USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 100 LYS NZ :NH3+ -136:sc= -3.63! (180deg=-4.89!) USER MOD Set 1.2: A 102 THR OG1 : rot -78:sc= -0.0195 USER MOD Set 2.1: A 70 GLN :FLIP amide:sc= -0.736 F(o=-1.2!,f=-0.06) USER MOD Set 2.2: A 71 SER OG : rot 101:sc= 0.676 USER MOD Set 3.1: A 40 ASN : amide:sc= -2.94! C(o=-6.2!,f=-9.2!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -164:sc= -3.26! (180deg=-4.71!) USER MOD Set 4.1: A 28 THR OG1 : rot -51:sc= 0.71 USER MOD Set 4.2: A 75 THR OG1 : rot 12:sc= 1.03 USER MOD Set 5.1: A 20 LYS NZ :NH3+ -127:sc= 1.05 (180deg=0) USER MOD Set 5.2: A 22 THR OG1 : rot -170:sc= 0.874 USER MOD Set 6.1: A 6 LYS NZ :NH3+ -100:sc= -4.86! (180deg=-9.01!) USER MOD Set 6.2: A 34 ASN : amide:sc= -2.54 K(o=-7.4,f=-15!) USER MOD Set 7.1: A 3 TYR OH : rot 25:sc= 0.262! USER MOD Set 7.2: A 24 LYS NZ :NH3+ 157:sc= -1.35! (180deg=-3.62!) USER MOD Single : A 1 GLU N :NH3+ 161:sc= -0.885! (180deg=-1.45!) USER MOD Single : A 2 THR OG1 : rot 119:sc= 0.674 USER MOD Single : A 4 THR OG1 : rot 53:sc= 0.887 USER MOD Single : A 9 SER OG : rot -52:sc= 1.37 USER MOD Single : A 11 LYS NZ :NH3+ -129:sc= -2.54! (180deg=-6.12!) USER MOD Single : A 33 ASN : amide:sc= -0.437 K(o=-0.44,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -1.28! (180deg=-1.96!) USER MOD Single : A 48 ASN : amide:sc= -0.657 K(o=-0.66,f=-10!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -7:sc= 0.303 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -52:sc= 0.314 USER MOD Single : A 61 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.2!) USER MOD Single : A 63 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.36) USER MOD Single : A 66 MET CE :methyl -174:sc= -0.0548 (180deg=-0.0794) USER MOD Single : A 67 SER OG : rot -60:sc= 0.0688 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 73 SER OG : rot -3:sc= 0.388 USER MOD Single : A 74 THR OG1 : rot 47:sc= 0.856 USER MOD Single : A 85 TYR OH : rot -21:sc= 0.727 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00382 USER MOD Single : A 97 MET CE :methyl -108:sc= -4.51! (180deg=-10.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.984 -7.873 -16.971 1.00 0.00 N ATOM 2 CA GLU A 1 -2.571 -6.711 -17.701 1.00 0.00 C ATOM 3 C GLU A 1 -2.437 -5.448 -16.790 1.00 0.00 C ATOM 4 O GLU A 1 -2.241 -5.621 -15.609 1.00 0.00 O ATOM 5 CB GLU A 1 -4.000 -7.098 -17.977 1.00 0.00 C ATOM 6 CG GLU A 1 -4.771 -5.975 -18.709 1.00 0.00 C ATOM 7 CD GLU A 1 -6.186 -6.478 -18.947 1.00 0.00 C ATOM 8 OE1 GLU A 1 -6.779 -6.740 -17.917 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.533 -6.567 -20.100 1.00 0.00 O ATOM 0 H1 GLU A 1 -2.335 -8.758 -17.388 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.947 -7.842 -17.046 1.00 0.00 H new ATOM 0 H3 GLU A 1 -2.260 -7.829 -15.969 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.074 -6.470 -18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.020 -8.005 -18.581 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.501 -7.329 -17.037 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -4.783 -5.064 -18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -4.287 -5.729 -19.654 1.00 0.00 H new ATOM 18 N THR A 2 -2.523 -4.233 -17.261 1.00 0.00 N ATOM 19 CA THR A 2 -2.381 -3.023 -16.354 1.00 0.00 C ATOM 20 C THR A 2 -3.647 -2.225 -16.014 1.00 0.00 C ATOM 21 O THR A 2 -4.490 -1.928 -16.833 1.00 0.00 O ATOM 22 CB THR A 2 -1.374 -2.000 -16.961 1.00 0.00 C ATOM 23 OG1 THR A 2 -1.206 -1.076 -15.904 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.946 -1.064 -18.003 1.00 0.00 C ATOM 0 H THR A 2 -2.687 -4.010 -18.243 1.00 0.00 H new ATOM 0 HA THR A 2 -2.050 -3.485 -15.424 1.00 0.00 H new ATOM 0 HB THR A 2 -0.540 -2.567 -17.374 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.267 -1.067 -15.623 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.163 -0.395 -18.360 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.336 -1.645 -18.839 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.752 -0.477 -17.562 1.00 0.00 H new ATOM 32 N TYR A 3 -3.711 -1.915 -14.759 1.00 0.00 N ATOM 33 CA TYR A 3 -4.833 -1.132 -14.161 1.00 0.00 C ATOM 34 C TYR A 3 -4.240 0.230 -13.718 1.00 0.00 C ATOM 35 O TYR A 3 -3.131 0.255 -13.235 1.00 0.00 O ATOM 36 CB TYR A 3 -5.352 -2.030 -13.003 1.00 0.00 C ATOM 37 CG TYR A 3 -5.670 -3.436 -13.567 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.329 -3.570 -14.775 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.307 -4.586 -12.890 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.624 -4.806 -15.297 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.607 -5.828 -13.424 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.265 -5.932 -14.627 1.00 0.00 C ATOM 43 OH TYR A 3 -6.581 -7.152 -15.168 1.00 0.00 O ATOM 0 H TYR A 3 -2.996 -2.184 -14.083 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.669 -0.898 -14.820 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.603 -2.100 -12.215 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.244 -1.592 -12.556 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.618 -2.684 -15.320 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.789 -4.515 -11.945 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.142 -4.883 -16.241 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.322 -6.723 -12.891 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.675 -7.065 -16.140 1.00 0.00 H new ATOM 53 N THR A 4 -4.936 1.318 -13.862 1.00 0.00 N ATOM 54 CA THR A 4 -4.394 2.666 -13.452 1.00 0.00 C ATOM 55 C THR A 4 -4.894 3.158 -12.090 1.00 0.00 C ATOM 56 O THR A 4 -6.005 3.642 -11.977 1.00 0.00 O ATOM 57 CB THR A 4 -4.793 3.679 -14.514 1.00 0.00 C ATOM 58 OG1 THR A 4 -6.196 3.511 -14.638 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.351 3.269 -15.895 1.00 0.00 C ATOM 0 H THR A 4 -5.878 1.344 -14.253 1.00 0.00 H new ATOM 0 HA THR A 4 -3.313 2.559 -13.360 1.00 0.00 H new ATOM 0 HB THR A 4 -4.393 4.653 -14.232 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.613 3.578 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.660 4.026 -16.616 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.266 3.171 -15.915 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.807 2.313 -16.154 1.00 0.00 H new ATOM 67 N VAL A 5 -4.078 3.031 -11.087 1.00 0.00 N ATOM 68 CA VAL A 5 -4.459 3.470 -9.714 1.00 0.00 C ATOM 69 C VAL A 5 -3.667 4.695 -9.185 1.00 0.00 C ATOM 70 O VAL A 5 -2.629 5.093 -9.692 1.00 0.00 O ATOM 71 CB VAL A 5 -4.269 2.238 -8.799 1.00 0.00 C ATOM 72 CG1 VAL A 5 -5.204 1.105 -9.254 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.839 1.683 -8.878 1.00 0.00 C ATOM 0 H VAL A 5 -3.142 2.633 -11.159 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.491 3.820 -9.728 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.486 2.564 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.067 0.239 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.239 1.442 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.969 0.830 -10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.747 0.818 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.621 1.384 -9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.132 2.452 -8.566 1.00 0.00 H new ATOM 83 N LYS A 6 -4.187 5.276 -8.143 1.00 0.00 N ATOM 84 CA LYS A 6 -3.524 6.482 -7.524 1.00 0.00 C ATOM 85 C LYS A 6 -3.055 6.288 -6.062 1.00 0.00 C ATOM 86 O LYS A 6 -3.665 5.605 -5.264 1.00 0.00 O ATOM 87 CB LYS A 6 -4.525 7.661 -7.599 1.00 0.00 C ATOM 88 CG LYS A 6 -4.728 8.101 -9.070 1.00 0.00 C ATOM 89 CD LYS A 6 -5.913 9.125 -9.207 1.00 0.00 C ATOM 90 CE LYS A 6 -5.721 10.433 -8.432 1.00 0.00 C ATOM 91 NZ LYS A 6 -5.939 10.131 -7.001 1.00 0.00 N ATOM 0 H LYS A 6 -5.046 4.975 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.612 6.672 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.480 7.364 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.155 8.500 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.810 8.553 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.929 7.226 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.052 9.361 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.830 8.647 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.719 10.832 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.425 11.191 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.900 10.421 -6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.827 9.110 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.244 10.650 -6.427 1.00 0.00 H new ATOM 105 N LEU A 7 -1.963 6.935 -5.790 1.00 0.00 N ATOM 106 CA LEU A 7 -1.297 6.921 -4.444 1.00 0.00 C ATOM 107 C LEU A 7 -1.398 8.330 -3.791 1.00 0.00 C ATOM 108 O LEU A 7 -0.465 9.081 -3.582 1.00 0.00 O ATOM 109 CB LEU A 7 0.168 6.444 -4.702 1.00 0.00 C ATOM 110 CG LEU A 7 0.761 6.975 -6.004 1.00 0.00 C ATOM 111 CD1 LEU A 7 0.744 8.472 -5.978 1.00 0.00 C ATOM 112 CD2 LEU A 7 2.220 6.553 -6.085 1.00 0.00 C ATOM 0 H LEU A 7 -1.473 7.506 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.773 6.246 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.797 6.761 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.189 5.354 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 7 0.185 6.590 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.167 8.857 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.283 8.822 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.336 8.828 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.656 6.926 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.765 6.964 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.286 5.465 -6.066 1.00 0.00 H new ATOM 124 N GLY A 8 -2.608 8.646 -3.470 1.00 0.00 N ATOM 125 CA GLY A 8 -2.982 9.957 -2.832 1.00 0.00 C ATOM 126 C GLY A 8 -4.151 10.459 -3.636 1.00 0.00 C ATOM 127 O GLY A 8 -4.147 10.380 -4.851 1.00 0.00 O ATOM 0 H GLY A 8 -3.404 8.027 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.251 9.824 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.151 10.662 -2.861 1.00 0.00 H new ATOM 131 N SER A 9 -5.125 10.995 -2.971 1.00 0.00 N ATOM 132 CA SER A 9 -6.313 11.492 -3.739 1.00 0.00 C ATOM 133 C SER A 9 -6.305 12.968 -4.084 1.00 0.00 C ATOM 134 O SER A 9 -5.470 13.731 -3.640 1.00 0.00 O ATOM 135 CB SER A 9 -7.587 11.175 -2.934 1.00 0.00 C ATOM 136 OG SER A 9 -7.499 12.056 -1.811 1.00 0.00 O ATOM 0 H SER A 9 -5.163 11.114 -1.959 1.00 0.00 H new ATOM 0 HA SER A 9 -6.278 10.974 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.488 11.359 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.616 10.131 -2.624 1.00 0.00 H new ATOM 0 HG SER A 9 -6.628 11.946 -1.376 1.00 0.00 H new ATOM 142 N ASP A 10 -7.265 13.303 -4.884 1.00 0.00 N ATOM 143 CA ASP A 10 -7.446 14.700 -5.356 1.00 0.00 C ATOM 144 C ASP A 10 -8.352 15.517 -4.384 1.00 0.00 C ATOM 145 O ASP A 10 -8.111 16.675 -4.092 1.00 0.00 O ATOM 146 CB ASP A 10 -8.006 14.508 -6.786 1.00 0.00 C ATOM 147 CG ASP A 10 -8.388 15.841 -7.325 1.00 0.00 C ATOM 148 OD1 ASP A 10 -7.528 16.688 -7.407 1.00 0.00 O ATOM 149 OD2 ASP A 10 -9.546 16.013 -7.629 1.00 0.00 O ATOM 0 H ASP A 10 -7.957 12.646 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.536 15.299 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.258 14.040 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.870 13.844 -6.769 1.00 0.00 H new ATOM 154 N LYS A 11 -9.406 14.896 -3.938 1.00 0.00 N ATOM 155 CA LYS A 11 -10.351 15.574 -2.982 1.00 0.00 C ATOM 156 C LYS A 11 -10.546 14.910 -1.584 1.00 0.00 C ATOM 157 O LYS A 11 -11.536 15.174 -0.936 1.00 0.00 O ATOM 158 CB LYS A 11 -11.700 15.698 -3.759 1.00 0.00 C ATOM 159 CG LYS A 11 -11.482 16.487 -5.088 1.00 0.00 C ATOM 160 CD LYS A 11 -11.115 17.991 -4.806 1.00 0.00 C ATOM 161 CE LYS A 11 -10.596 18.691 -6.063 1.00 0.00 C ATOM 162 NZ LYS A 11 -9.186 18.269 -6.262 1.00 0.00 N ATOM 0 H LYS A 11 -9.663 13.942 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.917 16.532 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.096 14.706 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.439 16.208 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.685 16.018 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.386 16.439 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.994 18.517 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.358 18.040 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.202 18.423 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.660 19.774 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.587 19.109 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.862 17.736 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.120 17.665 -7.106 1.00 0.00 H new ATOM 176 N GLY A 12 -9.632 14.076 -1.145 1.00 0.00 N ATOM 177 CA GLY A 12 -9.789 13.409 0.218 1.00 0.00 C ATOM 178 C GLY A 12 -8.616 13.549 1.205 1.00 0.00 C ATOM 179 O GLY A 12 -8.762 14.128 2.256 1.00 0.00 O ATOM 0 H GLY A 12 -8.787 13.821 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.682 13.816 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.970 12.346 0.056 1.00 0.00 H new ATOM 183 N LEU A 13 -7.493 13.008 0.819 1.00 0.00 N ATOM 184 CA LEU A 13 -6.206 13.015 1.627 1.00 0.00 C ATOM 185 C LEU A 13 -5.123 12.092 0.969 1.00 0.00 C ATOM 186 O LEU A 13 -5.233 11.693 -0.179 1.00 0.00 O ATOM 187 CB LEU A 13 -6.511 12.515 3.107 1.00 0.00 C ATOM 188 CG LEU A 13 -5.920 13.436 4.220 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.401 13.586 4.139 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.535 14.831 4.132 1.00 0.00 C ATOM 0 H LEU A 13 -7.397 12.529 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.816 14.033 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.590 12.446 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.109 11.509 3.230 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.164 12.952 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.057 14.239 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.933 12.607 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.129 14.020 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.115 15.464 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.315 15.265 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.615 14.761 4.263 1.00 0.00 H new ATOM 202 N LEU A 14 -4.104 11.762 1.711 1.00 0.00 N ATOM 203 CA LEU A 14 -2.992 10.880 1.203 1.00 0.00 C ATOM 204 C LEU A 14 -3.306 9.367 1.367 1.00 0.00 C ATOM 205 O LEU A 14 -2.635 8.620 2.054 1.00 0.00 O ATOM 206 CB LEU A 14 -1.692 11.274 1.974 1.00 0.00 C ATOM 207 CG LEU A 14 -1.132 12.620 1.484 1.00 0.00 C ATOM 208 CD1 LEU A 14 0.014 13.025 2.411 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.491 12.422 0.102 1.00 0.00 C ATOM 0 H LEU A 14 -3.984 12.071 2.676 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.869 11.036 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.905 11.334 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.940 10.496 1.842 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.934 13.358 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.428 13.978 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.360 13.123 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.792 12.262 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.091 13.372 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.316 11.694 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.243 12.060 -0.599 1.00 0.00 H new ATOM 221 N VAL A 15 -4.360 8.995 0.706 1.00 0.00 N ATOM 222 CA VAL A 15 -4.879 7.579 0.688 1.00 0.00 C ATOM 223 C VAL A 15 -4.703 6.983 -0.743 1.00 0.00 C ATOM 224 O VAL A 15 -4.178 7.658 -1.605 1.00 0.00 O ATOM 225 CB VAL A 15 -6.371 7.674 1.145 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.196 8.483 0.124 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.043 6.294 1.265 1.00 0.00 C ATOM 0 H VAL A 15 -4.919 9.639 0.146 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.338 6.907 1.355 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.352 8.156 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.232 8.540 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.786 9.489 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.154 7.992 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.077 6.420 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.021 5.793 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.507 5.691 1.998 1.00 0.00 H new ATOM 237 N PHE A 16 -5.116 5.771 -0.988 1.00 0.00 N ATOM 238 CA PHE A 16 -4.961 5.177 -2.369 1.00 0.00 C ATOM 239 C PHE A 16 -6.320 4.884 -3.060 1.00 0.00 C ATOM 240 O PHE A 16 -7.258 4.419 -2.436 1.00 0.00 O ATOM 241 CB PHE A 16 -4.165 3.846 -2.277 1.00 0.00 C ATOM 242 CG PHE A 16 -2.705 4.030 -1.854 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.380 4.377 -0.563 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.691 3.834 -2.769 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.064 4.527 -0.187 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.370 3.982 -2.396 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.057 4.329 -1.102 1.00 0.00 C ATOM 0 H PHE A 16 -5.555 5.158 -0.301 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.432 5.918 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.660 3.185 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.193 3.348 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.165 4.533 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.933 3.562 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.822 4.801 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.417 3.826 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.975 4.445 -0.806 1.00 0.00 H new ATOM 257 N GLU A 17 -6.363 5.150 -4.331 1.00 0.00 N ATOM 258 CA GLU A 17 -7.598 4.927 -5.165 1.00 0.00 C ATOM 259 C GLU A 17 -7.342 3.789 -6.207 1.00 0.00 C ATOM 260 O GLU A 17 -6.597 4.000 -7.149 1.00 0.00 O ATOM 261 CB GLU A 17 -7.947 6.251 -5.890 1.00 0.00 C ATOM 262 CG GLU A 17 -8.277 7.401 -4.858 1.00 0.00 C ATOM 263 CD GLU A 17 -7.490 8.646 -5.161 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.288 8.551 -5.029 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.057 9.663 -5.526 1.00 0.00 O ATOM 0 H GLU A 17 -5.572 5.526 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.430 4.625 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.111 6.554 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.802 6.094 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.343 7.625 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.051 7.062 -3.847 1.00 0.00 H new ATOM 272 N PRO A 18 -7.924 2.618 -6.035 1.00 0.00 N ATOM 273 CA PRO A 18 -8.673 2.115 -4.838 1.00 0.00 C ATOM 274 C PRO A 18 -7.839 1.198 -3.880 1.00 0.00 C ATOM 275 O PRO A 18 -7.534 0.075 -4.214 1.00 0.00 O ATOM 276 CB PRO A 18 -9.845 1.437 -5.521 1.00 0.00 C ATOM 277 CG PRO A 18 -9.138 0.683 -6.691 1.00 0.00 C ATOM 278 CD PRO A 18 -7.938 1.585 -7.103 1.00 0.00 C ATOM 0 HA PRO A 18 -8.962 2.891 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.369 0.755 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.580 2.156 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.797 -0.302 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.819 0.530 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.003 1.025 -7.137 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.082 2.025 -8.090 1.00 0.00 H new ATOM 286 N ALA A 19 -7.500 1.713 -2.728 1.00 0.00 N ATOM 287 CA ALA A 19 -6.702 1.006 -1.656 1.00 0.00 C ATOM 288 C ALA A 19 -6.296 -0.493 -1.848 1.00 0.00 C ATOM 289 O ALA A 19 -5.140 -0.838 -1.693 1.00 0.00 O ATOM 290 CB ALA A 19 -7.526 1.212 -0.363 1.00 0.00 C ATOM 0 H ALA A 19 -7.760 2.663 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.706 1.450 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.019 0.729 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.624 2.278 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.516 0.774 -0.489 1.00 0.00 H new ATOM 296 N LYS A 20 -7.255 -1.320 -2.154 1.00 0.00 N ATOM 297 CA LYS A 20 -6.994 -2.785 -2.369 1.00 0.00 C ATOM 298 C LYS A 20 -7.234 -3.226 -3.861 1.00 0.00 C ATOM 299 O LYS A 20 -8.335 -3.231 -4.393 1.00 0.00 O ATOM 300 CB LYS A 20 -7.918 -3.555 -1.329 1.00 0.00 C ATOM 301 CG LYS A 20 -9.390 -3.659 -1.782 1.00 0.00 C ATOM 302 CD LYS A 20 -9.568 -4.960 -2.648 1.00 0.00 C ATOM 303 CE LYS A 20 -10.759 -4.763 -3.562 1.00 0.00 C ATOM 304 NZ LYS A 20 -10.767 -5.870 -4.571 1.00 0.00 N ATOM 0 H LYS A 20 -8.230 -1.044 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.946 -3.028 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.521 -4.558 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.876 -3.043 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.050 -3.691 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.669 -2.779 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.669 -5.153 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.722 -5.826 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.684 -4.768 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.699 -3.796 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.816 -5.467 -5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.897 -6.432 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.593 -6.481 -4.410 1.00 0.00 H new ATOM 318 N LEU A 21 -6.173 -3.608 -4.505 1.00 0.00 N ATOM 319 CA LEU A 21 -6.251 -4.057 -5.946 1.00 0.00 C ATOM 320 C LEU A 21 -6.299 -5.593 -6.050 1.00 0.00 C ATOM 321 O LEU A 21 -5.390 -6.240 -5.587 1.00 0.00 O ATOM 322 CB LEU A 21 -5.003 -3.587 -6.710 1.00 0.00 C ATOM 323 CG LEU A 21 -5.103 -3.791 -8.286 1.00 0.00 C ATOM 324 CD1 LEU A 21 -3.692 -3.906 -8.826 1.00 0.00 C ATOM 325 CD2 LEU A 21 -5.879 -5.044 -8.799 1.00 0.00 C ATOM 0 H LEU A 21 -5.236 -3.634 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.159 -3.627 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.835 -2.531 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.134 -4.129 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.673 -2.930 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.726 -4.047 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.139 -2.995 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.194 -4.759 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.868 -5.058 -9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.402 -5.948 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.910 -5.003 -8.447 1.00 0.00 H new ATOM 337 N THR A 22 -7.299 -6.182 -6.636 1.00 0.00 N ATOM 338 CA THR A 22 -7.294 -7.693 -6.724 1.00 0.00 C ATOM 339 C THR A 22 -6.797 -8.081 -8.124 1.00 0.00 C ATOM 340 O THR A 22 -7.532 -8.026 -9.091 1.00 0.00 O ATOM 341 CB THR A 22 -8.703 -8.278 -6.517 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.086 -7.890 -5.197 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.618 -9.798 -6.361 1.00 0.00 C ATOM 0 H THR A 22 -8.104 -5.713 -7.051 1.00 0.00 H new ATOM 0 HA THR A 22 -6.647 -8.091 -5.942 1.00 0.00 H new ATOM 0 HB THR A 22 -9.349 -7.964 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.907 -8.362 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.618 -10.205 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.177 -10.232 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.998 -10.041 -5.498 1.00 0.00 H new ATOM 351 N ILE A 23 -5.548 -8.454 -8.191 1.00 0.00 N ATOM 352 CA ILE A 23 -4.904 -8.858 -9.485 1.00 0.00 C ATOM 353 C ILE A 23 -4.800 -10.365 -9.654 1.00 0.00 C ATOM 354 O ILE A 23 -5.184 -11.125 -8.780 1.00 0.00 O ATOM 355 CB ILE A 23 -3.431 -8.335 -9.629 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.538 -8.867 -8.499 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.378 -6.851 -9.590 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.080 -8.928 -9.027 1.00 0.00 C ATOM 0 H ILE A 23 -4.927 -8.498 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.561 -8.416 -10.234 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.069 -8.695 -10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.600 -8.217 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.871 -9.856 -8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.344 -6.521 -9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.971 -6.444 -10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.780 -6.497 -8.640 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.424 -9.304 -8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.033 -9.594 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.758 -7.929 -9.322 1.00 0.00 H new ATOM 370 N LYS A 24 -4.260 -10.738 -10.779 1.00 0.00 N ATOM 371 CA LYS A 24 -4.096 -12.179 -11.060 1.00 0.00 C ATOM 372 C LYS A 24 -2.596 -12.487 -10.789 1.00 0.00 C ATOM 373 O LYS A 24 -1.832 -11.563 -10.579 1.00 0.00 O ATOM 374 CB LYS A 24 -4.409 -12.456 -12.538 1.00 0.00 C ATOM 375 CG LYS A 24 -5.601 -11.646 -13.055 1.00 0.00 C ATOM 376 CD LYS A 24 -5.168 -11.192 -14.462 1.00 0.00 C ATOM 377 CE LYS A 24 -6.016 -10.070 -14.946 1.00 0.00 C ATOM 378 NZ LYS A 24 -5.649 -8.974 -14.032 1.00 0.00 N ATOM 0 H LYS A 24 -3.928 -10.107 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.761 -12.790 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.530 -12.225 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.614 -13.519 -12.668 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.507 -12.251 -13.093 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.813 -10.794 -12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.124 -10.880 -14.442 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.237 -12.030 -15.156 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.803 -9.820 -15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.078 -10.309 -14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.861 -8.061 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.194 -9.060 -13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.633 -9.026 -13.817 1.00 0.00 H new ATOM 392 N PRO A 25 -2.150 -13.717 -10.794 1.00 0.00 N ATOM 393 CA PRO A 25 -0.684 -13.993 -10.728 1.00 0.00 C ATOM 394 C PRO A 25 0.093 -13.469 -11.987 1.00 0.00 C ATOM 395 O PRO A 25 0.589 -14.243 -12.782 1.00 0.00 O ATOM 396 CB PRO A 25 -0.643 -15.522 -10.518 1.00 0.00 C ATOM 397 CG PRO A 25 -1.908 -15.984 -11.289 1.00 0.00 C ATOM 398 CD PRO A 25 -2.977 -14.956 -10.873 1.00 0.00 C ATOM 0 HA PRO A 25 -0.166 -13.462 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.267 -15.966 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.687 -15.791 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.745 -15.980 -12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.198 -16.998 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.779 -14.873 -11.607 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.442 -15.205 -9.919 1.00 0.00 H new ATOM 406 N GLY A 26 0.192 -12.167 -12.144 1.00 0.00 N ATOM 407 CA GLY A 26 0.934 -11.596 -13.347 1.00 0.00 C ATOM 408 C GLY A 26 0.341 -10.408 -14.132 1.00 0.00 C ATOM 409 O GLY A 26 -0.090 -10.547 -15.264 1.00 0.00 O ATOM 0 H GLY A 26 -0.199 -11.473 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.923 -11.295 -13.003 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.078 -12.412 -14.055 1.00 0.00 H new ATOM 413 N ASP A 27 0.319 -9.251 -13.528 1.00 0.00 N ATOM 414 CA ASP A 27 -0.230 -8.048 -14.236 1.00 0.00 C ATOM 415 C ASP A 27 0.817 -6.907 -14.514 1.00 0.00 C ATOM 416 O ASP A 27 1.957 -6.970 -14.129 1.00 0.00 O ATOM 417 CB ASP A 27 -1.459 -7.556 -13.378 1.00 0.00 C ATOM 418 CG ASP A 27 -2.718 -8.326 -13.700 1.00 0.00 C ATOM 419 OD1 ASP A 27 -3.162 -8.244 -14.830 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.233 -8.975 -12.829 1.00 0.00 O ATOM 0 H ASP A 27 0.655 -9.082 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.533 -8.330 -15.244 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.228 -7.665 -12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.627 -6.494 -13.560 1.00 0.00 H new ATOM 425 N THR A 28 0.370 -5.896 -15.198 1.00 0.00 N ATOM 426 CA THR A 28 1.176 -4.680 -15.608 1.00 0.00 C ATOM 427 C THR A 28 0.758 -3.322 -15.046 1.00 0.00 C ATOM 428 O THR A 28 1.077 -2.261 -15.535 1.00 0.00 O ATOM 429 CB THR A 28 1.126 -4.596 -17.109 1.00 0.00 C ATOM 430 OG1 THR A 28 1.519 -5.900 -17.484 1.00 0.00 O ATOM 431 CG2 THR A 28 2.252 -3.790 -17.679 1.00 0.00 C ATOM 0 H THR A 28 -0.597 -5.849 -15.520 1.00 0.00 H new ATOM 0 HA THR A 28 2.166 -4.848 -15.184 1.00 0.00 H new ATOM 0 HB THR A 28 0.163 -4.197 -17.428 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.346 -6.139 -17.017 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.166 -3.763 -18.765 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.208 -2.774 -17.286 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.203 -4.246 -17.401 1.00 0.00 H new ATOM 439 N VAL A 29 0.030 -3.442 -14.005 1.00 0.00 N ATOM 440 CA VAL A 29 -0.564 -2.287 -13.190 1.00 0.00 C ATOM 441 C VAL A 29 0.306 -0.991 -13.088 1.00 0.00 C ATOM 442 O VAL A 29 1.511 -1.003 -12.936 1.00 0.00 O ATOM 443 CB VAL A 29 -0.866 -2.800 -11.757 1.00 0.00 C ATOM 444 CG1 VAL A 29 -1.650 -1.737 -10.968 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.686 -4.095 -11.785 1.00 0.00 C ATOM 0 H VAL A 29 -0.219 -4.355 -13.625 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.457 -1.982 -13.735 1.00 0.00 H new ATOM 0 HB VAL A 29 0.091 -2.999 -11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.856 -2.108 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.060 -0.823 -10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.590 -1.526 -11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.879 -4.426 -10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.633 -3.915 -12.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.130 -4.867 -12.317 1.00 0.00 H new ATOM 455 N GLU A 30 -0.378 0.115 -13.177 1.00 0.00 N ATOM 456 CA GLU A 30 0.222 1.473 -13.112 1.00 0.00 C ATOM 457 C GLU A 30 -0.163 2.328 -11.875 1.00 0.00 C ATOM 458 O GLU A 30 -1.317 2.449 -11.505 1.00 0.00 O ATOM 459 CB GLU A 30 -0.182 2.211 -14.433 1.00 0.00 C ATOM 460 CG GLU A 30 1.085 2.468 -15.318 1.00 0.00 C ATOM 461 CD GLU A 30 2.065 3.467 -14.721 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.146 3.577 -13.514 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.720 4.093 -15.530 1.00 0.00 O ATOM 0 H GLU A 30 -1.391 0.128 -13.300 1.00 0.00 H new ATOM 0 HA GLU A 30 1.299 1.345 -13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.906 1.612 -14.986 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.667 3.158 -14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.601 1.521 -15.480 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.765 2.828 -16.296 1.00 0.00 H new ATOM 470 N PHE A 31 0.843 2.906 -11.291 1.00 0.00 N ATOM 471 CA PHE A 31 0.704 3.782 -10.081 1.00 0.00 C ATOM 472 C PHE A 31 1.041 5.249 -10.463 1.00 0.00 C ATOM 473 O PHE A 31 2.163 5.576 -10.801 1.00 0.00 O ATOM 474 CB PHE A 31 1.671 3.217 -9.012 1.00 0.00 C ATOM 475 CG PHE A 31 1.104 1.913 -8.435 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.238 1.941 -7.361 1.00 0.00 C ATOM 477 CD2 PHE A 31 1.447 0.698 -8.984 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.281 0.771 -6.843 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.932 -0.475 -8.470 1.00 0.00 C ATOM 480 CZ PHE A 31 0.068 -0.439 -7.398 1.00 0.00 C ATOM 0 H PHE A 31 1.805 2.806 -11.614 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.312 3.787 -9.687 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.650 3.034 -9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.813 3.947 -8.215 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.037 2.888 -6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.125 0.662 -9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.960 0.805 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.207 -1.423 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.334 -1.357 -6.995 1.00 0.00 H new ATOM 490 N LEU A 32 0.068 6.114 -10.407 1.00 0.00 N ATOM 491 CA LEU A 32 0.293 7.555 -10.762 1.00 0.00 C ATOM 492 C LEU A 32 0.534 8.543 -9.575 1.00 0.00 C ATOM 493 O LEU A 32 -0.218 8.529 -8.620 1.00 0.00 O ATOM 494 CB LEU A 32 -0.950 7.902 -11.619 1.00 0.00 C ATOM 495 CG LEU A 32 -0.846 9.261 -12.338 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.902 9.252 -13.442 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.259 10.400 -11.402 1.00 0.00 C ATOM 0 H LEU A 32 -0.887 5.888 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 32 1.240 7.678 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.099 7.118 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.832 7.906 -10.979 1.00 0.00 H new ATOM 0 HG LEU A 32 0.175 9.404 -12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.870 10.197 -13.984 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.701 8.432 -14.131 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.890 9.121 -13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.179 11.351 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.289 10.250 -11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.604 10.411 -10.531 1.00 0.00 H new ATOM 509 N ASN A 33 1.567 9.359 -9.687 1.00 0.00 N ATOM 510 CA ASN A 33 2.004 10.412 -8.670 1.00 0.00 C ATOM 511 C ASN A 33 0.970 11.554 -8.447 1.00 0.00 C ATOM 512 O ASN A 33 1.287 12.723 -8.520 1.00 0.00 O ATOM 513 CB ASN A 33 3.346 10.984 -9.175 1.00 0.00 C ATOM 514 CG ASN A 33 4.483 10.084 -8.803 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.927 10.051 -7.685 1.00 0.00 O ATOM 516 ND2 ASN A 33 5.009 9.323 -9.682 1.00 0.00 N ATOM 0 H ASN A 33 2.175 9.339 -10.505 1.00 0.00 H new ATOM 0 HA ASN A 33 2.097 9.935 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.311 11.104 -10.258 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.507 11.975 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.783 8.710 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.655 9.328 -10.639 1.00 0.00 H new ATOM 523 N ASN A 34 -0.242 11.191 -8.155 1.00 0.00 N ATOM 524 CA ASN A 34 -1.364 12.171 -7.929 1.00 0.00 C ATOM 525 C ASN A 34 -1.053 13.712 -8.009 1.00 0.00 C ATOM 526 O ASN A 34 -1.228 14.350 -9.034 1.00 0.00 O ATOM 527 CB ASN A 34 -1.960 11.740 -6.551 1.00 0.00 C ATOM 528 CG ASN A 34 -3.244 12.480 -6.274 1.00 0.00 C ATOM 529 OD1 ASN A 34 -4.194 12.370 -7.010 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.352 13.241 -5.246 1.00 0.00 N ATOM 0 H ASN A 34 -0.524 10.216 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.055 12.106 -8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.145 10.666 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.240 11.941 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.226 13.735 -5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.564 13.351 -4.608 1.00 0.00 H new ATOM 537 N LYS A 35 -0.595 14.299 -6.941 1.00 0.00 N ATOM 538 CA LYS A 35 -0.278 15.781 -6.962 1.00 0.00 C ATOM 539 C LYS A 35 0.655 16.278 -5.857 1.00 0.00 C ATOM 540 O LYS A 35 1.395 17.231 -5.970 1.00 0.00 O ATOM 541 CB LYS A 35 -1.646 16.537 -6.940 1.00 0.00 C ATOM 542 CG LYS A 35 -1.464 18.063 -7.180 1.00 0.00 C ATOM 543 CD LYS A 35 -1.343 18.462 -8.699 1.00 0.00 C ATOM 544 CE LYS A 35 -0.125 17.902 -9.452 1.00 0.00 C ATOM 545 NZ LYS A 35 -0.472 16.537 -9.961 1.00 0.00 N ATOM 0 H LYS A 35 -0.422 13.832 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 35 0.294 15.985 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.302 16.124 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.136 16.376 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.310 18.593 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.570 18.399 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.246 18.132 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.318 19.550 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.144 18.558 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.740 17.852 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.391 16.060 -10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.903 15.980 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.145 16.621 -10.749 1.00 0.00 H new ATOM 559 N VAL A 36 0.524 15.529 -4.836 1.00 0.00 N ATOM 560 CA VAL A 36 1.271 15.691 -3.548 1.00 0.00 C ATOM 561 C VAL A 36 2.281 14.514 -3.466 1.00 0.00 C ATOM 562 O VAL A 36 1.852 13.378 -3.373 1.00 0.00 O ATOM 563 CB VAL A 36 0.254 15.635 -2.382 1.00 0.00 C ATOM 564 CG1 VAL A 36 0.981 15.923 -1.058 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.814 16.726 -2.558 1.00 0.00 C ATOM 0 H VAL A 36 -0.121 14.739 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 36 1.803 16.641 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.206 14.647 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.267 15.884 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.758 15.175 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.434 16.914 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.524 16.677 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.336 17.705 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.341 16.571 -3.499 1.00 0.00 H new ATOM 575 N PRO A 37 3.562 14.787 -3.529 1.00 0.00 N ATOM 576 CA PRO A 37 4.643 13.770 -3.337 1.00 0.00 C ATOM 577 C PRO A 37 5.250 13.771 -1.884 1.00 0.00 C ATOM 578 O PRO A 37 4.736 14.438 -1.005 1.00 0.00 O ATOM 579 CB PRO A 37 5.566 14.193 -4.472 1.00 0.00 C ATOM 580 CG PRO A 37 5.575 15.749 -4.310 1.00 0.00 C ATOM 581 CD PRO A 37 4.144 16.127 -3.838 1.00 0.00 C ATOM 0 HA PRO A 37 4.348 12.722 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.563 13.765 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.185 13.885 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.324 16.063 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.820 16.240 -5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.160 16.778 -2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.582 16.648 -4.613 1.00 0.00 H new ATOM 589 N PRO A 38 6.306 13.026 -1.629 1.00 0.00 N ATOM 590 CA PRO A 38 6.879 11.940 -2.480 1.00 0.00 C ATOM 591 C PRO A 38 6.468 10.515 -2.015 1.00 0.00 C ATOM 592 O PRO A 38 6.533 10.151 -0.857 1.00 0.00 O ATOM 593 CB PRO A 38 8.357 12.265 -2.373 1.00 0.00 C ATOM 594 CG PRO A 38 8.496 12.585 -0.839 1.00 0.00 C ATOM 595 CD PRO A 38 7.130 13.213 -0.404 1.00 0.00 C ATOM 0 HA PRO A 38 6.521 11.913 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.985 11.427 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.637 13.114 -2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.709 11.680 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.319 13.277 -0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.702 12.703 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.230 14.265 -0.135 1.00 0.00 H new ATOM 603 N HIS A 39 6.060 9.706 -2.946 1.00 0.00 N ATOM 604 CA HIS A 39 5.632 8.307 -2.581 1.00 0.00 C ATOM 605 C HIS A 39 6.749 7.264 -2.843 1.00 0.00 C ATOM 606 O HIS A 39 6.780 6.602 -3.855 1.00 0.00 O ATOM 607 CB HIS A 39 4.356 7.999 -3.406 1.00 0.00 C ATOM 608 CG HIS A 39 3.360 9.166 -3.355 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.446 9.379 -2.404 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.292 10.155 -4.316 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.841 10.479 -2.801 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.338 10.916 -3.900 1.00 0.00 N ATOM 0 H HIS A 39 6.000 9.937 -3.938 1.00 0.00 H new ATOM 0 HA HIS A 39 5.427 8.243 -1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.630 7.798 -4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.881 7.097 -3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.895 10.265 -5.205 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.029 10.953 -2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.020 11.757 -4.382 1.00 0.00 H new ATOM 620 N ASN A 40 7.647 7.131 -1.909 1.00 0.00 N ATOM 621 CA ASN A 40 8.808 6.156 -2.012 1.00 0.00 C ATOM 622 C ASN A 40 8.279 4.714 -1.658 1.00 0.00 C ATOM 623 O ASN A 40 8.876 3.992 -0.875 1.00 0.00 O ATOM 624 CB ASN A 40 9.826 6.806 -1.012 1.00 0.00 C ATOM 625 CG ASN A 40 11.241 6.292 -1.019 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.902 6.158 -2.022 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.810 5.976 0.090 1.00 0.00 N ATOM 0 H ASN A 40 7.637 7.669 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 40 9.279 6.008 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.857 7.877 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.430 6.684 -0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.771 5.633 0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.301 6.068 0.969 1.00 0.00 H new ATOM 634 N VAL A 41 7.179 4.365 -2.287 1.00 0.00 N ATOM 635 CA VAL A 41 6.503 3.039 -2.067 1.00 0.00 C ATOM 636 C VAL A 41 7.179 1.673 -2.271 1.00 0.00 C ATOM 637 O VAL A 41 7.582 1.202 -3.317 1.00 0.00 O ATOM 638 CB VAL A 41 5.183 2.954 -2.881 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.180 4.056 -2.507 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.420 3.056 -4.405 1.00 0.00 C ATOM 0 H VAL A 41 6.706 4.962 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 41 6.450 3.122 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 41 4.774 1.976 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.277 3.946 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.925 3.973 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.625 5.033 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.465 2.991 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.896 4.009 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.066 2.240 -4.728 1.00 0.00 H new ATOM 650 N VAL A 42 7.266 1.026 -1.162 1.00 0.00 N ATOM 651 CA VAL A 42 7.879 -0.330 -1.069 1.00 0.00 C ATOM 652 C VAL A 42 6.906 -1.462 -0.668 1.00 0.00 C ATOM 653 O VAL A 42 5.863 -1.223 -0.096 1.00 0.00 O ATOM 654 CB VAL A 42 9.056 -0.176 -0.069 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.238 0.389 -0.843 1.00 0.00 C ATOM 656 CG2 VAL A 42 8.735 0.938 0.938 1.00 0.00 C ATOM 0 H VAL A 42 6.925 1.388 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 42 8.210 -0.654 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 42 9.240 -1.138 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.088 0.512 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.507 -0.296 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.967 1.356 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.563 1.044 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.587 1.878 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.827 0.684 1.485 1.00 0.00 H new ATOM 666 N PHE A 43 7.297 -2.667 -0.977 1.00 0.00 N ATOM 667 CA PHE A 43 6.485 -3.889 -0.672 1.00 0.00 C ATOM 668 C PHE A 43 6.998 -4.590 0.609 1.00 0.00 C ATOM 669 O PHE A 43 8.126 -5.034 0.682 1.00 0.00 O ATOM 670 CB PHE A 43 6.557 -4.812 -1.923 1.00 0.00 C ATOM 671 CG PHE A 43 5.489 -4.368 -2.944 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.479 -3.093 -3.476 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.508 -5.252 -3.342 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.513 -2.710 -4.382 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.537 -4.875 -4.250 1.00 0.00 C ATOM 676 CZ PHE A 43 3.541 -3.601 -4.770 1.00 0.00 C ATOM 0 H PHE A 43 8.180 -2.866 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 43 5.446 -3.629 -0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.549 -4.760 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.392 -5.850 -1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.239 -2.386 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.499 -6.254 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.520 -1.709 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.776 -5.579 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.784 -3.303 -5.480 1.00 0.00 H new ATOM 686 N ASP A 44 6.117 -4.633 1.563 1.00 0.00 N ATOM 687 CA ASP A 44 6.375 -5.246 2.899 1.00 0.00 C ATOM 688 C ASP A 44 6.964 -6.715 2.931 1.00 0.00 C ATOM 689 O ASP A 44 6.759 -7.526 2.046 1.00 0.00 O ATOM 690 CB ASP A 44 4.978 -5.031 3.568 1.00 0.00 C ATOM 691 CG ASP A 44 4.976 -5.200 5.063 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.797 -5.952 5.536 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.127 -4.569 5.646 1.00 0.00 O ATOM 0 H ASP A 44 5.177 -4.248 1.468 1.00 0.00 H new ATOM 0 HA ASP A 44 7.207 -4.791 3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.623 -4.029 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.268 -5.734 3.133 1.00 0.00 H new ATOM 698 N ALA A 45 7.672 -7.019 3.989 1.00 0.00 N ATOM 699 CA ALA A 45 8.328 -8.351 4.219 1.00 0.00 C ATOM 700 C ALA A 45 7.555 -9.239 5.249 1.00 0.00 C ATOM 701 O ALA A 45 7.822 -10.403 5.488 1.00 0.00 O ATOM 702 CB ALA A 45 9.767 -8.036 4.677 1.00 0.00 C ATOM 0 H ALA A 45 7.832 -6.358 4.749 1.00 0.00 H new ATOM 0 HA ALA A 45 8.326 -8.946 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.302 -8.967 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.281 -7.471 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.736 -7.447 5.593 1.00 0.00 H new ATOM 708 N ALA A 46 6.597 -8.604 5.842 1.00 0.00 N ATOM 709 CA ALA A 46 5.682 -9.185 6.861 1.00 0.00 C ATOM 710 C ALA A 46 4.287 -9.316 6.189 1.00 0.00 C ATOM 711 O ALA A 46 3.650 -10.348 6.266 1.00 0.00 O ATOM 712 CB ALA A 46 5.700 -8.209 8.056 1.00 0.00 C ATOM 0 H ALA A 46 6.394 -7.624 5.645 1.00 0.00 H new ATOM 0 HA ALA A 46 5.967 -10.173 7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.043 -8.583 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.716 -8.125 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.354 -7.228 7.730 1.00 0.00 H new ATOM 718 N LEU A 47 3.854 -8.269 5.539 1.00 0.00 N ATOM 719 CA LEU A 47 2.516 -8.294 4.854 1.00 0.00 C ATOM 720 C LEU A 47 2.552 -8.756 3.365 1.00 0.00 C ATOM 721 O LEU A 47 2.267 -8.022 2.434 1.00 0.00 O ATOM 722 CB LEU A 47 1.896 -6.863 4.963 1.00 0.00 C ATOM 723 CG LEU A 47 1.327 -6.479 6.358 1.00 0.00 C ATOM 724 CD1 LEU A 47 0.064 -7.294 6.641 1.00 0.00 C ATOM 725 CD2 LEU A 47 2.324 -6.784 7.474 1.00 0.00 C ATOM 0 H LEU A 47 4.367 -7.392 5.449 1.00 0.00 H new ATOM 0 HA LEU A 47 1.907 -9.043 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.659 -6.135 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.095 -6.777 4.228 1.00 0.00 H new ATOM 0 HG LEU A 47 1.116 -5.410 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.332 -7.023 7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.683 -7.084 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.307 -8.357 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.892 -6.503 8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.552 -7.850 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.240 -6.217 7.308 1.00 0.00 H new ATOM 737 N ASN A 48 2.942 -9.992 3.209 1.00 0.00 N ATOM 738 CA ASN A 48 3.032 -10.660 1.864 1.00 0.00 C ATOM 739 C ASN A 48 2.851 -12.195 2.112 1.00 0.00 C ATOM 740 O ASN A 48 3.274 -12.675 3.145 1.00 0.00 O ATOM 741 CB ASN A 48 4.428 -10.258 1.209 1.00 0.00 C ATOM 742 CG ASN A 48 5.652 -10.999 1.692 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.764 -12.198 1.623 1.00 0.00 O ATOM 744 ND2 ASN A 48 6.638 -10.345 2.187 1.00 0.00 N ATOM 0 H ASN A 48 3.214 -10.595 3.986 1.00 0.00 H new ATOM 0 HA ASN A 48 2.262 -10.347 1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.350 -10.400 0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.588 -9.193 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.472 -10.841 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.588 -9.329 2.265 1.00 0.00 H new ATOM 751 N PRO A 49 2.241 -12.932 1.206 1.00 0.00 N ATOM 752 CA PRO A 49 1.706 -14.311 1.507 1.00 0.00 C ATOM 753 C PRO A 49 2.603 -15.207 2.399 1.00 0.00 C ATOM 754 O PRO A 49 2.195 -15.734 3.414 1.00 0.00 O ATOM 755 CB PRO A 49 1.432 -14.880 0.088 1.00 0.00 C ATOM 756 CG PRO A 49 2.220 -13.928 -0.860 1.00 0.00 C ATOM 757 CD PRO A 49 2.024 -12.556 -0.215 1.00 0.00 C ATOM 0 HA PRO A 49 0.818 -14.275 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.778 -15.910 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.367 -14.881 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.274 -14.199 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.827 -13.955 -1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.743 -11.818 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.031 -12.145 -0.394 1.00 0.00 H new ATOM 765 N ALA A 50 3.815 -15.349 1.960 1.00 0.00 N ATOM 766 CA ALA A 50 4.836 -16.169 2.683 1.00 0.00 C ATOM 767 C ALA A 50 5.928 -15.215 3.239 1.00 0.00 C ATOM 768 O ALA A 50 7.106 -15.500 3.153 1.00 0.00 O ATOM 769 CB ALA A 50 5.373 -17.164 1.637 1.00 0.00 C ATOM 0 H ALA A 50 4.159 -14.919 1.101 1.00 0.00 H new ATOM 0 HA ALA A 50 4.443 -16.718 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.129 -17.801 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.554 -17.781 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.817 -16.615 0.807 1.00 0.00 H new ATOM 775 N LYS A 51 5.481 -14.122 3.797 1.00 0.00 N ATOM 776 CA LYS A 51 6.348 -13.051 4.390 1.00 0.00 C ATOM 777 C LYS A 51 7.882 -13.177 4.102 1.00 0.00 C ATOM 778 O LYS A 51 8.730 -13.335 4.966 1.00 0.00 O ATOM 779 CB LYS A 51 5.992 -13.072 5.883 1.00 0.00 C ATOM 780 CG LYS A 51 6.389 -14.432 6.500 1.00 0.00 C ATOM 781 CD LYS A 51 7.037 -14.144 7.850 1.00 0.00 C ATOM 782 CE LYS A 51 8.385 -13.437 7.619 1.00 0.00 C ATOM 783 NZ LYS A 51 8.947 -13.118 8.965 1.00 0.00 N ATOM 0 H LYS A 51 4.485 -13.914 3.871 1.00 0.00 H new ATOM 0 HA LYS A 51 6.146 -12.088 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.509 -12.264 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.923 -12.902 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.513 -15.069 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.081 -14.963 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.382 -13.517 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.188 -15.072 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.066 -14.078 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.248 -12.528 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.862 -12.637 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.289 -12.496 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.081 -13.998 9.503 1.00 0.00 H new ATOM 797 N SER A 52 8.161 -13.095 2.835 1.00 0.00 N ATOM 798 CA SER A 52 9.574 -13.192 2.309 1.00 0.00 C ATOM 799 C SER A 52 10.228 -11.789 2.307 1.00 0.00 C ATOM 800 O SER A 52 9.568 -10.804 2.579 1.00 0.00 O ATOM 801 CB SER A 52 9.534 -13.758 0.860 1.00 0.00 C ATOM 802 OG SER A 52 8.567 -14.811 0.882 1.00 0.00 O ATOM 0 H SER A 52 7.456 -12.961 2.110 1.00 0.00 H new ATOM 0 HA SER A 52 10.161 -13.854 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.254 -12.984 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.513 -14.131 0.558 1.00 0.00 H new ATOM 0 HG SER A 52 8.283 -14.975 1.806 1.00 0.00 H new ATOM 808 N ALA A 53 11.493 -11.703 1.998 1.00 0.00 N ATOM 809 CA ALA A 53 12.217 -10.371 1.973 1.00 0.00 C ATOM 810 C ALA A 53 12.608 -10.082 0.504 1.00 0.00 C ATOM 811 O ALA A 53 12.415 -9.027 -0.067 1.00 0.00 O ATOM 812 CB ALA A 53 13.436 -10.529 2.918 1.00 0.00 C ATOM 0 H ALA A 53 12.076 -12.504 1.756 1.00 0.00 H new ATOM 0 HA ALA A 53 11.620 -9.527 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.001 -9.597 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.089 -10.769 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.077 -11.332 2.554 1.00 0.00 H new ATOM 818 N ASP A 54 13.185 -11.094 -0.039 1.00 0.00 N ATOM 819 CA ASP A 54 13.679 -11.197 -1.435 1.00 0.00 C ATOM 820 C ASP A 54 12.670 -10.544 -2.447 1.00 0.00 C ATOM 821 O ASP A 54 12.889 -9.454 -2.954 1.00 0.00 O ATOM 822 CB ASP A 54 13.914 -12.745 -1.532 1.00 0.00 C ATOM 823 CG ASP A 54 12.745 -13.502 -0.908 1.00 0.00 C ATOM 824 OD1 ASP A 54 12.816 -13.694 0.292 1.00 0.00 O ATOM 825 OD2 ASP A 54 11.850 -13.812 -1.658 1.00 0.00 O ATOM 0 H ASP A 54 13.353 -11.951 0.488 1.00 0.00 H new ATOM 0 HA ASP A 54 14.584 -10.647 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.028 -13.037 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.841 -13.011 -1.023 1.00 0.00 H new ATOM 830 N LEU A 55 11.582 -11.220 -2.687 1.00 0.00 N ATOM 831 CA LEU A 55 10.529 -10.721 -3.630 1.00 0.00 C ATOM 832 C LEU A 55 9.792 -9.495 -3.023 1.00 0.00 C ATOM 833 O LEU A 55 9.099 -8.768 -3.706 1.00 0.00 O ATOM 834 CB LEU A 55 9.579 -11.930 -3.919 1.00 0.00 C ATOM 835 CG LEU A 55 8.959 -11.925 -5.365 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.152 -10.658 -5.665 1.00 0.00 C ATOM 837 CD2 LEU A 55 10.072 -11.977 -6.422 1.00 0.00 C ATOM 0 H LEU A 55 11.369 -12.121 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 55 10.955 -10.365 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.134 -12.857 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.770 -11.926 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 55 8.306 -12.797 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.750 -10.714 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.331 -10.572 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.800 -9.785 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.629 -11.973 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.721 -11.108 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.658 -12.887 -6.289 1.00 0.00 H new ATOM 849 N ALA A 56 9.953 -9.259 -1.747 1.00 0.00 N ATOM 850 CA ALA A 56 9.263 -8.076 -1.122 1.00 0.00 C ATOM 851 C ALA A 56 10.017 -6.857 -1.722 1.00 0.00 C ATOM 852 O ALA A 56 9.460 -5.969 -2.337 1.00 0.00 O ATOM 853 CB ALA A 56 9.420 -8.201 0.415 1.00 0.00 C ATOM 0 H ALA A 56 10.522 -9.821 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 56 8.194 -7.992 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.930 -7.357 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.962 -9.130 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.479 -8.203 0.674 1.00 0.00 H new ATOM 859 N LYS A 57 11.307 -6.851 -1.542 1.00 0.00 N ATOM 860 CA LYS A 57 12.139 -5.729 -2.088 1.00 0.00 C ATOM 861 C LYS A 57 12.055 -5.757 -3.626 1.00 0.00 C ATOM 862 O LYS A 57 11.813 -4.744 -4.244 1.00 0.00 O ATOM 863 CB LYS A 57 13.592 -5.918 -1.620 1.00 0.00 C ATOM 864 CG LYS A 57 13.663 -5.840 -0.078 1.00 0.00 C ATOM 865 CD LYS A 57 15.146 -5.973 0.374 1.00 0.00 C ATOM 866 CE LYS A 57 15.724 -7.319 -0.057 1.00 0.00 C ATOM 867 NZ LYS A 57 17.125 -7.371 0.479 1.00 0.00 N ATOM 0 H LYS A 57 11.827 -7.572 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 57 11.776 -4.766 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.971 -6.881 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.228 -5.151 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.248 -4.894 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.062 -6.634 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.736 -5.164 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.211 -5.874 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.127 -8.142 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.720 -7.413 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.566 -8.274 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.678 -6.585 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.103 -7.290 1.516 1.00 0.00 H new ATOM 881 N SER A 58 12.266 -6.918 -4.197 1.00 0.00 N ATOM 882 CA SER A 58 12.205 -7.094 -5.705 1.00 0.00 C ATOM 883 C SER A 58 11.003 -6.374 -6.339 1.00 0.00 C ATOM 884 O SER A 58 11.017 -6.058 -7.510 1.00 0.00 O ATOM 885 CB SER A 58 12.093 -8.570 -6.056 1.00 0.00 C ATOM 886 OG SER A 58 12.226 -8.611 -7.474 1.00 0.00 O ATOM 0 H SER A 58 12.482 -7.772 -3.683 1.00 0.00 H new ATOM 0 HA SER A 58 13.123 -6.659 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.873 -9.154 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.137 -8.983 -5.735 1.00 0.00 H new ATOM 0 HG SER A 58 12.165 -9.540 -7.782 1.00 0.00 H new ATOM 892 N LEU A 59 10.003 -6.168 -5.526 1.00 0.00 N ATOM 893 CA LEU A 59 8.756 -5.476 -5.962 1.00 0.00 C ATOM 894 C LEU A 59 8.830 -4.014 -5.417 1.00 0.00 C ATOM 895 O LEU A 59 8.547 -3.050 -6.099 1.00 0.00 O ATOM 896 CB LEU A 59 7.564 -6.289 -5.379 1.00 0.00 C ATOM 897 CG LEU A 59 6.390 -6.350 -6.376 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.003 -4.947 -6.849 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.826 -7.180 -7.594 1.00 0.00 C ATOM 0 H LEU A 59 9.999 -6.460 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 59 8.631 -5.422 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.893 -7.300 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.230 -5.832 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 59 5.530 -6.802 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.173 -5.016 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.704 -4.344 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.857 -4.481 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.006 -7.233 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.689 -6.709 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.092 -8.187 -7.272 1.00 0.00 H new ATOM 911 N SER A 60 9.205 -3.861 -4.174 1.00 0.00 N ATOM 912 CA SER A 60 9.333 -2.500 -3.531 1.00 0.00 C ATOM 913 C SER A 60 10.093 -1.471 -4.439 1.00 0.00 C ATOM 914 O SER A 60 11.109 -1.796 -5.015 1.00 0.00 O ATOM 915 CB SER A 60 10.078 -2.725 -2.190 1.00 0.00 C ATOM 916 OG SER A 60 11.463 -2.692 -2.506 1.00 0.00 O ATOM 0 H SER A 60 9.436 -4.638 -3.554 1.00 0.00 H new ATOM 0 HA SER A 60 8.347 -2.063 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.823 -1.950 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.801 -3.681 -1.745 1.00 0.00 H new ATOM 0 HG SER A 60 11.646 -3.315 -3.240 1.00 0.00 H new ATOM 922 N HIS A 61 9.613 -0.260 -4.544 1.00 0.00 N ATOM 923 CA HIS A 61 10.282 0.788 -5.396 1.00 0.00 C ATOM 924 C HIS A 61 10.899 1.957 -4.558 1.00 0.00 C ATOM 925 O HIS A 61 10.240 2.589 -3.756 1.00 0.00 O ATOM 926 CB HIS A 61 9.194 1.300 -6.382 1.00 0.00 C ATOM 927 CG HIS A 61 9.114 0.450 -7.652 1.00 0.00 C ATOM 928 ND1 HIS A 61 8.955 -0.828 -7.732 1.00 0.00 N ATOM 929 CD2 HIS A 61 9.189 0.857 -8.969 1.00 0.00 C ATOM 930 CE1 HIS A 61 8.932 -1.188 -8.980 1.00 0.00 C ATOM 931 NE2 HIS A 61 9.074 -0.170 -9.784 1.00 0.00 N ATOM 0 H HIS A 61 8.769 0.060 -4.069 1.00 0.00 H new ATOM 0 HA HIS A 61 11.132 0.356 -5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.225 1.296 -5.884 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.410 2.334 -6.652 1.00 0.00 H new ATOM 0 HD1 HIS A 61 8.862 -1.459 -6.936 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.324 1.880 -9.288 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.810 -2.208 -9.313 1.00 0.00 H new ATOM 939 N LYS A 62 12.163 2.234 -4.740 1.00 0.00 N ATOM 940 CA LYS A 62 12.838 3.350 -3.972 1.00 0.00 C ATOM 941 C LYS A 62 13.419 4.446 -4.910 1.00 0.00 C ATOM 942 O LYS A 62 13.836 4.134 -6.003 1.00 0.00 O ATOM 943 CB LYS A 62 13.995 2.735 -3.110 1.00 0.00 C ATOM 944 CG LYS A 62 13.535 1.630 -2.108 1.00 0.00 C ATOM 945 CD LYS A 62 13.010 2.209 -0.749 1.00 0.00 C ATOM 946 CE LYS A 62 11.790 3.080 -0.954 1.00 0.00 C ATOM 947 NZ LYS A 62 11.042 3.159 0.320 1.00 0.00 N ATOM 0 H LYS A 62 12.771 1.737 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 62 12.089 3.828 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.745 2.313 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.481 3.535 -2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.748 1.034 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.370 0.957 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.764 1.390 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.798 2.791 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.088 4.077 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.157 2.665 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.082 3.516 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.984 2.213 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.533 3.804 0.971 1.00 0.00 H new ATOM 961 N GLN A 63 13.401 5.654 -4.401 1.00 0.00 N ATOM 962 CA GLN A 63 13.888 6.951 -5.019 1.00 0.00 C ATOM 963 C GLN A 63 12.817 8.086 -4.946 1.00 0.00 C ATOM 964 O GLN A 63 12.325 8.603 -5.928 1.00 0.00 O ATOM 965 CB GLN A 63 14.311 6.684 -6.505 1.00 0.00 C ATOM 966 CG GLN A 63 14.743 8.009 -7.248 1.00 0.00 C ATOM 967 CD GLN A 63 15.532 8.945 -6.349 1.00 0.00 C ATOM 968 OE1 GLN A 63 16.664 8.735 -5.996 1.00 0.00 O ATOM 969 NE2 GLN A 63 14.974 10.021 -5.925 1.00 0.00 N ATOM 0 H GLN A 63 13.022 5.813 -3.468 1.00 0.00 H new ATOM 0 HA GLN A 63 14.746 7.299 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.137 5.973 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.481 6.223 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.345 7.754 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.854 8.524 -7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.016 10.240 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.489 10.656 -5.315 1.00 0.00 H new ATOM 978 N LEU A 64 12.492 8.435 -3.726 1.00 0.00 N ATOM 979 CA LEU A 64 11.481 9.515 -3.405 1.00 0.00 C ATOM 980 C LEU A 64 10.692 10.148 -4.594 1.00 0.00 C ATOM 981 O LEU A 64 11.032 11.195 -5.108 1.00 0.00 O ATOM 982 CB LEU A 64 12.266 10.600 -2.614 1.00 0.00 C ATOM 983 CG LEU A 64 12.514 10.162 -1.159 1.00 0.00 C ATOM 984 CD1 LEU A 64 13.547 11.122 -0.571 1.00 0.00 C ATOM 985 CD2 LEU A 64 11.236 10.398 -0.348 1.00 0.00 C ATOM 0 H LEU A 64 12.900 8.001 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 64 10.675 9.044 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.220 10.793 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.707 11.536 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 64 12.826 9.118 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.753 10.846 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.468 11.066 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.158 12.140 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.399 10.091 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.978 11.457 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.421 9.814 -0.775 1.00 0.00 H new ATOM 997 N LEU A 65 9.647 9.475 -4.992 1.00 0.00 N ATOM 998 CA LEU A 65 8.777 9.943 -6.126 1.00 0.00 C ATOM 999 C LEU A 65 8.247 11.410 -6.014 1.00 0.00 C ATOM 1000 O LEU A 65 7.114 11.680 -5.670 1.00 0.00 O ATOM 1001 CB LEU A 65 7.618 8.908 -6.231 1.00 0.00 C ATOM 1002 CG LEU A 65 8.045 7.658 -7.030 1.00 0.00 C ATOM 1003 CD1 LEU A 65 9.119 6.860 -6.288 1.00 0.00 C ATOM 1004 CD2 LEU A 65 6.824 6.754 -7.181 1.00 0.00 C ATOM 0 H LEU A 65 9.347 8.596 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 65 9.380 9.988 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.302 8.611 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.757 9.372 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 65 8.443 7.981 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.397 5.987 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.997 7.487 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.730 6.536 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.099 5.862 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.462 6.464 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.038 7.290 -7.713 1.00 0.00 H new ATOM 1016 N MET A 66 9.118 12.325 -6.324 1.00 0.00 N ATOM 1017 CA MET A 66 8.847 13.810 -6.295 1.00 0.00 C ATOM 1018 C MET A 66 8.404 14.333 -7.687 1.00 0.00 C ATOM 1019 O MET A 66 8.713 15.406 -8.163 1.00 0.00 O ATOM 1020 CB MET A 66 10.152 14.368 -5.798 1.00 0.00 C ATOM 1021 CG MET A 66 10.115 15.888 -5.550 1.00 0.00 C ATOM 1022 SD MET A 66 8.760 16.531 -4.538 1.00 0.00 S ATOM 1023 CE MET A 66 8.134 17.731 -5.741 1.00 0.00 C ATOM 0 H MET A 66 10.069 12.099 -6.616 1.00 0.00 H new ATOM 0 HA MET A 66 8.016 14.110 -5.656 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.425 13.863 -4.871 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.934 14.145 -6.524 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.054 16.176 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.079 16.387 -6.518 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.347 18.329 -5.282 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.946 18.384 -6.060 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.732 17.203 -6.606 1.00 0.00 H new ATOM 1033 N SER A 67 7.637 13.480 -8.285 1.00 0.00 N ATOM 1034 CA SER A 67 7.050 13.712 -9.668 1.00 0.00 C ATOM 1035 C SER A 67 5.488 13.861 -9.750 1.00 0.00 C ATOM 1036 O SER A 67 4.823 13.136 -10.471 1.00 0.00 O ATOM 1037 CB SER A 67 7.531 12.536 -10.533 1.00 0.00 C ATOM 1038 OG SER A 67 7.071 12.850 -11.843 1.00 0.00 O ATOM 0 H SER A 67 7.369 12.587 -7.872 1.00 0.00 H new ATOM 0 HA SER A 67 7.399 14.684 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.616 12.440 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.118 11.590 -10.183 1.00 0.00 H new ATOM 0 HG SER A 67 6.093 12.918 -11.839 1.00 0.00 H new ATOM 1044 N PRO A 68 4.944 14.810 -9.018 1.00 0.00 N ATOM 1045 CA PRO A 68 3.461 14.939 -8.753 1.00 0.00 C ATOM 1046 C PRO A 68 2.504 14.910 -9.997 1.00 0.00 C ATOM 1047 O PRO A 68 1.949 15.915 -10.408 1.00 0.00 O ATOM 1048 CB PRO A 68 3.407 16.247 -7.914 1.00 0.00 C ATOM 1049 CG PRO A 68 4.665 17.015 -8.377 1.00 0.00 C ATOM 1050 CD PRO A 68 5.717 15.914 -8.376 1.00 0.00 C ATOM 0 HA PRO A 68 3.061 14.062 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.496 16.813 -8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.432 16.041 -6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.535 17.456 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.922 17.827 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.605 16.187 -8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.050 15.658 -7.370 1.00 0.00 H new ATOM 1058 N GLY A 69 2.300 13.743 -10.545 1.00 0.00 N ATOM 1059 CA GLY A 69 1.421 13.526 -11.756 1.00 0.00 C ATOM 1060 C GLY A 69 1.888 12.422 -12.718 1.00 0.00 C ATOM 1061 O GLY A 69 1.061 11.824 -13.372 1.00 0.00 O ATOM 0 H GLY A 69 2.723 12.884 -10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.414 13.286 -11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.355 14.463 -12.309 1.00 0.00 H new ATOM 1065 N GLN A 70 3.164 12.151 -12.800 1.00 0.00 N ATOM 1066 CA GLN A 70 3.615 11.064 -13.753 1.00 0.00 C ATOM 1067 C GLN A 70 3.371 9.657 -13.150 1.00 0.00 C ATOM 1068 O GLN A 70 3.310 9.483 -11.946 1.00 0.00 O ATOM 1069 CB GLN A 70 5.137 11.284 -14.063 1.00 0.00 C ATOM 1070 CG GLN A 70 5.771 10.068 -14.873 1.00 0.00 C ATOM 1071 CD GLN A 70 5.023 9.771 -16.163 1.00 0.00 C ATOM 1072 OE1 GLN A 70 4.649 8.572 -16.429 1.00 0.00 O flip ATOM 1073 NE2 GLN A 70 4.752 10.625 -16.969 1.00 0.00 N flip ATOM 0 H GLN A 70 3.903 12.613 -12.270 1.00 0.00 H new ATOM 0 HA GLN A 70 3.036 11.120 -14.675 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.260 12.203 -14.636 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.680 11.417 -13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.812 10.294 -15.105 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.771 9.178 -14.244 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.029 11.592 -16.800 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.246 10.381 -17.820 1.00 0.00 H new ATOM 1082 N SER A 71 3.241 8.677 -13.990 1.00 0.00 N ATOM 1083 CA SER A 71 2.999 7.264 -13.533 1.00 0.00 C ATOM 1084 C SER A 71 4.197 6.306 -13.674 1.00 0.00 C ATOM 1085 O SER A 71 5.099 6.533 -14.457 1.00 0.00 O ATOM 1086 CB SER A 71 1.802 6.764 -14.339 1.00 0.00 C ATOM 1087 OG SER A 71 2.286 6.870 -15.679 1.00 0.00 O ATOM 0 H SER A 71 3.292 8.787 -15.003 1.00 0.00 H new ATOM 0 HA SER A 71 2.819 7.276 -12.458 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.535 5.739 -14.081 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.915 7.376 -14.175 1.00 0.00 H new ATOM 0 HG SER A 71 2.563 5.986 -15.998 1.00 0.00 H new ATOM 1093 N THR A 72 4.171 5.278 -12.876 1.00 0.00 N ATOM 1094 CA THR A 72 5.257 4.224 -12.873 1.00 0.00 C ATOM 1095 C THR A 72 4.809 2.796 -13.267 1.00 0.00 C ATOM 1096 O THR A 72 4.547 1.957 -12.426 1.00 0.00 O ATOM 1097 CB THR A 72 5.912 4.187 -11.457 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.775 3.066 -11.475 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.006 3.835 -10.291 1.00 0.00 C ATOM 0 H THR A 72 3.426 5.108 -12.201 1.00 0.00 H new ATOM 0 HA THR A 72 5.959 4.523 -13.651 1.00 0.00 H new ATOM 0 HB THR A 72 6.318 5.187 -11.305 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.224 2.985 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.583 3.844 -9.366 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.200 4.566 -10.223 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.583 2.842 -10.445 1.00 0.00 H new ATOM 1107 N SER A 73 4.724 2.517 -14.535 1.00 0.00 N ATOM 1108 CA SER A 73 4.293 1.143 -15.043 1.00 0.00 C ATOM 1109 C SER A 73 4.907 -0.002 -14.198 1.00 0.00 C ATOM 1110 O SER A 73 6.015 -0.458 -14.398 1.00 0.00 O ATOM 1111 CB SER A 73 4.705 1.036 -16.521 1.00 0.00 C ATOM 1112 OG SER A 73 4.094 2.153 -17.167 1.00 0.00 O ATOM 0 H SER A 73 4.936 3.186 -15.275 1.00 0.00 H new ATOM 0 HA SER A 73 3.212 1.039 -14.948 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.789 1.064 -16.630 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.365 0.096 -16.956 1.00 0.00 H new ATOM 0 HG SER A 73 3.547 2.646 -16.520 1.00 0.00 H new ATOM 1118 N THR A 74 4.113 -0.461 -13.268 1.00 0.00 N ATOM 1119 CA THR A 74 4.497 -1.555 -12.301 1.00 0.00 C ATOM 1120 C THR A 74 4.017 -2.935 -12.725 1.00 0.00 C ATOM 1121 O THR A 74 2.929 -3.370 -12.399 1.00 0.00 O ATOM 1122 CB THR A 74 3.900 -1.269 -10.902 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.369 0.003 -10.494 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.578 -2.090 -9.830 1.00 0.00 C ATOM 0 H THR A 74 3.166 -0.110 -13.126 1.00 0.00 H new ATOM 0 HA THR A 74 5.587 -1.558 -12.284 1.00 0.00 H new ATOM 0 HB THR A 74 2.825 -1.426 -10.988 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.254 0.644 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.133 -1.863 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.450 -3.150 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.641 -1.850 -9.806 1.00 0.00 H new ATOM 1132 N THR A 75 4.853 -3.611 -13.454 1.00 0.00 N ATOM 1133 CA THR A 75 4.461 -4.989 -13.922 1.00 0.00 C ATOM 1134 C THR A 75 5.201 -6.110 -13.212 1.00 0.00 C ATOM 1135 O THR A 75 6.292 -5.961 -12.699 1.00 0.00 O ATOM 1136 CB THR A 75 4.723 -5.111 -15.451 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.932 -6.198 -15.914 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.107 -5.604 -15.838 1.00 0.00 C ATOM 0 H THR A 75 5.775 -3.289 -13.748 1.00 0.00 H new ATOM 0 HA THR A 75 3.403 -5.102 -13.685 1.00 0.00 H new ATOM 0 HB THR A 75 4.539 -4.113 -15.848 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.299 -6.463 -15.214 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.185 -5.653 -16.924 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.859 -4.917 -15.450 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.271 -6.596 -15.417 1.00 0.00 H new ATOM 1146 N PHE A 76 4.548 -7.224 -13.222 1.00 0.00 N ATOM 1147 CA PHE A 76 5.069 -8.470 -12.599 1.00 0.00 C ATOM 1148 C PHE A 76 5.616 -9.320 -13.778 1.00 0.00 C ATOM 1149 O PHE A 76 5.349 -9.000 -14.924 1.00 0.00 O ATOM 1150 CB PHE A 76 3.875 -9.149 -11.875 1.00 0.00 C ATOM 1151 CG PHE A 76 3.318 -8.153 -10.851 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.969 -7.942 -9.659 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.177 -7.432 -11.117 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.489 -7.019 -8.750 1.00 0.00 C ATOM 1155 CE2 PHE A 76 1.692 -6.510 -10.219 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.351 -6.302 -9.033 1.00 0.00 C ATOM 0 H PHE A 76 3.631 -7.332 -13.656 1.00 0.00 H new ATOM 0 HA PHE A 76 5.860 -8.318 -11.865 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.104 -9.431 -12.592 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.199 -10.064 -11.380 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.864 -8.503 -9.431 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.653 -7.593 -12.047 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.008 -6.861 -7.816 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.796 -5.952 -10.446 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.977 -5.578 -8.325 1.00 0.00 H new ATOM 1166 N PRO A 77 6.359 -10.351 -13.480 1.00 0.00 N ATOM 1167 CA PRO A 77 6.477 -11.530 -14.380 1.00 0.00 C ATOM 1168 C PRO A 77 5.282 -12.519 -14.188 1.00 0.00 C ATOM 1169 O PRO A 77 4.200 -12.127 -13.788 1.00 0.00 O ATOM 1170 CB PRO A 77 7.885 -12.092 -14.011 1.00 0.00 C ATOM 1171 CG PRO A 77 8.451 -11.098 -12.930 1.00 0.00 C ATOM 1172 CD PRO A 77 7.211 -10.490 -12.274 1.00 0.00 C ATOM 0 HA PRO A 77 6.412 -11.308 -15.445 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.814 -13.106 -13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.534 -12.135 -14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.070 -11.618 -12.200 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.074 -10.329 -13.387 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.771 -11.142 -11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.415 -9.535 -11.790 1.00 0.00 H new ATOM 1180 N ALA A 78 5.500 -13.772 -14.475 1.00 0.00 N ATOM 1181 CA ALA A 78 4.420 -14.810 -14.332 1.00 0.00 C ATOM 1182 C ALA A 78 4.638 -15.793 -13.137 1.00 0.00 C ATOM 1183 O ALA A 78 4.472 -16.994 -13.236 1.00 0.00 O ATOM 1184 CB ALA A 78 4.377 -15.524 -15.706 1.00 0.00 C ATOM 0 H ALA A 78 6.393 -14.134 -14.809 1.00 0.00 H new ATOM 0 HA ALA A 78 3.465 -14.349 -14.082 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.612 -16.300 -15.689 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.141 -14.799 -16.485 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.347 -15.975 -15.912 1.00 0.00 H new ATOM 1190 N ASP A 79 5.018 -15.193 -12.050 1.00 0.00 N ATOM 1191 CA ASP A 79 5.292 -15.882 -10.749 1.00 0.00 C ATOM 1192 C ASP A 79 4.192 -15.502 -9.700 1.00 0.00 C ATOM 1193 O ASP A 79 3.532 -16.354 -9.131 1.00 0.00 O ATOM 1194 CB ASP A 79 6.732 -15.417 -10.378 1.00 0.00 C ATOM 1195 CG ASP A 79 6.782 -13.914 -10.350 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.983 -13.403 -11.426 1.00 0.00 O ATOM 1197 OD2 ASP A 79 6.600 -13.350 -9.293 1.00 0.00 O ATOM 0 H ASP A 79 5.160 -14.184 -12.004 1.00 0.00 H new ATOM 0 HA ASP A 79 5.249 -16.970 -10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.016 -15.819 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.448 -15.802 -11.104 1.00 0.00 H new ATOM 1202 N ALA A 80 4.066 -14.218 -9.505 1.00 0.00 N ATOM 1203 CA ALA A 80 3.097 -13.560 -8.566 1.00 0.00 C ATOM 1204 C ALA A 80 2.323 -14.485 -7.557 1.00 0.00 C ATOM 1205 O ALA A 80 1.115 -14.645 -7.623 1.00 0.00 O ATOM 1206 CB ALA A 80 2.189 -12.775 -9.521 1.00 0.00 C ATOM 0 H ALA A 80 4.645 -13.541 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 80 3.623 -12.942 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.429 -12.244 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.786 -12.057 -10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.705 -13.465 -10.212 1.00 0.00 H new ATOM 1212 N PRO A 81 3.066 -15.071 -6.640 1.00 0.00 N ATOM 1213 CA PRO A 81 2.507 -15.867 -5.498 1.00 0.00 C ATOM 1214 C PRO A 81 1.206 -15.315 -4.843 1.00 0.00 C ATOM 1215 O PRO A 81 1.262 -14.392 -4.054 1.00 0.00 O ATOM 1216 CB PRO A 81 3.734 -15.970 -4.534 1.00 0.00 C ATOM 1217 CG PRO A 81 4.716 -14.880 -5.068 1.00 0.00 C ATOM 1218 CD PRO A 81 4.558 -15.011 -6.579 1.00 0.00 C ATOM 0 HA PRO A 81 2.126 -16.835 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.448 -15.779 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.183 -16.963 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.448 -13.884 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.742 -15.065 -4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.970 -14.161 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.034 -15.906 -6.978 1.00 0.00 H new ATOM 1226 N ALA A 82 0.080 -15.870 -5.203 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.247 -15.430 -4.638 1.00 0.00 C ATOM 1228 C ALA A 82 -1.258 -14.972 -3.128 1.00 0.00 C ATOM 1229 O ALA A 82 -0.486 -15.409 -2.297 1.00 0.00 O ATOM 1230 CB ALA A 82 -2.221 -16.615 -4.885 1.00 0.00 C ATOM 0 H ALA A 82 0.014 -16.629 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.543 -14.512 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.208 -16.362 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.291 -16.812 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.849 -17.504 -4.376 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.171 -14.098 -2.804 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.312 -13.550 -1.398 1.00 0.00 C ATOM 1238 C GLY A 83 -2.318 -12.014 -1.248 1.00 0.00 C ATOM 1239 O GLY A 83 -2.491 -11.278 -2.198 1.00 0.00 O ATOM 0 H GLY A 83 -2.851 -13.722 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.239 -13.937 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.496 -13.947 -0.795 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.109 -11.626 -0.025 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.069 -10.189 0.437 1.00 0.00 C ATOM 1245 C GLU A 84 -0.685 -9.474 0.429 1.00 0.00 C ATOM 1246 O GLU A 84 0.135 -9.764 1.274 1.00 0.00 O ATOM 1247 CB GLU A 84 -2.657 -10.201 1.877 1.00 0.00 C ATOM 1248 CG GLU A 84 -4.151 -10.671 1.866 1.00 0.00 C ATOM 1249 CD GLU A 84 -5.029 -9.585 1.333 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.380 -8.713 2.098 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -5.340 -9.596 0.162 1.00 0.00 O ATOM 0 H GLU A 84 -1.952 -12.288 0.735 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.637 -9.602 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.067 -10.865 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.588 -9.203 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.254 -11.566 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.463 -10.939 2.875 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.420 -8.583 -0.495 1.00 0.00 N ATOM 1259 CA TYR A 85 0.918 -7.866 -0.516 1.00 0.00 C ATOM 1260 C TYR A 85 0.720 -6.359 -0.177 1.00 0.00 C ATOM 1261 O TYR A 85 -0.036 -5.696 -0.863 1.00 0.00 O ATOM 1262 CB TYR A 85 1.635 -7.821 -1.915 1.00 0.00 C ATOM 1263 CG TYR A 85 1.714 -9.066 -2.798 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.112 -10.275 -2.529 1.00 0.00 C ATOM 1265 CD2 TYR A 85 2.447 -8.933 -3.961 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.245 -11.328 -3.419 1.00 0.00 C ATOM 1267 CE2 TYR A 85 2.573 -9.987 -4.840 1.00 0.00 C ATOM 1268 CZ TYR A 85 1.976 -11.180 -4.573 1.00 0.00 C ATOM 1269 OH TYR A 85 2.120 -12.202 -5.476 1.00 0.00 O ATOM 0 H TYR A 85 -1.063 -8.314 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 85 1.516 -8.434 0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.144 -7.044 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.658 -7.489 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.536 -10.402 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.927 -7.992 -4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.770 -12.274 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.149 -9.865 -5.746 1.00 0.00 H new ATOM 0 HH TYR A 85 1.945 -13.058 -5.032 1.00 0.00 H new ATOM 1279 N THR A 86 1.367 -5.839 0.824 1.00 0.00 N ATOM 1280 CA THR A 86 1.169 -4.362 1.135 1.00 0.00 C ATOM 1281 C THR A 86 2.284 -3.420 0.654 1.00 0.00 C ATOM 1282 O THR A 86 3.464 -3.696 0.775 1.00 0.00 O ATOM 1283 CB THR A 86 1.048 -4.127 2.648 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.191 -4.722 2.987 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.722 -2.680 2.986 1.00 0.00 C ATOM 0 H THR A 86 2.011 -6.339 1.436 1.00 0.00 H new ATOM 0 HA THR A 86 0.258 -4.122 0.586 1.00 0.00 H new ATOM 0 HB THR A 86 1.967 -4.470 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.351 -4.619 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.647 -2.567 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.512 -2.031 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.227 -2.404 2.526 1.00 0.00 H new ATOM 1293 N PHE A 87 1.864 -2.306 0.116 1.00 0.00 N ATOM 1294 CA PHE A 87 2.792 -1.266 -0.398 1.00 0.00 C ATOM 1295 C PHE A 87 2.715 0.061 0.360 1.00 0.00 C ATOM 1296 O PHE A 87 1.693 0.710 0.369 1.00 0.00 O ATOM 1297 CB PHE A 87 2.549 -0.960 -1.882 1.00 0.00 C ATOM 1298 CG PHE A 87 1.138 -1.055 -2.374 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.705 -2.252 -2.864 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.306 0.028 -2.361 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.562 -2.376 -3.350 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.967 -0.086 -2.847 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.415 -1.291 -3.348 1.00 0.00 C ATOM 0 H PHE A 87 0.877 -2.070 0.010 1.00 0.00 H new ATOM 0 HA PHE A 87 3.780 -1.701 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.911 0.048 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.160 -1.642 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.368 -3.104 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.653 0.972 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.900 -3.326 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.625 0.771 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.420 -1.384 -3.733 1.00 0.00 H new ATOM 1313 N TYR A 88 3.787 0.437 0.990 1.00 0.00 N ATOM 1314 CA TYR A 88 3.794 1.715 1.749 1.00 0.00 C ATOM 1315 C TYR A 88 4.788 2.788 1.208 1.00 0.00 C ATOM 1316 O TYR A 88 5.932 2.495 0.935 1.00 0.00 O ATOM 1317 CB TYR A 88 4.088 1.349 3.227 1.00 0.00 C ATOM 1318 CG TYR A 88 5.498 0.804 3.351 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.796 -0.511 3.078 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.497 1.659 3.729 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.096 -0.961 3.182 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.789 1.214 3.834 1.00 0.00 C ATOM 1323 CZ TYR A 88 8.104 -0.095 3.564 1.00 0.00 C ATOM 1324 OH TYR A 88 9.415 -0.497 3.667 1.00 0.00 O ATOM 0 H TYR A 88 4.662 -0.086 1.013 1.00 0.00 H new ATOM 0 HA TYR A 88 2.823 2.197 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.972 2.229 3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.370 0.608 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.012 -1.192 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.266 2.691 3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.327 -1.993 2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.568 1.900 4.132 1.00 0.00 H new ATOM 0 HH TYR A 88 9.969 0.261 3.948 1.00 0.00 H new ATOM 1334 N CYS A 89 4.321 4.000 1.064 1.00 0.00 N ATOM 1335 CA CYS A 89 5.145 5.168 0.554 1.00 0.00 C ATOM 1336 C CYS A 89 6.450 5.419 1.300 1.00 0.00 C ATOM 1337 O CYS A 89 7.412 5.856 0.700 1.00 0.00 O ATOM 1338 CB CYS A 89 4.355 6.476 0.644 1.00 0.00 C ATOM 1339 SG CYS A 89 3.066 6.880 -0.554 1.00 0.00 S ATOM 0 H CYS A 89 3.358 4.251 1.287 1.00 0.00 H new ATOM 0 HA CYS A 89 5.380 4.879 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.891 6.499 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.081 7.288 0.615 1.00 0.00 H new ATOM 1344 N GLU A 90 6.353 5.163 2.574 1.00 0.00 N ATOM 1345 CA GLU A 90 7.451 5.307 3.596 1.00 0.00 C ATOM 1346 C GLU A 90 7.397 6.706 4.332 1.00 0.00 C ATOM 1347 O GLU A 90 7.351 6.672 5.545 1.00 0.00 O ATOM 1348 CB GLU A 90 8.797 4.980 2.813 1.00 0.00 C ATOM 1349 CG GLU A 90 9.984 4.634 3.757 1.00 0.00 C ATOM 1350 CD GLU A 90 11.004 3.865 2.954 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.877 2.654 2.916 1.00 0.00 O ATOM 1352 OE2 GLU A 90 11.856 4.509 2.372 1.00 0.00 O ATOM 0 H GLU A 90 5.482 4.830 2.987 1.00 0.00 H new ATOM 0 HA GLU A 90 7.352 4.615 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.623 4.143 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.069 5.837 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.426 5.544 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.638 4.041 4.604 1.00 0.00 H new ATOM 1359 N PRO A 91 7.382 7.869 3.695 1.00 0.00 N ATOM 1360 CA PRO A 91 7.037 9.176 4.363 1.00 0.00 C ATOM 1361 C PRO A 91 5.618 9.807 4.059 1.00 0.00 C ATOM 1362 O PRO A 91 5.529 10.925 3.595 1.00 0.00 O ATOM 1363 CB PRO A 91 8.208 9.993 3.893 1.00 0.00 C ATOM 1364 CG PRO A 91 8.220 9.633 2.368 1.00 0.00 C ATOM 1365 CD PRO A 91 7.745 8.151 2.283 1.00 0.00 C ATOM 0 HA PRO A 91 6.910 9.090 5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.064 11.060 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.136 9.712 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.557 10.290 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.218 9.749 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.896 8.031 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.532 7.489 1.923 1.00 0.00 H new ATOM 1373 N HIS A 92 4.527 9.128 4.309 1.00 0.00 N ATOM 1374 CA HIS A 92 3.145 9.697 4.027 1.00 0.00 C ATOM 1375 C HIS A 92 1.903 9.273 4.898 1.00 0.00 C ATOM 1376 O HIS A 92 1.976 8.474 5.804 1.00 0.00 O ATOM 1377 CB HIS A 92 2.876 9.408 2.514 1.00 0.00 C ATOM 1378 CG HIS A 92 3.296 10.463 1.497 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.280 10.177 0.198 1.00 0.00 N ATOM 1380 CD2 HIS A 92 3.713 11.765 1.703 1.00 0.00 C ATOM 1381 CE1 HIS A 92 3.685 11.301 -0.364 1.00 0.00 C ATOM 1382 NE2 HIS A 92 3.932 12.210 0.511 1.00 0.00 N ATOM 0 H HIS A 92 4.521 8.187 4.703 1.00 0.00 H new ATOM 0 HA HIS A 92 3.211 10.746 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.381 8.477 2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.807 9.234 2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.828 12.287 2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.795 11.440 -1.429 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.256 13.152 0.294 1.00 0.00 H new ATOM 1390 N ARG A 93 0.741 9.806 4.595 1.00 0.00 N ATOM 1391 CA ARG A 93 -0.540 9.494 5.369 1.00 0.00 C ATOM 1392 C ARG A 93 -0.272 9.612 6.906 1.00 0.00 C ATOM 1393 O ARG A 93 -0.735 8.827 7.717 1.00 0.00 O ATOM 1394 CB ARG A 93 -1.039 8.045 5.054 1.00 0.00 C ATOM 1395 CG ARG A 93 -2.533 7.955 5.512 1.00 0.00 C ATOM 1396 CD ARG A 93 -2.965 6.520 5.801 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.185 6.125 7.033 1.00 0.00 N ATOM 1398 CZ ARG A 93 -2.721 6.054 8.176 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -3.463 5.081 8.447 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -2.459 6.987 8.964 1.00 0.00 N ATOM 0 H ARG A 93 0.609 10.463 3.826 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.304 10.210 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.951 7.832 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.432 7.307 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.674 8.562 6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.174 8.376 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.039 6.457 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.740 5.862 4.962 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.193 5.908 6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.629 4.356 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.900 5.014 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.845 7.746 8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.860 6.990 9.902 1.00 0.00 H new ATOM 1414 N GLY A 94 0.494 10.616 7.243 1.00 0.00 N ATOM 1415 CA GLY A 94 0.875 10.891 8.683 1.00 0.00 C ATOM 1416 C GLY A 94 2.252 10.266 8.924 1.00 0.00 C ATOM 1417 O GLY A 94 3.146 10.843 9.499 1.00 0.00 O ATOM 0 H GLY A 94 0.886 11.278 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.903 11.964 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.137 10.465 9.363 1.00 0.00 H new ATOM 1421 N ALA A 95 2.315 9.061 8.439 1.00 0.00 N ATOM 1422 CA ALA A 95 3.517 8.174 8.505 1.00 0.00 C ATOM 1423 C ALA A 95 4.202 7.793 7.169 1.00 0.00 C ATOM 1424 O ALA A 95 5.047 8.465 6.628 1.00 0.00 O ATOM 1425 CB ALA A 95 2.983 6.987 9.299 1.00 0.00 C ATOM 0 H ALA A 95 1.525 8.623 7.965 1.00 0.00 H new ATOM 0 HA ALA A 95 4.363 8.686 8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.774 6.247 9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.646 7.326 10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 95 2.147 6.537 8.763 1.00 0.00 H new ATOM 1431 N GLY A 96 3.760 6.671 6.710 1.00 0.00 N ATOM 1432 CA GLY A 96 4.219 6.010 5.418 1.00 0.00 C ATOM 1433 C GLY A 96 3.203 5.600 4.322 1.00 0.00 C ATOM 1434 O GLY A 96 3.553 4.724 3.567 1.00 0.00 O ATOM 0 H GLY A 96 3.047 6.129 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.935 6.686 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.766 5.110 5.698 1.00 0.00 H new ATOM 1438 N MET A 97 2.038 6.205 4.221 1.00 0.00 N ATOM 1439 CA MET A 97 0.974 5.846 3.163 1.00 0.00 C ATOM 1440 C MET A 97 0.935 4.354 2.754 1.00 0.00 C ATOM 1441 O MET A 97 1.697 3.914 1.926 1.00 0.00 O ATOM 1442 CB MET A 97 1.211 6.677 1.885 1.00 0.00 C ATOM 1443 CG MET A 97 0.149 7.738 1.664 1.00 0.00 C ATOM 1444 SD MET A 97 0.417 8.752 0.190 1.00 0.00 S ATOM 1445 CE MET A 97 -0.892 8.001 -0.802 1.00 0.00 C ATOM 0 H MET A 97 1.752 6.962 4.842 1.00 0.00 H new ATOM 0 HA MET A 97 0.019 6.071 3.638 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.188 7.156 1.945 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.235 6.010 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.824 7.253 1.587 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.112 8.388 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.448 7.382 -1.582 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.523 7.383 -0.164 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.496 8.784 -1.260 1.00 0.00 H new ATOM 1455 N VAL A 98 0.023 3.653 3.341 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.162 2.186 3.098 1.00 0.00 C ATOM 1457 C VAL A 98 -1.327 1.678 2.182 1.00 0.00 C ATOM 1458 O VAL A 98 -2.488 1.906 2.478 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.242 1.613 4.551 1.00 0.00 C ATOM 1460 CG1 VAL A 98 1.043 2.000 5.329 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.411 2.276 5.346 1.00 0.00 C ATOM 0 H VAL A 98 -0.638 4.045 4.012 1.00 0.00 H new ATOM 0 HA VAL A 98 0.661 1.832 2.477 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.378 0.535 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.989 1.601 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.914 1.585 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.130 3.086 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.447 1.862 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.249 3.352 5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.355 2.077 4.838 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.994 1.018 1.096 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.031 0.458 0.136 1.00 0.00 C ATOM 1473 C GLY A 99 -1.778 -1.056 -0.054 1.00 0.00 C ATOM 1474 O GLY A 99 -0.755 -1.550 0.369 1.00 0.00 O ATOM 0 H GLY A 99 -0.029 0.835 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.035 0.626 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.972 0.973 -0.823 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.662 -1.797 -0.664 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.405 -3.280 -0.839 1.00 0.00 C ATOM 1480 C LYS A 100 -2.900 -4.002 -2.142 1.00 0.00 C ATOM 1481 O LYS A 100 -3.894 -3.667 -2.756 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.022 -3.901 0.431 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.846 -5.442 0.508 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.807 -5.971 1.605 1.00 0.00 C ATOM 1485 CE LYS A 100 -5.266 -5.957 1.138 1.00 0.00 C ATOM 1486 NZ LYS A 100 -5.424 -7.065 0.159 1.00 0.00 N ATOM 0 H LYS A 100 -3.544 -1.458 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.332 -3.421 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.564 -3.446 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.085 -3.661 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.073 -5.902 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.814 -5.698 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.523 -6.987 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.707 -5.360 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.942 -6.090 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.514 -5.000 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.974 -6.731 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.487 -7.381 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.922 -7.859 0.610 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.174 -5.011 -2.539 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.514 -5.824 -3.759 1.00 0.00 C ATOM 1502 C ILE A 101 -2.958 -7.226 -3.248 1.00 0.00 C ATOM 1503 O ILE A 101 -2.377 -7.807 -2.354 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.241 -5.979 -4.726 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.756 -5.835 -6.194 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.600 -7.395 -4.632 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.669 -6.213 -7.257 1.00 0.00 C ATOM 0 H ILE A 101 -1.330 -5.321 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.300 -5.334 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.503 -5.230 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.630 -6.472 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.080 -4.808 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.257 -7.452 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.272 -7.579 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.335 -8.147 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.083 -6.094 -8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.196 -5.559 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.363 -7.249 -7.112 1.00 0.00 H new ATOM 1519 N THR A 102 -3.994 -7.713 -3.831 1.00 0.00 N ATOM 1520 CA THR A 102 -4.603 -9.050 -3.522 1.00 0.00 C ATOM 1521 C THR A 102 -4.430 -9.903 -4.776 1.00 0.00 C ATOM 1522 O THR A 102 -5.169 -9.720 -5.724 1.00 0.00 O ATOM 1523 CB THR A 102 -6.110 -8.922 -3.238 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.230 -8.138 -2.066 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.704 -10.237 -2.769 1.00 0.00 C ATOM 0 H THR A 102 -4.491 -7.211 -4.567 1.00 0.00 H new ATOM 0 HA THR A 102 -4.123 -9.482 -2.644 1.00 0.00 H new ATOM 0 HB THR A 102 -6.588 -8.546 -4.143 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.041 -8.693 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.769 -10.108 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.563 -10.995 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.207 -10.554 -1.852 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.498 -10.806 -4.811 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.344 -11.636 -6.063 1.00 0.00 C ATOM 1535 C VAL A 103 -4.149 -12.931 -5.851 1.00 0.00 C ATOM 1536 O VAL A 103 -3.854 -13.681 -4.944 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.819 -11.896 -6.272 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.556 -12.394 -7.673 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.989 -10.645 -6.007 1.00 0.00 C ATOM 0 H VAL A 103 -2.844 -11.013 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.723 -11.143 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.519 -12.658 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.488 -12.570 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.100 -13.324 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.890 -11.647 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.066 -10.869 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.297 -9.853 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.142 -10.318 -4.979 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.137 -13.170 -6.666 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.976 -14.415 -6.507 1.00 0.00 C ATOM 1551 C ALA A 104 -6.036 -15.435 -7.684 1.00 0.00 C ATOM 1552 O ALA A 104 -5.564 -16.549 -7.558 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.393 -13.894 -6.133 1.00 0.00 C ATOM 0 H ALA A 104 -5.409 -12.563 -7.440 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.495 -15.033 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.068 -14.739 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.338 -13.323 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.768 -13.254 -6.932 1.00 0.00 H new ATOM 1559 N GLY A 105 -6.617 -15.001 -8.759 1.00 0.00 N ATOM 1560 CA GLY A 105 -6.800 -15.799 -10.019 1.00 0.00 C ATOM 1561 C GLY A 105 -6.479 -14.935 -11.233 1.00 0.00 C ATOM 1562 O GLY A 105 -5.866 -15.473 -12.132 1.00 0.00 O ATOM 1563 OXT GLY A 105 -6.875 -13.783 -11.191 1.00 0.00 O ATOM 0 H GLY A 105 -7.002 -14.059 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.150 -16.674 -10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.825 -16.164 -10.083 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 2.420 8.885 -0.702 1.00 0.00 CU