 8.139 -3.923 -3.945 1.00 0.00 C ATOM 1201 O ARG B 18 9.357 -3.795 -4.067 1.00 0.00 O ATOM 1202 CB ARG B 18 7.333 -5.767 -2.498 1.00 0.00 C ATOM 1203 CG ARG B 18 7.037 -6.194 -1.054 1.00 0.00 C ATOM 1204 CD ARG B 18 8.324 -6.658 -0.349 1.00 0.00 C ATOM 1205 NE ARG B 18 8.811 -7.927 -0.912 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.989 -8.804 -1.490 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.167 -9.507 -0.764 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.005 -8.954 -2.782 1.00 0.00 N ATOM 0 H ARG B 18 5.435 -4.166 -2.411 1.00 0.00 H new ATOM 0 HA ARG B 18 8.193 -3.931 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.513 -6.073 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.229 -6.275 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.597 -5.361 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.304 -7.001 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.094 -5.893 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.134 -6.779 0.717 1.00 0.00 H new ATOM 0 HE ARG B 18 9.807 -8.142 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.151 -9.387 0.249 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.539 -10.177 -1.208 1.00 0.00 H new ATOM 0 HH21 ARG B 18 8.646 -8.401 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.377 -9.624 -3.225 1.00 0.00 H new ATOM 1222 N LEU B 19 7.273 -3.792 -4.959 1.00 0.00 N ATOM 1223 CA LEU B 19 7.711 -3.483 -6.320 1.00 0.00 C ATOM 1224 C LEU B 19 8.466 -2.159 -6.351 1.00 0.00 C ATOM 1225 O LEU B 19 7.869 -1.099 -6.191 1.00 0.00 O ATOM 1226 CB LEU B 19 6.499 -3.409 -7.259 1.00 0.00 C ATOM 1227 CG LEU B 19 5.794 -4.767 -7.362 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.483 -4.614 -8.128 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.671 -5.756 -8.103 1.00 0.00 C ATOM 0 H LEU B 19 6.263 -3.896 -4.858 1.00 0.00 H new ATOM 0 HA LEU B 19 8.379 -4.276 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.798 -2.659 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.822 -3.088 -8.249 1.00 0.00 H new ATOM 0 HG LEU B 19 5.598 -5.131 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.987 -5.582 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.835 -3.911 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.689 -4.239 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.160 -6.716 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.873 -5.382 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.611 -5.882 -7.566 1.00 0.00 H new ATOM 1241 N PRO B 20 9.767 -2.199 -6.538 1.00 0.00 N ATOM 1242 CA PRO B 20 10.614 -0.978 -6.560 1.00 0.00 C ATOM 1243 C PRO B 20 10.560 -0.208 -7.883 1.00 0.00 C ATOM 1244 O PRO B 20 11.305 0.760 -8.055 1.00 0.00 O ATOM 1245 CB PRO B 20 12.034 -1.515 -6.305 1.00 0.00 C ATOM 1246 CG PRO B 20 11.926 -2.996 -6.147 1.00 0.00 C ATOM 1247 CD PRO B 20 10.595 -3.396 -6.753 1.00 0.00 C ATOM 0 HA PRO B 20 10.270 -0.255 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.695 -1.264 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.461 -1.063 -5.410 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.750 -3.501 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.974 -3.279 -5.095 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.689 -3.638 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.174 -4.273 -6.261 1.00 0.00 H new ATOM 1255 N ASN B 21 9.703 -0.634 -8.823 1.00 0.00 N ATOM 1256 CA ASN B 21 9.621 0.046 -10.113 1.00 0.00 C ATOM 1257 C ASN B 21 8.293 0.792 -10.264 1.00 0.00 C ATOM 1258 O ASN B 21 8.221 1.769 -11.009 1.00 0.00 O ATOM 1259 CB ASN B 21 9.782 -0.960 -11.260 1.00 0.00 C ATOM 1260 CG ASN B 21 10.965 -1.901 -11.023 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.839 -1.629 -10.199 1.00 0.00 O ATOM 1262 ND2 ASN B 21 11.045 -3.002 -11.716 1.00 0.00 N ATOM 0 H ASN B 21 9.072 -1.428 -8.714 1.00 0.00 H new ATOM 0 HA ASN B 21 10.432 0.773 -10.155 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.867 -1.544 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.926 -0.423 -12.198 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.831 -3.637 -11.576 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.322 -3.229 -12.399 1.00 0.00 H new ATOM 1269 N LEU B 22 7.241 0.331 -9.567 1.00 0.00 N ATOM 1270 CA LEU B 22 5.927 0.979 -9.675 1.00 0.00 C ATOM 1271 C LEU B 22 5.949 2.427 -9.226 1.00 0.00 C ATOM 1272 O LEU B 22 6.620 2.793 -8.260 1.00 0.00 O ATOM 1273 CB LEU B 22 4.863 0.271 -8.811 1.00 0.00 C ATOM 1274 CG LEU B 22 4.582 -1.146 -9.288 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.322 -1.686 -8.603 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.352 -1.115 -10.773 1.00 0.00 C ATOM 0 H LEU B 22 7.273 -0.470 -8.936 1.00 0.00 H new ATOM 0 HA LEU B 22 5.677 0.916 -10.734 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.199 0.243 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.939 0.849 -8.831 1.00 0.00 H new ATOM 0 HG LEU B 22 5.428 -1.788 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.126 -2.701 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.470 -1.693 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.473 -1.049 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.149 -2.124 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.500 -0.473 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.240 -0.725 -11.271 1.00 0.00 H new ATOM 1288 N ASN B 23 5.158 3.231 -9.925 1.00 0.00 N ATOM 1289 CA ASN B 23 5.013 4.641 -9.594 1.00 0.00 C ATOM 1290 C ASN B 23 4.221 4.759 -8.284 1.00 0.00 C ATOM 1291 O ASN B 23 3.449 3.860 -7.955 1.00 0.00 O ATOM 1292 CB ASN B 23 4.242 5.306 -10.745 1.00 0.00 C ATOM 1293 CG ASN B 23 3.995 6.774 -10.501 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.307 7.138 -9.564 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.477 7.630 -11.330 1.00 0.00 N ATOM 0 H ASN B 23 4.606 2.928 -10.727 1.00 0.00 H new ATOM 0 HA ASN B 23 5.981 5.125 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN B 23 4.802 5.184 -11.672 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.287 4.798 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN B 23 4.284 8.624 -11.206 1.00 0.00 H new ATOM 0 HD22 ASN B 23 5.052 7.315 -12.111 1.00 0.00 H new ATOM 1302 N SER B 24 4.386 5.868 -7.553 1.00 0.00 N ATOM 1303 CA SER B 24 3.639 6.056 -6.302 1.00 0.00 C ATOM 1304 C SER B 24 2.143 6.046 -6.607 1.00 0.00 C ATOM 1305 O SER B 24 1.354 5.396 -5.924 1.00 0.00 O ATOM 1306 CB SER B 24 4.036 7.382 -5.641 1.00 0.00 C ATOM 1307 OG SER B 24 3.671 8.465 -6.492 1.00 0.00 O ATOM 0 H SER B 24 5.015 6.633 -7.797 1.00 0.00 H new ATOM 0 HA SER B 24 3.875 5.245 -5.613 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.541 7.482 -4.675 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.109 7.400 -5.452 1.00 0.00 H new ATOM 0 HG SER B 24 3.923 9.312 -6.069 1.00 0.00 H new ATOM 1313 N LEU B 25 1.793 6.745 -7.682 1.00 0.00 N ATOM 1314 CA LEU B 25 0.425 6.821 -8.167 1.00 0.00 C ATOM 1315 C LEU B 25 -0.020 5.474 -8.710 1.00 0.00 C ATOM 1316 O LEU B 25 -1.165 5.069 -8.513 1.00 0.00 O ATOM 1317 CB LEU B 25 0.318 7.872 -9.280 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.362 9.113 -8.752 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.128 10.286 -9.713 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.850 8.810 -8.619 1.00 0.00 C ATOM 0 H LEU B 25 2.458 7.278 -8.243 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.218 7.104 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.311 8.122 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.246 7.468 -10.121 1.00 0.00 H new ATOM 0 HG LEU B 25 0.046 9.393 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.621 11.178 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.942 10.474 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.538 10.041 -10.693 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.368 9.690 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.256 8.544 -9.595 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.992 7.979 -7.928 1.00 0.00 H new ATOM 1332 N GLN B 26 0.902 4.772 -9.378 1.00 0.00 N ATOM 1333 CA GLN B 26 0.585 3.454 -9.924 1.00 0.00 C ATOM 1334 C GLN B 26 0.272 2.509 -8.784 1.00 0.00 C ATOM 1335 O GLN B 26 -0.635 1.684 -8.863 1.00 0.00 O ATOM 1336 CB GLN B 26 1.775 2.877 -10.693 1.00 0.00 C ATOM 1337 CG GLN B 26 1.763 3.317 -12.160 1.00 0.00 C ATOM 1338 CD GLN B 26 2.951 2.686 -12.890 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.778 1.908 -12.235 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.127 2.902 -14.088 1.00 0.00 N flip ATOM 0 H GLN B 26 1.856 5.089 -9.550 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.265 3.562 -10.598 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.704 3.200 -10.223 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.751 1.789 -10.638 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.829 3.015 -12.634 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.817 4.404 -12.226 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.483 3.507 -14.597 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.917 2.476 -14.572 1.00 0.00 H new ATOM 1349 N VAL B 27 1.042 2.661 -7.719 1.00 0.00 N ATOM 1350 CA VAL B 27 0.882 1.850 -6.536 1.00 0.00 C ATOM 1351 C VAL B 27 -0.457 2.136 -5.913 1.00 0.00 C ATOM 1352 O VAL B 27 -1.214 1.219 -5.621 1.00 0.00 O ATOM 1353 CB VAL B 27 2.060 2.117 -5.596 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.800 1.553 -4.194 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.287 1.437 -6.212 1.00 0.00 C ATOM 0 H VAL B 27 1.792 3.350 -7.656 1.00 0.00 H new ATOM 0 HA VAL B 27 0.893 0.787 -6.775 1.00 0.00 H new ATOM 0 HB VAL B 27 2.211 3.191 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.657 1.761 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.910 2.021 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.648 0.476 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.154 1.602 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.102 0.367 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.479 1.858 -7.199 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.777 3.412 -5.789 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.060 3.807 -5.276 1.00 0.00 C ATOM 1367 C VAL B 28 -3.147 3.243 -6.193 1.00 0.00 C ATOM 1368 O VAL B 28 -4.215 2.858 -5.735 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.156 5.334 -5.218 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.549 5.720 -4.720 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.074 5.894 -4.270 1.00 0.00 C ATOM 0 H VAL B 28 -0.161 4.186 -6.039 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.191 3.418 -4.266 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.994 5.754 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.631 6.806 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.302 5.328 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.709 5.302 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.149 6.981 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.221 5.487 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.087 5.610 -4.636 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.845 3.179 -7.493 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.779 2.647 -8.472 1.00 0.00 C ATOM 1383 C ALA B 29 -4.149 1.224 -8.098 1.00 0.00 C ATOM 1384 O ALA B 29 -5.322 0.842 -8.136 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.135 2.661 -9.869 1.00 0.00 C ATOM 0 H ALA B 29 -1.957 3.491 -7.886 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.677 3.265 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.839 2.261 -10.598 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.874 3.684 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.234 2.047 -9.861 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.133 0.445 -7.729 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.337 -0.917 -7.351 1.00 0.00 C ATOM 1393 C PHE B 30 -3.960 -1.016 -5.961 1.00 0.00 C ATOM 1394 O PHE B 30 -4.927 -1.745 -5.785 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.995 -1.652 -7.418 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.494 -1.637 -8.855 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.279 -2.163 -9.905 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.254 -1.050 -9.150 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.818 -2.095 -11.214 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.198 -0.995 -10.463 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.586 -1.514 -11.496 1.00 0.00 C ATOM 0 H PHE B 30 -2.162 0.754 -7.690 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.038 -1.386 -8.042 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.270 -1.172 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.110 -2.679 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.235 -2.617 -9.691 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.351 -0.640 -8.355 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.419 -2.495 -12.017 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.157 -0.550 -10.685 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.235 -1.464 -12.516 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.436 -0.261 -4.984 1.00 0.00 N ATOM 1412 CA ILE B 31 -3.991 -0.307 -3.624 1.00 0.00 C ATOM 1413 C ILE B 31 -5.466 0.078 -3.666 1.00 0.00 C ATOM 1414 O ILE B 31 -6.316 -0.587 -3.074 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.245 0.670 -2.691 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.737 0.400 -2.692 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.744 0.509 -1.245 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.042 1.601 -2.046 1.00 0.00 C ATOM 0 H ILE B 31 -2.647 0.374 -5.105 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.874 -1.320 -3.239 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.439 1.677 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.513 -0.513 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.377 0.253 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.210 1.204 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.812 0.721 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.564 -0.512 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.035 1.435 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.264 2.501 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.402 1.723 -1.024 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.753 1.149 -4.390 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.107 1.637 -4.539 1.00 0.00 C ATOM 1432 C ASN B 32 -7.995 0.609 -5.235 1.00 0.00 C ATOM 1433 O ASN B 32 -9.196 0.576 -4.991 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.096 2.936 -5.342 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.420 3.658 -5.177 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -8.745 4.138 -4.090 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -9.204 3.757 -6.198 1.00 0.00 N ATOM 0 H ASN B 32 -5.053 1.700 -4.888 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.516 1.818 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.279 3.575 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.918 2.721 -6.396 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -10.100 4.236 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.927 3.357 -7.094 1.00 0.00 H new ATOM 1444 N SER B 33 -7.410 -0.232 -6.100 1.00 0.00 N ATOM 1445 CA SER B 33 -8.185 -1.231 -6.794 1.00 0.00 C ATOM 1446 C SER B 33 -8.515 -2.372 -5.844 1.00 0.00 C ATOM 1447 O SER B 33 -9.576 -2.976 -5.956 1.00 0.00 O ATOM 1448 CB SER B 33 -7.457 -1.694 -8.039 1.00 0.00 C ATOM 1449 OG SER B 33 -7.772 -0.822 -9.118 1.00 0.00 O ATOM 0 H SER B 33 -6.415 -0.229 -6.324 1.00 0.00 H new ATOM 0 HA SER B 33 -9.130 -0.803 -7.129 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.381 -1.701 -7.864 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.747 -2.716 -8.285 1.00 0.00 H new ATOM 0 HG SER B 33 -7.116 -0.095 -9.153 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.633 -2.618 -4.860 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.929 -3.639 -3.855 1.00 0.00 C ATOM 1457 C LEU B 34 -9.147 -3.120 -3.098 1.00 0.00 C ATOM 1458 O LEU B 34 -10.101 -3.839 -2.817 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.776 -3.835 -2.849 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.401 -3.702 -3.519 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.313 -3.876 -2.487 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.209 -4.764 -4.571 1.00 0.00 C ATOM 0 H LEU B 34 -6.740 -2.139 -4.744 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.089 -4.601 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.863 -3.099 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.861 -4.819 -2.387 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.349 -2.715 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.339 -3.781 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.415 -3.111 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.398 -4.862 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.227 -4.648 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.280 -5.749 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.981 -4.664 -5.334 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.079 -1.815 -2.822 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.149 -1.075 -2.148 1.00 0.00 C ATOM 1476 C ARG B 35 -11.426 -1.169 -2.976 1.00 0.00 C ATOM 1477 O ARG B 35 -12.517 -1.384 -2.443 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.695 0.390 -2.031 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.244 1.060 -0.762 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.208 2.029 -0.185 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.170 1.303 0.540 1.00 0.00 N ATOM 1482 CZ ARG B 35 -6.900 1.397 0.194 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -6.569 1.445 -1.064 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -5.984 1.447 1.114 1.00 0.00 N ATOM 0 H ARG B 35 -8.273 -1.238 -3.062 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.350 -1.487 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.606 0.433 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.029 0.945 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.164 1.596 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.495 0.301 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.758 2.610 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.698 2.737 0.483 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.431 0.712 1.329 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -7.291 1.410 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -5.587 1.518 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -6.248 1.414 2.099 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.001 1.520 0.852 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.257 -1.024 -4.288 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.365 -1.107 -5.232 1.00 0.00 C ATOM 1500 C ASP B 36 -12.906 -2.536 -5.296 1.00 0.00 C ATOM 1501 O ASP B 36 -14.118 -2.752 -5.359 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.868 -0.673 -6.622 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.449 0.808 -6.634 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.921 1.562 -5.795 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.651 1.165 -7.484 1.00 0.00 O ATOM 0 H ASP B 36 -10.352 -0.847 -4.724 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.170 -0.450 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.022 -1.294 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.655 -0.836 -7.358 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.982 -3.499 -5.276 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.325 -4.925 -5.334 1.00 0.00 C ATOM 1512 C ASP B 37 -11.241 -5.749 -4.647 1.00 0.00 C ATOM 1513 O ASP B 37 -10.216 -6.082 -5.252 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.477 -5.387 -6.793 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.562 -4.578 -7.501 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.723 -4.922 -7.354 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.216 -3.623 -8.179 1.00 0.00 O ATOM 0 H ASP B 37 -10.980 -3.316 -5.220 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.274 -5.072 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.529 -5.272 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.729 -6.447 -6.820 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.444 -6.070 -3.391 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.465 -6.858 -2.600 1.00 0.00 C ATOM 1524 C PRO B 38 -10.350 -8.309 -3.061 1.00 0.00 C ATOM 1525 O PRO B 38 -9.333 -8.965 -2.817 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.974 -6.789 -1.162 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.216 -5.956 -1.155 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.632 -5.716 -2.599 1.00 0.00 C ATOM 0 HA PRO B 38 -9.462 -6.448 -2.717 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.183 -7.789 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.218 -6.352 -0.510 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.011 -6.463 -0.609 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.036 -5.008 -0.648 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.489 -6.332 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.921 -4.678 -2.761 1.00 0.00 H new ATOM 1536 N SER B 39 -11.392 -8.805 -3.727 1.00 0.00 N ATOM 1537 CA SER B 39 -11.397 -10.174 -4.218 1.00 0.00 C ATOM 1538 C SER B 39 -10.302 -10.346 -5.257 1.00 0.00 C ATOM 1539 O SER B 39 -9.616 -11.369 -5.286 1.00 0.00 O ATOM 1540 CB SER B 39 -12.758 -10.509 -4.834 1.00 0.00 C ATOM 1541 OG SER B 39 -12.814 -11.898 -5.131 1.00 0.00 O ATOM 0 H SER B 39 -12.239 -8.277 -3.936 1.00 0.00 H new ATOM 0 HA SER B 39 -11.214 -10.852 -3.385 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.558 -10.241 -4.143 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.912 -9.925 -5.742 1.00 0.00 H new ATOM 0 HG SER B 39 -13.685 -12.114 -5.524 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.153 -9.328 -6.109 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.149 -9.358 -7.155 1.00 0.00 C ATOM 1549 C GLN B 40 -7.914 -8.566 -6.754 1.00 0.00 C ATOM 1550 O GLN B 40 -7.183 -8.095 -7.621 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.713 -8.819 -8.484 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.247 -8.755 -8.449 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.797 -8.528 -9.852 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.559 -7.482 -10.456 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.521 -9.456 -10.409 1.00 0.00 N ATOM 0 H GLN B 40 -10.717 -8.479 -6.088 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.861 -10.400 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.309 -7.825 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.391 -9.459 -9.305 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.648 -9.682 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.570 -7.949 -7.789 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.716 -10.321 -9.906 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.893 -9.317 -11.349 1.00 0.00 H new ATOM 1564 N SER B 41 -7.664 -8.428 -5.444 1.00 0.00 N ATOM 1565 CA SER B 41 -6.490 -7.694 -4.995 1.00 0.00 C ATOM 1566 C SER B 41 -5.245 -8.270 -5.648 1.00 0.00 C ATOM 1567 O SER B 41 -4.293 -7.555 -5.947 1.00 0.00 O ATOM 1568 CB SER B 41 -6.354 -7.806 -3.473 1.00 0.00 C ATOM 1569 OG SER B 41 -7.382 -7.060 -2.847 1.00 0.00 O ATOM 0 H SER B 41 -8.248 -8.808 -4.699 1.00 0.00 H new ATOM 0 HA SER B 41 -6.601 -6.646 -5.274 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.413 -8.851 -3.169 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.379 -7.436 -3.157 1.00 0.00 H new ATOM 0 HG SER B 41 -7.500 -7.375 -1.926 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.296 -9.571 -5.871 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.218 -10.310 -6.503 1.00 0.00 C ATOM 1577 C ALA B 42 -4.143 -10.006 -8.001 1.00 0.00 C ATOM 1578 O ALA B 42 -3.086 -10.135 -8.610 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.481 -11.801 -6.316 1.00 0.00 C ATOM 0 H ALA B 42 -6.096 -10.150 -5.616 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.274 -10.016 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.681 -12.373 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.518 -12.033 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.433 -12.063 -6.778 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.293 -9.643 -8.579 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.409 -9.361 -10.006 1.00 0.00 C ATOM 1587 C ASN B 43 -4.718 -8.077 -10.407 1.00 0.00 C ATOM 1588 O ASN B 43 -3.889 -8.066 -11.310 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.871 -9.233 -10.347 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.088 -9.392 -11.850 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.689 -8.453 -12.661 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.628 -10.405 -12.296 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.168 -9.538 -8.066 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.930 -10.179 -10.543 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.443 -9.989 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.242 -8.261 -10.021 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.940 -11.139 -11.660 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.764 -10.510 -13.301 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.063 -6.990 -9.731 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.455 -5.729 -10.028 1.00 0.00 C ATOM 1601 C LEU B 44 -3.047 -5.750 -9.460 1.00 0.00 C ATOM 1602 O LEU B 44 -2.142 -5.126 -9.987 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.341 -4.532 -9.613 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.500 -4.340 -8.115 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.398 -5.413 -7.540 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.166 -4.294 -7.399 1.00 0.00 C ATOM 0 H LEU B 44 -5.756 -6.969 -8.982 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.366 -5.576 -11.104 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.918 -3.622 -10.038 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.329 -4.661 -10.055 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.972 -3.371 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.503 -5.263 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.379 -5.357 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.960 -6.393 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.331 -4.155 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.631 -5.229 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.574 -3.464 -7.785 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.855 -6.558 -8.416 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.531 -6.748 -7.866 1.00 0.00 C ATOM 1620 C LEU B 45 -0.738 -7.410 -8.973 1.00 0.00 C ATOM 1621 O LEU B 45 0.438 -7.133 -9.198 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.583 -7.670 -6.640 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.228 -8.360 -6.431 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.858 -7.304 -6.230 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.299 -9.289 -5.211 1.00 0.00 C ATOM 0 H LEU B 45 -3.594 -7.081 -7.946 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.089 -5.806 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.845 -7.092 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.363 -8.419 -6.774 1.00 0.00 H new ATOM 0 HG LEU B 45 0.015 -8.956 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.820 -7.795 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.910 -6.663 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.620 -6.700 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.666 -9.776 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.547 -8.706 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.067 -10.046 -5.374 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.450 -8.267 -9.689 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.879 -8.962 -10.820 1.00 0.00 C ATOM 1639 C ALA B 46 -0.485 -7.911 -11.844 1.00 0.00 C ATOM 1640 O ALA B 46 0.615 -7.933 -12.396 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.906 -9.938 -11.419 1.00 0.00 C ATOM 0 H ALA B 46 -2.427 -8.495 -9.502 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.009 -9.545 -10.516 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.463 -10.455 -12.270 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.199 -10.667 -10.664 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.785 -9.384 -11.748 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.395 -6.952 -12.031 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.172 -5.833 -12.927 1.00 0.00 C ATOM 1649 C GLU B 47 0.017 -5.018 -12.435 1.00 0.00 C ATOM 1650 O GLU B 47 0.754 -4.438 -13.224 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.405 -4.912 -12.952 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.627 -5.614 -13.524 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.362 -6.117 -14.945 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.030 -5.303 -15.792 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.481 -7.311 -15.162 1.00 0.00 O ATOM 0 H GLU B 47 -2.302 -6.936 -11.564 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.984 -6.225 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.623 -4.570 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.184 -4.026 -13.547 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.901 -6.453 -12.884 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.474 -4.928 -13.530 1.00 0.00 H new ATOM 1662 N ALA B 48 0.162 -4.967 -11.109 1.00 0.00 N ATOM 1663 CA ALA B 48 1.218 -4.212 -10.467 1.00 0.00 C ATOM 1664 C ALA B 48 2.563 -4.842 -10.684 1.00 0.00 C ATOM 1665 O ALA B 48 3.508 -4.180 -11.070 1.00 0.00 O ATOM 1666 CB ALA B 48 0.948 -4.212 -8.974 1.00 0.00 C ATOM 0 H ALA B 48 -0.455 -5.452 -10.457 1.00 0.00 H new ATOM 0 HA ALA B 48 1.230 -3.207 -10.890 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.729 -3.649 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.019 -3.749 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.940 -5.238 -8.606 1.00 0.00 H new ATOM 1672 N LYS B 49 2.632 -6.134 -10.447 1.00 0.00 N ATOM 1673 CA LYS B 49 3.867 -6.859 -10.632 1.00 0.00 C ATOM 1674 C LYS B 49 4.275 -6.752 -12.100 1.00 0.00 C ATOM 1675 O LYS B 49 5.455 -6.607 -12.424 1.00 0.00 O ATOM 1676 CB LYS B 49 3.667 -8.295 -10.144 1.00 0.00 C ATOM 1677 CG LYS B 49 3.670 -8.315 -8.610 1.00 0.00 C ATOM 1678 CD LYS B 49 3.675 -9.766 -8.107 1.00 0.00 C ATOM 1679 CE LYS B 49 2.295 -10.408 -8.318 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.756 -10.864 -7.006 1.00 0.00 N ATOM 0 H LYS B 49 1.848 -6.702 -10.126 1.00 0.00 H new ATOM 0 HA LYS B 49 4.686 -6.441 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.725 -8.692 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.460 -8.936 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.546 -7.787 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.793 -7.792 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.435 -10.339 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.937 -9.791 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.613 -9.690 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.375 -11.251 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.723 -10.964 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.178 -11.782 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.991 -10.165 -6.272 1.00 0.00 H new ATOM 1694 N LYS B 50 3.263 -6.739 -12.969 1.00 0.00 N ATOM 1695 CA LYS B 50 3.467 -6.552 -14.401 1.00 0.00 C ATOM 1696 C LYS B 50 3.868 -5.108 -14.697 1.00 0.00 C ATOM 1697 O LYS B 50 4.707 -4.852 -15.553 1.00 0.00 O ATOM 1698 CB LYS B 50 2.193 -6.880 -15.171 1.00 0.00 C ATOM 1699 CG LYS B 50 1.979 -8.403 -15.213 1.00 0.00 C ATOM 1700 CD LYS B 50 0.901 -8.761 -16.248 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.471 -8.236 -15.801 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.688 -6.872 -16.363 1.00 0.00 N ATOM 0 H LYS B 50 2.286 -6.857 -12.700 1.00 0.00 H new ATOM 0 HA LYS B 50 4.264 -7.225 -14.717 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.338 -6.398 -14.697 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.260 -6.486 -16.185 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.915 -8.902 -15.465 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.681 -8.763 -14.228 1.00 0.00 H new ATOM 0 HD2 LYS B 50 1.162 -8.334 -17.216 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.858 -9.842 -16.378 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.258 -8.910 -16.139 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.524 -8.205 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.701 -6.730 -16.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.359 -6.159 -15.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.156 -6.774 -17.251 1.00 0.00 H new ATOM 1716 N LEU B 51 3.244 -4.164 -13.989 1.00 0.00 N ATOM 1717 CA LEU B 51 3.543 -2.748 -14.191 1.00 0.00 C ATOM 1718 C LEU B 51 4.934 -2.456 -13.711 1.00 0.00 C ATOM 1719 O LEU B 51 5.676 -1.714 -14.337 1.00 0.00 O ATOM 1720 CB LEU B 51 2.535 -1.862 -13.452 1.00 0.00 C ATOM 1721 CG LEU B 51 1.575 -1.221 -14.454 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.342 -0.213 -15.317 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.925 -2.305 -15.338 1.00 0.00 C ATOM 0 H LEU B 51 2.537 -4.353 -13.279 1.00 0.00 H new ATOM 0 HA LEU B 51 3.470 -2.526 -15.256 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.977 -2.456 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.060 -1.088 -12.891 1.00 0.00 H new ATOM 0 HG LEU B 51 0.783 -0.701 -13.916 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.660 0.246 -16.033 1.00 0.00 H new ATOM 0 HD12 LEU B 51 2.772 0.559 -14.679 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.140 -0.726 -15.854 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.243 -1.836 -16.047 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.701 -2.844 -15.882 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.371 -3.003 -14.710 1.00 0.00 H new ATOM 1735 N ASN B 52 5.284 -3.098 -12.618 1.00 0.00 N ATOM 1736 CA ASN B 52 6.623 -2.970 -12.066 1.00 0.00 C ATOM 1737 C ASN B 52 7.567 -3.478 -13.116 1.00 0.00 C ATOM 1738 O ASN B 52 8.617 -2.891 -13.376 1.00 0.00 O ATOM 1739 CB ASN B 52 6.754 -3.801 -10.795 1.00 0.00 C ATOM 1740 CG ASN B 52 8.213 -3.868 -10.353 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.650 -3.110 -9.490 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.995 -4.736 -10.913 1.00 0.00 N ATOM 0 H ASN B 52 4.664 -3.714 -12.092 1.00 0.00 H new ATOM 0 HA ASN B 52 6.842 -1.935 -11.804 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.147 -3.364 -10.002 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.373 -4.807 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.976 -4.791 -10.638 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.630 -5.364 -11.629 1.00 0.00 H new ATOM 1749 N ASP B 53 7.132 -4.559 -13.748 1.00 0.00 N ATOM 1750 CA ASP B 53 7.902 -5.144 -14.829 1.00 0.00 C ATOM 1751 C ASP B 53 7.962 -4.142 -15.985 1.00 0.00 C ATOM 1752 O ASP B 53 8.975 -4.030 -16.677 1.00 0.00 O ATOM 1753 CB ASP B 53 7.272 -6.463 -15.295 1.00 0.00 C ATOM 1754 CG ASP B 53 8.247 -7.211 -16.202 1.00 0.00 C ATOM 1755 OD1 ASP B 53 9.050 -7.968 -15.681 1.00 0.00 O ATOM 1756 OD2 ASP B 53 8.183 -7.008 -17.404 1.00 0.00 O ATOM 0 H ASP B 53 6.260 -5.042 -13.532 1.00 0.00 H new ATOM 0 HA ASP B 53 8.910 -5.365 -14.479 1.00 0.00 H new ATOM 0 HB2 ASP B 53 7.017 -7.079 -14.433 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.343 -6.264 -15.830 1.00 0.00 H new ATOM 1761 N ALA B 54 6.853 -3.415 -16.166 1.00 0.00 N ATOM 1762 CA ALA B 54 6.736 -2.407 -17.217 1.00 0.00 C ATOM 1763 C ALA B 54 7.587 -1.170 -16.905 1.00 0.00 C ATOM 1764 O ALA B 54 8.232 -0.616 -17.797 1.00 0.00 O ATOM 1765 CB ALA B 54 5.270 -1.995 -17.352 1.00 0.00 C ATOM 0 H ALA B 54 6.017 -3.511 -15.589 1.00 0.00 H new ATOM 0 HA ALA B 54 7.098 -2.839 -18.150 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.174 -1.243 -18.135 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.669 -2.867 -17.611 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.920 -1.581 -16.406 1.00 0.00 H new ATOM 1771 N GLN B 55 7.607 -0.764 -15.628 1.00 0.00 N ATOM 1772 CA GLN B 55 8.405 0.381 -15.200 1.00 0.00 C ATOM 1773 C GLN B 55 9.871 0.025 -15.332 1.00 0.00 C ATOM 1774 O GLN B 55 10.724 0.882 -15.565 1.00 0.00 O ATOM 1775 CB GLN B 55 8.130 0.733 -13.737 1.00 0.00 C ATOM 1776 CG GLN B 55 6.677 1.163 -13.475 1.00 0.00 C ATOM 1777 CD GLN B 55 6.002 1.695 -14.724 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.109 0.956 -15.286 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.297 2.794 -15.188 1.00 0.00 N flip ATOM 0 H GLN B 55 7.080 -1.213 -14.879 1.00 0.00 H new ATOM 0 HA GLN B 55 8.143 1.236 -15.824 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.364 -0.130 -13.113 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.800 1.537 -13.432 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.112 0.313 -13.093 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.661 1.930 -12.701 1.00 0.00 H new ATOM 0 HE21 GLN B 55 7.006 3.367 -14.731 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.832 3.133 -16.030 1.00 0.00 H new ATOM 1788 N ALA B 56 10.134 -1.267 -15.160 1.00 0.00 N ATOM 1789 CA ALA B 56 11.493 -1.794 -15.239 1.00 0.00 C ATOM 1790 C ALA B 56 12.069 -1.619 -16.636 1.00 0.00 C ATOM 1791 O ALA B 56 11.353 -1.273 -17.579 1.00 0.00 O ATOM 1792 CB ALA B 56 11.523 -3.280 -14.864 1.00 0.00 C ATOM 0 H ALA B 56 9.422 -1.970 -14.964 1.00 0.00 H new ATOM 0 HA ALA B 56 12.101 -1.231 -14.531 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.546 -3.651 -14.930 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.156 -3.406 -13.845 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.888 -3.841 -15.550 1.00 0.00 H new ATOM 1798 N PRO B 57 13.352 -1.845 -16.778 1.00 0.00 N ATOM 1799 CA PRO B 57 14.058 -1.706 -18.068 1.00 0.00 C ATOM 1800 C PRO B 57 13.880 -2.948 -18.937 1.00 0.00 C ATOM 1801 O PRO B 57 13.262 -3.931 -18.516 1.00 0.00 O ATOM 1802 CB PRO B 57 15.529 -1.508 -17.659 1.00 0.00 C ATOM 1803 CG PRO B 57 15.568 -1.568 -16.162 1.00 0.00 C ATOM 1804 CD PRO B 57 14.291 -2.264 -15.738 1.00 0.00 C ATOM 0 HA PRO B 57 13.676 -0.882 -18.670 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.160 -2.283 -18.095 1.00 0.00 H new ATOM 0 HB3 PRO B 57 15.906 -0.550 -18.019 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.444 -2.116 -15.816 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.628 -0.568 -15.733 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.408 -3.347 -15.708 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.966 -1.951 -14.746 1.00 0.00 H new ATOM 1812 N LYS B 58 14.418 -2.884 -20.147 1.00 0.00 N ATOM 1813 CA LYS B 58 14.324 -3.988 -21.096 1.00 0.00 C ATOM 1814 C LYS B 58 15.676 -4.235 -21.771 1.00 0.00 C ATOM 1815 O LYS B 58 16.047 -5.389 -21.906 1.00 0.00 O ATOM 1816 CB LYS B 58 13.268 -3.662 -22.152 1.00 0.00 C ATOM 1817 CG LYS B 58 11.899 -4.233 -21.736 1.00 0.00 C ATOM 1818 CD LYS B 58 11.113 -3.183 -20.931 1.00 0.00 C ATOM 1819 CE LYS B 58 10.207 -3.877 -19.908 1.00 0.00 C ATOM 1820 NZ LYS B 58 9.575 -2.850 -19.033 1.00 0.00 N ATOM 1821 OXT LYS B 58 16.321 -3.265 -22.141 1.00 0.00 O ATOM 0 H LYS B 58 14.928 -2.073 -20.498 1.00 0.00 H new ATOM 0 HA LYS B 58 14.037 -4.892 -20.558 1.00 0.00 H new ATOM 0 HB2 LYS B 58 13.195 -2.582 -22.281 1.00 0.00 H new ATOM 0 HB3 LYS B 58 13.566 -4.079 -23.114 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.333 -4.523 -22.621 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.038 -5.133 -21.137 1.00 0.00 H new ATOM 0 HD2 LYS B 58 11.804 -2.512 -20.421 1.00 0.00 H new ATOM 0 HD3 LYS B 58 10.513 -2.571 -21.604 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.439 -4.457 -20.420 1.00 0.00 H new ATOM 0 HE3 LYS B 58 10.788 -4.576 -19.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 9.185 -3.309 -18.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 10.289 -2.148 -18.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 8.809 -2.375 -19.552 1.00 0.00 H new TER 1835 LYS B 58