USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 722 hydrogens (34 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 NoAdj-H: B 4 MLY H2 : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 9 MLY H2 : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 70 SER OG : rot 105:sc= 0.891 USER MOD Set 1.2: A 71 GLN : amide:sc=-0.00123 K(o=0.89,f=-5.3!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -114:sc= -2.08 (180deg=-4.19!) USER MOD Set 2.2: A 50 ASN : amide:sc= -4.21! K(o=-6.3!,f=-3.1) USER MOD Single : A 8 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.1) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= -0.0534 (180deg=-0.277) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0296 (180deg=-0.238) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 38:sc= -0.709 USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= -3.61! (180deg=-8.78!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -115:sc= 0.0243 USER MOD Single : A 57 ASN : amide:sc= -5.3! C(o=-5.3!,f=-10!) USER MOD Single : A 60 CYS SG : rot 53:sc= -1.68 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= -0.145 (180deg=-0.966) USER MOD Single : A 73 THR OG1 : rot 10:sc= 0.677 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 8:sc= 0.698 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 133:sc= 1.13 USER MOD Single : B 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0626) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -3.92! C(o=-3.9!,f=-6!) USER MOD Single : B 6 THR OG1 : rot -168:sc= -0.49 USER MOD Single : B 10 SER OG : rot -55:sc= 0.753 USER MOD Single : B 11 THR OG1 : rot 166:sc= 0.0643 USER MOD Single : B 14 LYS NZ :NH3+ -169:sc= -0.0375 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -24.643 -13.209 13.440 1.00 0.00 N ATOM 2 CA HIS A 8 -26.019 -13.632 13.071 1.00 0.00 C ATOM 3 C HIS A 8 -27.060 -13.043 14.020 1.00 0.00 C ATOM 4 O HIS A 8 -26.828 -12.932 15.225 1.00 0.00 O ATOM 5 CB HIS A 8 -26.086 -15.165 13.075 1.00 0.00 C ATOM 6 CG HIS A 8 -25.650 -15.812 14.361 1.00 0.00 C ATOM 7 ND1 HIS A 8 -25.678 -17.177 14.556 1.00 0.00 N ATOM 8 CD2 HIS A 8 -25.171 -15.282 15.514 1.00 0.00 C ATOM 9 CE1 HIS A 8 -25.238 -17.459 15.769 1.00 0.00 C ATOM 10 NE2 HIS A 8 -24.923 -16.328 16.370 1.00 0.00 N ATOM 0 HA HIS A 8 -26.248 -13.256 12.074 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -27.110 -15.470 12.860 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -25.463 -15.544 12.265 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -25.014 -14.234 15.721 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -25.151 -18.447 16.196 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -24.555 -16.243 17.317 1.00 0.00 H new ATOM 21 N MET A 9 -28.209 -12.661 13.465 1.00 0.00 N ATOM 22 CA MET A 9 -29.291 -12.078 14.254 1.00 0.00 C ATOM 23 C MET A 9 -28.827 -10.815 14.971 1.00 0.00 C ATOM 24 O MET A 9 -29.014 -10.671 16.180 1.00 0.00 O ATOM 25 CB MET A 9 -29.820 -13.094 15.269 1.00 0.00 C ATOM 26 CG MET A 9 -30.393 -14.350 14.632 1.00 0.00 C ATOM 27 SD MET A 9 -31.785 -14.001 13.541 1.00 0.00 S ATOM 28 CE MET A 9 -32.204 -15.652 12.991 1.00 0.00 C ATOM 0 H MET A 9 -28.414 -12.745 12.469 1.00 0.00 H new ATOM 0 HA MET A 9 -30.096 -11.808 13.571 1.00 0.00 H new ATOM 0 HB2 MET A 9 -29.011 -13.375 15.944 1.00 0.00 H new ATOM 0 HB3 MET A 9 -30.591 -12.620 15.876 1.00 0.00 H new ATOM 0 HG2 MET A 9 -29.610 -14.855 14.066 1.00 0.00 H new ATOM 0 HG3 MET A 9 -30.714 -15.037 15.416 1.00 0.00 H new ATOM 0 HE1 MET A 9 -33.051 -15.604 12.307 1.00 0.00 H new ATOM 0 HE2 MET A 9 -31.349 -16.093 12.479 1.00 0.00 H new ATOM 0 HE3 MET A 9 -32.468 -16.266 13.852 1.00 0.00 H new ATOM 38 N VAL A 10 -28.221 -9.901 14.220 1.00 0.00 N ATOM 39 CA VAL A 10 -27.728 -8.650 14.784 1.00 0.00 C ATOM 40 C VAL A 10 -27.879 -7.501 13.787 1.00 0.00 C ATOM 41 O VAL A 10 -28.821 -7.480 12.995 1.00 0.00 O ATOM 42 CB VAL A 10 -26.248 -8.775 15.203 1.00 0.00 C ATOM 43 CG1 VAL A 10 -26.095 -9.769 16.344 1.00 0.00 C ATOM 44 CG2 VAL A 10 -25.390 -9.185 14.016 1.00 0.00 C ATOM 0 H VAL A 10 -28.060 -10.004 13.218 1.00 0.00 H new ATOM 0 HA VAL A 10 -28.329 -8.434 15.667 1.00 0.00 H new ATOM 0 HB VAL A 10 -25.907 -7.800 15.552 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -25.044 -9.842 16.624 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -26.677 -9.431 17.202 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -26.455 -10.747 16.025 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -24.350 -9.268 14.330 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -25.732 -10.147 13.635 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -25.473 -8.434 13.231 1.00 0.00 H new ATOM 54 N GLU A 11 -26.951 -6.547 13.830 1.00 0.00 N ATOM 55 CA GLU A 11 -26.992 -5.401 12.930 1.00 0.00 C ATOM 56 C GLU A 11 -26.781 -5.833 11.481 1.00 0.00 C ATOM 57 O GLU A 11 -25.876 -6.614 11.183 1.00 0.00 O ATOM 58 CB GLU A 11 -25.930 -4.375 13.332 1.00 0.00 C ATOM 59 CG GLU A 11 -26.115 -3.831 14.740 1.00 0.00 C ATOM 60 CD GLU A 11 -25.070 -2.796 15.109 1.00 0.00 C ATOM 61 OE1 GLU A 11 -23.868 -3.134 15.092 1.00 0.00 O ATOM 62 OE2 GLU A 11 -25.455 -1.649 15.418 1.00 0.00 O ATOM 0 H GLU A 11 -26.163 -6.547 14.478 1.00 0.00 H new ATOM 0 HA GLU A 11 -27.978 -4.944 13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -24.945 -4.835 13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -25.951 -3.546 12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -27.107 -3.387 14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -26.072 -4.655 15.452 1.00 0.00 H new ATOM 69 N GLU A 12 -27.621 -5.322 10.587 1.00 0.00 N ATOM 70 CA GLU A 12 -27.526 -5.656 9.170 1.00 0.00 C ATOM 71 C GLU A 12 -26.232 -5.113 8.571 1.00 0.00 C ATOM 72 O GLU A 12 -25.911 -3.935 8.729 1.00 0.00 O ATOM 73 CB GLU A 12 -28.729 -5.095 8.409 1.00 0.00 C ATOM 74 CG GLU A 12 -30.068 -5.622 8.901 1.00 0.00 C ATOM 75 CD GLU A 12 -30.234 -7.115 8.681 1.00 0.00 C ATOM 76 OE1 GLU A 12 -29.327 -7.736 8.088 1.00 0.00 O ATOM 77 OE2 GLU A 12 -31.277 -7.662 9.096 1.00 0.00 O ATOM 0 H GLU A 12 -28.375 -4.675 10.818 1.00 0.00 H new ATOM 0 HA GLU A 12 -27.522 -6.742 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -28.725 -4.008 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -28.622 -5.335 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -30.170 -5.403 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -30.871 -5.093 8.388 1.00 0.00 H new ATOM 84 N VAL A 13 -25.493 -5.978 7.883 1.00 0.00 N ATOM 85 CA VAL A 13 -24.236 -5.581 7.262 1.00 0.00 C ATOM 86 C VAL A 13 -24.477 -4.691 6.044 1.00 0.00 C ATOM 87 O VAL A 13 -25.309 -4.999 5.191 1.00 0.00 O ATOM 88 CB VAL A 13 -23.404 -6.810 6.842 1.00 0.00 C ATOM 89 CG1 VAL A 13 -24.175 -7.674 5.853 1.00 0.00 C ATOM 90 CG2 VAL A 13 -22.068 -6.377 6.257 1.00 0.00 C ATOM 0 H VAL A 13 -25.743 -6.957 7.742 1.00 0.00 H new ATOM 0 HA VAL A 13 -23.678 -5.016 8.009 1.00 0.00 H new ATOM 0 HB VAL A 13 -23.208 -7.410 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -23.568 -8.534 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -25.100 -8.018 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -24.409 -7.089 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.495 -7.258 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -22.240 -5.751 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -21.510 -5.811 7.003 1.00 0.00 H new ATOM 100 N LEU A 14 -23.736 -3.586 5.973 1.00 0.00 N ATOM 101 CA LEU A 14 -23.857 -2.648 4.861 1.00 0.00 C ATOM 102 C LEU A 14 -22.820 -1.535 5.001 1.00 0.00 C ATOM 103 O LEU A 14 -23.133 -0.353 4.860 1.00 0.00 O ATOM 104 CB LEU A 14 -25.270 -2.050 4.814 1.00 0.00 C ATOM 105 CG LEU A 14 -25.821 -1.766 3.411 1.00 0.00 C ATOM 106 CD1 LEU A 14 -27.238 -1.219 3.497 1.00 0.00 C ATOM 107 CD2 LEU A 14 -24.926 -0.795 2.654 1.00 0.00 C ATOM 0 H LEU A 14 -23.045 -3.319 6.674 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.677 -3.186 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -25.952 -2.733 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -25.271 -1.119 5.381 1.00 0.00 H new ATOM 0 HG LEU A 14 -25.839 -2.707 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -27.614 -1.023 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -27.881 -1.949 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -27.236 -0.292 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -25.342 -0.613 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -24.866 0.146 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -23.928 -1.222 2.555 1.00 0.00 H new ATOM 119 N GLU A 15 -21.582 -1.929 5.287 1.00 0.00 N ATOM 120 CA GLU A 15 -20.489 -0.977 5.453 1.00 0.00 C ATOM 121 C GLU A 15 -19.171 -1.705 5.691 1.00 0.00 C ATOM 122 O GLU A 15 -19.129 -2.711 6.400 1.00 0.00 O ATOM 123 CB GLU A 15 -20.776 -0.028 6.619 1.00 0.00 C ATOM 124 CG GLU A 15 -20.967 -0.738 7.951 1.00 0.00 C ATOM 125 CD GLU A 15 -21.240 0.227 9.089 1.00 0.00 C ATOM 126 OE1 GLU A 15 -22.248 0.961 9.017 1.00 0.00 O ATOM 127 OE2 GLU A 15 -20.446 0.247 10.053 1.00 0.00 O ATOM 0 H GLU A 15 -21.311 -2.905 5.409 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.407 -0.395 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.953 0.681 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -21.672 0.550 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.795 -1.442 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.075 -1.321 8.179 1.00 0.00 H new ATOM 134 N GLU A 16 -18.099 -1.187 5.092 1.00 0.00 N ATOM 135 CA GLU A 16 -16.771 -1.780 5.229 1.00 0.00 C ATOM 136 C GLU A 16 -16.707 -3.155 4.570 1.00 0.00 C ATOM 137 O GLU A 16 -17.611 -3.977 4.730 1.00 0.00 O ATOM 138 CB GLU A 16 -16.381 -1.890 6.707 1.00 0.00 C ATOM 139 CG GLU A 16 -16.376 -0.556 7.435 1.00 0.00 C ATOM 140 CD GLU A 16 -16.000 -0.690 8.898 1.00 0.00 C ATOM 141 OE1 GLU A 16 -16.714 -1.405 9.633 1.00 0.00 O ATOM 142 OE2 GLU A 16 -14.991 -0.078 9.311 1.00 0.00 O ATOM 0 H GLU A 16 -18.126 -0.354 4.504 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.063 -1.125 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.075 -2.565 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.390 -2.338 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.675 0.119 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.363 -0.101 7.358 1.00 0.00 H new ATOM 149 N GLU A 17 -15.631 -3.397 3.828 1.00 0.00 N ATOM 150 CA GLU A 17 -15.440 -4.672 3.142 1.00 0.00 C ATOM 151 C GLU A 17 -14.024 -4.763 2.573 1.00 0.00 C ATOM 152 O GLU A 17 -13.817 -5.217 1.447 1.00 0.00 O ATOM 153 CB GLU A 17 -16.477 -4.833 2.023 1.00 0.00 C ATOM 154 CG GLU A 17 -16.494 -6.220 1.394 1.00 0.00 C ATOM 155 CD GLU A 17 -16.942 -7.302 2.359 1.00 0.00 C ATOM 156 OE1 GLU A 17 -17.282 -6.969 3.514 1.00 0.00 O ATOM 157 OE2 GLU A 17 -16.957 -8.484 1.956 1.00 0.00 O ATOM 0 H GLU A 17 -14.876 -2.726 3.686 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.576 -5.479 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.467 -4.614 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.277 -4.095 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.159 -6.213 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.496 -6.459 1.027 1.00 0.00 H new ATOM 164 N GLU A 18 -13.052 -4.323 3.364 1.00 0.00 N ATOM 165 CA GLU A 18 -11.653 -4.349 2.953 1.00 0.00 C ATOM 166 C GLU A 18 -11.115 -5.776 2.923 1.00 0.00 C ATOM 167 O GLU A 18 -11.452 -6.595 3.777 1.00 0.00 O ATOM 168 CB GLU A 18 -10.805 -3.492 3.886 1.00 0.00 C ATOM 169 CG GLU A 18 -11.130 -2.007 3.831 1.00 0.00 C ATOM 170 CD GLU A 18 -12.540 -1.695 4.294 1.00 0.00 C ATOM 171 OE1 GLU A 18 -12.862 -1.999 5.462 1.00 0.00 O ATOM 172 OE2 GLU A 18 -13.322 -1.147 3.489 1.00 0.00 O ATOM 0 H GLU A 18 -13.208 -3.942 4.297 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.595 -3.939 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.939 -3.845 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.753 -3.633 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.420 -1.461 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.001 -1.649 2.810 1.00 0.00 H new ATOM 179 N GLU A 19 -10.273 -6.064 1.934 1.00 0.00 N ATOM 180 CA GLU A 19 -9.684 -7.391 1.791 1.00 0.00 C ATOM 181 C GLU A 19 -8.175 -7.297 1.585 1.00 0.00 C ATOM 182 O GLU A 19 -7.684 -6.376 0.933 1.00 0.00 O ATOM 183 CB GLU A 19 -10.331 -8.140 0.627 1.00 0.00 C ATOM 184 CG GLU A 19 -11.816 -8.397 0.819 1.00 0.00 C ATOM 185 CD GLU A 19 -12.428 -9.158 -0.340 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.386 -8.642 -1.477 1.00 0.00 O ATOM 187 OE2 GLU A 19 -12.948 -10.269 -0.112 1.00 0.00 O ATOM 0 H GLU A 19 -9.984 -5.396 1.220 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.870 -7.945 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.185 -7.567 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.820 -9.093 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.968 -8.960 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.334 -7.445 0.938 1.00 0.00 H new ATOM 194 N GLU A 20 -7.450 -8.248 2.164 1.00 0.00 N ATOM 195 CA GLU A 20 -5.992 -8.283 2.070 1.00 0.00 C ATOM 196 C GLU A 20 -5.511 -8.664 0.669 1.00 0.00 C ATOM 197 O GLU A 20 -4.956 -9.746 0.471 1.00 0.00 O ATOM 198 CB GLU A 20 -5.423 -9.269 3.095 1.00 0.00 C ATOM 199 CG GLU A 20 -5.755 -8.912 4.534 1.00 0.00 C ATOM 200 CD GLU A 20 -5.203 -9.918 5.525 1.00 0.00 C ATOM 201 OE1 GLU A 20 -3.967 -10.097 5.562 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.006 -10.526 6.262 1.00 0.00 O ATOM 0 H GLU A 20 -7.851 -9.012 2.708 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.631 -7.277 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.807 -10.266 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.340 -9.313 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.353 -7.925 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.837 -8.850 4.649 1.00 0.00 H new ATOM 209 N TYR A 21 -5.707 -7.771 -0.298 1.00 0.00 N ATOM 210 CA TYR A 21 -5.266 -8.026 -1.666 1.00 0.00 C ATOM 211 C TYR A 21 -3.753 -8.203 -1.715 1.00 0.00 C ATOM 212 O TYR A 21 -3.013 -7.474 -1.053 1.00 0.00 O ATOM 213 CB TYR A 21 -5.685 -6.888 -2.602 1.00 0.00 C ATOM 214 CG TYR A 21 -7.138 -6.935 -3.025 1.00 0.00 C ATOM 215 CD1 TYR A 21 -8.159 -6.982 -2.085 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.486 -6.935 -4.371 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.485 -7.025 -2.474 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.810 -6.978 -4.766 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.805 -7.023 -3.814 1.00 0.00 C ATOM 220 OH TYR A 21 -11.124 -7.067 -4.203 1.00 0.00 O ATOM 0 H TYR A 21 -6.165 -6.870 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.745 -8.945 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.493 -5.936 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.058 -6.916 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.913 -6.985 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.709 -6.901 -5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.267 -7.060 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.063 -6.976 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.177 -7.058 -5.182 1.00 0.00 H new ATOM 230 N VAL A 22 -3.300 -9.177 -2.499 1.00 0.00 N ATOM 231 CA VAL A 22 -1.876 -9.454 -2.634 1.00 0.00 C ATOM 232 C VAL A 22 -1.112 -8.210 -3.078 1.00 0.00 C ATOM 233 O VAL A 22 -1.535 -7.503 -3.993 1.00 0.00 O ATOM 234 CB VAL A 22 -1.624 -10.588 -3.645 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.144 -10.931 -3.710 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.449 -11.814 -3.284 1.00 0.00 C ATOM 0 H VAL A 22 -3.901 -9.788 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.517 -9.763 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.934 -10.246 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.012 -11.734 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.420 -10.051 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.198 -11.254 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.259 -12.606 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.171 -12.159 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.508 -11.557 -3.297 1.00 0.00 H new ATOM 246 N VAL A 23 0.013 -7.947 -2.420 1.00 0.00 N ATOM 247 CA VAL A 23 0.836 -6.787 -2.743 1.00 0.00 C ATOM 248 C VAL A 23 2.217 -7.209 -3.229 1.00 0.00 C ATOM 249 O VAL A 23 2.880 -8.036 -2.602 1.00 0.00 O ATOM 250 CB VAL A 23 0.996 -5.861 -1.523 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.818 -4.633 -1.880 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.366 -5.464 -0.979 1.00 0.00 C ATOM 0 H VAL A 23 0.375 -8.522 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 23 0.325 -6.247 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 23 1.531 -6.405 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.917 -3.994 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.807 -4.943 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.320 -4.081 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.237 -4.810 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.928 -4.939 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.912 -6.358 -0.677 1.00 0.00 H new ATOM 262 N GLU A 24 2.645 -6.634 -4.347 1.00 0.00 N ATOM 263 CA GLU A 24 3.949 -6.950 -4.914 1.00 0.00 C ATOM 264 C GLU A 24 5.064 -6.255 -4.138 1.00 0.00 C ATOM 265 O GLU A 24 6.008 -6.898 -3.680 1.00 0.00 O ATOM 266 CB GLU A 24 4.002 -6.535 -6.385 1.00 0.00 C ATOM 267 CG GLU A 24 5.239 -7.040 -7.106 1.00 0.00 C ATOM 268 CD GLU A 24 5.218 -8.540 -7.326 1.00 0.00 C ATOM 269 OE1 GLU A 24 5.193 -9.288 -6.325 1.00 0.00 O ATOM 270 OE2 GLU A 24 5.224 -8.968 -8.499 1.00 0.00 O ATOM 0 H GLU A 24 2.108 -5.948 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 24 4.097 -8.027 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.114 -6.911 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.970 -5.447 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.323 -6.537 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.125 -6.774 -6.529 1.00 0.00 H new ATOM 277 N LYS A 25 4.944 -4.934 -3.996 1.00 0.00 N ATOM 278 CA LYS A 25 5.939 -4.137 -3.280 1.00 0.00 C ATOM 279 C LYS A 25 5.573 -2.659 -3.320 1.00 0.00 C ATOM 280 O LYS A 25 5.080 -2.167 -4.336 1.00 0.00 O ATOM 281 CB LYS A 25 7.324 -4.325 -3.901 1.00 0.00 C ATOM 282 CG LYS A 25 8.428 -3.583 -3.163 1.00 0.00 C ATOM 283 CD LYS A 25 9.770 -3.720 -3.867 1.00 0.00 C ATOM 284 CE LYS A 25 9.755 -3.060 -5.238 1.00 0.00 C ATOM 285 NZ LYS A 25 9.438 -1.608 -5.152 1.00 0.00 N ATOM 0 H LYS A 25 4.164 -4.393 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 25 5.956 -4.477 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.563 -5.388 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.298 -3.985 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.166 -2.528 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.509 -3.970 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.550 -3.269 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.019 -4.776 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.726 -3.192 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.019 -3.555 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.666 -1.149 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.426 -1.485 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.000 -1.174 -4.392 1.00 0.00 H new ATOM 299 N VAL A 26 5.822 -1.945 -2.225 1.00 0.00 N ATOM 300 CA VAL A 26 5.518 -0.522 -2.178 1.00 0.00 C ATOM 301 C VAL A 26 6.409 0.231 -3.164 1.00 0.00 C ATOM 302 O VAL A 26 7.626 0.037 -3.190 1.00 0.00 O ATOM 303 CB VAL A 26 5.681 0.063 -0.753 1.00 0.00 C ATOM 304 CG1 VAL A 26 5.113 -0.882 0.288 1.00 0.00 C ATOM 305 CG2 VAL A 26 7.121 0.373 -0.441 1.00 0.00 C ATOM 0 H VAL A 26 6.228 -2.324 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 26 4.473 -0.398 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 26 5.121 0.998 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.239 -0.449 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.052 -1.042 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.638 -1.836 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.195 0.781 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.712 -0.540 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.499 1.103 -1.157 1.00 0.00 H new ATOM 315 N LEU A 27 5.799 1.063 -3.997 1.00 0.00 N ATOM 316 CA LEU A 27 6.547 1.811 -4.996 1.00 0.00 C ATOM 317 C LEU A 27 7.252 3.016 -4.389 1.00 0.00 C ATOM 318 O LEU A 27 8.406 3.293 -4.720 1.00 0.00 O ATOM 319 CB LEU A 27 5.637 2.262 -6.143 1.00 0.00 C ATOM 320 CG LEU A 27 5.039 1.136 -6.994 1.00 0.00 C ATOM 321 CD1 LEU A 27 4.029 0.329 -6.194 1.00 0.00 C ATOM 322 CD2 LEU A 27 4.397 1.700 -8.252 1.00 0.00 C ATOM 0 H LEU A 27 4.794 1.236 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 27 7.307 1.137 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.820 2.851 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.206 2.924 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 27 5.848 0.468 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.619 -0.464 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.520 -0.111 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.222 0.983 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.978 0.886 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.603 2.394 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.149 2.226 -8.840 1.00 0.00 H new ATOM 334 N ASP A 28 6.562 3.742 -3.510 1.00 0.00 N ATOM 335 CA ASP A 28 7.156 4.925 -2.888 1.00 0.00 C ATOM 336 C ASP A 28 6.539 5.228 -1.522 1.00 0.00 C ATOM 337 O ASP A 28 6.172 4.319 -0.776 1.00 0.00 O ATOM 338 CB ASP A 28 6.994 6.138 -3.810 1.00 0.00 C ATOM 339 CG ASP A 28 7.741 5.986 -5.121 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.984 5.867 -5.086 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.083 5.982 -6.182 1.00 0.00 O ATOM 0 H ASP A 28 5.607 3.537 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 28 8.214 4.716 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.935 6.292 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.351 7.030 -3.295 1.00 0.00 H new ATOM 346 N ARG A 29 6.446 6.520 -1.199 1.00 0.00 N ATOM 347 CA ARG A 29 5.894 6.968 0.074 1.00 0.00 C ATOM 348 C ARG A 29 5.650 8.475 0.052 1.00 0.00 C ATOM 349 O ARG A 29 6.528 9.245 -0.340 1.00 0.00 O ATOM 350 CB ARG A 29 6.858 6.627 1.212 1.00 0.00 C ATOM 351 CG ARG A 29 6.452 7.213 2.553 1.00 0.00 C ATOM 352 CD ARG A 29 7.555 7.049 3.588 1.00 0.00 C ATOM 353 NE ARG A 29 8.791 7.716 3.183 1.00 0.00 N ATOM 354 CZ ARG A 29 8.899 9.031 2.998 1.00 0.00 C ATOM 355 NH1 ARG A 29 7.852 9.824 3.191 1.00 0.00 N ATOM 356 NH2 ARG A 29 10.057 9.555 2.624 1.00 0.00 N ATOM 0 H ARG A 29 6.750 7.278 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 29 4.945 6.457 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.927 5.543 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.853 6.989 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.218 8.271 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.544 6.723 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.220 7.456 4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.750 5.988 3.744 1.00 0.00 H new ATOM 0 HE ARG A 29 9.620 7.141 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.959 9.427 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.941 10.830 3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.866 8.952 2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.139 10.562 2.482 1.00 0.00 H new ATOM 370 N ARG A 30 4.463 8.893 0.480 1.00 0.00 N ATOM 371 CA ARG A 30 4.131 10.315 0.508 1.00 0.00 C ATOM 372 C ARG A 30 3.046 10.614 1.538 1.00 0.00 C ATOM 373 O ARG A 30 2.054 9.893 1.640 1.00 0.00 O ATOM 374 CB ARG A 30 3.682 10.793 -0.876 1.00 0.00 C ATOM 375 CG ARG A 30 2.360 10.204 -1.338 1.00 0.00 C ATOM 376 CD ARG A 30 1.991 10.697 -2.729 1.00 0.00 C ATOM 377 NE ARG A 30 0.703 10.172 -3.176 1.00 0.00 N ATOM 378 CZ ARG A 30 0.123 10.517 -4.321 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.707 11.393 -5.130 1.00 0.00 N ATOM 380 NH2 ARG A 30 -1.046 9.991 -4.658 1.00 0.00 N ATOM 0 H ARG A 30 3.721 8.275 0.809 1.00 0.00 H new ATOM 0 HA ARG A 30 5.033 10.855 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.599 11.880 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.454 10.541 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.426 9.116 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.573 10.474 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.957 11.786 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.767 10.402 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 30 0.222 9.503 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.605 11.804 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.258 11.655 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.501 9.321 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.490 10.256 -5.537 1.00 0.00 H new ATOM 394 N VAL A 31 3.239 11.693 2.290 1.00 0.00 N ATOM 395 CA VAL A 31 2.273 12.106 3.301 1.00 0.00 C ATOM 396 C VAL A 31 1.507 13.340 2.842 1.00 0.00 C ATOM 397 O VAL A 31 2.062 14.224 2.190 1.00 0.00 O ATOM 398 CB VAL A 31 2.945 12.391 4.661 1.00 0.00 C ATOM 399 CG1 VAL A 31 1.986 13.104 5.604 1.00 0.00 C ATOM 400 CG2 VAL A 31 3.427 11.098 5.292 1.00 0.00 C ATOM 0 H VAL A 31 4.057 12.298 2.218 1.00 0.00 H new ATOM 0 HA VAL A 31 1.579 11.276 3.434 1.00 0.00 H new ATOM 0 HB VAL A 31 3.801 13.042 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.484 13.293 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.677 14.051 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.109 12.479 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.899 11.315 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.579 10.431 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.150 10.618 4.632 1.00 0.00 H new ATOM 410 N VAL A 32 0.228 13.390 3.190 1.00 0.00 N ATOM 411 CA VAL A 32 -0.625 14.509 2.823 1.00 0.00 C ATOM 412 C VAL A 32 -1.727 14.692 3.857 1.00 0.00 C ATOM 413 O VAL A 32 -2.346 13.722 4.287 1.00 0.00 O ATOM 414 CB VAL A 32 -1.246 14.308 1.425 1.00 0.00 C ATOM 415 CG1 VAL A 32 -1.938 12.956 1.333 1.00 0.00 C ATOM 416 CG2 VAL A 32 -2.214 15.436 1.098 1.00 0.00 C ATOM 0 H VAL A 32 -0.242 12.663 3.729 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.005 15.405 2.794 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.443 14.328 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.369 12.835 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.212 12.163 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.729 12.901 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.640 15.274 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.014 15.455 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.682 16.387 1.113 1.00 0.00 H new ATOM 426 N LYS A 33 -1.943 15.942 4.263 1.00 0.00 N ATOM 427 CA LYS A 33 -2.951 16.279 5.269 1.00 0.00 C ATOM 428 C LYS A 33 -2.461 15.908 6.669 1.00 0.00 C ATOM 429 O LYS A 33 -2.727 16.618 7.637 1.00 0.00 O ATOM 430 CB LYS A 33 -4.287 15.577 4.983 1.00 0.00 C ATOM 431 CG LYS A 33 -4.779 15.740 3.554 1.00 0.00 C ATOM 432 CD LYS A 33 -6.206 15.244 3.396 1.00 0.00 C ATOM 433 CE LYS A 33 -6.700 15.404 1.966 1.00 0.00 C ATOM 434 NZ LYS A 33 -6.657 16.824 1.516 1.00 0.00 N ATOM 0 H LYS A 33 -1.428 16.747 3.907 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.113 17.356 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.181 14.514 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.044 15.968 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.724 16.790 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.125 15.190 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.261 14.194 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.860 15.795 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.088 14.794 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.721 15.031 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.198 16.925 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.073 17.433 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.670 17.106 1.351 1.00 0.00 H new ATOM 448 N GLY A 34 -1.747 14.787 6.766 1.00 0.00 N ATOM 449 CA GLY A 34 -1.236 14.334 8.046 1.00 0.00 C ATOM 450 C GLY A 34 -1.242 12.823 8.148 1.00 0.00 C ATOM 451 O GLY A 34 -0.659 12.246 9.067 1.00 0.00 O ATOM 0 H GLY A 34 -1.514 14.184 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.220 14.704 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.841 14.755 8.849 1.00 0.00 H new ATOM 455 N LYS A 35 -1.915 12.188 7.195 1.00 0.00 N ATOM 456 CA LYS A 35 -2.025 10.738 7.152 1.00 0.00 C ATOM 457 C LYS A 35 -0.767 10.106 6.570 1.00 0.00 C ATOM 458 O LYS A 35 0.308 10.706 6.580 1.00 0.00 O ATOM 459 CB LYS A 35 -3.251 10.353 6.320 1.00 0.00 C ATOM 460 CG LYS A 35 -3.302 11.053 4.970 1.00 0.00 C ATOM 461 CD LYS A 35 -4.616 10.803 4.245 1.00 0.00 C ATOM 462 CE LYS A 35 -4.761 9.348 3.829 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.053 9.095 3.133 1.00 0.00 N ATOM 0 H LYS A 35 -2.398 12.664 6.433 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.139 10.363 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.252 9.274 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.154 10.594 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.165 12.125 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.475 10.706 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.448 11.081 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.672 11.441 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.935 9.074 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.692 8.710 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.113 8.092 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.842 9.332 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.108 9.685 2.278 1.00 0.00 H new ATOM 477 N VAL A 36 -0.917 8.889 6.061 1.00 0.00 N ATOM 478 CA VAL A 36 0.192 8.151 5.466 1.00 0.00 C ATOM 479 C VAL A 36 -0.319 7.248 4.350 1.00 0.00 C ATOM 480 O VAL A 36 -1.364 6.620 4.490 1.00 0.00 O ATOM 481 CB VAL A 36 0.925 7.276 6.507 1.00 0.00 C ATOM 482 CG1 VAL A 36 2.124 6.586 5.879 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.354 8.097 7.712 1.00 0.00 C ATOM 0 H VAL A 36 -1.805 8.388 6.049 1.00 0.00 H new ATOM 0 HA VAL A 36 0.892 8.888 5.072 1.00 0.00 H new ATOM 0 HB VAL A 36 0.227 6.513 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.626 5.975 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.790 5.951 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.817 7.336 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.867 7.453 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.028 8.891 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.475 8.536 8.185 1.00 0.00 H new ATOM 493 N GLU A 37 0.417 7.186 3.244 1.00 0.00 N ATOM 494 CA GLU A 37 0.015 6.351 2.116 1.00 0.00 C ATOM 495 C GLU A 37 1.221 5.896 1.298 1.00 0.00 C ATOM 496 O GLU A 37 2.072 6.701 0.917 1.00 0.00 O ATOM 497 CB GLU A 37 -0.977 7.102 1.226 1.00 0.00 C ATOM 498 CG GLU A 37 -0.429 8.398 0.656 1.00 0.00 C ATOM 499 CD GLU A 37 -1.475 9.183 -0.110 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.494 9.570 0.502 1.00 0.00 O ATOM 501 OE2 GLU A 37 -1.277 9.411 -1.322 1.00 0.00 O ATOM 0 H GLU A 37 1.288 7.699 3.105 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.470 5.461 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.277 6.452 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.875 7.321 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.040 9.013 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.409 8.175 -0.004 1.00 0.00 H new ATOM 508 N TYR A 38 1.277 4.594 1.028 1.00 0.00 N ATOM 509 CA TYR A 38 2.365 4.008 0.249 1.00 0.00 C ATOM 510 C TYR A 38 1.852 3.438 -1.065 1.00 0.00 C ATOM 511 O TYR A 38 0.893 2.665 -1.084 1.00 0.00 O ATOM 512 CB TYR A 38 3.064 2.899 1.038 1.00 0.00 C ATOM 513 CG TYR A 38 3.966 3.401 2.142 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.454 4.105 3.223 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.335 3.168 2.098 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.281 4.561 4.232 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.168 3.622 3.102 1.00 0.00 C ATOM 518 CZ TYR A 38 5.636 4.316 4.167 1.00 0.00 C ATOM 519 OH TYR A 38 6.460 4.765 5.173 1.00 0.00 O ATOM 0 H TYR A 38 0.577 3.921 1.340 1.00 0.00 H new ATOM 0 HA TYR A 38 3.078 4.805 0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.308 2.244 1.471 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.653 2.294 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.393 4.299 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.755 2.623 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.868 5.107 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.230 3.434 3.053 1.00 0.00 H new ATOM 0 HH TYR A 38 6.006 4.668 6.036 1.00 0.00 H new ATOM 529 N LEU A 39 2.509 3.804 -2.158 1.00 0.00 N ATOM 530 CA LEU A 39 2.131 3.303 -3.468 1.00 0.00 C ATOM 531 C LEU A 39 2.302 1.791 -3.488 1.00 0.00 C ATOM 532 O LEU A 39 3.250 1.270 -2.905 1.00 0.00 O ATOM 533 CB LEU A 39 2.981 3.974 -4.552 1.00 0.00 C ATOM 534 CG LEU A 39 2.601 3.631 -5.994 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.097 3.638 -6.170 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.245 4.617 -6.954 1.00 0.00 C ATOM 0 H LEU A 39 3.303 4.444 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 39 1.087 3.540 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.914 5.054 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.024 3.698 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 39 2.968 2.629 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.850 3.392 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.649 2.900 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.707 4.627 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.967 4.363 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.901 5.626 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.329 4.571 -6.850 1.00 0.00 H new ATOM 548 N LEU A 40 1.369 1.077 -4.113 1.00 0.00 N ATOM 549 CA LEU A 40 1.442 -0.381 -4.131 1.00 0.00 C ATOM 550 C LEU A 40 0.961 -0.983 -5.443 1.00 0.00 C ATOM 551 O LEU A 40 -0.125 -0.668 -5.928 1.00 0.00 O ATOM 552 CB LEU A 40 0.617 -0.942 -2.971 1.00 0.00 C ATOM 553 CG LEU A 40 1.154 -0.585 -1.587 1.00 0.00 C ATOM 554 CD1 LEU A 40 0.191 -0.992 -0.494 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.488 -1.253 -1.363 1.00 0.00 C ATOM 0 H LEU A 40 0.569 1.474 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 40 2.492 -0.655 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.406 -0.575 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.574 -2.027 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 40 1.273 0.498 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.607 -0.722 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.760 -0.478 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.031 -2.069 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.864 -0.993 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.370 -2.334 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.196 -0.915 -2.120 1.00 0.00 H new ATOM 567 N LYS A 41 1.777 -1.881 -5.996 1.00 0.00 N ATOM 568 CA LYS A 41 1.435 -2.564 -7.236 1.00 0.00 C ATOM 569 C LYS A 41 0.541 -3.758 -6.922 1.00 0.00 C ATOM 570 O LYS A 41 0.908 -4.618 -6.121 1.00 0.00 O ATOM 571 CB LYS A 41 2.704 -3.027 -7.956 1.00 0.00 C ATOM 572 CG LYS A 41 2.456 -3.548 -9.364 1.00 0.00 C ATOM 573 CD LYS A 41 1.947 -2.449 -10.287 1.00 0.00 C ATOM 574 CE LYS A 41 2.960 -1.322 -10.429 1.00 0.00 C ATOM 575 NZ LYS A 41 2.458 -0.228 -11.307 1.00 0.00 N ATOM 0 H LYS A 41 2.679 -2.150 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 41 0.902 -1.875 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.407 -2.195 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.179 -3.811 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.380 -3.963 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.730 -4.360 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.730 -2.869 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.011 -2.050 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.193 -0.918 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.889 -1.719 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.037 -0.182 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.468 -0.416 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.519 0.679 -10.801 1.00 0.00 H new ATOM 589 N TRP A 42 -0.637 -3.797 -7.530 1.00 0.00 N ATOM 590 CA TRP A 42 -1.578 -4.882 -7.278 1.00 0.00 C ATOM 591 C TRP A 42 -1.554 -5.916 -8.400 1.00 0.00 C ATOM 592 O TRP A 42 -1.603 -5.574 -9.580 1.00 0.00 O ATOM 593 CB TRP A 42 -2.984 -4.309 -7.093 1.00 0.00 C ATOM 594 CG TRP A 42 -2.989 -3.096 -6.213 1.00 0.00 C ATOM 595 CD1 TRP A 42 -3.001 -1.793 -6.618 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.934 -3.072 -4.781 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.975 -0.960 -5.526 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.932 -1.721 -4.387 1.00 0.00 C ATOM 599 CE3 TRP A 42 -2.894 -4.062 -3.795 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -2.887 -1.335 -3.049 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -2.849 -3.676 -2.468 1.00 0.00 C ATOM 602 CH2 TRP A 42 -2.847 -2.324 -2.105 1.00 0.00 C ATOM 0 H TRP A 42 -0.963 -3.097 -8.196 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.278 -5.394 -6.364 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.401 -4.051 -8.067 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.632 -5.072 -6.661 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.027 -1.465 -7.647 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.986 0.059 -5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.898 -5.108 -4.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.884 -0.292 -2.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.815 -4.432 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.813 -2.057 -1.059 1.00 0.00 H new ATOM 613 N LYS A 43 -1.465 -7.185 -8.011 1.00 0.00 N ATOM 614 CA LYS A 43 -1.420 -8.288 -8.965 1.00 0.00 C ATOM 615 C LYS A 43 -2.733 -8.419 -9.732 1.00 0.00 C ATOM 616 O LYS A 43 -3.811 -8.185 -9.185 1.00 0.00 O ATOM 617 CB LYS A 43 -1.109 -9.599 -8.241 1.00 0.00 C ATOM 618 CG LYS A 43 -1.020 -10.803 -9.166 1.00 0.00 C ATOM 619 CD LYS A 43 -0.745 -12.092 -8.401 1.00 0.00 C ATOM 620 CE LYS A 43 0.660 -12.124 -7.814 1.00 0.00 C ATOM 621 NZ LYS A 43 0.848 -11.117 -6.732 1.00 0.00 N ATOM 0 H LYS A 43 -1.422 -7.476 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.629 -8.073 -9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.165 -9.493 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.881 -9.783 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.953 -10.903 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.229 -10.640 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.475 -12.199 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.878 -12.944 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.863 -13.119 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.386 -11.941 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.443 -11.522 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.310 -10.271 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.078 -10.855 -6.337 1.00 0.00 H new ATOM 635 N GLY A 44 -2.627 -8.804 -11.000 1.00 0.00 N ATOM 636 CA GLY A 44 -3.802 -8.970 -11.834 1.00 0.00 C ATOM 637 C GLY A 44 -4.324 -7.656 -12.381 1.00 0.00 C ATOM 638 O GLY A 44 -4.576 -7.535 -13.579 1.00 0.00 O ATOM 0 H GLY A 44 -1.742 -9.005 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.562 -9.634 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.588 -9.455 -11.255 1.00 0.00 H new ATOM 642 N PHE A 45 -4.484 -6.672 -11.504 1.00 0.00 N ATOM 643 CA PHE A 45 -4.977 -5.363 -11.912 1.00 0.00 C ATOM 644 C PHE A 45 -3.900 -4.587 -12.662 1.00 0.00 C ATOM 645 O PHE A 45 -2.726 -4.618 -12.291 1.00 0.00 O ATOM 646 CB PHE A 45 -5.461 -4.562 -10.700 1.00 0.00 C ATOM 647 CG PHE A 45 -6.620 -5.198 -9.982 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.471 -6.410 -9.327 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.863 -4.586 -9.972 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.538 -6.999 -8.674 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.934 -5.169 -9.320 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.770 -6.377 -8.671 1.00 0.00 C ATOM 0 H PHE A 45 -4.280 -6.756 -10.508 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.821 -5.518 -12.584 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.633 -4.441 -10.001 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.751 -3.563 -11.027 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.509 -6.901 -9.327 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.997 -3.642 -10.480 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.408 -7.944 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.897 -4.680 -9.318 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.605 -6.835 -8.162 1.00 0.00 H new ATOM 662 N SER A 46 -4.311 -3.895 -13.720 1.00 0.00 N ATOM 663 CA SER A 46 -3.389 -3.110 -14.532 1.00 0.00 C ATOM 664 C SER A 46 -2.605 -2.123 -13.673 1.00 0.00 C ATOM 665 O SER A 46 -3.132 -1.572 -12.708 1.00 0.00 O ATOM 666 CB SER A 46 -4.153 -2.357 -15.623 1.00 0.00 C ATOM 667 OG SER A 46 -5.107 -1.474 -15.060 1.00 0.00 O ATOM 0 H SER A 46 -5.280 -3.862 -14.036 1.00 0.00 H new ATOM 0 HA SER A 46 -2.682 -3.797 -14.998 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.452 -1.795 -16.240 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.654 -3.069 -16.278 1.00 0.00 H new ATOM 0 HG SER A 46 -5.581 -1.004 -15.777 1.00 0.00 H new ATOM 673 N ASP A 47 -1.343 -1.910 -14.033 1.00 0.00 N ATOM 674 CA ASP A 47 -0.479 -0.991 -13.300 1.00 0.00 C ATOM 675 C ASP A 47 -1.106 0.398 -13.204 1.00 0.00 C ATOM 676 O ASP A 47 -0.893 1.119 -12.230 1.00 0.00 O ATOM 677 CB ASP A 47 0.898 -0.904 -13.964 1.00 0.00 C ATOM 678 CG ASP A 47 0.828 -0.514 -15.431 1.00 0.00 C ATOM 679 OD1 ASP A 47 -0.294 -0.355 -15.956 1.00 0.00 O ATOM 680 OD2 ASP A 47 1.899 -0.373 -16.057 1.00 0.00 O ATOM 0 H ASP A 47 -0.895 -2.363 -14.830 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.359 -1.381 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.507 -0.176 -13.429 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.400 -1.867 -13.874 1.00 0.00 H new ATOM 685 N GLU A 48 -1.878 0.768 -14.221 1.00 0.00 N ATOM 686 CA GLU A 48 -2.533 2.067 -14.254 1.00 0.00 C ATOM 687 C GLU A 48 -3.442 2.258 -13.042 1.00 0.00 C ATOM 688 O GLU A 48 -3.653 3.382 -12.586 1.00 0.00 O ATOM 689 CB GLU A 48 -3.341 2.210 -15.544 1.00 0.00 C ATOM 690 CG GLU A 48 -2.499 2.099 -16.805 1.00 0.00 C ATOM 691 CD GLU A 48 -3.319 2.262 -18.071 1.00 0.00 C ATOM 692 OE1 GLU A 48 -3.937 3.333 -18.244 1.00 0.00 O ATOM 693 OE2 GLU A 48 -3.341 1.319 -18.889 1.00 0.00 O ATOM 0 H GLU A 48 -2.065 0.183 -15.035 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.763 2.838 -14.223 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.115 1.443 -15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.849 3.175 -15.540 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.717 2.858 -16.783 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.002 1.129 -16.821 1.00 0.00 H new ATOM 700 N ASP A 49 -3.988 1.155 -12.538 1.00 0.00 N ATOM 701 CA ASP A 49 -4.886 1.196 -11.385 1.00 0.00 C ATOM 702 C ASP A 49 -4.117 1.396 -10.074 1.00 0.00 C ATOM 703 O ASP A 49 -4.426 0.769 -9.061 1.00 0.00 O ATOM 704 CB ASP A 49 -5.711 -0.094 -11.320 1.00 0.00 C ATOM 705 CG ASP A 49 -6.802 -0.033 -10.269 1.00 0.00 C ATOM 706 OD1 ASP A 49 -7.674 0.855 -10.369 1.00 0.00 O ATOM 707 OD2 ASP A 49 -6.786 -0.875 -9.347 1.00 0.00 O ATOM 0 H ASP A 49 -3.825 0.219 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.553 2.049 -11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.160 -0.284 -12.295 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.050 -0.934 -11.105 1.00 0.00 H new ATOM 712 N ASN A 50 -3.120 2.277 -10.096 1.00 0.00 N ATOM 713 CA ASN A 50 -2.323 2.562 -8.905 1.00 0.00 C ATOM 714 C ASN A 50 -3.134 3.333 -7.870 1.00 0.00 C ATOM 715 O ASN A 50 -3.941 4.197 -8.216 1.00 0.00 O ATOM 716 CB ASN A 50 -1.068 3.360 -9.272 1.00 0.00 C ATOM 717 CG ASN A 50 0.036 2.496 -9.859 1.00 0.00 C ATOM 718 OD1 ASN A 50 1.011 3.009 -10.407 1.00 0.00 O ATOM 719 ND2 ASN A 50 -0.094 1.181 -9.721 1.00 0.00 N ATOM 0 H ASN A 50 -2.845 2.805 -10.924 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.026 1.606 -8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.335 4.136 -9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.692 3.865 -8.382 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.631 0.557 -10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.918 0.796 -9.260 1.00 0.00 H new ATOM 726 N THR A 51 -2.906 3.024 -6.599 1.00 0.00 N ATOM 727 CA THR A 51 -3.604 3.696 -5.511 1.00 0.00 C ATOM 728 C THR A 51 -2.825 3.571 -4.206 1.00 0.00 C ATOM 729 O THR A 51 -2.547 2.469 -3.732 1.00 0.00 O ATOM 730 CB THR A 51 -5.030 3.140 -5.315 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.666 3.801 -4.215 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.008 1.638 -5.065 1.00 0.00 C ATOM 0 H THR A 51 -2.242 2.311 -6.297 1.00 0.00 H new ATOM 0 HA THR A 51 -3.681 4.748 -5.786 1.00 0.00 H new ATOM 0 HB THR A 51 -5.592 3.327 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.828 3.156 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.028 1.277 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.553 1.134 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.427 1.427 -4.167 1.00 0.00 H new ATOM 740 N TRP A 52 -2.470 4.716 -3.637 1.00 0.00 N ATOM 741 CA TRP A 52 -1.717 4.760 -2.395 1.00 0.00 C ATOM 742 C TRP A 52 -2.629 4.474 -1.208 1.00 0.00 C ATOM 743 O TRP A 52 -3.517 5.266 -0.891 1.00 0.00 O ATOM 744 CB TRP A 52 -1.058 6.128 -2.249 1.00 0.00 C ATOM 745 CG TRP A 52 -0.204 6.497 -3.428 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.589 6.579 -4.738 1.00 0.00 C ATOM 747 CD2 TRP A 52 1.186 6.817 -3.402 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.481 6.931 -5.523 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.581 7.088 -4.725 1.00 0.00 C ATOM 750 CE3 TRP A 52 2.133 6.903 -2.386 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.887 7.441 -5.052 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.425 7.250 -2.710 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.794 7.516 -4.033 1.00 0.00 C ATOM 0 H TRP A 52 -2.695 5.633 -4.022 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.943 3.993 -2.417 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.831 6.885 -2.116 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.446 6.136 -1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.589 6.394 -5.102 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.459 7.055 -6.535 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.859 6.701 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.173 7.648 -6.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.167 7.318 -1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.816 7.786 -4.253 1.00 0.00 H new ATOM 764 N GLU A 53 -2.415 3.334 -0.561 1.00 0.00 N ATOM 765 CA GLU A 53 -3.229 2.939 0.582 1.00 0.00 C ATOM 766 C GLU A 53 -2.573 3.340 1.900 1.00 0.00 C ATOM 767 O GLU A 53 -1.348 3.325 2.022 1.00 0.00 O ATOM 768 CB GLU A 53 -3.474 1.430 0.562 1.00 0.00 C ATOM 769 CG GLU A 53 -4.080 0.928 -0.739 1.00 0.00 C ATOM 770 CD GLU A 53 -5.427 1.557 -1.050 1.00 0.00 C ATOM 771 OE1 GLU A 53 -5.944 2.319 -0.204 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.972 1.278 -2.138 1.00 0.00 O ATOM 0 H GLU A 53 -1.684 2.667 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.183 3.461 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.529 0.915 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.136 1.167 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.391 1.135 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.195 -0.155 -0.686 1.00 0.00 H new ATOM 779 N PRO A 54 -3.385 3.698 2.912 1.00 0.00 N ATOM 780 CA PRO A 54 -2.875 4.094 4.226 1.00 0.00 C ATOM 781 C PRO A 54 -2.008 3.006 4.850 1.00 0.00 C ATOM 782 O PRO A 54 -2.358 1.826 4.819 1.00 0.00 O ATOM 783 CB PRO A 54 -4.139 4.327 5.065 1.00 0.00 C ATOM 784 CG PRO A 54 -5.246 3.677 4.306 1.00 0.00 C ATOM 785 CD PRO A 54 -4.855 3.737 2.860 1.00 0.00 C ATOM 0 HA PRO A 54 -2.236 4.975 4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.036 3.892 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.329 5.392 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.386 2.645 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.190 4.195 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.261 2.897 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.218 4.647 2.381 1.00 0.00 H new ATOM 793 N GLU A 55 -0.870 3.413 5.402 1.00 0.00 N ATOM 794 CA GLU A 55 0.064 2.480 6.023 1.00 0.00 C ATOM 795 C GLU A 55 -0.620 1.627 7.088 1.00 0.00 C ATOM 796 O GLU A 55 -0.383 0.422 7.173 1.00 0.00 O ATOM 797 CB GLU A 55 1.240 3.245 6.637 1.00 0.00 C ATOM 798 CG GLU A 55 2.267 2.351 7.312 1.00 0.00 C ATOM 799 CD GLU A 55 3.394 3.137 7.952 1.00 0.00 C ATOM 800 OE1 GLU A 55 4.093 3.873 7.226 1.00 0.00 O ATOM 801 OE2 GLU A 55 3.576 3.017 9.183 1.00 0.00 O ATOM 0 H GLU A 55 -0.571 4.388 5.432 1.00 0.00 H new ATOM 0 HA GLU A 55 0.434 1.810 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.733 3.823 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.856 3.958 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.773 1.747 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.682 1.661 6.577 1.00 0.00 H new ATOM 808 N GLU A 56 -1.465 2.256 7.901 1.00 0.00 N ATOM 809 CA GLU A 56 -2.176 1.545 8.960 1.00 0.00 C ATOM 810 C GLU A 56 -2.953 0.360 8.392 1.00 0.00 C ATOM 811 O GLU A 56 -2.939 -0.733 8.959 1.00 0.00 O ATOM 812 CB GLU A 56 -3.123 2.494 9.698 1.00 0.00 C ATOM 813 CG GLU A 56 -4.147 3.165 8.796 1.00 0.00 C ATOM 814 CD GLU A 56 -5.066 4.102 9.555 1.00 0.00 C ATOM 815 OE1 GLU A 56 -4.558 5.066 10.165 1.00 0.00 O ATOM 816 OE2 GLU A 56 -6.293 3.871 9.539 1.00 0.00 O ATOM 0 H GLU A 56 -1.674 3.253 7.847 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.439 1.165 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.647 1.937 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.534 3.263 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.629 3.723 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.744 2.401 8.298 1.00 0.00 H new ATOM 823 N ASN A 57 -3.620 0.584 7.265 1.00 0.00 N ATOM 824 CA ASN A 57 -4.396 -0.463 6.609 1.00 0.00 C ATOM 825 C ASN A 57 -3.488 -1.571 6.090 1.00 0.00 C ATOM 826 O ASN A 57 -3.845 -2.750 6.132 1.00 0.00 O ATOM 827 CB ASN A 57 -5.207 0.124 5.451 1.00 0.00 C ATOM 828 CG ASN A 57 -6.300 1.063 5.920 1.00 0.00 C ATOM 829 OD1 ASN A 57 -6.047 1.998 6.679 1.00 0.00 O ATOM 830 ND2 ASN A 57 -7.522 0.826 5.458 1.00 0.00 N ATOM 0 H ASN A 57 -3.639 1.484 6.785 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.077 -0.889 7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.537 0.660 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.653 -0.688 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.297 1.431 5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.686 0.039 4.830 1.00 0.00 H new ATOM 837 N LEU A 58 -2.319 -1.185 5.585 1.00 0.00 N ATOM 838 CA LEU A 58 -1.366 -2.146 5.040 1.00 0.00 C ATOM 839 C LEU A 58 -0.980 -3.193 6.079 1.00 0.00 C ATOM 840 O LEU A 58 -0.587 -2.859 7.197 1.00 0.00 O ATOM 841 CB LEU A 58 -0.106 -1.430 4.544 1.00 0.00 C ATOM 842 CG LEU A 58 -0.350 -0.173 3.706 1.00 0.00 C ATOM 843 CD1 LEU A 58 0.956 0.337 3.118 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.357 -0.440 2.600 1.00 0.00 C ATOM 0 H LEU A 58 -2.010 -0.214 5.542 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.850 -2.649 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.500 -1.158 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.481 -2.132 3.952 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.762 0.593 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.763 1.231 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.648 0.578 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.394 -0.433 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.511 0.470 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.980 -1.227 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.304 -0.756 3.038 1.00 0.00 H new ATOM 856 N ASP A 59 -1.083 -4.459 5.692 1.00 0.00 N ATOM 857 CA ASP A 59 -0.734 -5.565 6.576 1.00 0.00 C ATOM 858 C ASP A 59 0.529 -6.254 6.066 1.00 0.00 C ATOM 859 O ASP A 59 0.570 -7.475 5.913 1.00 0.00 O ATOM 860 CB ASP A 59 -1.891 -6.567 6.657 1.00 0.00 C ATOM 861 CG ASP A 59 -1.660 -7.649 7.696 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.607 -7.617 8.368 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.535 -8.529 7.839 1.00 0.00 O ATOM 0 H ASP A 59 -1.407 -4.746 4.768 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.546 -5.174 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.812 -6.034 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.033 -7.031 5.681 1.00 0.00 H new ATOM 868 N CYS A 60 1.554 -5.454 5.791 1.00 0.00 N ATOM 869 CA CYS A 60 2.818 -5.975 5.281 1.00 0.00 C ATOM 870 C CYS A 60 3.984 -5.067 5.674 1.00 0.00 C ATOM 871 O CYS A 60 4.661 -4.504 4.814 1.00 0.00 O ATOM 872 CB CYS A 60 2.752 -6.113 3.758 1.00 0.00 C ATOM 873 SG CYS A 60 2.381 -4.572 2.889 1.00 0.00 S ATOM 0 H CYS A 60 1.534 -4.441 5.913 1.00 0.00 H new ATOM 0 HA CYS A 60 2.986 -6.957 5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.705 -6.499 3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.992 -6.852 3.504 1.00 0.00 H new ATOM 0 HG CYS A 60 3.211 -3.648 3.271 1.00 0.00 H new ATOM 879 N PRO A 61 4.236 -4.914 6.989 1.00 0.00 N ATOM 880 CA PRO A 61 5.328 -4.074 7.492 1.00 0.00 C ATOM 881 C PRO A 61 6.676 -4.468 6.899 1.00 0.00 C ATOM 882 O PRO A 61 7.542 -3.621 6.686 1.00 0.00 O ATOM 883 CB PRO A 61 5.315 -4.311 9.009 1.00 0.00 C ATOM 884 CG PRO A 61 4.478 -5.529 9.216 1.00 0.00 C ATOM 885 CD PRO A 61 3.491 -5.550 8.086 1.00 0.00 C ATOM 0 HA PRO A 61 5.189 -3.028 7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.325 -4.459 9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.897 -3.454 9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.092 -6.429 9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.968 -5.493 10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.188 -6.566 7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.584 -4.998 8.332 1.00 0.00 H new ATOM 893 N ASP A 62 6.845 -5.760 6.635 1.00 0.00 N ATOM 894 CA ASP A 62 8.089 -6.269 6.065 1.00 0.00 C ATOM 895 C ASP A 62 8.405 -5.577 4.742 1.00 0.00 C ATOM 896 O ASP A 62 9.545 -5.181 4.498 1.00 0.00 O ATOM 897 CB ASP A 62 8.000 -7.781 5.855 1.00 0.00 C ATOM 898 CG ASP A 62 9.265 -8.353 5.242 1.00 0.00 C ATOM 899 OD1 ASP A 62 10.342 -8.203 5.855 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.176 -8.953 4.150 1.00 0.00 O ATOM 0 H ASP A 62 6.137 -6.474 6.806 1.00 0.00 H new ATOM 0 HA ASP A 62 8.894 -6.055 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.810 -8.268 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.152 -8.006 5.209 1.00 0.00 H new ATOM 905 N LEU A 63 7.391 -5.430 3.892 1.00 0.00 N ATOM 906 CA LEU A 63 7.575 -4.779 2.600 1.00 0.00 C ATOM 907 C LEU A 63 7.973 -3.323 2.789 1.00 0.00 C ATOM 908 O LEU A 63 8.863 -2.820 2.104 1.00 0.00 O ATOM 909 CB LEU A 63 6.299 -4.858 1.762 1.00 0.00 C ATOM 910 CG LEU A 63 5.773 -6.269 1.491 1.00 0.00 C ATOM 911 CD1 LEU A 63 4.594 -6.208 0.537 1.00 0.00 C ATOM 912 CD2 LEU A 63 6.868 -7.162 0.925 1.00 0.00 C ATOM 0 H LEU A 63 6.440 -5.751 4.074 1.00 0.00 H new ATOM 0 HA LEU A 63 8.373 -5.303 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.518 -4.289 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.483 -4.368 0.806 1.00 0.00 H new ATOM 0 HG LEU A 63 5.444 -6.700 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.225 -7.216 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.799 -5.608 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.910 -5.756 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.466 -8.159 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.234 -6.740 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.689 -7.227 1.639 1.00 0.00 H new ATOM 924 N ILE A 64 7.309 -2.651 3.726 1.00 0.00 N ATOM 925 CA ILE A 64 7.603 -1.253 4.006 1.00 0.00 C ATOM 926 C ILE A 64 9.081 -1.082 4.324 1.00 0.00 C ATOM 927 O ILE A 64 9.776 -0.297 3.684 1.00 0.00 O ATOM 928 CB ILE A 64 6.764 -0.723 5.188 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.267 -0.874 4.895 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.110 0.732 5.478 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.790 -0.068 3.704 1.00 0.00 C ATOM 0 H ILE A 64 6.568 -3.052 4.301 1.00 0.00 H new ATOM 0 HA ILE A 64 7.346 -0.679 3.116 1.00 0.00 H new ATOM 0 HB ILE A 64 7.001 -1.315 6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.045 -1.927 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.702 -0.571 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.509 1.089 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.167 0.811 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.902 1.338 4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.721 -0.228 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.978 0.991 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.327 -0.387 2.811 1.00 0.00 H new ATOM 943 N ALA A 65 9.558 -1.841 5.305 1.00 0.00 N ATOM 944 CA ALA A 65 10.960 -1.789 5.699 1.00 0.00 C ATOM 945 C ALA A 65 11.863 -2.042 4.499 1.00 0.00 C ATOM 946 O ALA A 65 12.930 -1.444 4.373 1.00 0.00 O ATOM 947 CB ALA A 65 11.237 -2.809 6.795 1.00 0.00 C ATOM 0 H ALA A 65 8.993 -2.500 5.842 1.00 0.00 H new ATOM 0 HA ALA A 65 11.174 -0.793 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.288 -2.760 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.615 -2.589 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.007 -3.809 6.428 1.00 0.00 H new ATOM 953 N GLU A 66 11.419 -2.934 3.619 1.00 0.00 N ATOM 954 CA GLU A 66 12.169 -3.282 2.419 1.00 0.00 C ATOM 955 C GLU A 66 12.407 -2.056 1.538 1.00 0.00 C ATOM 956 O GLU A 66 13.456 -1.928 0.908 1.00 0.00 O ATOM 957 CB GLU A 66 11.418 -4.369 1.632 1.00 0.00 C ATOM 958 CG GLU A 66 12.159 -4.872 0.399 1.00 0.00 C ATOM 959 CD GLU A 66 12.016 -3.954 -0.802 1.00 0.00 C ATOM 960 OE1 GLU A 66 11.210 -3.003 -0.735 1.00 0.00 O ATOM 961 OE2 GLU A 66 12.699 -4.201 -1.819 1.00 0.00 O ATOM 0 H GLU A 66 10.535 -3.433 3.717 1.00 0.00 H new ATOM 0 HA GLU A 66 13.143 -3.666 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.224 -5.212 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.449 -3.975 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.216 -4.983 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.786 -5.862 0.138 1.00 0.00 H new ATOM 968 N PHE A 67 11.419 -1.167 1.488 1.00 0.00 N ATOM 969 CA PHE A 67 11.508 0.038 0.670 1.00 0.00 C ATOM 970 C PHE A 67 12.513 1.043 1.234 1.00 0.00 C ATOM 971 O PHE A 67 13.395 1.514 0.516 1.00 0.00 O ATOM 972 CB PHE A 67 10.122 0.676 0.544 1.00 0.00 C ATOM 973 CG PHE A 67 10.121 2.052 -0.056 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.594 2.269 -1.340 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.642 3.129 0.669 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.587 3.538 -1.888 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.633 4.398 0.130 1.00 0.00 C ATOM 978 CZ PHE A 67 10.106 4.605 -1.152 1.00 0.00 C ATOM 0 H PHE A 67 10.545 -1.259 2.006 1.00 0.00 H new ATOM 0 HA PHE A 67 11.868 -0.251 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.492 0.028 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.667 0.725 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.972 1.439 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.270 2.973 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.957 3.696 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.257 5.229 0.709 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.100 5.598 -1.578 1.00 0.00 H new ATOM 988 N LEU A 68 12.370 1.382 2.513 1.00 0.00 N ATOM 989 CA LEU A 68 13.256 2.338 3.151 1.00 0.00 C ATOM 990 C LEU A 68 14.634 1.738 3.402 1.00 0.00 C ATOM 991 O LEU A 68 15.599 2.460 3.635 1.00 0.00 O ATOM 992 CB LEU A 68 12.641 2.817 4.466 1.00 0.00 C ATOM 993 CG LEU A 68 11.267 3.479 4.338 1.00 0.00 C ATOM 994 CD1 LEU A 68 11.289 4.568 3.281 1.00 0.00 C ATOM 995 CD2 LEU A 68 10.185 2.459 4.025 1.00 0.00 C ATOM 0 H LEU A 68 11.646 1.005 3.125 1.00 0.00 H new ATOM 0 HA LEU A 68 13.381 3.187 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.555 1.965 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.326 3.525 4.933 1.00 0.00 H new ATOM 0 HG LEU A 68 11.032 3.933 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.302 5.024 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.020 5.328 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.561 4.135 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.223 2.964 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.417 1.960 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.139 1.720 4.825 1.00 0.00 H new ATOM 1007 N GLN A 69 14.710 0.416 3.364 1.00 0.00 N ATOM 1008 CA GLN A 69 15.965 -0.288 3.599 1.00 0.00 C ATOM 1009 C GLN A 69 17.038 0.133 2.596 1.00 0.00 C ATOM 1010 O GLN A 69 18.214 0.240 2.942 1.00 0.00 O ATOM 1011 CB GLN A 69 15.740 -1.796 3.517 1.00 0.00 C ATOM 1012 CG GLN A 69 16.962 -2.608 3.892 1.00 0.00 C ATOM 1013 CD GLN A 69 16.716 -4.102 3.821 1.00 0.00 C ATOM 1014 OE1 GLN A 69 16.390 -4.640 2.763 1.00 0.00 O ATOM 1015 NE2 GLN A 69 16.872 -4.781 4.952 1.00 0.00 N ATOM 0 H GLN A 69 13.915 -0.194 3.172 1.00 0.00 H new ATOM 0 HA GLN A 69 16.315 -0.025 4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 69 14.915 -2.069 4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 69 15.437 -2.056 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 69 17.785 -2.347 3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 69 17.273 -2.343 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.143 -4.294 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.721 -5.790 4.966 1.00 0.00 H new ATOM 1024 N SER A 70 16.632 0.358 1.353 1.00 0.00 N ATOM 1025 CA SER A 70 17.567 0.760 0.308 1.00 0.00 C ATOM 1026 C SER A 70 17.880 2.253 0.388 1.00 0.00 C ATOM 1027 O SER A 70 19.036 2.664 0.282 1.00 0.00 O ATOM 1028 CB SER A 70 16.996 0.415 -1.069 1.00 0.00 C ATOM 1029 OG SER A 70 15.713 0.989 -1.246 1.00 0.00 O ATOM 0 H SER A 70 15.664 0.269 1.043 1.00 0.00 H new ATOM 0 HA SER A 70 18.497 0.212 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.670 0.775 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.932 -0.668 -1.179 1.00 0.00 H new ATOM 0 HG SER A 70 15.781 1.765 -1.840 1.00 0.00 H new ATOM 1035 N GLN A 71 16.839 3.058 0.568 1.00 0.00 N ATOM 1036 CA GLN A 71 16.986 4.510 0.654 1.00 0.00 C ATOM 1037 C GLN A 71 17.693 4.946 1.934 1.00 0.00 C ATOM 1038 O GLN A 71 18.282 6.027 1.978 1.00 0.00 O ATOM 1039 CB GLN A 71 15.617 5.187 0.566 1.00 0.00 C ATOM 1040 CG GLN A 71 15.076 5.321 -0.852 1.00 0.00 C ATOM 1041 CD GLN A 71 15.031 4.004 -1.603 1.00 0.00 C ATOM 1042 OE1 GLN A 71 16.067 3.430 -1.938 1.00 0.00 O ATOM 1043 NE2 GLN A 71 13.824 3.519 -1.872 1.00 0.00 N ATOM 0 H GLN A 71 15.878 2.729 0.658 1.00 0.00 H new ATOM 0 HA GLN A 71 17.606 4.819 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.904 4.618 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.686 6.179 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.072 5.743 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.696 6.026 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.992 4.029 -1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.729 2.637 -2.375 1.00 0.00 H new ATOM 1052 N LYS A 72 17.619 4.125 2.981 1.00 0.00 N ATOM 1053 CA LYS A 72 18.249 4.475 4.251 1.00 0.00 C ATOM 1054 C LYS A 72 19.772 4.522 4.126 1.00 0.00 C ATOM 1055 O LYS A 72 20.294 4.980 3.111 1.00 0.00 O ATOM 1056 CB LYS A 72 17.823 3.518 5.365 1.00 0.00 C ATOM 1057 CG LYS A 72 18.290 2.085 5.169 1.00 0.00 C ATOM 1058 CD LYS A 72 17.883 1.194 6.334 1.00 0.00 C ATOM 1059 CE LYS A 72 18.548 1.626 7.633 1.00 0.00 C ATOM 1060 NZ LYS A 72 20.034 1.589 7.537 1.00 0.00 N ATOM 0 H LYS A 72 17.137 3.226 2.976 1.00 0.00 H new ATOM 0 HA LYS A 72 17.906 5.475 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.211 3.888 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.736 3.527 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.870 1.689 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 72 19.374 2.068 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.800 1.223 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.152 0.161 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.226 2.636 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.220 0.974 8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.421 1.067 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.313 1.114 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.406 2.560 7.540 1.00 0.00 H new ATOM 1074 N THR A 73 20.483 4.085 5.172 1.00 0.00 N ATOM 1075 CA THR A 73 21.944 4.128 5.170 1.00 0.00 C ATOM 1076 C THR A 73 22.393 5.524 4.764 1.00 0.00 C ATOM 1077 O THR A 73 23.486 5.725 4.234 1.00 0.00 O ATOM 1078 CB THR A 73 22.560 3.084 4.215 1.00 0.00 C ATOM 1079 OG1 THR A 73 22.150 3.339 2.866 1.00 0.00 O ATOM 1080 CG2 THR A 73 22.148 1.676 4.615 1.00 0.00 C ATOM 0 H THR A 73 20.072 3.701 6.023 1.00 0.00 H new ATOM 0 HA THR A 73 22.291 3.888 6.175 1.00 0.00 H new ATOM 0 HB THR A 73 23.645 3.165 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 73 21.699 4.208 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 73 22.594 0.957 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 73 22.492 1.470 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 73 21.062 1.590 4.576 1.00 0.00 H new ATOM 1088 N ALA A 74 21.497 6.472 5.014 1.00 0.00 N ATOM 1089 CA ALA A 74 21.698 7.875 4.690 1.00 0.00 C ATOM 1090 C ALA A 74 20.437 8.651 5.047 1.00 0.00 C ATOM 1091 O ALA A 74 20.477 9.850 5.315 1.00 0.00 O ATOM 1092 CB ALA A 74 22.020 8.042 3.211 1.00 0.00 C ATOM 0 H ALA A 74 20.597 6.282 5.455 1.00 0.00 H new ATOM 0 HA ALA A 74 22.541 8.261 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 74 22.167 9.099 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.929 7.491 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 74 21.194 7.656 2.613 1.00 0.00 H new ATOM 1098 N HIS A 75 19.310 7.937 5.036 1.00 0.00 N ATOM 1099 CA HIS A 75 18.013 8.524 5.347 1.00 0.00 C ATOM 1100 C HIS A 75 17.990 9.121 6.752 1.00 0.00 C ATOM 1101 O HIS A 75 18.360 8.457 7.722 1.00 0.00 O ATOM 1102 CB HIS A 75 16.913 7.467 5.219 1.00 0.00 C ATOM 1103 CG HIS A 75 15.540 7.989 5.512 1.00 0.00 C ATOM 1104 ND1 HIS A 75 14.947 8.999 4.785 1.00 0.00 N ATOM 1105 CD2 HIS A 75 14.644 7.637 6.464 1.00 0.00 C ATOM 1106 CE1 HIS A 75 13.746 9.245 5.275 1.00 0.00 C ATOM 1107 NE2 HIS A 75 13.538 8.432 6.294 1.00 0.00 N ATOM 0 H HIS A 75 19.274 6.942 4.812 1.00 0.00 H new ATOM 0 HA HIS A 75 17.834 9.328 4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 75 16.929 7.059 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 75 17.132 6.643 5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 75 14.775 6.873 7.216 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.052 9.985 4.905 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.692 8.400 6.863 1.00 0.00 H new ATOM 1116 N GLU A 76 17.533 10.371 6.847 1.00 0.00 N ATOM 1117 CA GLU A 76 17.431 11.079 8.126 1.00 0.00 C ATOM 1118 C GLU A 76 18.801 11.448 8.701 1.00 0.00 C ATOM 1119 O GLU A 76 18.923 12.443 9.415 1.00 0.00 O ATOM 1120 CB GLU A 76 16.648 10.239 9.140 1.00 0.00 C ATOM 1121 CG GLU A 76 16.445 10.932 10.479 1.00 0.00 C ATOM 1122 CD GLU A 76 15.652 10.089 11.460 1.00 0.00 C ATOM 1123 OE1 GLU A 76 15.268 8.956 11.096 1.00 0.00 O ATOM 1124 OE2 GLU A 76 15.416 10.561 12.592 1.00 0.00 O ATOM 0 H GLU A 76 17.224 10.919 6.044 1.00 0.00 H new ATOM 0 HA GLU A 76 16.897 12.009 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.674 9.990 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.174 9.299 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 76 17.417 11.168 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.929 11.878 10.319 1.00 0.00 H new ATOM 1131 N THR A 77 19.819 10.641 8.404 1.00 0.00 N ATOM 1132 CA THR A 77 21.171 10.882 8.909 1.00 0.00 C ATOM 1133 C THR A 77 21.169 11.022 10.428 1.00 0.00 C ATOM 1134 O THR A 77 21.819 11.909 10.982 1.00 0.00 O ATOM 1135 CB THR A 77 21.818 12.138 8.284 1.00 0.00 C ATOM 1136 OG1 THR A 77 21.077 13.311 8.637 1.00 0.00 O ATOM 1137 CG2 THR A 77 21.888 12.017 6.770 1.00 0.00 C ATOM 0 H THR A 77 19.733 9.813 7.815 1.00 0.00 H new ATOM 0 HA THR A 77 21.765 10.015 8.621 1.00 0.00 H new ATOM 0 HB THR A 77 22.832 12.221 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 77 20.396 13.080 9.303 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.347 12.914 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.485 11.146 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 77 20.881 11.905 6.367 1.00 0.00 H new ATOM 1145 N ASP A 78 20.434 10.136 11.092 1.00 0.00 N ATOM 1146 CA ASP A 78 20.336 10.146 12.549 1.00 0.00 C ATOM 1147 C ASP A 78 20.009 8.746 13.072 1.00 0.00 C ATOM 1148 O ASP A 78 20.627 7.766 12.658 1.00 0.00 O ATOM 1149 CB ASP A 78 19.269 11.148 13.008 1.00 0.00 C ATOM 1150 CG ASP A 78 19.620 12.582 12.663 1.00 0.00 C ATOM 1151 OD1 ASP A 78 20.672 13.066 13.133 1.00 0.00 O ATOM 1152 OD2 ASP A 78 18.841 13.223 11.926 1.00 0.00 O ATOM 0 H ASP A 78 19.894 9.397 10.642 1.00 0.00 H new ATOM 0 HA ASP A 78 21.299 10.453 12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.315 10.892 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 78 19.136 11.061 14.086 1.00 0.00 H new ATOM 1157 N LYS A 79 19.039 8.656 13.983 1.00 0.00 N ATOM 1158 CA LYS A 79 18.643 7.373 14.553 1.00 0.00 C ATOM 1159 C LYS A 79 17.956 6.496 13.504 1.00 0.00 C ATOM 1160 O LYS A 79 18.364 6.472 12.343 1.00 0.00 O ATOM 1161 CB LYS A 79 17.714 7.599 15.749 1.00 0.00 C ATOM 1162 CG LYS A 79 18.334 8.451 16.845 1.00 0.00 C ATOM 1163 CD LYS A 79 17.369 8.664 18.003 1.00 0.00 C ATOM 1164 CE LYS A 79 17.017 7.353 18.688 1.00 0.00 C ATOM 1165 NZ LYS A 79 16.074 7.555 19.822 1.00 0.00 N ATOM 0 H LYS A 79 18.516 9.456 14.340 1.00 0.00 H new ATOM 0 HA LYS A 79 19.540 6.854 14.891 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.798 8.077 15.402 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.431 6.633 16.167 1.00 0.00 H new ATOM 0 HG2 LYS A 79 19.241 7.970 17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.628 9.417 16.434 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.815 9.345 18.728 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.459 9.139 17.636 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.572 6.672 17.962 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.928 6.878 19.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.859 6.638 20.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.509 8.184 20.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.195 7.985 19.470 1.00 0.00 H new ATOM 1179 N SER A 80 16.913 5.776 13.920 1.00 0.00 N ATOM 1180 CA SER A 80 16.172 4.898 13.017 1.00 0.00 C ATOM 1181 C SER A 80 17.090 3.846 12.403 1.00 0.00 C ATOM 1182 O SER A 80 17.295 2.794 13.046 1.00 0.00 O ATOM 1183 CB SER A 80 15.496 5.716 11.913 1.00 0.00 C ATOM 1184 OG SER A 80 14.574 6.644 12.458 1.00 0.00 O ATOM 1185 OXT SER A 80 17.597 4.080 11.284 1.00 0.00 O ATOM 0 H SER A 80 16.563 5.785 14.878 1.00 0.00 H new ATOM 0 HA SER A 80 15.405 4.386 13.598 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.252 6.247 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.980 5.047 11.225 1.00 0.00 H new ATOM 0 HG SER A 80 14.717 7.524 12.052 1.00 0.00 H new TER 1191 SER A 80 ATOM 1192 N ALA B 1 4.346 -22.060 3.547 1.00 0.00 N ATOM 1193 CA ALA B 1 3.309 -22.095 4.611 1.00 0.00 C ATOM 1194 C ALA B 1 3.119 -20.718 5.238 1.00 0.00 C ATOM 1195 O ALA B 1 1.993 -20.300 5.508 1.00 0.00 O ATOM 1196 CB ALA B 1 3.680 -23.115 5.677 1.00 0.00 C ATOM 0 H1 ALA B 1 4.384 -22.983 3.069 1.00 0.00 H new ATOM 0 H2 ALA B 1 4.109 -21.321 2.855 1.00 0.00 H new ATOM 0 H3 ALA B 1 5.272 -21.852 3.972 1.00 0.00 H new ATOM 0 HA ALA B 1 2.365 -22.391 4.154 1.00 0.00 H new ATOM 0 HB1 ALA B 1 2.911 -23.130 6.450 1.00 0.00 H new ATOM 0 HB2 ALA B 1 3.758 -24.103 5.224 1.00 0.00 H new ATOM 0 HB3 ALA B 1 4.637 -22.844 6.122 1.00 0.00 H new ATOM 1204 N ARG B 2 4.226 -20.015 5.466 1.00 0.00 N ATOM 1205 CA ARG B 2 4.178 -18.684 6.060 1.00 0.00 C ATOM 1206 C ARG B 2 3.292 -17.745 5.245 1.00 0.00 C ATOM 1207 O ARG B 2 3.271 -17.802 4.015 1.00 0.00 O ATOM 1208 CB ARG B 2 5.595 -18.112 6.212 1.00 0.00 C ATOM 1209 CG ARG B 2 6.490 -18.298 4.991 1.00 0.00 C ATOM 1210 CD ARG B 2 6.139 -17.334 3.869 1.00 0.00 C ATOM 1211 NE ARG B 2 6.258 -15.941 4.288 1.00 0.00 N ATOM 1212 CZ ARG B 2 6.018 -14.907 3.490 1.00 0.00 C ATOM 1213 NH1 ARG B 2 5.650 -15.106 2.232 1.00 0.00 N ATOM 1214 NH2 ARG B 2 6.148 -13.670 3.948 1.00 0.00 N ATOM 0 H ARG B 2 5.166 -20.346 5.248 1.00 0.00 H new ATOM 0 HA ARG B 2 3.736 -18.772 7.052 1.00 0.00 H new ATOM 0 HB2 ARG B 2 5.521 -17.047 6.433 1.00 0.00 H new ATOM 0 HB3 ARG B 2 6.072 -18.583 7.071 1.00 0.00 H new ATOM 0 HG2 ARG B 2 7.531 -18.153 5.280 1.00 0.00 H new ATOM 0 HG3 ARG B 2 6.400 -19.322 4.629 1.00 0.00 H new ATOM 0 HD2 ARG B 2 6.796 -17.514 3.018 1.00 0.00 H new ATOM 0 HD3 ARG B 2 5.120 -17.525 3.532 1.00 0.00 H new ATOM 0 HE ARG B 2 6.542 -15.751 5.249 1.00 0.00 H new ATOM 0 HH11 ARG B 2 5.550 -16.056 1.874 1.00 0.00 H new ATOM 0 HH12 ARG B 2 5.467 -14.309 1.622 1.00 0.00 H new ATOM 0 HH21 ARG B 2 6.433 -13.511 4.915 1.00 0.00 H new ATOM 0 HH22 ARG B 2 5.963 -12.877 3.334 1.00 0.00 H new ATOM 1228 N THR B 3 2.545 -16.893 5.942 1.00 0.00 N ATOM 1229 CA THR B 3 1.645 -15.950 5.290 1.00 0.00 C ATOM 1230 C THR B 3 2.414 -14.901 4.494 1.00 0.00 C ATOM 1231 O THR B 3 3.340 -14.273 5.006 1.00 0.00 O ATOM 1232 CB THR B 3 0.736 -15.240 6.314 1.00 0.00 C ATOM 1233 OG1 THR B 3 -0.093 -14.278 5.650 1.00 0.00 O ATOM 1234 CG2 THR B 3 1.563 -14.547 7.388 1.00 0.00 C ATOM 0 H THR B 3 2.546 -16.837 6.960 1.00 0.00 H new ATOM 0 HA THR B 3 1.027 -16.532 4.606 1.00 0.00 H new ATOM 0 HB THR B 3 0.109 -15.993 6.791 1.00 0.00 H new ATOM 0 HG1 THR B 3 -0.668 -13.833 6.307 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.898 -14.054 8.097 1.00 0.00 H new ATOM 0 HG22 THR B 3 2.170 -15.285 7.912 1.00 0.00 H new ATOM 0 HG23 THR B 3 2.213 -13.805 6.924 1.00 0.00 H new HETATM 1242 N MLY B 4 2.021 -14.716 3.238 1.00 0.00 N HETATM 1243 CA MLY B 4 2.667 -13.739 2.369 1.00 0.00 C HETATM 1244 CB MLY B 4 2.487 -14.126 0.901 1.00 0.00 C HETATM 1245 CG MLY B 4 1.036 -14.297 0.485 1.00 0.00 C HETATM 1246 CD MLY B 4 0.928 -14.853 -0.926 1.00 0.00 C HETATM 1247 CE MLY B 4 -0.520 -15.086 -1.325 1.00 0.00 C HETATM 1248 NZ MLY B 4 -0.630 -15.719 -2.668 1.00 0.00 N HETATM 1249 CH1 MLY B 4 -1.734 -16.486 -2.709 1.00 0.00 C HETATM 1250 CH2 MLY B 4 -0.721 -14.760 -3.605 1.00 0.00 C HETATM 1251 C MLY B 4 2.115 -12.338 2.622 1.00 0.00 C HETATM 1252 O MLY B 4 0.932 -12.171 2.920 1.00 0.00 O HETATM 0 HH23 MLY B 4 -1.604 -14.149 -3.416 1.00 0.00 H new HETATM 0 HH22 MLY B 4 0.169 -14.131 -3.570 1.00 0.00 H new HETATM 0 HH21 MLY B 4 -0.802 -15.220 -4.590 1.00 0.00 H new HETATM 0 HH13 MLY B 4 -1.667 -17.261 -1.945 1.00 0.00 H new HETATM 0 HH12 MLY B 4 -2.613 -15.869 -2.524 1.00 0.00 H new HETATM 0 HH11 MLY B 4 -1.818 -16.951 -3.691 1.00 0.00 H new HETATM 0 HG3 MLY B 4 0.532 -14.967 1.182 1.00 0.00 H new HETATM 0 HG2 MLY B 4 0.524 -13.336 0.540 1.00 0.00 H new HETATM 0 HE3 MLY B 4 -1.003 -15.722 -0.583 1.00 0.00 H new HETATM 0 HE2 MLY B 4 -1.054 -14.136 -1.327 1.00 0.00 H new HETATM 0 HD3 MLY B 4 1.393 -14.160 -1.628 1.00 0.00 H new HETATM 0 HD2 MLY B 4 1.480 -15.791 -0.992 1.00 0.00 H new HETATM 0 HB3 MLY B 4 2.947 -13.362 0.275 1.00 0.00 H new HETATM 0 HB2 MLY B 4 3.021 -15.057 0.712 1.00 0.00 H new HETATM 0 HA MLY B 4 3.733 -13.733 2.599 1.00 0.00 H new HETATM 0 H MLY B 4 1.538 -15.518 2.833 1.00 0.00 H new ATOM 1270 N GLN B 5 2.986 -11.339 2.509 1.00 0.00 N ATOM 1271 CA GLN B 5 2.602 -9.948 2.730 1.00 0.00 C ATOM 1272 C GLN B 5 1.355 -9.571 1.932 1.00 0.00 C ATOM 1273 O GLN B 5 1.216 -9.934 0.764 1.00 0.00 O ATOM 1274 CB GLN B 5 3.756 -9.016 2.360 1.00 0.00 C ATOM 1275 CG GLN B 5 4.908 -9.043 3.354 1.00 0.00 C ATOM 1276 CD GLN B 5 5.523 -10.420 3.505 1.00 0.00 C ATOM 1277 OE1 GLN B 5 6.024 -10.999 2.542 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.489 -10.952 4.722 1.00 0.00 N ATOM 0 H GLN B 5 3.968 -11.468 2.264 1.00 0.00 H new ATOM 0 HA GLN B 5 2.369 -9.836 3.789 1.00 0.00 H new ATOM 0 HB2 GLN B 5 4.132 -9.291 1.375 1.00 0.00 H new ATOM 0 HB3 GLN B 5 3.378 -7.997 2.284 1.00 0.00 H new ATOM 0 HG2 GLN B 5 5.676 -8.341 3.031 1.00 0.00 H new ATOM 0 HG3 GLN B 5 4.551 -8.701 4.326 1.00 0.00 H new ATOM 0 HE21 GLN B 5 5.063 -10.436 5.492 1.00 0.00 H new ATOM 0 HE22 GLN B 5 5.889 -11.876 4.886 1.00 0.00 H new ATOM 1287 N THR B 6 0.453 -8.837 2.581 1.00 0.00 N ATOM 1288 CA THR B 6 -0.791 -8.396 1.957 1.00 0.00 C ATOM 1289 C THR B 6 -1.251 -7.069 2.551 1.00 0.00 C ATOM 1290 O THR B 6 -1.081 -6.826 3.744 1.00 0.00 O ATOM 1291 CB THR B 6 -1.921 -9.430 2.142 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.139 -9.672 3.536 1.00 0.00 O ATOM 1293 CG2 THR B 6 -1.593 -10.739 1.443 1.00 0.00 C ATOM 0 H THR B 6 0.564 -8.533 3.548 1.00 0.00 H new ATOM 0 HA THR B 6 -0.584 -8.280 0.893 1.00 0.00 H new ATOM 0 HB THR B 6 -2.826 -9.020 1.694 1.00 0.00 H new ATOM 0 HG1 THR B 6 -2.715 -10.457 3.646 1.00 0.00 H new ATOM 0 HG21 THR B 6 -2.409 -11.446 1.593 1.00 0.00 H new ATOM 0 HG22 THR B 6 -1.460 -10.559 0.376 1.00 0.00 H new ATOM 0 HG23 THR B 6 -0.674 -11.153 1.858 1.00 0.00 H new ATOM 1301 N ALA B 7 -1.834 -6.213 1.717 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.315 -4.914 2.175 1.00 0.00 C ATOM 1303 C ALA B 7 -3.686 -4.599 1.592 1.00 0.00 C ATOM 1304 O ALA B 7 -3.886 -4.664 0.378 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.321 -3.822 1.803 1.00 0.00 C ATOM 0 H ALA B 7 -1.984 -6.394 0.725 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.410 -4.953 3.260 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.692 -2.858 2.151 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.359 -4.031 2.271 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.199 -3.795 0.720 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.628 -4.251 2.464 1.00 0.00 N ATOM 1312 CA ARG B 8 -5.980 -3.919 2.034 1.00 0.00 C ATOM 1313 C ARG B 8 -5.975 -2.632 1.219 1.00 0.00 C ATOM 1314 O ARG B 8 -5.568 -1.579 1.711 1.00 0.00 O ATOM 1315 CB ARG B 8 -6.898 -3.767 3.249 1.00 0.00 C ATOM 1316 CG ARG B 8 -6.938 -4.999 4.141 1.00 0.00 C ATOM 1317 CD ARG B 8 -7.855 -4.793 5.336 1.00 0.00 C ATOM 1318 NE ARG B 8 -7.834 -5.930 6.256 1.00 0.00 N ATOM 1319 CZ ARG B 8 -8.243 -7.156 5.934 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -8.718 -7.407 4.722 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -8.181 -8.132 6.831 1.00 0.00 N ATOM 0 H ARG B 8 -4.479 -4.192 3.471 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.355 -4.729 1.408 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.567 -2.912 3.839 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.908 -3.545 2.905 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.280 -5.857 3.563 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.931 -5.230 4.489 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.555 -3.891 5.870 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.874 -4.631 4.985 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.485 -5.775 7.202 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.772 -6.659 4.030 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -9.030 -8.348 4.481 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.820 -7.943 7.766 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.494 -9.071 6.585 1.00 0.00 H new HETATM 1335 N MLY B 9 -6.422 -2.720 -0.030 1.00 0.00 N HETATM 1336 CA MLY B 9 -6.458 -1.556 -0.908 1.00 0.00 C HETATM 1337 CB MLY B 9 -6.307 -1.985 -2.367 1.00 0.00 C HETATM 1338 CG MLY B 9 -7.426 -2.894 -2.851 1.00 0.00 C HETATM 1339 CD MLY B 9 -7.333 -3.154 -4.346 1.00 0.00 C HETATM 1340 CE MLY B 9 -7.422 -1.856 -5.148 1.00 0.00 C HETATM 1341 NZ MLY B 9 -7.484 -2.083 -6.628 1.00 0.00 N HETATM 1342 CH1 MLY B 9 -6.414 -2.799 -7.028 1.00 0.00 C HETATM 1343 CH2 MLY B 9 -8.611 -2.756 -6.932 1.00 0.00 C HETATM 1344 C MLY B 9 -7.751 -0.766 -0.735 1.00 0.00 C HETATM 1345 O MLY B 9 -8.200 -0.091 -1.662 1.00 0.00 O HETATM 0 HH23 MLY B 9 -8.611 -3.717 -6.417 1.00 0.00 H new HETATM 0 HH22 MLY B 9 -9.478 -2.175 -6.617 1.00 0.00 H new HETATM 0 HH21 MLY B 9 -8.657 -2.921 -8.008 1.00 0.00 H new HETATM 0 HH13 MLY B 9 -5.501 -2.255 -6.786 1.00 0.00 H new HETATM 0 HH12 MLY B 9 -6.409 -3.762 -6.517 1.00 0.00 H new HETATM 0 HH11 MLY B 9 -6.466 -2.960 -8.105 1.00 0.00 H new HETATM 0 HG3 MLY B 9 -7.383 -3.841 -2.314 1.00 0.00 H new HETATM 0 HG2 MLY B 9 -8.389 -2.440 -2.620 1.00 0.00 H new HETATM 0 HE3 MLY B 9 -8.306 -1.302 -4.834 1.00 0.00 H new HETATM 0 HE2 MLY B 9 -6.557 -1.234 -4.918 1.00 0.00 H new HETATM 0 HD3 MLY B 9 -6.393 -3.658 -4.571 1.00 0.00 H new HETATM 0 HD2 MLY B 9 -8.135 -3.826 -4.650 1.00 0.00 H new HETATM 0 HB3 MLY B 9 -6.273 -1.096 -2.997 1.00 0.00 H new HETATM 0 HB2 MLY B 9 -5.354 -2.499 -2.490 1.00 0.00 H new HETATM 0 HA MLY B 9 -5.624 -0.910 -0.633 1.00 0.00 H new HETATM 0 H MLY B 9 -6.308 -3.653 -0.425 1.00 0.00 H new ATOM 1363 N SER B 10 -8.344 -0.849 0.454 1.00 0.00 N ATOM 1364 CA SER B 10 -9.583 -0.135 0.744 1.00 0.00 C ATOM 1365 C SER B 10 -10.608 -0.350 -0.370 1.00 0.00 C ATOM 1366 O SER B 10 -11.246 0.596 -0.833 1.00 0.00 O ATOM 1367 CB SER B 10 -9.303 1.361 0.917 1.00 0.00 C ATOM 1368 OG SER B 10 -10.489 2.072 1.231 1.00 0.00 O ATOM 0 H SER B 10 -7.986 -1.404 1.231 1.00 0.00 H new ATOM 0 HA SER B 10 -9.995 -0.530 1.672 1.00 0.00 H new ATOM 0 HB2 SER B 10 -8.568 1.507 1.709 1.00 0.00 H new ATOM 0 HB3 SER B 10 -8.868 1.761 0.001 1.00 0.00 H new ATOM 0 HG SER B 10 -11.167 1.897 0.545 1.00 0.00 H new ATOM 1374 N THR B 11 -10.754 -1.600 -0.802 1.00 0.00 N ATOM 1375 CA THR B 11 -11.691 -1.937 -1.867 1.00 0.00 C ATOM 1376 C THR B 11 -13.123 -1.578 -1.482 1.00 0.00 C ATOM 1377 O THR B 11 -13.803 -0.849 -2.205 1.00 0.00 O ATOM 1378 CB THR B 11 -11.629 -3.437 -2.215 1.00 0.00 C ATOM 1379 OG1 THR B 11 -10.297 -3.797 -2.597 1.00 0.00 O ATOM 1380 CG2 THR B 11 -12.590 -3.773 -3.345 1.00 0.00 C ATOM 0 H THR B 11 -10.235 -2.395 -0.430 1.00 0.00 H new ATOM 0 HA THR B 11 -11.396 -1.353 -2.739 1.00 0.00 H new ATOM 0 HB THR B 11 -11.921 -4.003 -1.330 1.00 0.00 H new ATOM 0 HG1 THR B 11 -10.208 -4.773 -2.593 1.00 0.00 H new ATOM 0 HG21 THR B 11 -12.527 -4.837 -3.572 1.00 0.00 H new ATOM 0 HG22 THR B 11 -13.608 -3.526 -3.043 1.00 0.00 H new ATOM 0 HG23 THR B 11 -12.325 -3.197 -4.232 1.00 0.00 H new ATOM 1388 N GLY B 12 -13.573 -2.096 -0.343 1.00 0.00 N ATOM 1389 CA GLY B 12 -14.924 -1.823 0.115 1.00 0.00 C ATOM 1390 C GLY B 12 -15.964 -2.155 -0.936 1.00 0.00 C ATOM 1391 O GLY B 12 -15.820 -3.133 -1.670 1.00 0.00 O ATOM 0 H GLY B 12 -13.026 -2.700 0.271 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -15.124 -2.402 1.017 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -15.008 -0.771 0.387 1.00 0.00 H new ATOM 1395 N GLY B 13 -17.009 -1.333 -1.018 1.00 0.00 N ATOM 1396 CA GLY B 13 -18.057 -1.559 -1.999 1.00 0.00 C ATOM 1397 C GLY B 13 -18.607 -2.972 -1.954 1.00 0.00 C ATOM 1398 O GLY B 13 -18.947 -3.479 -0.886 1.00 0.00 O ATOM 0 H GLY B 13 -17.148 -0.516 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -18.869 -0.852 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -17.665 -1.358 -2.996 1.00 0.00 H new ATOM 1402 N LYS B 14 -18.686 -3.607 -3.120 1.00 0.00 N ATOM 1403 CA LYS B 14 -19.192 -4.971 -3.219 1.00 0.00 C ATOM 1404 C LYS B 14 -18.874 -5.564 -4.589 1.00 0.00 C ATOM 1405 O LYS B 14 -19.018 -4.896 -5.613 1.00 0.00 O ATOM 1406 CB LYS B 14 -20.703 -5.005 -2.969 1.00 0.00 C ATOM 1407 CG LYS B 14 -21.509 -4.191 -3.969 1.00 0.00 C ATOM 1408 CD LYS B 14 -23.001 -4.290 -3.694 1.00 0.00 C ATOM 1409 CE LYS B 14 -23.809 -3.507 -4.715 1.00 0.00 C ATOM 1410 NZ LYS B 14 -23.470 -2.058 -4.702 1.00 0.00 N ATOM 0 H LYS B 14 -18.405 -3.197 -4.011 1.00 0.00 H new ATOM 0 HA LYS B 14 -18.698 -5.572 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.044 -6.040 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -20.904 -4.632 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -21.198 -3.147 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -21.300 -4.543 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -23.307 -5.336 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -23.213 -3.913 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -23.627 -3.913 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -24.872 -3.632 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -24.165 -1.534 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -23.488 -1.706 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -22.520 -1.920 -5.102 1.00 0.00 H new ATOM 1424 N ALA B 15 -18.436 -6.820 -4.596 1.00 0.00 N ATOM 1425 CA ALA B 15 -18.092 -7.505 -5.838 1.00 0.00 C ATOM 1426 C ALA B 15 -19.288 -7.565 -6.786 1.00 0.00 C ATOM 1427 O ALA B 15 -20.409 -7.849 -6.365 1.00 0.00 O ATOM 1428 CB ALA B 15 -17.581 -8.906 -5.541 1.00 0.00 C ATOM 0 H ALA B 15 -18.311 -7.384 -3.755 1.00 0.00 H new ATOM 0 HA ALA B 15 -17.303 -6.937 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -17.328 -9.407 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -16.694 -8.844 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -18.355 -9.473 -5.024 1.00 0.00 H new ATOM 1434 N PRO B 16 -19.063 -7.301 -8.087 1.00 0.00 N ATOM 1435 CA PRO B 16 -20.129 -7.330 -9.095 1.00 0.00 C ATOM 1436 C PRO B 16 -20.719 -8.726 -9.269 1.00 0.00 C ATOM 1437 O PRO B 16 -21.937 -8.889 -9.351 1.00 0.00 O ATOM 1438 CB PRO B 16 -19.425 -6.880 -10.380 1.00 0.00 C ATOM 1439 CG PRO B 16 -17.983 -7.167 -10.148 1.00 0.00 C ATOM 1440 CD PRO B 16 -17.756 -6.959 -8.678 1.00 0.00 C ATOM 0 HA PRO B 16 -20.971 -6.696 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -19.801 -7.423 -11.247 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -19.591 -5.820 -10.571 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -17.735 -8.187 -10.441 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -17.352 -6.503 -10.739 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -16.961 -7.601 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -17.469 -5.931 -8.456 1.00 0.00 H new ATOM 1448 N GLY B 17 -19.846 -9.727 -9.326 1.00 0.00 N ATOM 1449 CA GLY B 17 -20.296 -11.098 -9.488 1.00 0.00 C ATOM 1450 C GLY B 17 -20.994 -11.329 -10.814 1.00 0.00 C ATOM 1451 O GLY B 17 -20.537 -10.855 -11.855 1.00 0.00 O ATOM 0 H GLY B 17 -18.834 -9.613 -9.263 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -19.441 -11.769 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -20.976 -11.352 -8.675 1.00 0.00 H new ATOM 1455 N GLY B 18 -22.103 -12.061 -10.777 1.00 0.00 N ATOM 1456 CA GLY B 18 -22.848 -12.344 -11.990 1.00 0.00 C ATOM 1457 C GLY B 18 -24.037 -13.251 -11.743 1.00 0.00 C ATOM 1458 O GLY B 18 -24.934 -12.856 -10.967 1.00 0.00 O ATOM 1459 OXT GLY B 18 -24.073 -14.355 -12.325 1.00 0.00 O ATOM 0 H GLY B 18 -22.499 -12.464 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -23.194 -11.407 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -22.185 -12.810 -12.719 1.00 0.00 H new TER 1463 GLY B 18