USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.93 K(o=2,f=-3.8) USER MOD Set 2.1: A 105 ASN : amide:sc= 0.785 K(o=2.9,f=1.4) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.854 K(o=2.9,f=-8.4!) USER MOD Set 2.3: A 131 GLN : amide:sc= 1.29 K(o=2.9,f=-8.4!) USER MOD Set 3.1: A 92 SER OG : rot -80:sc= 1.01 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 156:sc= 2.45 (180deg=1.24) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0769) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -126:sc= -1.52 (180deg=-1.73) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 1.2 (180deg=0.943) USER MOD Single : A 36 MET CE :methyl -127:sc= -0.391 (180deg=-1.89!) USER MOD Single : A 38 ASN : amide:sc= -1.04 K(o=-1,f=-0.017) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00942 USER MOD Single : A 42 ASN : amide:sc= -3.76! K(o=-3.8!,f=-0.7) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc=-0.00436 (180deg=-0.11) USER MOD Single : A 51 TYR OH : rot 94:sc= 0.111 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0657 K(o=-0.066,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc= 0.979 K(o=0.98,f=-0.45) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.57! C(o=-1.6!,f=-6.6!) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.982) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.7!) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0261 (180deg=-0.306) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 90 THR OG1 : rot 73:sc= 0.633 USER MOD Single : A 101 SER OG : rot -114:sc= 0.0119 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 120 ASN : amide:sc= 1.02 K(o=1,f=-5.5!) USER MOD Single : A 121 MET CE :methyl 164:sc= -0.0498 (180deg=-0.386) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -170:sc= -0.0135 (180deg=-0.182) USER MOD Single : A 128 THR OG1 : rot -35:sc= 0.922 USER MOD Single : A 133 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.68) USER MOD Single : A 140 SER OG : rot -57:sc= 0.0103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -25.224 -4.414 0.344 1.00 0.00 N ATOM 2 CA GLY A 15 -24.627 -5.164 1.476 1.00 0.00 C ATOM 3 C GLY A 15 -23.675 -4.308 2.282 1.00 0.00 C ATOM 4 O GLY A 15 -23.235 -3.256 1.817 1.00 0.00 O ATOM 0 HA2 GLY A 15 -25.421 -5.534 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -24.096 -6.036 1.094 1.00 0.00 H new ATOM 10 N SER A 16 -23.360 -4.750 3.492 1.00 0.00 N ATOM 11 CA SER A 16 -22.475 -4.002 4.370 1.00 0.00 C ATOM 12 C SER A 16 -21.028 -4.126 3.908 1.00 0.00 C ATOM 13 O SER A 16 -20.436 -5.208 3.966 1.00 0.00 O ATOM 14 CB SER A 16 -22.610 -4.501 5.811 1.00 0.00 C ATOM 15 OG SER A 16 -21.910 -3.663 6.715 1.00 0.00 O ATOM 0 H SER A 16 -23.706 -5.625 3.887 1.00 0.00 H new ATOM 0 HA SER A 16 -22.763 -2.951 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.664 -4.538 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.226 -5.518 5.883 1.00 0.00 H new ATOM 0 HG SER A 16 -22.016 -4.005 7.627 1.00 0.00 H new ATOM 21 N SER A 17 -20.473 -3.021 3.433 1.00 0.00 N ATOM 22 CA SER A 17 -19.083 -2.981 3.017 1.00 0.00 C ATOM 23 C SER A 17 -18.167 -3.158 4.220 1.00 0.00 C ATOM 24 O SER A 17 -18.403 -2.583 5.285 1.00 0.00 O ATOM 25 CB SER A 17 -18.777 -1.658 2.317 1.00 0.00 C ATOM 26 OG SER A 17 -19.679 -1.425 1.246 1.00 0.00 O ATOM 0 H SER A 17 -20.969 -2.136 3.326 1.00 0.00 H new ATOM 0 HA SER A 17 -18.907 -3.798 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.841 -0.840 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.755 -1.671 1.939 1.00 0.00 H new ATOM 0 HG SER A 17 -19.463 -0.571 0.816 1.00 0.00 H new ATOM 32 N GLY A 18 -17.138 -3.970 4.049 1.00 0.00 N ATOM 33 CA GLY A 18 -16.186 -4.198 5.112 1.00 0.00 C ATOM 34 C GLY A 18 -15.371 -2.963 5.432 1.00 0.00 C ATOM 35 O GLY A 18 -14.744 -2.375 4.546 1.00 0.00 O ATOM 0 H GLY A 18 -16.944 -4.479 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.716 -4.522 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.515 -5.009 4.828 1.00 0.00 H new ATOM 39 N ASN A 19 -15.383 -2.570 6.695 1.00 0.00 N ATOM 40 CA ASN A 19 -14.655 -1.390 7.141 1.00 0.00 C ATOM 41 C ASN A 19 -13.157 -1.666 7.146 1.00 0.00 C ATOM 42 O ASN A 19 -12.723 -2.791 7.393 1.00 0.00 O ATOM 43 CB ASN A 19 -15.107 -0.969 8.542 1.00 0.00 C ATOM 44 CG ASN A 19 -16.581 -0.619 8.606 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.971 0.522 8.353 1.00 0.00 O ATOM 46 ND2 ASN A 19 -17.408 -1.591 8.961 1.00 0.00 N ATOM 0 H ASN A 19 -15.892 -3.053 7.435 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.869 -0.577 6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.900 -1.777 9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.520 -0.109 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.409 -1.408 9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.044 -2.522 9.162 1.00 0.00 H new ATOM 53 N PRO A 20 -12.353 -0.622 6.883 1.00 0.00 N ATOM 54 CA PRO A 20 -10.894 -0.734 6.788 1.00 0.00 C ATOM 55 C PRO A 20 -10.272 -1.135 8.113 1.00 0.00 C ATOM 56 O PRO A 20 -9.219 -1.766 8.153 1.00 0.00 O ATOM 57 CB PRO A 20 -10.427 0.672 6.396 1.00 0.00 C ATOM 58 CG PRO A 20 -11.653 1.417 5.996 1.00 0.00 C ATOM 59 CD PRO A 20 -12.810 0.757 6.678 1.00 0.00 C ATOM 0 HA PRO A 20 -10.599 -1.501 6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.927 1.164 7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.711 0.630 5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.580 2.465 6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.781 1.396 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.049 1.244 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.710 0.793 6.064 1.00 0.00 H new ATOM 67 N GLU A 21 -10.937 -0.753 9.192 1.00 0.00 N ATOM 68 CA GLU A 21 -10.499 -1.097 10.539 1.00 0.00 C ATOM 69 C GLU A 21 -10.591 -2.599 10.755 1.00 0.00 C ATOM 70 O GLU A 21 -9.763 -3.196 11.438 1.00 0.00 O ATOM 71 CB GLU A 21 -11.372 -0.387 11.566 1.00 0.00 C ATOM 72 CG GLU A 21 -11.601 1.072 11.240 1.00 0.00 C ATOM 73 CD GLU A 21 -12.573 1.736 12.190 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.262 1.837 13.393 1.00 0.00 O ATOM 75 OE2 GLU A 21 -13.660 2.151 11.741 1.00 0.00 O ATOM 0 H GLU A 21 -11.792 -0.198 9.161 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.463 -0.780 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.334 -0.895 11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.905 -0.465 12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.649 1.601 11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.979 1.158 10.221 1.00 0.00 H new ATOM 82 N ASP A 22 -11.607 -3.198 10.153 1.00 0.00 N ATOM 83 CA ASP A 22 -11.850 -4.632 10.286 1.00 0.00 C ATOM 84 C ASP A 22 -10.837 -5.448 9.491 1.00 0.00 C ATOM 85 O ASP A 22 -10.716 -6.658 9.683 1.00 0.00 O ATOM 86 CB ASP A 22 -13.268 -4.985 9.836 1.00 0.00 C ATOM 87 CG ASP A 22 -14.321 -4.566 10.838 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.729 -3.387 10.825 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.756 -5.424 11.639 1.00 0.00 O ATOM 0 H ASP A 22 -12.282 -2.712 9.563 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.738 -4.883 11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.471 -4.504 8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.336 -6.061 9.673 1.00 0.00 H new ATOM 94 N PHE A 23 -10.117 -4.787 8.594 1.00 0.00 N ATOM 95 CA PHE A 23 -9.069 -5.442 7.826 1.00 0.00 C ATOM 96 C PHE A 23 -7.930 -5.868 8.740 1.00 0.00 C ATOM 97 O PHE A 23 -7.642 -5.224 9.749 1.00 0.00 O ATOM 98 CB PHE A 23 -8.524 -4.510 6.738 1.00 0.00 C ATOM 99 CG PHE A 23 -9.352 -4.469 5.482 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.581 -3.836 5.462 1.00 0.00 C ATOM 101 CD2 PHE A 23 -8.889 -5.058 4.316 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.336 -3.790 4.305 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.638 -5.015 3.156 1.00 0.00 C ATOM 104 CZ PHE A 23 -10.863 -4.379 3.151 1.00 0.00 C ATOM 0 H PHE A 23 -10.240 -3.797 8.381 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.503 -6.322 7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.452 -3.501 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.512 -4.824 6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.956 -3.371 6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.931 -5.557 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.295 -3.293 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.266 -5.478 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.450 -4.343 2.245 1.00 0.00 H new ATOM 114 N LYS A 24 -7.284 -6.956 8.366 1.00 0.00 N ATOM 115 CA LYS A 24 -6.130 -7.460 9.089 1.00 0.00 C ATOM 116 C LYS A 24 -4.946 -6.554 8.786 1.00 0.00 C ATOM 117 O LYS A 24 -4.016 -6.415 9.580 1.00 0.00 O ATOM 118 CB LYS A 24 -5.820 -8.892 8.637 1.00 0.00 C ATOM 119 CG LYS A 24 -5.376 -9.844 9.744 1.00 0.00 C ATOM 120 CD LYS A 24 -4.237 -9.283 10.578 1.00 0.00 C ATOM 121 CE LYS A 24 -3.708 -10.310 11.568 1.00 0.00 C ATOM 122 NZ LYS A 24 -4.754 -10.766 12.522 1.00 0.00 N ATOM 0 H LYS A 24 -7.543 -7.515 7.553 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.331 -7.469 10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.709 -9.305 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.039 -8.855 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.224 -10.060 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.065 -10.790 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.429 -8.960 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.581 -8.400 11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.317 -11.169 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.875 -9.880 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.321 -11.372 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.193 -9.940 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.480 -11.305 12.009 1.00 0.00 H new ATOM 136 N VAL A 25 -5.009 -5.923 7.621 1.00 0.00 N ATOM 137 CA VAL A 25 -3.954 -5.040 7.171 1.00 0.00 C ATOM 138 C VAL A 25 -3.980 -3.723 7.939 1.00 0.00 C ATOM 139 O VAL A 25 -3.013 -2.976 7.921 1.00 0.00 O ATOM 140 CB VAL A 25 -4.053 -4.760 5.649 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.718 -5.916 4.925 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.780 -3.455 5.357 1.00 0.00 C ATOM 0 H VAL A 25 -5.789 -6.011 6.969 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.009 -5.547 7.366 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.034 -4.658 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.775 -5.694 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.134 -6.824 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.724 -6.062 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.827 -3.298 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.791 -3.504 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.243 -2.628 5.821 1.00 0.00 H new ATOM 152 N PHE A 26 -5.086 -3.449 8.626 1.00 0.00 N ATOM 153 CA PHE A 26 -5.232 -2.197 9.357 1.00 0.00 C ATOM 154 C PHE A 26 -4.094 -2.033 10.358 1.00 0.00 C ATOM 155 O PHE A 26 -3.426 -1.004 10.386 1.00 0.00 O ATOM 156 CB PHE A 26 -6.583 -2.145 10.075 1.00 0.00 C ATOM 157 CG PHE A 26 -6.864 -0.822 10.733 1.00 0.00 C ATOM 158 CD1 PHE A 26 -7.246 0.273 9.974 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.747 -0.674 12.105 1.00 0.00 C ATOM 160 CE1 PHE A 26 -7.504 1.491 10.572 1.00 0.00 C ATOM 161 CE2 PHE A 26 -7.004 0.542 12.709 1.00 0.00 C ATOM 162 CZ PHE A 26 -7.383 1.625 11.941 1.00 0.00 C ATOM 0 H PHE A 26 -5.889 -4.074 8.691 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.191 -1.375 8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.375 -2.360 9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.615 -2.931 10.830 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.343 0.173 8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.452 -1.519 12.710 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.800 2.337 9.970 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.909 0.645 13.780 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.585 2.576 12.411 1.00 0.00 H new ATOM 172 N LYS A 27 -3.859 -3.066 11.154 1.00 0.00 N ATOM 173 CA LYS A 27 -2.796 -3.052 12.130 1.00 0.00 C ATOM 174 C LYS A 27 -1.434 -3.172 11.452 1.00 0.00 C ATOM 175 O LYS A 27 -0.473 -2.520 11.859 1.00 0.00 O ATOM 176 CB LYS A 27 -3.028 -4.209 13.098 1.00 0.00 C ATOM 177 CG LYS A 27 -1.806 -4.638 13.880 1.00 0.00 C ATOM 178 CD LYS A 27 -1.727 -3.979 15.253 1.00 0.00 C ATOM 179 CE LYS A 27 -1.580 -2.469 15.159 1.00 0.00 C ATOM 180 NZ LYS A 27 -1.534 -1.827 16.498 1.00 0.00 N ATOM 0 H LYS A 27 -4.401 -3.930 11.137 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.800 -2.107 12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.810 -3.924 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.401 -5.065 12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.819 -5.721 14.001 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.910 -4.391 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.625 -4.220 15.822 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.881 -4.391 15.803 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.670 -2.227 14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.414 -2.059 14.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.433 -0.798 16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.413 -2.035 17.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.723 -2.198 17.033 1.00 0.00 H new ATOM 194 N TYR A 28 -1.364 -3.989 10.408 1.00 0.00 N ATOM 195 CA TYR A 28 -0.109 -4.212 9.702 1.00 0.00 C ATOM 196 C TYR A 28 0.387 -2.940 9.026 1.00 0.00 C ATOM 197 O TYR A 28 1.537 -2.557 9.199 1.00 0.00 O ATOM 198 CB TYR A 28 -0.254 -5.327 8.673 1.00 0.00 C ATOM 199 CG TYR A 28 0.013 -6.703 9.230 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.314 -7.150 9.414 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.026 -7.555 9.573 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.573 -8.404 9.923 1.00 0.00 C ATOM 203 CE2 TYR A 28 -0.775 -8.812 10.084 1.00 0.00 C ATOM 204 CZ TYR A 28 0.524 -9.230 10.256 1.00 0.00 C ATOM 205 OH TYR A 28 0.773 -10.480 10.765 1.00 0.00 O ATOM 0 H TYR A 28 -2.159 -4.506 10.033 1.00 0.00 H new ATOM 0 HA TYR A 28 0.630 -4.512 10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.263 -5.301 8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.432 -5.139 7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.139 -6.503 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.047 -7.230 9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.592 -8.736 10.060 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.594 -9.464 10.348 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.076 -10.934 10.948 1.00 0.00 H new ATOM 215 N MET A 29 -0.476 -2.294 8.261 1.00 0.00 N ATOM 216 CA MET A 29 -0.135 -1.036 7.610 1.00 0.00 C ATOM 217 C MET A 29 0.166 0.048 8.642 1.00 0.00 C ATOM 218 O MET A 29 0.996 0.927 8.410 1.00 0.00 O ATOM 219 CB MET A 29 -1.267 -0.593 6.675 1.00 0.00 C ATOM 220 CG MET A 29 -1.262 -1.291 5.317 1.00 0.00 C ATOM 221 SD MET A 29 -1.181 -3.086 5.421 1.00 0.00 S ATOM 222 CE MET A 29 -1.241 -3.508 3.683 1.00 0.00 C ATOM 0 H MET A 29 -1.424 -2.620 8.073 1.00 0.00 H new ATOM 0 HA MET A 29 0.764 -1.193 7.015 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.223 -0.781 7.165 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.195 0.483 6.519 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.162 -1.009 4.771 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.412 -0.932 4.738 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.052 -4.215 3.508 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.413 -2.606 3.095 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.295 -3.960 3.385 1.00 0.00 H new ATOM 232 N LYS A 30 -0.492 -0.026 9.792 1.00 0.00 N ATOM 233 CA LYS A 30 -0.256 0.931 10.865 1.00 0.00 C ATOM 234 C LYS A 30 1.110 0.727 11.513 1.00 0.00 C ATOM 235 O LYS A 30 1.779 1.695 11.868 1.00 0.00 O ATOM 236 CB LYS A 30 -1.364 0.861 11.915 1.00 0.00 C ATOM 237 CG LYS A 30 -2.598 1.685 11.562 1.00 0.00 C ATOM 238 CD LYS A 30 -2.255 3.138 11.251 1.00 0.00 C ATOM 239 CE LYS A 30 -1.461 3.777 12.373 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.094 5.186 12.069 1.00 0.00 N ATOM 0 H LYS A 30 -1.192 -0.737 10.005 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.266 1.925 10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.659 -0.180 12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.969 1.206 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.095 1.239 10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.305 1.650 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.682 3.187 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.173 3.702 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.045 3.746 13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.555 3.197 12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.481 5.556 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.587 5.225 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.956 5.764 12.009 1.00 0.00 H new ATOM 254 N ILE A 31 1.535 -0.521 11.667 1.00 0.00 N ATOM 255 CA ILE A 31 2.858 -0.786 12.217 1.00 0.00 C ATOM 256 C ILE A 31 3.907 -0.712 11.117 1.00 0.00 C ATOM 257 O ILE A 31 5.087 -0.545 11.393 1.00 0.00 O ATOM 258 CB ILE A 31 2.945 -2.147 12.942 1.00 0.00 C ATOM 259 CG1 ILE A 31 2.771 -3.308 11.961 1.00 0.00 C ATOM 260 CG2 ILE A 31 1.910 -2.214 14.053 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.641 -4.661 12.632 1.00 0.00 C ATOM 0 H ILE A 31 0.995 -1.351 11.424 1.00 0.00 H new ATOM 0 HA ILE A 31 3.050 -0.016 12.964 1.00 0.00 H new ATOM 0 HB ILE A 31 3.937 -2.238 13.385 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.885 -3.128 11.353 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.624 -3.330 11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.980 -3.178 14.558 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.094 -1.414 14.770 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.913 -2.098 13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.521 -5.434 11.873 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.537 -4.864 13.218 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.771 -4.659 13.289 1.00 0.00 H new ATOM 273 N LEU A 32 3.462 -0.838 9.872 1.00 0.00 N ATOM 274 CA LEU A 32 4.314 -0.606 8.711 1.00 0.00 C ATOM 275 C LEU A 32 4.803 0.833 8.756 1.00 0.00 C ATOM 276 O LEU A 32 5.993 1.107 8.595 1.00 0.00 O ATOM 277 CB LEU A 32 3.515 -0.882 7.425 1.00 0.00 C ATOM 278 CG LEU A 32 4.317 -1.002 6.121 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.459 -1.653 5.047 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.799 0.359 5.641 1.00 0.00 C ATOM 0 H LEU A 32 2.505 -1.103 9.639 1.00 0.00 H new ATOM 0 HA LEU A 32 5.174 -1.275 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.955 -1.807 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.784 -0.083 7.302 1.00 0.00 H new ATOM 0 HG LEU A 32 5.192 -1.621 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.033 -1.736 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.156 -2.647 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.573 -1.043 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.363 0.240 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.941 1.006 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.439 0.807 6.401 1.00 0.00 H new ATOM 292 N GLU A 33 3.855 1.733 9.008 1.00 0.00 N ATOM 293 CA GLU A 33 4.125 3.153 9.192 1.00 0.00 C ATOM 294 C GLU A 33 5.302 3.362 10.143 1.00 0.00 C ATOM 295 O GLU A 33 6.227 4.123 9.863 1.00 0.00 O ATOM 296 CB GLU A 33 2.882 3.810 9.780 1.00 0.00 C ATOM 297 CG GLU A 33 2.615 5.205 9.267 1.00 0.00 C ATOM 298 CD GLU A 33 1.475 5.879 9.999 1.00 0.00 C ATOM 299 OE1 GLU A 33 0.306 5.511 9.767 1.00 0.00 O ATOM 300 OE2 GLU A 33 1.743 6.780 10.820 1.00 0.00 O ATOM 0 H GLU A 33 2.867 1.492 9.091 1.00 0.00 H new ATOM 0 HA GLU A 33 4.377 3.597 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.017 3.184 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.984 3.848 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.518 5.807 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.384 5.160 8.203 1.00 0.00 H new ATOM 307 N GLU A 34 5.248 2.671 11.271 1.00 0.00 N ATOM 308 CA GLU A 34 6.285 2.755 12.284 1.00 0.00 C ATOM 309 C GLU A 34 7.552 2.016 11.858 1.00 0.00 C ATOM 310 O GLU A 34 8.646 2.577 11.885 1.00 0.00 O ATOM 311 CB GLU A 34 5.754 2.178 13.599 1.00 0.00 C ATOM 312 CG GLU A 34 6.832 1.833 14.611 1.00 0.00 C ATOM 313 CD GLU A 34 6.256 1.436 15.954 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.639 0.355 16.045 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.403 2.213 16.922 1.00 0.00 O ATOM 0 H GLU A 34 4.485 2.037 11.509 1.00 0.00 H new ATOM 0 HA GLU A 34 6.549 3.804 12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.068 2.897 14.047 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.176 1.280 13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.442 1.016 14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.493 2.690 14.741 1.00 0.00 H new ATOM 322 N ALA A 35 7.382 0.774 11.431 1.00 0.00 N ATOM 323 CA ALA A 35 8.492 -0.141 11.195 1.00 0.00 C ATOM 324 C ALA A 35 9.454 0.369 10.127 1.00 0.00 C ATOM 325 O ALA A 35 10.667 0.189 10.247 1.00 0.00 O ATOM 326 CB ALA A 35 7.956 -1.516 10.823 1.00 0.00 C ATOM 0 H ALA A 35 6.466 0.369 11.237 1.00 0.00 H new ATOM 0 HA ALA A 35 9.063 -0.210 12.121 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.789 -2.196 10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.340 -1.899 11.637 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.354 -1.439 9.918 1.00 0.00 H new ATOM 332 N MET A 36 8.920 1.013 9.097 1.00 0.00 N ATOM 333 CA MET A 36 9.741 1.534 8.011 1.00 0.00 C ATOM 334 C MET A 36 10.766 2.543 8.517 1.00 0.00 C ATOM 335 O MET A 36 11.933 2.498 8.124 1.00 0.00 O ATOM 336 CB MET A 36 8.856 2.168 6.942 1.00 0.00 C ATOM 337 CG MET A 36 7.956 1.179 6.225 1.00 0.00 C ATOM 338 SD MET A 36 8.852 0.019 5.167 1.00 0.00 S ATOM 339 CE MET A 36 9.133 -1.355 6.287 1.00 0.00 C ATOM 0 H MET A 36 7.921 1.187 8.991 1.00 0.00 H new ATOM 0 HA MET A 36 10.288 0.698 7.574 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.238 2.937 7.405 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.489 2.666 6.208 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.386 0.617 6.965 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.236 1.729 5.619 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.194 -1.604 6.298 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.815 -1.076 7.292 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.561 -2.220 5.952 1.00 0.00 H new ATOM 349 N GLU A 37 10.344 3.447 9.391 1.00 0.00 N ATOM 350 CA GLU A 37 11.268 4.438 9.935 1.00 0.00 C ATOM 351 C GLU A 37 11.906 3.930 11.231 1.00 0.00 C ATOM 352 O GLU A 37 12.833 4.542 11.770 1.00 0.00 O ATOM 353 CB GLU A 37 10.568 5.784 10.163 1.00 0.00 C ATOM 354 CG GLU A 37 11.529 6.897 10.559 1.00 0.00 C ATOM 355 CD GLU A 37 10.880 8.262 10.605 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.083 8.520 11.533 1.00 0.00 O ATOM 357 OE2 GLU A 37 11.188 9.099 9.733 1.00 0.00 O ATOM 0 H GLU A 37 9.386 3.517 9.735 1.00 0.00 H new ATOM 0 HA GLU A 37 12.060 4.595 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.043 6.072 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.815 5.668 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.952 6.671 11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.358 6.920 9.851 1.00 0.00 H new ATOM 364 N ASN A 38 11.411 2.804 11.727 1.00 0.00 N ATOM 365 CA ASN A 38 11.954 2.194 12.936 1.00 0.00 C ATOM 366 C ASN A 38 13.301 1.549 12.634 1.00 0.00 C ATOM 367 O ASN A 38 14.127 1.354 13.528 1.00 0.00 O ATOM 368 CB ASN A 38 10.984 1.148 13.497 1.00 0.00 C ATOM 369 CG ASN A 38 11.366 0.666 14.887 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.168 -0.501 15.224 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.874 1.565 15.717 1.00 0.00 N ATOM 0 H ASN A 38 10.633 2.293 11.311 1.00 0.00 H new ATOM 0 HA ASN A 38 12.091 2.974 13.685 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.980 1.572 13.529 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.948 0.294 12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.115 1.299 16.672 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.024 2.523 15.401 1.00 0.00 H new ATOM 378 N ASP A 39 13.510 1.217 11.363 1.00 0.00 N ATOM 379 CA ASP A 39 14.782 0.681 10.902 1.00 0.00 C ATOM 380 C ASP A 39 15.895 1.678 11.189 1.00 0.00 C ATOM 381 O ASP A 39 15.773 2.873 10.911 1.00 0.00 O ATOM 382 CB ASP A 39 14.721 0.377 9.403 1.00 0.00 C ATOM 383 CG ASP A 39 16.006 -0.239 8.886 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.204 -1.458 9.084 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.827 0.489 8.295 1.00 0.00 O ATOM 0 H ASP A 39 12.807 1.312 10.630 1.00 0.00 H new ATOM 0 HA ASP A 39 14.987 -0.247 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.891 -0.302 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.517 1.298 8.856 1.00 0.00 H new ATOM 390 N THR A 40 16.970 1.162 11.765 1.00 0.00 N ATOM 391 CA THR A 40 18.083 1.973 12.241 1.00 0.00 C ATOM 392 C THR A 40 18.696 2.831 11.138 1.00 0.00 C ATOM 393 O THR A 40 19.104 3.964 11.384 1.00 0.00 O ATOM 394 CB THR A 40 19.172 1.077 12.853 1.00 0.00 C ATOM 395 OG1 THR A 40 19.419 -0.040 11.991 1.00 0.00 O ATOM 396 CG2 THR A 40 18.753 0.576 14.227 1.00 0.00 C ATOM 0 H THR A 40 17.097 0.161 11.917 1.00 0.00 H new ATOM 0 HA THR A 40 17.680 2.645 12.999 1.00 0.00 H new ATOM 0 HB THR A 40 20.082 1.667 12.961 1.00 0.00 H new ATOM 0 HG1 THR A 40 20.115 -0.608 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.540 -0.056 14.639 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.586 1.426 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.833 -0.002 14.139 1.00 0.00 H new ATOM 404 N GLU A 41 18.771 2.287 9.933 1.00 0.00 N ATOM 405 CA GLU A 41 19.305 3.025 8.798 1.00 0.00 C ATOM 406 C GLU A 41 18.184 3.548 7.913 1.00 0.00 C ATOM 407 O GLU A 41 18.462 4.070 6.835 1.00 0.00 O ATOM 408 CB GLU A 41 20.215 2.132 7.959 1.00 0.00 C ATOM 409 CG GLU A 41 21.428 1.615 8.702 1.00 0.00 C ATOM 410 CD GLU A 41 22.319 0.777 7.813 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.078 -0.442 7.701 1.00 0.00 O ATOM 412 OE2 GLU A 41 23.257 1.337 7.208 1.00 0.00 O ATOM 0 H GLU A 41 18.469 1.337 9.716 1.00 0.00 H new ATOM 0 HA GLU A 41 19.875 3.866 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.637 1.283 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.549 2.691 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.997 2.456 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.104 1.020 9.556 1.00 0.00 H new ATOM 419 N ASN A 42 16.938 3.442 8.401 1.00 0.00 N ATOM 420 CA ASN A 42 15.721 3.767 7.637 1.00 0.00 C ATOM 421 C ASN A 42 15.955 3.625 6.137 1.00 0.00 C ATOM 422 O ASN A 42 16.009 4.605 5.386 1.00 0.00 O ATOM 423 CB ASN A 42 15.103 5.142 8.019 1.00 0.00 C ATOM 424 CG ASN A 42 15.837 6.389 7.525 1.00 0.00 C ATOM 425 OD1 ASN A 42 15.198 7.391 7.194 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.155 6.364 7.496 1.00 0.00 N ATOM 0 H ASN A 42 16.744 3.124 9.350 1.00 0.00 H new ATOM 0 HA ASN A 42 14.969 3.030 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.083 5.174 7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.037 5.195 9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.674 7.188 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.655 5.520 7.776 1.00 0.00 H new ATOM 433 N LEU A 43 16.100 2.366 5.718 1.00 0.00 N ATOM 434 CA LEU A 43 16.416 2.014 4.333 1.00 0.00 C ATOM 435 C LEU A 43 15.370 2.546 3.357 1.00 0.00 C ATOM 436 O LEU A 43 15.528 2.429 2.142 1.00 0.00 O ATOM 437 CB LEU A 43 16.524 0.494 4.193 1.00 0.00 C ATOM 438 CG LEU A 43 17.544 -0.179 5.116 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.481 -1.690 4.967 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.950 0.326 4.823 1.00 0.00 C ATOM 0 H LEU A 43 16.001 1.559 6.333 1.00 0.00 H new ATOM 0 HA LEU A 43 17.370 2.479 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.543 0.058 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.782 0.259 3.161 1.00 0.00 H new ATOM 0 HG LEU A 43 17.295 0.078 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.212 -2.152 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.482 -2.040 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.703 -1.963 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.659 -0.165 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.209 0.101 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.990 1.404 4.981 1.00 0.00 H new ATOM 452 N ILE A 44 14.317 3.146 3.896 1.00 0.00 N ATOM 453 CA ILE A 44 13.256 3.723 3.091 1.00 0.00 C ATOM 454 C ILE A 44 13.806 4.832 2.185 1.00 0.00 C ATOM 455 O ILE A 44 13.251 5.114 1.127 1.00 0.00 O ATOM 456 CB ILE A 44 12.125 4.294 3.983 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.809 4.297 3.218 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.453 5.702 4.466 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.136 2.944 3.160 1.00 0.00 C ATOM 0 H ILE A 44 14.177 3.245 4.902 1.00 0.00 H new ATOM 0 HA ILE A 44 12.843 2.927 2.472 1.00 0.00 H new ATOM 0 HB ILE A 44 12.032 3.653 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.130 5.011 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.991 4.646 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.639 6.072 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.374 5.682 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.581 6.361 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.205 3.025 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.796 2.230 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.922 2.601 4.172 1.00 0.00 H new ATOM 471 N GLU A 45 14.917 5.441 2.604 1.00 0.00 N ATOM 472 CA GLU A 45 15.535 6.523 1.844 1.00 0.00 C ATOM 473 C GLU A 45 16.297 5.985 0.636 1.00 0.00 C ATOM 474 O GLU A 45 16.613 6.730 -0.291 1.00 0.00 O ATOM 475 CB GLU A 45 16.471 7.340 2.736 1.00 0.00 C ATOM 476 CG GLU A 45 17.514 6.501 3.445 1.00 0.00 C ATOM 477 CD GLU A 45 18.461 7.328 4.291 1.00 0.00 C ATOM 478 OE1 GLU A 45 17.982 8.151 5.097 1.00 0.00 O ATOM 479 OE2 GLU A 45 19.695 7.172 4.145 1.00 0.00 O ATOM 0 H GLU A 45 15.406 5.201 3.467 1.00 0.00 H new ATOM 0 HA GLU A 45 14.738 7.172 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.973 8.093 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.878 7.873 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.014 5.769 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.088 5.943 2.705 1.00 0.00 H new ATOM 486 N LYS A 46 16.575 4.688 0.650 1.00 0.00 N ATOM 487 CA LYS A 46 17.337 4.049 -0.415 1.00 0.00 C ATOM 488 C LYS A 46 16.404 3.426 -1.447 1.00 0.00 C ATOM 489 O LYS A 46 16.823 3.050 -2.544 1.00 0.00 O ATOM 490 CB LYS A 46 18.251 2.982 0.180 1.00 0.00 C ATOM 491 CG LYS A 46 19.326 3.564 1.080 1.00 0.00 C ATOM 492 CD LYS A 46 19.973 2.506 1.959 1.00 0.00 C ATOM 493 CE LYS A 46 20.699 1.461 1.135 1.00 0.00 C ATOM 494 NZ LYS A 46 21.868 2.027 0.414 1.00 0.00 N ATOM 0 H LYS A 46 16.282 4.054 1.393 1.00 0.00 H new ATOM 0 HA LYS A 46 17.942 4.805 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.651 2.273 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.723 2.423 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.090 4.042 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.890 4.340 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.675 2.981 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.210 2.023 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.033 0.654 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.007 1.024 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.430 1.254 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.536 2.655 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.457 2.568 1.079 1.00 0.00 H new ATOM 508 N VAL A 47 15.139 3.325 -1.080 1.00 0.00 N ATOM 509 CA VAL A 47 14.126 2.716 -1.925 1.00 0.00 C ATOM 510 C VAL A 47 12.912 3.645 -2.021 1.00 0.00 C ATOM 511 O VAL A 47 11.770 3.209 -2.130 1.00 0.00 O ATOM 512 CB VAL A 47 13.734 1.313 -1.385 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.131 1.407 0.009 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.796 0.583 -2.339 1.00 0.00 C ATOM 0 H VAL A 47 14.784 3.664 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 47 14.528 2.574 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 47 14.650 0.727 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.867 0.409 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.857 1.850 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.236 2.029 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.545 -0.394 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.885 1.166 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.287 0.454 -3.304 1.00 0.00 H new ATOM 524 N ARG A 48 13.182 4.945 -1.966 1.00 0.00 N ATOM 525 CA ARG A 48 12.124 5.950 -1.943 1.00 0.00 C ATOM 526 C ARG A 48 11.133 5.773 -3.080 1.00 0.00 C ATOM 527 O ARG A 48 11.475 5.894 -4.260 1.00 0.00 O ATOM 528 CB ARG A 48 12.700 7.358 -1.981 1.00 0.00 C ATOM 529 CG ARG A 48 13.226 7.824 -0.642 1.00 0.00 C ATOM 530 CD ARG A 48 13.556 9.305 -0.674 1.00 0.00 C ATOM 531 NE ARG A 48 13.950 9.814 0.638 1.00 0.00 N ATOM 532 CZ ARG A 48 13.638 11.030 1.081 1.00 0.00 C ATOM 533 NH1 ARG A 48 12.912 11.849 0.328 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.046 11.423 2.280 1.00 0.00 N ATOM 0 H ARG A 48 14.127 5.329 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 48 11.588 5.807 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.507 7.394 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.929 8.050 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.484 7.630 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.117 7.255 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.362 9.480 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.689 9.861 -1.031 1.00 0.00 H new ATOM 0 HE ARG A 48 14.494 9.204 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.592 11.547 -0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.674 12.780 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.599 10.794 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.807 12.355 2.620 1.00 0.00 H new ATOM 548 N GLY A 49 9.901 5.504 -2.696 1.00 0.00 N ATOM 549 CA GLY A 49 8.839 5.282 -3.650 1.00 0.00 C ATOM 550 C GLY A 49 7.487 5.305 -2.978 1.00 0.00 C ATOM 551 O GLY A 49 7.402 5.241 -1.759 1.00 0.00 O ATOM 0 H GLY A 49 9.612 5.434 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.876 6.048 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.986 4.322 -4.145 1.00 0.00 H new ATOM 555 N ILE A 50 6.434 5.424 -3.752 1.00 0.00 N ATOM 556 CA ILE A 50 5.096 5.380 -3.199 1.00 0.00 C ATOM 557 C ILE A 50 4.465 4.025 -3.473 1.00 0.00 C ATOM 558 O ILE A 50 4.406 3.574 -4.617 1.00 0.00 O ATOM 559 CB ILE A 50 4.213 6.511 -3.760 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.821 7.863 -3.386 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.787 6.394 -3.239 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.037 9.053 -3.883 1.00 0.00 C ATOM 0 H ILE A 50 6.475 5.552 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 50 5.171 5.528 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 50 4.174 6.427 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.903 7.924 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.834 7.916 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.182 7.203 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.366 5.436 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.791 6.459 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.536 9.972 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.976 9.020 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.032 9.028 -3.463 1.00 0.00 H new ATOM 574 N TYR A 51 4.019 3.374 -2.416 1.00 0.00 N ATOM 575 CA TYR A 51 3.465 2.037 -2.526 1.00 0.00 C ATOM 576 C TYR A 51 1.956 2.082 -2.383 1.00 0.00 C ATOM 577 O TYR A 51 1.434 2.456 -1.335 1.00 0.00 O ATOM 578 CB TYR A 51 4.053 1.116 -1.454 1.00 0.00 C ATOM 579 CG TYR A 51 5.559 1.172 -1.355 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.357 0.502 -2.270 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.184 1.900 -0.350 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.732 0.554 -2.187 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.560 1.956 -0.261 1.00 0.00 C ATOM 584 CZ TYR A 51 8.328 1.282 -1.184 1.00 0.00 C ATOM 585 OH TYR A 51 9.697 1.332 -1.098 1.00 0.00 O ATOM 0 H TYR A 51 4.029 3.750 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 51 3.724 1.643 -3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.625 1.382 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.751 0.090 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.894 -0.070 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.583 2.431 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.339 0.025 -2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.031 2.525 0.527 1.00 0.00 H new ATOM 0 HH TYR A 51 10.025 2.128 -1.565 1.00 0.00 H new ATOM 595 N GLY A 52 1.258 1.718 -3.440 1.00 0.00 N ATOM 596 CA GLY A 52 -0.182 1.666 -3.381 1.00 0.00 C ATOM 597 C GLY A 52 -0.657 0.262 -3.106 1.00 0.00 C ATOM 598 O GLY A 52 -0.492 -0.626 -3.937 1.00 0.00 O ATOM 0 H GLY A 52 1.662 1.457 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.543 2.336 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.602 2.019 -4.323 1.00 0.00 H new ATOM 602 N PHE A 53 -1.212 0.046 -1.933 1.00 0.00 N ATOM 603 CA PHE A 53 -1.677 -1.281 -1.559 1.00 0.00 C ATOM 604 C PHE A 53 -3.173 -1.432 -1.779 1.00 0.00 C ATOM 605 O PHE A 53 -3.983 -0.850 -1.056 1.00 0.00 O ATOM 606 CB PHE A 53 -1.319 -1.596 -0.105 1.00 0.00 C ATOM 607 CG PHE A 53 0.001 -2.296 0.047 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.194 -1.616 -0.135 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.046 -3.643 0.372 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.407 -2.265 0.005 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.254 -4.297 0.513 1.00 0.00 C ATOM 612 CZ PHE A 53 2.437 -3.607 0.329 1.00 0.00 C ATOM 0 H PHE A 53 -1.354 0.764 -1.223 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.169 -1.996 -2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.297 -0.667 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.103 -2.217 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.177 -0.567 -0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.875 -4.188 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.330 -1.723 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.274 -5.347 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.383 -4.116 0.438 1.00 0.00 H new ATOM 622 N LYS A 54 -3.521 -2.209 -2.793 1.00 0.00 N ATOM 623 CA LYS A 54 -4.906 -2.538 -3.080 1.00 0.00 C ATOM 624 C LYS A 54 -5.255 -3.878 -2.448 1.00 0.00 C ATOM 625 O LYS A 54 -4.940 -4.938 -2.993 1.00 0.00 O ATOM 626 CB LYS A 54 -5.140 -2.600 -4.589 1.00 0.00 C ATOM 627 CG LYS A 54 -5.147 -1.249 -5.276 1.00 0.00 C ATOM 628 CD LYS A 54 -5.378 -1.404 -6.768 1.00 0.00 C ATOM 629 CE LYS A 54 -5.519 -0.061 -7.461 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.740 -0.216 -8.921 1.00 0.00 N ATOM 0 H LYS A 54 -2.851 -2.628 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.545 -1.761 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.365 -3.220 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.093 -3.095 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.928 -0.621 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.198 -0.742 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.547 -1.955 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.278 -1.996 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.352 0.488 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.621 0.533 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.832 0.722 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.933 -0.718 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.611 -0.761 -9.084 1.00 0.00 H new ATOM 644 N VAL A 55 -5.906 -3.823 -1.302 1.00 0.00 N ATOM 645 CA VAL A 55 -6.198 -5.020 -0.537 1.00 0.00 C ATOM 646 C VAL A 55 -7.622 -5.496 -0.800 1.00 0.00 C ATOM 647 O VAL A 55 -8.580 -4.772 -0.548 1.00 0.00 O ATOM 648 CB VAL A 55 -6.016 -4.772 0.971 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.092 -6.077 1.740 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.697 -4.063 1.245 1.00 0.00 C ATOM 0 H VAL A 55 -6.244 -2.959 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.496 -5.790 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.826 -4.127 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.961 -5.880 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.064 -6.541 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.306 -6.749 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.589 -3.898 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.872 -4.679 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.685 -3.104 0.727 1.00 0.00 H new ATOM 660 N ARG A 56 -7.753 -6.710 -1.310 1.00 0.00 N ATOM 661 CA ARG A 56 -9.063 -7.277 -1.613 1.00 0.00 C ATOM 662 C ARG A 56 -9.396 -8.388 -0.622 1.00 0.00 C ATOM 663 O ARG A 56 -8.592 -8.694 0.255 1.00 0.00 O ATOM 664 CB ARG A 56 -9.086 -7.829 -3.042 1.00 0.00 C ATOM 665 CG ARG A 56 -8.485 -6.890 -4.077 1.00 0.00 C ATOM 666 CD ARG A 56 -8.694 -7.408 -5.490 1.00 0.00 C ATOM 667 NE ARG A 56 -10.081 -7.260 -5.930 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.711 -8.118 -6.734 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.090 -9.207 -7.180 1.00 0.00 N ATOM 670 NH2 ARG A 56 -11.968 -7.884 -7.094 1.00 0.00 N ATOM 0 H ARG A 56 -6.968 -7.325 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.811 -6.489 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.543 -8.774 -3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.117 -8.047 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.937 -5.903 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.418 -6.772 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.038 -6.870 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.410 -8.459 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.601 -6.447 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.124 -9.391 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.579 -9.858 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.449 -7.050 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.453 -8.538 -7.709 1.00 0.00 H new ATOM 684 N ASN A 57 -10.579 -8.985 -0.770 1.00 0.00 N ATOM 685 CA ASN A 57 -11.008 -10.103 0.083 1.00 0.00 C ATOM 686 C ASN A 57 -11.060 -9.688 1.546 1.00 0.00 C ATOM 687 O ASN A 57 -10.620 -10.425 2.429 1.00 0.00 O ATOM 688 CB ASN A 57 -10.078 -11.315 -0.065 1.00 0.00 C ATOM 689 CG ASN A 57 -10.126 -11.957 -1.441 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.367 -11.293 -2.453 1.00 0.00 O ATOM 691 ND2 ASN A 57 -9.889 -13.257 -1.491 1.00 0.00 N ATOM 0 H ASN A 57 -11.264 -8.714 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.008 -10.385 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.055 -11.004 0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.345 -12.061 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.902 -13.744 -2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.693 -13.773 -0.633 1.00 0.00 H new ATOM 698 N GLY A 58 -11.578 -8.495 1.796 1.00 0.00 N ATOM 699 CA GLY A 58 -11.713 -8.014 3.156 1.00 0.00 C ATOM 700 C GLY A 58 -12.903 -8.625 3.875 1.00 0.00 C ATOM 701 O GLY A 58 -13.487 -9.590 3.382 1.00 0.00 O ATOM 0 H GLY A 58 -11.908 -7.849 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.802 -8.241 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.817 -6.929 3.145 1.00 0.00 H new ATOM 705 N PRO A 59 -13.287 -8.051 5.035 1.00 0.00 N ATOM 706 CA PRO A 59 -14.360 -8.548 5.904 1.00 0.00 C ATOM 707 C PRO A 59 -15.499 -9.251 5.163 1.00 0.00 C ATOM 708 O PRO A 59 -15.765 -10.429 5.392 1.00 0.00 O ATOM 709 CB PRO A 59 -14.867 -7.268 6.556 1.00 0.00 C ATOM 710 CG PRO A 59 -13.688 -6.350 6.611 1.00 0.00 C ATOM 711 CD PRO A 59 -12.673 -6.848 5.612 1.00 0.00 C ATOM 0 HA PRO A 59 -13.993 -9.310 6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.679 -6.828 5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.257 -7.465 7.554 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.987 -5.329 6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.262 -6.334 7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.469 -6.100 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.722 -7.079 6.093 1.00 0.00 H new ATOM 719 N ASN A 60 -16.164 -8.530 4.273 1.00 0.00 N ATOM 720 CA ASN A 60 -17.262 -9.101 3.502 1.00 0.00 C ATOM 721 C ASN A 60 -16.946 -9.025 2.016 1.00 0.00 C ATOM 722 O ASN A 60 -17.771 -8.581 1.215 1.00 0.00 O ATOM 723 CB ASN A 60 -18.572 -8.360 3.792 1.00 0.00 C ATOM 724 CG ASN A 60 -18.964 -8.391 5.257 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.645 -9.332 5.985 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.665 -7.360 5.700 1.00 0.00 N ATOM 0 H ASN A 60 -15.965 -7.551 4.066 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.382 -10.144 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.474 -7.323 3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.372 -8.804 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.961 -7.326 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.910 -6.600 5.066 1.00 0.00 H new ATOM 733 N GLY A 61 -15.740 -9.448 1.656 1.00 0.00 N ATOM 734 CA GLY A 61 -15.288 -9.307 0.286 1.00 0.00 C ATOM 735 C GLY A 61 -14.985 -7.859 -0.035 1.00 0.00 C ATOM 736 O GLY A 61 -15.123 -7.414 -1.176 1.00 0.00 O ATOM 0 H GLY A 61 -15.069 -9.885 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.396 -9.913 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.053 -9.682 -0.394 1.00 0.00 H new ATOM 740 N ALA A 62 -14.572 -7.126 0.987 1.00 0.00 N ATOM 741 CA ALA A 62 -14.320 -5.700 0.860 1.00 0.00 C ATOM 742 C ALA A 62 -12.957 -5.433 0.266 1.00 0.00 C ATOM 743 O ALA A 62 -12.105 -6.319 0.200 1.00 0.00 O ATOM 744 CB ALA A 62 -14.442 -5.016 2.211 1.00 0.00 C ATOM 0 H ALA A 62 -14.403 -7.500 1.921 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.071 -5.290 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.250 -3.949 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.448 -5.164 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.716 -5.444 2.902 1.00 0.00 H new ATOM 750 N GLU A 63 -12.764 -4.203 -0.159 1.00 0.00 N ATOM 751 CA GLU A 63 -11.527 -3.791 -0.775 1.00 0.00 C ATOM 752 C GLU A 63 -11.037 -2.486 -0.181 1.00 0.00 C ATOM 753 O GLU A 63 -11.758 -1.486 -0.147 1.00 0.00 O ATOM 754 CB GLU A 63 -11.726 -3.657 -2.276 1.00 0.00 C ATOM 755 CG GLU A 63 -11.606 -4.977 -3.004 1.00 0.00 C ATOM 756 CD GLU A 63 -12.081 -4.896 -4.433 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.308 -4.846 -4.648 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.232 -4.885 -5.349 1.00 0.00 O ATOM 0 H GLU A 63 -13.462 -3.463 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.767 -4.549 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.709 -3.228 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.989 -2.959 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.566 -5.303 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.185 -5.734 -2.475 1.00 0.00 H new ATOM 765 N GLY A 64 -9.809 -2.511 0.284 1.00 0.00 N ATOM 766 CA GLY A 64 -9.206 -1.336 0.865 1.00 0.00 C ATOM 767 C GLY A 64 -8.035 -0.857 0.043 1.00 0.00 C ATOM 768 O GLY A 64 -7.525 -1.595 -0.803 1.00 0.00 O ATOM 0 H GLY A 64 -9.208 -3.335 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.949 -0.542 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.874 -1.559 1.879 1.00 0.00 H new ATOM 772 N TYR A 65 -7.607 0.369 0.278 1.00 0.00 N ATOM 773 CA TYR A 65 -6.504 0.936 -0.473 1.00 0.00 C ATOM 774 C TYR A 65 -5.698 1.893 0.397 1.00 0.00 C ATOM 775 O TYR A 65 -6.219 2.901 0.878 1.00 0.00 O ATOM 776 CB TYR A 65 -7.037 1.653 -1.715 1.00 0.00 C ATOM 777 CG TYR A 65 -5.960 2.243 -2.592 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.901 1.466 -3.043 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.005 3.576 -2.971 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.917 2.003 -3.847 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.027 4.120 -3.777 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.984 3.331 -4.212 1.00 0.00 C ATOM 783 OH TYR A 65 -3.008 3.873 -5.018 1.00 0.00 O ATOM 0 H TYR A 65 -8.006 0.990 0.982 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.841 0.130 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.626 0.949 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.712 2.449 -1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.847 0.425 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.819 4.198 -2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.099 1.387 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.078 5.159 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.206 4.819 -5.181 1.00 0.00 H new ATOM 793 N TRP A 66 -4.430 1.571 0.600 1.00 0.00 N ATOM 794 CA TRP A 66 -3.552 2.400 1.416 1.00 0.00 C ATOM 795 C TRP A 66 -2.340 2.825 0.607 1.00 0.00 C ATOM 796 O TRP A 66 -1.712 2.009 -0.067 1.00 0.00 O ATOM 797 CB TRP A 66 -3.096 1.673 2.693 1.00 0.00 C ATOM 798 CG TRP A 66 -4.185 1.458 3.704 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.414 2.204 4.824 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.183 0.426 3.700 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.493 1.709 5.511 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.984 0.618 4.842 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.479 -0.635 2.840 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.058 -0.214 5.146 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.546 -1.459 3.144 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.326 -1.244 4.287 1.00 0.00 C ATOM 0 H TRP A 66 -3.984 0.740 0.211 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.121 3.279 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.677 0.706 2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.294 2.247 3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.830 3.061 5.126 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.869 2.091 6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.885 -0.808 1.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.658 -0.052 6.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.783 -2.284 2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.155 -1.904 4.494 1.00 0.00 H new ATOM 817 N VAL A 67 -2.034 4.105 0.661 1.00 0.00 N ATOM 818 CA VAL A 67 -0.876 4.648 -0.021 1.00 0.00 C ATOM 819 C VAL A 67 0.265 4.856 0.964 1.00 0.00 C ATOM 820 O VAL A 67 0.136 5.623 1.917 1.00 0.00 O ATOM 821 CB VAL A 67 -1.208 5.990 -0.706 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.056 6.689 -1.161 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.142 5.782 -1.887 1.00 0.00 C ATOM 0 H VAL A 67 -2.578 4.796 1.177 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.576 3.931 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.712 6.621 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.203 7.633 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.695 6.883 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.587 6.055 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.360 6.743 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.666 5.126 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.070 5.327 -1.541 1.00 0.00 H new ATOM 833 N ILE A 68 1.364 4.158 0.750 1.00 0.00 N ATOM 834 CA ILE A 68 2.540 4.329 1.581 1.00 0.00 C ATOM 835 C ILE A 68 3.498 5.315 0.926 1.00 0.00 C ATOM 836 O ILE A 68 4.168 4.993 -0.061 1.00 0.00 O ATOM 837 CB ILE A 68 3.280 2.995 1.865 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.390 2.019 2.644 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.569 3.251 2.639 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.370 1.288 1.797 1.00 0.00 C ATOM 0 H ILE A 68 1.467 3.467 0.007 1.00 0.00 H new ATOM 0 HA ILE A 68 2.195 4.715 2.540 1.00 0.00 H new ATOM 0 HB ILE A 68 3.525 2.543 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.025 1.285 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.867 2.569 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.074 2.304 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.222 3.899 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.334 3.733 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.785 0.620 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.707 2.011 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.883 0.707 1.031 1.00 0.00 H new ATOM 852 N ASN A 69 3.538 6.522 1.467 1.00 0.00 N ATOM 853 CA ASN A 69 4.438 7.550 0.977 1.00 0.00 C ATOM 854 C ASN A 69 5.836 7.320 1.516 1.00 0.00 C ATOM 855 O ASN A 69 6.139 7.654 2.661 1.00 0.00 O ATOM 856 CB ASN A 69 3.965 8.947 1.387 1.00 0.00 C ATOM 857 CG ASN A 69 4.975 10.027 1.022 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.917 10.301 1.767 1.00 0.00 O ATOM 859 ND2 ASN A 69 4.782 10.658 -0.121 1.00 0.00 N ATOM 0 H ASN A 69 2.953 6.814 2.250 1.00 0.00 H new ATOM 0 HA ASN A 69 4.446 7.490 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.013 9.163 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.787 8.967 2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.423 11.397 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.992 10.407 -0.715 1.00 0.00 H new ATOM 866 N ALA A 70 6.680 6.729 0.702 1.00 0.00 N ATOM 867 CA ALA A 70 8.080 6.606 1.041 1.00 0.00 C ATOM 868 C ALA A 70 8.908 7.489 0.121 1.00 0.00 C ATOM 869 O ALA A 70 10.124 7.582 0.260 1.00 0.00 O ATOM 870 CB ALA A 70 8.520 5.158 0.955 1.00 0.00 C ATOM 0 H ALA A 70 6.422 6.326 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 70 8.233 6.938 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.576 5.083 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.933 4.557 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.368 4.791 -0.060 1.00 0.00 H new ATOM 876 N LYS A 71 8.227 8.156 -0.810 1.00 0.00 N ATOM 877 CA LYS A 71 8.885 9.046 -1.755 1.00 0.00 C ATOM 878 C LYS A 71 9.449 10.266 -1.032 1.00 0.00 C ATOM 879 O LYS A 71 10.540 10.739 -1.346 1.00 0.00 O ATOM 880 CB LYS A 71 7.895 9.471 -2.843 1.00 0.00 C ATOM 881 CG LYS A 71 8.513 10.284 -3.971 1.00 0.00 C ATOM 882 CD LYS A 71 9.569 9.494 -4.731 1.00 0.00 C ATOM 883 CE LYS A 71 8.961 8.358 -5.545 1.00 0.00 C ATOM 884 NZ LYS A 71 8.429 8.817 -6.857 1.00 0.00 N ATOM 0 H LYS A 71 7.216 8.094 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 71 9.714 8.517 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.433 8.579 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.098 10.056 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.731 10.600 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.962 11.189 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.114 10.164 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.293 9.087 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.717 7.590 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.157 7.895 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.214 7.992 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.561 9.370 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.139 9.411 -7.331 1.00 0.00 H new ATOM 898 N GLU A 72 8.706 10.757 -0.045 1.00 0.00 N ATOM 899 CA GLU A 72 9.169 11.873 0.774 1.00 0.00 C ATOM 900 C GLU A 72 10.048 11.364 1.910 1.00 0.00 C ATOM 901 O GLU A 72 10.571 12.143 2.706 1.00 0.00 O ATOM 902 CB GLU A 72 7.985 12.658 1.339 1.00 0.00 C ATOM 903 CG GLU A 72 7.138 13.331 0.275 1.00 0.00 C ATOM 904 CD GLU A 72 6.049 14.205 0.864 1.00 0.00 C ATOM 905 OE1 GLU A 72 6.336 15.376 1.201 1.00 0.00 O ATOM 906 OE2 GLU A 72 4.899 13.733 0.984 1.00 0.00 O ATOM 0 H GLU A 72 7.784 10.401 0.207 1.00 0.00 H new ATOM 0 HA GLU A 72 9.756 12.540 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.356 11.983 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.358 13.416 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.779 13.937 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.684 12.569 -0.359 1.00 0.00 H new ATOM 913 N GLY A 73 10.203 10.048 1.973 1.00 0.00 N ATOM 914 CA GLY A 73 11.047 9.438 2.981 1.00 0.00 C ATOM 915 C GLY A 73 10.370 9.348 4.329 1.00 0.00 C ATOM 916 O GLY A 73 11.034 9.233 5.360 1.00 0.00 O ATOM 0 H GLY A 73 9.755 9.387 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.332 8.438 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.966 10.016 3.078 1.00 0.00 H new ATOM 920 N LYS A 74 9.048 9.410 4.321 1.00 0.00 N ATOM 921 CA LYS A 74 8.278 9.352 5.555 1.00 0.00 C ATOM 922 C LYS A 74 7.924 7.912 5.913 1.00 0.00 C ATOM 923 O LYS A 74 7.914 7.535 7.085 1.00 0.00 O ATOM 924 CB LYS A 74 6.999 10.186 5.433 1.00 0.00 C ATOM 925 CG LYS A 74 7.242 11.651 5.086 1.00 0.00 C ATOM 926 CD LYS A 74 8.180 12.326 6.079 1.00 0.00 C ATOM 927 CE LYS A 74 7.649 12.251 7.502 1.00 0.00 C ATOM 928 NZ LYS A 74 8.590 12.857 8.479 1.00 0.00 N ATOM 0 H LYS A 74 8.485 9.500 3.475 1.00 0.00 H new ATOM 0 HA LYS A 74 8.897 9.766 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.361 9.743 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.452 10.133 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.665 11.721 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.290 12.182 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.160 11.852 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.317 13.370 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.688 12.763 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.471 11.209 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.190 12.785 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.499 12.353 8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.741 13.858 8.241 1.00 0.00 H new ATOM 942 N GLY A 75 7.626 7.123 4.886 1.00 0.00 N ATOM 943 CA GLY A 75 7.269 5.730 5.083 1.00 0.00 C ATOM 944 C GLY A 75 5.934 5.583 5.782 1.00 0.00 C ATOM 945 O GLY A 75 5.711 4.628 6.523 1.00 0.00 O ATOM 0 H GLY A 75 7.626 7.427 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.231 5.225 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.043 5.236 5.671 1.00 0.00 H new ATOM 949 N LYS A 76 5.039 6.529 5.526 1.00 0.00 N ATOM 950 CA LYS A 76 3.732 6.541 6.168 1.00 0.00 C ATOM 951 C LYS A 76 2.698 5.944 5.232 1.00 0.00 C ATOM 952 O LYS A 76 2.932 5.847 4.034 1.00 0.00 O ATOM 953 CB LYS A 76 3.313 7.972 6.515 1.00 0.00 C ATOM 954 CG LYS A 76 2.978 8.812 5.290 1.00 0.00 C ATOM 955 CD LYS A 76 2.327 10.140 5.651 1.00 0.00 C ATOM 956 CE LYS A 76 1.087 9.952 6.514 1.00 0.00 C ATOM 957 NZ LYS A 76 0.383 11.238 6.763 1.00 0.00 N ATOM 0 H LYS A 76 5.196 7.300 4.876 1.00 0.00 H new ATOM 0 HA LYS A 76 3.796 5.954 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.445 7.940 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.117 8.455 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.890 9.001 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.309 8.249 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.046 10.764 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.056 10.671 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.407 9.255 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.372 9.504 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.455 11.066 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.023 11.895 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.088 11.653 5.856 1.00 0.00 H new ATOM 971 N VAL A 77 1.549 5.565 5.768 1.00 0.00 N ATOM 972 CA VAL A 77 0.484 5.028 4.943 1.00 0.00 C ATOM 973 C VAL A 77 -0.784 5.842 5.161 1.00 0.00 C ATOM 974 O VAL A 77 -1.079 6.266 6.280 1.00 0.00 O ATOM 975 CB VAL A 77 0.224 3.515 5.207 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.414 2.872 5.905 1.00 0.00 C ATOM 977 CG2 VAL A 77 -1.049 3.272 6.007 1.00 0.00 C ATOM 0 H VAL A 77 1.333 5.619 6.763 1.00 0.00 H new ATOM 0 HA VAL A 77 0.797 5.106 3.902 1.00 0.00 H new ATOM 0 HB VAL A 77 0.089 3.049 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.207 1.816 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.300 2.970 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.588 3.369 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.182 2.201 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.973 3.772 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.904 3.668 5.459 1.00 0.00 H new ATOM 987 N THR A 78 -1.499 6.098 4.087 1.00 0.00 N ATOM 988 CA THR A 78 -2.735 6.849 4.156 1.00 0.00 C ATOM 989 C THR A 78 -3.810 6.176 3.311 1.00 0.00 C ATOM 990 O THR A 78 -3.552 5.738 2.187 1.00 0.00 O ATOM 991 CB THR A 78 -2.521 8.316 3.711 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.775 9.001 3.612 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.778 8.397 2.384 1.00 0.00 C ATOM 0 H THR A 78 -1.243 5.794 3.148 1.00 0.00 H new ATOM 0 HA THR A 78 -3.069 6.864 5.193 1.00 0.00 H new ATOM 0 HB THR A 78 -1.909 8.801 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.621 9.927 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.646 9.442 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.802 7.922 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.353 7.885 1.613 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.005 6.062 3.874 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.117 5.412 3.195 1.00 0.00 C ATOM 1003 C TYR A 79 -6.569 6.256 2.013 1.00 0.00 C ATOM 1004 O TYR A 79 -6.980 7.405 2.188 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.279 5.187 4.172 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.432 4.395 3.591 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.377 3.008 3.517 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.574 5.031 3.121 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.426 2.279 2.990 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.628 4.308 2.594 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.549 2.933 2.531 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.596 2.212 2.007 1.00 0.00 O ATOM 0 H TYR A 79 -5.230 6.414 4.805 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.787 4.441 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.903 4.667 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.650 6.155 4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.500 2.491 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.640 6.108 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.366 1.202 2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.509 4.818 2.233 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.309 2.825 1.731 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.480 5.676 0.817 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.791 6.381 -0.428 1.00 0.00 C ATOM 1024 C ASN A 80 -6.004 7.687 -0.491 1.00 0.00 C ATOM 1025 O ASN A 80 -6.566 8.775 -0.368 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.297 6.657 -0.534 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.741 6.969 -1.954 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.957 7.432 -2.784 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -10.011 6.730 -2.240 1.00 0.00 N ATOM 0 H ASN A 80 -6.191 4.707 0.683 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.503 5.751 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.847 5.790 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.555 7.494 0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.370 6.930 -3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.631 6.346 -1.527 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.694 7.562 -0.662 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.816 8.716 -0.598 1.00 0.00 C ATOM 1038 C GLY A 81 -4.013 9.699 -1.735 1.00 0.00 C ATOM 1039 O GLY A 81 -3.986 10.909 -1.523 1.00 0.00 O ATOM 0 H GLY A 81 -4.221 6.677 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.978 9.232 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.781 8.374 -0.601 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.208 9.186 -2.941 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.346 10.052 -4.098 1.00 0.00 C ATOM 1045 C GLY A 82 -3.028 10.224 -4.827 1.00 0.00 C ATOM 1046 O GLY A 82 -2.996 10.589 -6.005 1.00 0.00 O ATOM 0 H GLY A 82 -4.273 8.188 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.087 9.634 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.717 11.027 -3.781 1.00 0.00 H new ATOM 1050 N GLU A 83 -1.941 9.958 -4.112 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.603 9.980 -4.689 1.00 0.00 C ATOM 1052 C GLU A 83 -0.460 8.873 -5.714 1.00 0.00 C ATOM 1053 O GLU A 83 -1.021 7.793 -5.538 1.00 0.00 O ATOM 1054 CB GLU A 83 0.444 9.785 -3.591 1.00 0.00 C ATOM 1055 CG GLU A 83 0.472 10.906 -2.577 1.00 0.00 C ATOM 1056 CD GLU A 83 1.317 10.597 -1.361 1.00 0.00 C ATOM 1057 OE1 GLU A 83 2.555 10.727 -1.446 1.00 0.00 O ATOM 1058 OE2 GLU A 83 0.743 10.247 -0.310 1.00 0.00 O ATOM 0 H GLU A 83 -1.962 9.722 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.449 10.945 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.247 8.845 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.428 9.697 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.853 11.808 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.547 11.121 -2.256 1.00 0.00 H new ATOM 1065 N LYS A 84 0.264 9.144 -6.789 1.00 0.00 N ATOM 1066 CA LYS A 84 0.543 8.127 -7.782 1.00 0.00 C ATOM 1067 C LYS A 84 1.664 7.209 -7.299 1.00 0.00 C ATOM 1068 O LYS A 84 2.826 7.614 -7.195 1.00 0.00 O ATOM 1069 CB LYS A 84 0.883 8.765 -9.116 1.00 0.00 C ATOM 1070 CG LYS A 84 2.085 9.656 -9.083 1.00 0.00 C ATOM 1071 CD LYS A 84 2.256 10.315 -10.420 1.00 0.00 C ATOM 1072 CE LYS A 84 3.476 11.195 -10.455 1.00 0.00 C ATOM 1073 NZ LYS A 84 3.460 12.220 -9.381 1.00 0.00 N ATOM 0 H LYS A 84 0.667 10.059 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.350 7.519 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.049 7.977 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.025 9.344 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.970 10.411 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.974 9.076 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.335 9.552 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.372 10.910 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.369 10.579 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.538 11.689 -11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.204 12.924 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.533 12.692 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.632 11.763 -8.463 1.00 0.00 H new ATOM 1087 N PRO A 85 1.322 5.965 -6.953 1.00 0.00 N ATOM 1088 CA PRO A 85 2.292 4.988 -6.482 1.00 0.00 C ATOM 1089 C PRO A 85 3.200 4.507 -7.598 1.00 0.00 C ATOM 1090 O PRO A 85 2.733 4.108 -8.667 1.00 0.00 O ATOM 1091 CB PRO A 85 1.433 3.829 -5.961 1.00 0.00 C ATOM 1092 CG PRO A 85 0.038 4.350 -5.915 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.036 5.416 -6.963 1.00 0.00 C ATOM 0 HA PRO A 85 2.953 5.410 -5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.506 2.962 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.764 3.509 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.682 3.556 -6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.196 4.754 -4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.302 5.008 -7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.782 6.173 -6.720 1.00 0.00 H new ATOM 1101 N ASP A 86 4.501 4.560 -7.338 1.00 0.00 N ATOM 1102 CA ASP A 86 5.496 4.025 -8.261 1.00 0.00 C ATOM 1103 C ASP A 86 5.234 2.545 -8.474 1.00 0.00 C ATOM 1104 O ASP A 86 5.500 1.997 -9.544 1.00 0.00 O ATOM 1105 CB ASP A 86 6.912 4.221 -7.703 1.00 0.00 C ATOM 1106 CG ASP A 86 7.212 5.665 -7.353 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.744 6.131 -6.294 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.918 6.345 -8.127 1.00 0.00 O ATOM 0 H ASP A 86 4.894 4.970 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 86 5.421 4.557 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.036 3.603 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.638 3.872 -8.437 1.00 0.00 H new ATOM 1113 N VAL A 87 4.714 1.908 -7.431 1.00 0.00 N ATOM 1114 CA VAL A 87 4.319 0.512 -7.488 1.00 0.00 C ATOM 1115 C VAL A 87 3.024 0.286 -6.706 1.00 0.00 C ATOM 1116 O VAL A 87 2.893 0.711 -5.558 1.00 0.00 O ATOM 1117 CB VAL A 87 5.424 -0.425 -6.949 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.502 -0.635 -7.991 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.044 0.113 -5.673 1.00 0.00 C ATOM 0 H VAL A 87 4.556 2.347 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 87 4.155 0.270 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 87 4.952 -1.381 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.270 -1.297 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.064 -1.084 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.949 0.325 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.816 -0.574 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.488 1.089 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.274 0.210 -4.907 1.00 0.00 H new ATOM 1129 N THR A 88 2.060 -0.355 -7.348 1.00 0.00 N ATOM 1130 CA THR A 88 0.791 -0.678 -6.710 1.00 0.00 C ATOM 1131 C THR A 88 0.603 -2.189 -6.666 1.00 0.00 C ATOM 1132 O THR A 88 0.620 -2.836 -7.706 1.00 0.00 O ATOM 1133 CB THR A 88 -0.392 -0.043 -7.473 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.172 1.367 -7.624 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.710 -0.282 -6.747 1.00 0.00 C ATOM 0 H THR A 88 2.132 -0.664 -8.317 1.00 0.00 H new ATOM 0 HA THR A 88 0.811 -0.275 -5.697 1.00 0.00 H new ATOM 0 HB THR A 88 -0.454 -0.513 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.924 1.765 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.523 0.177 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.888 -1.354 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.662 0.160 -5.752 1.00 0.00 H new ATOM 1143 N PHE A 89 0.435 -2.748 -5.473 1.00 0.00 N ATOM 1144 CA PHE A 89 0.273 -4.188 -5.325 1.00 0.00 C ATOM 1145 C PHE A 89 -1.173 -4.518 -4.996 1.00 0.00 C ATOM 1146 O PHE A 89 -1.774 -3.897 -4.120 1.00 0.00 O ATOM 1147 CB PHE A 89 1.170 -4.754 -4.210 1.00 0.00 C ATOM 1148 CG PHE A 89 2.570 -4.208 -4.187 1.00 0.00 C ATOM 1149 CD1 PHE A 89 2.846 -2.984 -3.595 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.613 -4.925 -4.743 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.134 -2.488 -3.567 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.902 -4.434 -4.721 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.164 -3.213 -4.132 1.00 0.00 C ATOM 0 H PHE A 89 0.408 -2.227 -4.597 1.00 0.00 H new ATOM 0 HA PHE A 89 0.564 -4.643 -6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.700 -4.551 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.220 -5.837 -4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.044 -2.413 -3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.416 -5.883 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.336 -1.534 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.705 -5.004 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.172 -2.826 -4.113 1.00 0.00 H new ATOM 1163 N THR A 90 -1.729 -5.480 -5.708 1.00 0.00 N ATOM 1164 CA THR A 90 -3.052 -5.985 -5.396 1.00 0.00 C ATOM 1165 C THR A 90 -2.914 -7.334 -4.701 1.00 0.00 C ATOM 1166 O THR A 90 -2.228 -8.221 -5.206 1.00 0.00 O ATOM 1167 CB THR A 90 -3.905 -6.143 -6.667 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.739 -4.996 -7.515 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.376 -6.298 -6.316 1.00 0.00 C ATOM 0 H THR A 90 -1.283 -5.928 -6.508 1.00 0.00 H new ATOM 0 HA THR A 90 -3.553 -5.271 -4.743 1.00 0.00 H new ATOM 0 HB THR A 90 -3.571 -7.039 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.855 -5.026 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.959 -6.408 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.510 -7.182 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.716 -5.416 -5.773 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.543 -7.472 -3.542 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.405 -8.667 -2.720 1.00 0.00 C ATOM 1179 C ILE A 91 -4.556 -8.747 -1.721 1.00 0.00 C ATOM 1180 O ILE A 91 -5.173 -7.738 -1.390 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.032 -8.660 -2.002 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.175 -9.820 -2.506 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.178 -8.724 -0.490 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.656 -11.178 -2.040 1.00 0.00 C ATOM 0 H ILE A 91 -4.160 -6.763 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.448 -9.552 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.539 -7.717 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.161 -9.803 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.148 -9.674 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.191 -8.717 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.747 -7.862 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.701 -9.639 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.999 -11.952 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.643 -11.214 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.672 -11.346 -2.397 1.00 0.00 H new ATOM 1196 N SER A 92 -4.848 -9.953 -1.271 1.00 0.00 N ATOM 1197 CA SER A 92 -5.969 -10.193 -0.386 1.00 0.00 C ATOM 1198 C SER A 92 -5.591 -9.955 1.072 1.00 0.00 C ATOM 1199 O SER A 92 -4.466 -10.223 1.493 1.00 0.00 O ATOM 1200 CB SER A 92 -6.442 -11.625 -0.579 1.00 0.00 C ATOM 1201 OG SER A 92 -6.665 -11.889 -1.952 1.00 0.00 O ATOM 0 H SER A 92 -4.316 -10.790 -1.508 1.00 0.00 H new ATOM 0 HA SER A 92 -6.769 -9.495 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.698 -12.317 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.361 -11.791 -0.016 1.00 0.00 H new ATOM 0 HG SER A 92 -7.537 -11.528 -2.217 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.569 -9.452 1.821 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.446 -9.176 3.254 1.00 0.00 C ATOM 1209 C ASP A 93 -5.910 -10.380 4.016 1.00 0.00 C ATOM 1210 O ASP A 93 -5.199 -10.240 5.011 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.825 -8.785 3.801 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.868 -8.671 5.313 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.350 -7.678 5.853 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.447 -9.573 5.963 1.00 0.00 O ATOM 0 H ASP A 93 -7.488 -9.220 1.444 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.736 -8.360 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.123 -7.832 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.557 -9.526 3.480 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.255 -11.561 3.533 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.843 -12.804 4.165 1.00 0.00 C ATOM 1221 C GLU A 94 -4.365 -13.079 3.916 1.00 0.00 C ATOM 1222 O GLU A 94 -3.663 -13.601 4.779 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.670 -13.966 3.621 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.086 -13.584 3.224 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.940 -14.797 2.950 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.813 -15.380 1.852 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.727 -15.184 3.838 1.00 0.00 O ATOM 0 H GLU A 94 -6.825 -11.686 2.697 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.006 -12.706 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.161 -14.386 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.714 -14.751 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.539 -12.993 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.056 -12.953 2.336 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.901 -12.709 2.731 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.550 -13.042 2.297 1.00 0.00 C ATOM 1236 C ASP A 95 -1.554 -11.954 2.683 1.00 0.00 C ATOM 1237 O ASP A 95 -0.355 -12.213 2.788 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.519 -13.256 0.780 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.425 -14.385 0.324 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -2.979 -15.551 0.308 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.593 -14.111 -0.030 1.00 0.00 O ATOM 0 H ASP A 95 -4.442 -12.176 2.050 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.259 -13.963 2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.818 -12.334 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.496 -13.469 0.469 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.054 -10.737 2.898 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.195 -9.602 3.235 1.00 0.00 C ATOM 1248 C VAL A 96 -0.382 -9.903 4.493 1.00 0.00 C ATOM 1249 O VAL A 96 0.763 -9.476 4.626 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.019 -8.299 3.458 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.080 -7.919 4.934 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.457 -7.139 2.648 1.00 0.00 C ATOM 0 H VAL A 96 -3.047 -10.512 2.845 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.525 -9.445 2.390 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.032 -8.505 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.663 -7.005 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.551 -8.724 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.070 -7.755 5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.056 -6.246 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.426 -6.951 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.486 -7.388 1.587 1.00 0.00 H new ATOM 1262 N VAL A 97 -0.980 -10.669 5.398 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.412 -10.878 6.717 1.00 0.00 C ATOM 1264 C VAL A 97 0.869 -11.690 6.642 1.00 0.00 C ATOM 1265 O VAL A 97 1.742 -11.551 7.492 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.419 -11.558 7.670 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.757 -10.848 7.600 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.580 -13.037 7.349 1.00 0.00 C ATOM 0 H VAL A 97 -1.862 -11.156 5.238 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.175 -9.894 7.121 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.029 -11.485 8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.462 -11.333 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.632 -9.806 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.140 -10.894 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.296 -13.483 8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.942 -13.150 6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.617 -13.538 7.450 1.00 0.00 H new ATOM 1278 N ASP A 98 0.981 -12.528 5.620 1.00 0.00 N ATOM 1279 CA ASP A 98 2.184 -13.311 5.421 1.00 0.00 C ATOM 1280 C ASP A 98 3.190 -12.502 4.623 1.00 0.00 C ATOM 1281 O ASP A 98 4.395 -12.654 4.789 1.00 0.00 O ATOM 1282 CB ASP A 98 1.886 -14.625 4.696 1.00 0.00 C ATOM 1283 CG ASP A 98 0.934 -15.526 5.454 1.00 0.00 C ATOM 1284 OD1 ASP A 98 1.392 -16.269 6.349 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.272 -15.517 5.145 1.00 0.00 O ATOM 0 H ASP A 98 0.254 -12.680 4.921 1.00 0.00 H new ATOM 0 HA ASP A 98 2.595 -13.555 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.463 -14.403 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.821 -15.158 4.526 1.00 0.00 H new ATOM 1290 N LEU A 99 2.688 -11.627 3.766 1.00 0.00 N ATOM 1291 CA LEU A 99 3.555 -10.782 2.950 1.00 0.00 C ATOM 1292 C LEU A 99 4.298 -9.781 3.820 1.00 0.00 C ATOM 1293 O LEU A 99 5.507 -9.598 3.690 1.00 0.00 O ATOM 1294 CB LEU A 99 2.741 -10.036 1.889 1.00 0.00 C ATOM 1295 CG LEU A 99 2.225 -10.889 0.731 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.261 -10.092 -0.121 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.375 -11.385 -0.127 1.00 0.00 C ATOM 0 H LEU A 99 1.690 -11.481 3.615 1.00 0.00 H new ATOM 0 HA LEU A 99 4.279 -11.427 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.888 -9.564 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.358 -9.236 1.480 1.00 0.00 H new ATOM 0 HG LEU A 99 1.705 -11.750 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.902 -10.713 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.416 -9.772 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.770 -9.216 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.984 -11.990 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.919 -10.533 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.049 -11.989 0.481 1.00 0.00 H new ATOM 1309 N ILE A 100 3.564 -9.152 4.724 1.00 0.00 N ATOM 1310 CA ILE A 100 4.120 -8.110 5.572 1.00 0.00 C ATOM 1311 C ILE A 100 4.990 -8.701 6.685 1.00 0.00 C ATOM 1312 O ILE A 100 5.884 -8.034 7.211 1.00 0.00 O ATOM 1313 CB ILE A 100 2.990 -7.239 6.166 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.081 -6.742 5.039 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.566 -6.067 6.951 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.006 -5.784 5.491 1.00 0.00 C ATOM 0 H ILE A 100 2.577 -9.346 4.890 1.00 0.00 H new ATOM 0 HA ILE A 100 4.759 -7.479 4.954 1.00 0.00 H new ATOM 0 HB ILE A 100 2.402 -7.844 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.694 -6.253 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.610 -7.601 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.752 -5.468 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.184 -6.444 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.174 -5.450 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.406 -5.479 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.367 -6.274 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.468 -4.905 5.941 1.00 0.00 H new ATOM 1328 N SER A 101 4.748 -9.960 7.024 1.00 0.00 N ATOM 1329 CA SER A 101 5.536 -10.634 8.046 1.00 0.00 C ATOM 1330 C SER A 101 6.803 -11.237 7.445 1.00 0.00 C ATOM 1331 O SER A 101 7.783 -11.474 8.149 1.00 0.00 O ATOM 1332 CB SER A 101 4.703 -11.724 8.722 1.00 0.00 C ATOM 1333 OG SER A 101 4.120 -12.582 7.761 1.00 0.00 O ATOM 0 H SER A 101 4.015 -10.534 6.608 1.00 0.00 H new ATOM 0 HA SER A 101 5.829 -9.897 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.333 -12.303 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.922 -11.266 9.329 1.00 0.00 H new ATOM 0 HG SER A 101 3.145 -12.482 7.782 1.00 0.00 H new ATOM 1339 N GLY A 102 6.778 -11.476 6.138 1.00 0.00 N ATOM 1340 CA GLY A 102 7.915 -12.084 5.470 1.00 0.00 C ATOM 1341 C GLY A 102 7.740 -13.578 5.303 1.00 0.00 C ATOM 1342 O GLY A 102 8.665 -14.286 4.897 1.00 0.00 O ATOM 0 H GLY A 102 5.990 -11.259 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.050 -11.623 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.821 -11.887 6.043 1.00 0.00 H new ATOM 1346 N LYS A 103 6.546 -14.053 5.620 1.00 0.00 N ATOM 1347 CA LYS A 103 6.214 -15.466 5.513 1.00 0.00 C ATOM 1348 C LYS A 103 5.878 -15.843 4.079 1.00 0.00 C ATOM 1349 O LYS A 103 6.265 -16.904 3.593 1.00 0.00 O ATOM 1350 CB LYS A 103 5.017 -15.776 6.406 1.00 0.00 C ATOM 1351 CG LYS A 103 5.344 -15.772 7.889 1.00 0.00 C ATOM 1352 CD LYS A 103 4.085 -15.859 8.732 1.00 0.00 C ATOM 1353 CE LYS A 103 4.403 -15.880 10.216 1.00 0.00 C ATOM 1354 NZ LYS A 103 3.172 -15.976 11.046 1.00 0.00 N ATOM 0 H LYS A 103 5.780 -13.471 5.959 1.00 0.00 H new ATOM 0 HA LYS A 103 7.081 -16.045 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.233 -15.044 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.615 -16.752 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.998 -16.612 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.890 -14.863 8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.439 -15.009 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.530 -16.759 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.056 -16.725 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.951 -14.976 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.432 -15.988 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.560 -15.157 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.662 -16.851 10.810 1.00 0.00 H new ATOM 1368 N LEU A 104 5.144 -14.974 3.411 1.00 0.00 N ATOM 1369 CA LEU A 104 4.731 -15.224 2.044 1.00 0.00 C ATOM 1370 C LEU A 104 5.577 -14.424 1.069 1.00 0.00 C ATOM 1371 O LEU A 104 5.644 -13.198 1.146 1.00 0.00 O ATOM 1372 CB LEU A 104 3.245 -14.888 1.896 1.00 0.00 C ATOM 1373 CG LEU A 104 2.666 -14.932 0.479 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.874 -16.295 -0.153 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.184 -14.582 0.502 1.00 0.00 C ATOM 0 H LEU A 104 4.821 -14.086 3.795 1.00 0.00 H new ATOM 0 HA LEU A 104 4.879 -16.278 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.677 -15.580 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.081 -13.889 2.300 1.00 0.00 H new ATOM 0 HG LEU A 104 3.194 -14.194 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.453 -16.298 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.941 -16.513 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.378 -17.055 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.786 -14.617 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.651 -15.299 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.053 -13.579 0.908 1.00 0.00 H new ATOM 1387 N ASN A 105 6.249 -15.135 0.175 1.00 0.00 N ATOM 1388 CA ASN A 105 7.016 -14.504 -0.884 1.00 0.00 C ATOM 1389 C ASN A 105 6.084 -13.846 -1.886 1.00 0.00 C ATOM 1390 O ASN A 105 5.212 -14.505 -2.452 1.00 0.00 O ATOM 1391 CB ASN A 105 7.894 -15.531 -1.610 1.00 0.00 C ATOM 1392 CG ASN A 105 9.231 -15.748 -0.931 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.378 -16.622 -0.078 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.221 -14.963 -1.322 1.00 0.00 N ATOM 0 H ASN A 105 6.277 -16.155 0.164 1.00 0.00 H new ATOM 0 HA ASN A 105 7.657 -13.749 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.362 -16.481 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.062 -15.198 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.149 -15.070 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.056 -14.250 -2.033 1.00 0.00 H new ATOM 1401 N PRO A 106 6.259 -12.540 -2.142 1.00 0.00 N ATOM 1402 CA PRO A 106 5.453 -11.838 -3.124 1.00 0.00 C ATOM 1403 C PRO A 106 5.807 -12.295 -4.531 1.00 0.00 C ATOM 1404 O PRO A 106 5.081 -12.035 -5.487 1.00 0.00 O ATOM 1405 CB PRO A 106 5.767 -10.358 -2.920 1.00 0.00 C ATOM 1406 CG PRO A 106 6.827 -10.275 -1.872 1.00 0.00 C ATOM 1407 CD PRO A 106 7.262 -11.673 -1.514 1.00 0.00 C ATOM 0 HA PRO A 106 4.388 -12.037 -3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.109 -9.905 -3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.875 -9.814 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.676 -9.697 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.447 -9.760 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.263 -11.886 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.290 -11.816 -0.434 1.00 0.00 H new ATOM 1415 N GLN A 107 6.936 -12.989 -4.634 1.00 0.00 N ATOM 1416 CA GLN A 107 7.339 -13.644 -5.860 1.00 0.00 C ATOM 1417 C GLN A 107 6.377 -14.771 -6.195 1.00 0.00 C ATOM 1418 O GLN A 107 5.752 -14.780 -7.253 1.00 0.00 O ATOM 1419 CB GLN A 107 8.743 -14.217 -5.717 1.00 0.00 C ATOM 1420 CG GLN A 107 9.851 -13.176 -5.691 1.00 0.00 C ATOM 1421 CD GLN A 107 9.908 -12.402 -4.389 1.00 0.00 C ATOM 1422 OE1 GLN A 107 9.579 -12.927 -3.320 1.00 0.00 O ATOM 1423 NE2 GLN A 107 10.309 -11.146 -4.468 1.00 0.00 N ATOM 0 H GLN A 107 7.594 -13.109 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 107 7.328 -12.904 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.791 -14.802 -4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.927 -14.904 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.809 -13.669 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.706 -12.478 -6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.572 -10.750 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.356 -10.572 -3.626 1.00 0.00 H new ATOM 1432 N LYS A 108 6.251 -15.719 -5.275 1.00 0.00 N ATOM 1433 CA LYS A 108 5.361 -16.848 -5.480 1.00 0.00 C ATOM 1434 C LYS A 108 3.921 -16.366 -5.501 1.00 0.00 C ATOM 1435 O LYS A 108 3.075 -16.929 -6.190 1.00 0.00 O ATOM 1436 CB LYS A 108 5.553 -17.910 -4.392 1.00 0.00 C ATOM 1437 CG LYS A 108 4.941 -17.549 -3.048 1.00 0.00 C ATOM 1438 CD LYS A 108 4.149 -18.704 -2.461 1.00 0.00 C ATOM 1439 CE LYS A 108 2.681 -18.662 -2.875 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.938 -19.846 -2.368 1.00 0.00 N ATOM 0 H LYS A 108 6.751 -15.727 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 108 5.601 -17.308 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.117 -18.848 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.620 -18.085 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.731 -17.260 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.289 -16.684 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.590 -19.647 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.220 -18.676 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.220 -17.751 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.609 -18.624 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.007 -19.895 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.476 -20.710 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.811 -19.762 -1.339 1.00 0.00 H new ATOM 1454 N ALA A 109 3.651 -15.307 -4.744 1.00 0.00 N ATOM 1455 CA ALA A 109 2.326 -14.714 -4.725 1.00 0.00 C ATOM 1456 C ALA A 109 2.017 -14.093 -6.079 1.00 0.00 C ATOM 1457 O ALA A 109 0.866 -14.063 -6.513 1.00 0.00 O ATOM 1458 CB ALA A 109 2.212 -13.675 -3.619 1.00 0.00 C ATOM 0 H ALA A 109 4.331 -14.846 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 109 1.597 -15.498 -4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.210 -13.245 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.398 -14.148 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.946 -12.886 -3.784 1.00 0.00 H new ATOM 1464 N PHE A 110 3.059 -13.607 -6.744 1.00 0.00 N ATOM 1465 CA PHE A 110 2.924 -13.042 -8.076 1.00 0.00 C ATOM 1466 C PHE A 110 2.523 -14.142 -9.051 1.00 0.00 C ATOM 1467 O PHE A 110 1.550 -14.015 -9.798 1.00 0.00 O ATOM 1468 CB PHE A 110 4.248 -12.404 -8.523 1.00 0.00 C ATOM 1469 CG PHE A 110 4.158 -11.590 -9.789 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.093 -12.205 -11.030 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.147 -10.206 -9.734 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.018 -11.457 -12.187 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.074 -9.453 -10.889 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.009 -10.078 -12.116 1.00 0.00 C ATOM 0 H PHE A 110 4.011 -13.594 -6.377 1.00 0.00 H new ATOM 0 HA PHE A 110 2.155 -12.269 -8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.617 -11.764 -7.721 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.986 -13.193 -8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.101 -13.283 -11.092 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.196 -9.710 -8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.966 -11.949 -13.147 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.068 -8.375 -10.831 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.951 -9.490 -13.020 1.00 0.00 H new ATOM 1484 N PHE A 111 3.281 -15.233 -9.010 1.00 0.00 N ATOM 1485 CA PHE A 111 3.063 -16.376 -9.886 1.00 0.00 C ATOM 1486 C PHE A 111 1.701 -17.022 -9.629 1.00 0.00 C ATOM 1487 O PHE A 111 1.054 -17.516 -10.552 1.00 0.00 O ATOM 1488 CB PHE A 111 4.179 -17.406 -9.677 1.00 0.00 C ATOM 1489 CG PHE A 111 4.102 -18.584 -10.608 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.543 -18.477 -11.917 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.588 -19.795 -10.175 1.00 0.00 C ATOM 1492 CE1 PHE A 111 4.472 -19.556 -12.777 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.513 -20.877 -11.030 1.00 0.00 C ATOM 1494 CZ PHE A 111 3.956 -20.758 -12.332 1.00 0.00 C ATOM 0 H PHE A 111 4.064 -15.348 -8.367 1.00 0.00 H new ATOM 0 HA PHE A 111 3.078 -16.024 -10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.143 -16.914 -9.808 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.141 -17.765 -8.648 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.947 -17.539 -12.269 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.242 -19.894 -9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.819 -19.460 -13.795 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.108 -21.815 -10.680 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.899 -21.603 -13.002 1.00 0.00 H new ATOM 1504 N GLN A 112 1.268 -17.008 -8.375 1.00 0.00 N ATOM 1505 CA GLN A 112 0.018 -17.645 -7.985 1.00 0.00 C ATOM 1506 C GLN A 112 -1.186 -16.726 -8.194 1.00 0.00 C ATOM 1507 O GLN A 112 -2.290 -17.019 -7.732 1.00 0.00 O ATOM 1508 CB GLN A 112 0.103 -18.101 -6.531 1.00 0.00 C ATOM 1509 CG GLN A 112 0.984 -19.318 -6.342 1.00 0.00 C ATOM 1510 CD GLN A 112 0.517 -20.197 -5.200 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.078 -19.720 -4.232 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.788 -21.488 -5.298 1.00 0.00 N ATOM 0 H GLN A 112 1.768 -16.560 -7.607 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.131 -18.513 -8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.487 -17.283 -5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.900 -18.325 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.997 -19.900 -7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.008 -18.996 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.283 -21.845 -6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.502 -22.127 -4.556 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.965 -15.619 -8.890 1.00 0.00 N ATOM 1522 CA GLY A 113 -2.053 -14.716 -9.237 1.00 0.00 C ATOM 1523 C GLY A 113 -2.603 -13.959 -8.043 1.00 0.00 C ATOM 1524 O GLY A 113 -3.685 -13.372 -8.109 1.00 0.00 O ATOM 0 H GLY A 113 -0.047 -15.326 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.701 -14.002 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.858 -15.287 -9.699 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.858 -13.969 -6.953 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.265 -13.281 -5.741 1.00 0.00 C ATOM 1530 C LYS A 114 -1.851 -11.828 -5.791 1.00 0.00 C ATOM 1531 O LYS A 114 -2.630 -10.939 -5.462 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.646 -13.951 -4.516 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.282 -15.280 -4.165 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.355 -15.130 -3.096 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.445 -14.140 -3.483 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.615 -14.254 -2.576 1.00 0.00 N ATOM 0 H LYS A 114 -0.961 -14.450 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.351 -13.336 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.582 -14.103 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.733 -13.279 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.720 -15.721 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.514 -15.969 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.807 -16.103 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.890 -14.805 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.049 -13.125 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.758 -14.322 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.143 -13.358 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.236 -15.021 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.287 -14.463 -1.611 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.622 -11.600 -6.210 1.00 0.00 N ATOM 1551 CA ILE A 115 -0.077 -10.262 -6.273 1.00 0.00 C ATOM 1552 C ILE A 115 -0.201 -9.715 -7.696 1.00 0.00 C ATOM 1553 O ILE A 115 0.220 -10.346 -8.670 1.00 0.00 O ATOM 1554 CB ILE A 115 1.390 -10.249 -5.763 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.600 -9.179 -4.702 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.370 -9.996 -6.870 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.961 -9.262 -4.073 1.00 0.00 C ATOM 0 H ILE A 115 0.021 -12.331 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.648 -9.605 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 115 1.565 -11.238 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.469 -8.194 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.838 -9.281 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.383 -9.996 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.279 -10.780 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.161 -9.029 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.063 -8.478 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.084 -10.236 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.725 -9.132 -4.840 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.868 -8.579 -7.815 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.959 -7.870 -9.082 1.00 0.00 C ATOM 1571 C LYS A 116 -0.370 -6.488 -8.891 1.00 0.00 C ATOM 1572 O LYS A 116 -1.020 -5.596 -8.346 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.412 -7.763 -9.558 1.00 0.00 C ATOM 1574 CG LYS A 116 -3.186 -9.071 -9.495 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.561 -10.144 -10.370 1.00 0.00 C ATOM 1576 CE LYS A 116 -2.641 -9.789 -11.844 1.00 0.00 C ATOM 1577 NZ LYS A 116 -2.140 -10.893 -12.702 1.00 0.00 N ATOM 0 H LYS A 116 -1.358 -8.125 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.407 -8.420 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.928 -7.019 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.420 -7.398 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.224 -9.421 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.215 -8.899 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.518 -10.282 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.067 -11.094 -10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.674 -9.562 -12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.058 -8.887 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.210 -10.615 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.147 -11.092 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.712 -11.746 -12.539 1.00 0.00 H new ATOM 1591 N ILE A 117 0.871 -6.324 -9.305 1.00 0.00 N ATOM 1592 CA ILE A 117 1.615 -5.119 -8.994 1.00 0.00 C ATOM 1593 C ILE A 117 2.274 -4.528 -10.235 1.00 0.00 C ATOM 1594 O ILE A 117 2.784 -5.250 -11.094 1.00 0.00 O ATOM 1595 CB ILE A 117 2.654 -5.388 -7.857 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.058 -4.865 -8.182 1.00 0.00 C ATOM 1597 CG2 ILE A 117 2.717 -6.862 -7.505 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.242 -3.401 -7.864 1.00 0.00 C ATOM 0 H ILE A 117 1.386 -7.010 -9.858 1.00 0.00 H new ATOM 0 HA ILE A 117 0.908 -4.374 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 117 2.296 -4.828 -6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.792 -5.445 -7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.262 -5.028 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.448 -7.016 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 117 1.737 -7.197 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.011 -7.434 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.258 -3.098 -8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.532 -2.811 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.070 -3.235 -6.801 1.00 0.00 H new ATOM 1610 N GLN A 118 2.224 -3.201 -10.318 1.00 0.00 N ATOM 1611 CA GLN A 118 2.885 -2.453 -11.375 1.00 0.00 C ATOM 1612 C GLN A 118 4.379 -2.407 -11.083 1.00 0.00 C ATOM 1613 O GLN A 118 4.874 -1.464 -10.468 1.00 0.00 O ATOM 1614 CB GLN A 118 2.297 -1.037 -11.442 1.00 0.00 C ATOM 1615 CG GLN A 118 2.925 -0.143 -12.501 1.00 0.00 C ATOM 1616 CD GLN A 118 2.359 1.265 -12.479 1.00 0.00 C ATOM 1617 OE1 GLN A 118 1.931 1.760 -11.436 1.00 0.00 O ATOM 1618 NE2 GLN A 118 2.357 1.923 -13.628 1.00 0.00 N ATOM 0 H GLN A 118 1.722 -2.616 -9.650 1.00 0.00 H new ATOM 0 HA GLN A 118 2.727 -2.936 -12.339 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.227 -1.110 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.414 -0.562 -10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.003 -0.101 -12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.763 -0.582 -13.486 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.720 1.478 -14.471 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.992 2.875 -13.670 1.00 0.00 H new ATOM 1627 N GLY A 119 5.082 -3.447 -11.506 1.00 0.00 N ATOM 1628 CA GLY A 119 6.465 -3.625 -11.120 1.00 0.00 C ATOM 1629 C GLY A 119 7.395 -2.617 -11.752 1.00 0.00 C ATOM 1630 O GLY A 119 7.670 -2.677 -12.950 1.00 0.00 O ATOM 0 H GLY A 119 4.714 -4.177 -12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 119 6.545 -3.553 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.786 -4.629 -11.397 1.00 0.00 H new ATOM 1634 N ASN A 120 7.864 -1.679 -10.947 1.00 0.00 N ATOM 1635 CA ASN A 120 8.866 -0.721 -11.387 1.00 0.00 C ATOM 1636 C ASN A 120 10.238 -1.372 -11.323 1.00 0.00 C ATOM 1637 O ASN A 120 10.695 -1.770 -10.249 1.00 0.00 O ATOM 1638 CB ASN A 120 8.842 0.533 -10.509 1.00 0.00 C ATOM 1639 CG ASN A 120 9.785 1.602 -11.017 1.00 0.00 C ATOM 1640 OD1 ASN A 120 10.967 1.610 -10.683 1.00 0.00 O ATOM 1641 ND2 ASN A 120 9.267 2.513 -11.824 1.00 0.00 N ATOM 0 H ASN A 120 7.565 -1.560 -9.979 1.00 0.00 H new ATOM 0 HA ASN A 120 8.645 -0.422 -12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.828 0.931 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.114 0.265 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.855 3.260 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.280 2.469 -12.076 1.00 0.00 H new ATOM 1648 N MET A 121 10.882 -1.470 -12.480 1.00 0.00 N ATOM 1649 CA MET A 121 12.120 -2.225 -12.637 1.00 0.00 C ATOM 1650 C MET A 121 13.223 -1.748 -11.698 1.00 0.00 C ATOM 1651 O MET A 121 14.011 -2.548 -11.210 1.00 0.00 O ATOM 1652 CB MET A 121 12.598 -2.132 -14.087 1.00 0.00 C ATOM 1653 CG MET A 121 13.849 -2.943 -14.371 1.00 0.00 C ATOM 1654 SD MET A 121 14.341 -2.880 -16.106 1.00 0.00 S ATOM 1655 CE MET A 121 14.747 -1.142 -16.286 1.00 0.00 C ATOM 0 H MET A 121 10.559 -1.026 -13.340 1.00 0.00 H new ATOM 0 HA MET A 121 11.903 -3.261 -12.376 1.00 0.00 H new ATOM 0 HB2 MET A 121 11.799 -2.471 -14.746 1.00 0.00 H new ATOM 0 HB3 MET A 121 12.790 -1.087 -14.330 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.666 -2.572 -13.752 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.678 -3.980 -14.084 1.00 0.00 H new ATOM 0 HE1 MET A 121 15.328 -0.996 -17.197 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.829 -0.558 -16.344 1.00 0.00 H new ATOM 0 HE3 MET A 121 15.332 -0.814 -15.427 1.00 0.00 H new ATOM 1665 N GLY A 122 13.286 -0.453 -11.449 1.00 0.00 N ATOM 1666 CA GLY A 122 14.348 0.074 -10.618 1.00 0.00 C ATOM 1667 C GLY A 122 13.981 0.122 -9.152 1.00 0.00 C ATOM 1668 O GLY A 122 14.766 -0.274 -8.289 1.00 0.00 O ATOM 0 H GLY A 122 12.627 0.240 -11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 122 15.240 -0.540 -10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.603 1.078 -10.956 1.00 0.00 H new ATOM 1672 N LEU A 123 12.780 0.589 -8.876 1.00 0.00 N ATOM 1673 CA LEU A 123 12.344 0.851 -7.516 1.00 0.00 C ATOM 1674 C LEU A 123 11.969 -0.438 -6.791 1.00 0.00 C ATOM 1675 O LEU A 123 12.417 -0.682 -5.670 1.00 0.00 O ATOM 1676 CB LEU A 123 11.159 1.817 -7.558 1.00 0.00 C ATOM 1677 CG LEU A 123 10.799 2.505 -6.243 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.286 3.903 -6.530 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.748 1.706 -5.486 1.00 0.00 C ATOM 0 H LEU A 123 12.078 0.798 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 123 13.166 1.300 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.372 2.587 -8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.284 1.270 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 123 11.692 2.565 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.028 4.396 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.059 4.477 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.401 3.843 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.507 2.215 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.848 1.619 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.135 0.711 -5.267 1.00 0.00 H new ATOM 1691 N ALA A 124 11.173 -1.278 -7.441 1.00 0.00 N ATOM 1692 CA ALA A 124 10.661 -2.477 -6.795 1.00 0.00 C ATOM 1693 C ALA A 124 11.751 -3.531 -6.629 1.00 0.00 C ATOM 1694 O ALA A 124 11.634 -4.421 -5.789 1.00 0.00 O ATOM 1695 CB ALA A 124 9.481 -3.044 -7.560 1.00 0.00 C ATOM 0 H ALA A 124 10.871 -1.152 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 124 10.319 -2.192 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.117 -3.940 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.684 -2.302 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.793 -3.299 -8.573 1.00 0.00 H new ATOM 1701 N MET A 125 12.822 -3.428 -7.418 1.00 0.00 N ATOM 1702 CA MET A 125 13.944 -4.354 -7.285 1.00 0.00 C ATOM 1703 C MET A 125 14.684 -4.129 -5.976 1.00 0.00 C ATOM 1704 O MET A 125 15.422 -4.995 -5.512 1.00 0.00 O ATOM 1705 CB MET A 125 14.918 -4.241 -8.459 1.00 0.00 C ATOM 1706 CG MET A 125 14.535 -5.104 -9.650 1.00 0.00 C ATOM 1707 SD MET A 125 15.821 -5.149 -10.913 1.00 0.00 S ATOM 1708 CE MET A 125 15.094 -6.279 -12.095 1.00 0.00 C ATOM 0 H MET A 125 12.935 -2.722 -8.146 1.00 0.00 H new ATOM 0 HA MET A 125 13.526 -5.361 -7.288 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.972 -3.200 -8.777 1.00 0.00 H new ATOM 0 HB3 MET A 125 15.915 -4.523 -8.122 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.330 -6.119 -9.308 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.613 -4.723 -10.089 1.00 0.00 H new ATOM 0 HE1 MET A 125 15.773 -6.410 -12.938 1.00 0.00 H new ATOM 0 HE2 MET A 125 14.919 -7.243 -11.617 1.00 0.00 H new ATOM 0 HE3 MET A 125 14.147 -5.873 -12.451 1.00 0.00 H new ATOM 1718 N LYS A 126 14.486 -2.967 -5.372 1.00 0.00 N ATOM 1719 CA LYS A 126 15.081 -2.703 -4.076 1.00 0.00 C ATOM 1720 C LYS A 126 14.262 -3.353 -2.972 1.00 0.00 C ATOM 1721 O LYS A 126 14.798 -3.711 -1.925 1.00 0.00 O ATOM 1722 CB LYS A 126 15.236 -1.202 -3.822 1.00 0.00 C ATOM 1723 CG LYS A 126 16.617 -0.660 -4.161 1.00 0.00 C ATOM 1724 CD LYS A 126 16.921 -0.752 -5.647 1.00 0.00 C ATOM 1725 CE LYS A 126 18.339 -0.295 -5.955 1.00 0.00 C ATOM 1726 NZ LYS A 126 18.583 1.106 -5.516 1.00 0.00 N ATOM 0 H LYS A 126 13.926 -2.204 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 126 16.079 -3.140 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 126 14.491 -0.665 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.023 -0.997 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.686 0.380 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 126 17.371 -1.215 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.788 -1.780 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 126 16.211 -0.140 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 126 19.049 -0.958 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.521 -0.376 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.495 1.434 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.822 1.719 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 18.603 1.146 -4.477 1.00 0.00 H new ATOM 1740 N LEU A 127 12.971 -3.525 -3.220 1.00 0.00 N ATOM 1741 CA LEU A 127 12.111 -4.245 -2.292 1.00 0.00 C ATOM 1742 C LEU A 127 12.567 -5.691 -2.206 1.00 0.00 C ATOM 1743 O LEU A 127 12.646 -6.277 -1.125 1.00 0.00 O ATOM 1744 CB LEU A 127 10.652 -4.200 -2.755 1.00 0.00 C ATOM 1745 CG LEU A 127 10.065 -2.804 -2.957 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.625 -2.904 -3.431 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.152 -2.000 -1.669 1.00 0.00 C ATOM 0 H LEU A 127 12.497 -3.177 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 127 12.179 -3.770 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.571 -4.748 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.041 -4.729 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 127 10.645 -2.287 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.218 -1.903 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.590 -3.446 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.033 -3.435 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.730 -1.008 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.593 -2.509 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.196 -1.906 -1.369 1.00 0.00 H new ATOM 1759 N THR A 128 12.894 -6.244 -3.363 1.00 0.00 N ATOM 1760 CA THR A 128 13.335 -7.621 -3.460 1.00 0.00 C ATOM 1761 C THR A 128 14.754 -7.757 -2.924 1.00 0.00 C ATOM 1762 O THR A 128 15.137 -8.794 -2.386 1.00 0.00 O ATOM 1763 CB THR A 128 13.279 -8.105 -4.920 1.00 0.00 C ATOM 1764 OG1 THR A 128 14.347 -7.531 -5.678 1.00 0.00 O ATOM 1765 CG2 THR A 128 11.963 -7.699 -5.555 1.00 0.00 C ATOM 0 H THR A 128 12.861 -5.752 -4.256 1.00 0.00 H new ATOM 0 HA THR A 128 12.666 -8.239 -2.861 1.00 0.00 H new ATOM 0 HB THR A 128 13.372 -9.191 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 128 14.517 -6.618 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 128 11.935 -8.047 -6.588 1.00 0.00 H new ATOM 0 HG22 THR A 128 11.138 -8.145 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 128 11.869 -6.613 -5.535 1.00 0.00 H new ATOM 1773 N ASP A 129 15.527 -6.690 -3.068 1.00 0.00 N ATOM 1774 CA ASP A 129 16.887 -6.659 -2.558 1.00 0.00 C ATOM 1775 C ASP A 129 16.879 -6.641 -1.038 1.00 0.00 C ATOM 1776 O ASP A 129 17.731 -7.247 -0.396 1.00 0.00 O ATOM 1777 CB ASP A 129 17.632 -5.437 -3.088 1.00 0.00 C ATOM 1778 CG ASP A 129 19.116 -5.507 -2.803 1.00 0.00 C ATOM 1779 OD1 ASP A 129 19.823 -6.267 -3.500 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.587 -4.800 -1.889 1.00 0.00 O ATOM 0 H ASP A 129 15.233 -5.833 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 129 17.401 -7.557 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.473 -5.355 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 129 17.218 -4.536 -2.635 1.00 0.00 H new ATOM 1785 N LEU A 130 15.901 -5.948 -0.470 1.00 0.00 N ATOM 1786 CA LEU A 130 15.742 -5.885 0.978 1.00 0.00 C ATOM 1787 C LEU A 130 15.388 -7.248 1.560 1.00 0.00 C ATOM 1788 O LEU A 130 15.979 -7.680 2.552 1.00 0.00 O ATOM 1789 CB LEU A 130 14.679 -4.867 1.363 1.00 0.00 C ATOM 1790 CG LEU A 130 15.078 -3.411 1.140 1.00 0.00 C ATOM 1791 CD1 LEU A 130 14.257 -2.525 2.040 1.00 0.00 C ATOM 1792 CD2 LEU A 130 16.562 -3.197 1.404 1.00 0.00 C ATOM 0 H LEU A 130 15.203 -5.419 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 130 16.699 -5.572 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 130 13.774 -5.073 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 130 14.429 -5.004 2.415 1.00 0.00 H new ATOM 0 HG LEU A 130 14.887 -3.155 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.540 -1.484 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 130 13.199 -2.652 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.437 -2.797 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.814 -2.150 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.790 -3.465 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 130 17.146 -3.823 0.729 1.00 0.00 H new ATOM 1804 N GLN A 131 14.440 -7.939 0.929 1.00 0.00 N ATOM 1805 CA GLN A 131 13.975 -9.226 1.439 1.00 0.00 C ATOM 1806 C GLN A 131 15.086 -10.275 1.382 1.00 0.00 C ATOM 1807 O GLN A 131 15.025 -11.284 2.081 1.00 0.00 O ATOM 1808 CB GLN A 131 12.734 -9.714 0.679 1.00 0.00 C ATOM 1809 CG GLN A 131 12.999 -10.075 -0.768 1.00 0.00 C ATOM 1810 CD GLN A 131 11.760 -10.567 -1.487 1.00 0.00 C ATOM 1811 OE1 GLN A 131 11.015 -9.788 -2.078 1.00 0.00 O ATOM 1812 NE2 GLN A 131 11.531 -11.870 -1.448 1.00 0.00 N ATOM 0 H GLN A 131 13.982 -7.632 0.071 1.00 0.00 H new ATOM 0 HA GLN A 131 13.695 -9.081 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 131 12.327 -10.586 1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.970 -8.937 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.393 -9.203 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.768 -10.846 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.172 -12.486 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.714 -12.258 -1.919 1.00 0.00 H new ATOM 1821 N ARG A 132 16.104 -10.021 0.560 1.00 0.00 N ATOM 1822 CA ARG A 132 17.269 -10.901 0.481 1.00 0.00 C ATOM 1823 C ARG A 132 17.891 -11.082 1.863 1.00 0.00 C ATOM 1824 O ARG A 132 18.189 -12.201 2.284 1.00 0.00 O ATOM 1825 CB ARG A 132 18.316 -10.328 -0.481 1.00 0.00 C ATOM 1826 CG ARG A 132 17.855 -10.237 -1.920 1.00 0.00 C ATOM 1827 CD ARG A 132 18.890 -9.546 -2.798 1.00 0.00 C ATOM 1828 NE ARG A 132 20.144 -10.289 -2.870 1.00 0.00 N ATOM 1829 CZ ARG A 132 21.283 -9.791 -3.353 1.00 0.00 C ATOM 1830 NH1 ARG A 132 21.357 -8.519 -3.734 1.00 0.00 N ATOM 1831 NH2 ARG A 132 22.360 -10.559 -3.427 1.00 0.00 N ATOM 0 H ARG A 132 16.145 -9.213 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 132 16.937 -11.869 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 132 18.601 -9.333 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 132 19.211 -10.948 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.661 -11.238 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.914 -9.690 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.486 -9.423 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 132 19.085 -8.547 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 132 20.150 -11.250 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 132 20.538 -7.915 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 132 22.232 -8.147 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 132 22.317 -11.529 -3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 132 23.232 -10.180 -3.796 1.00 0.00 H new ATOM 1845 N GLN A 133 18.072 -9.976 2.573 1.00 0.00 N ATOM 1846 CA GLN A 133 18.667 -10.020 3.901 1.00 0.00 C ATOM 1847 C GLN A 133 17.592 -10.187 4.969 1.00 0.00 C ATOM 1848 O GLN A 133 17.818 -10.837 5.986 1.00 0.00 O ATOM 1849 CB GLN A 133 19.496 -8.760 4.189 1.00 0.00 C ATOM 1850 CG GLN A 133 20.684 -8.566 3.251 1.00 0.00 C ATOM 1851 CD GLN A 133 20.285 -8.042 1.882 1.00 0.00 C ATOM 1852 OE1 GLN A 133 20.897 -8.386 0.871 1.00 0.00 O ATOM 1853 NE2 GLN A 133 19.283 -7.174 1.845 1.00 0.00 N ATOM 0 H GLN A 133 17.816 -9.042 2.253 1.00 0.00 H new ATOM 0 HA GLN A 133 19.334 -10.882 3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 133 18.846 -7.887 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 133 19.861 -8.805 5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 133 21.390 -7.872 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 133 21.204 -9.517 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 133 18.801 -6.915 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 133 18.994 -6.766 0.956 1.00 0.00 H new ATOM 1862 N ALA A 134 16.416 -9.614 4.722 1.00 0.00 N ATOM 1863 CA ALA A 134 15.318 -9.668 5.686 1.00 0.00 C ATOM 1864 C ALA A 134 14.812 -11.094 5.885 1.00 0.00 C ATOM 1865 O ALA A 134 14.420 -11.472 6.992 1.00 0.00 O ATOM 1866 CB ALA A 134 14.179 -8.762 5.246 1.00 0.00 C ATOM 0 H ALA A 134 16.199 -9.107 3.864 1.00 0.00 H new ATOM 0 HA ALA A 134 15.703 -9.315 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 134 13.370 -8.814 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 134 14.538 -7.735 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 134 13.812 -9.086 4.272 1.00 0.00 H new ATOM 1872 N ALA A 135 14.815 -11.884 4.818 1.00 0.00 N ATOM 1873 CA ALA A 135 14.396 -13.277 4.905 1.00 0.00 C ATOM 1874 C ALA A 135 15.568 -14.169 5.298 1.00 0.00 C ATOM 1875 O ALA A 135 15.403 -15.360 5.567 1.00 0.00 O ATOM 1876 CB ALA A 135 13.791 -13.743 3.589 1.00 0.00 C ATOM 0 H ALA A 135 15.102 -11.585 3.886 1.00 0.00 H new ATOM 0 HA ALA A 135 13.632 -13.352 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 135 13.486 -14.786 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.922 -13.129 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.531 -13.648 2.794 1.00 0.00 H new ATOM 1882 N GLY A 136 16.755 -13.567 5.322 1.00 0.00 N ATOM 1883 CA GLY A 136 17.953 -14.255 5.761 1.00 0.00 C ATOM 1884 C GLY A 136 18.325 -15.434 4.887 1.00 0.00 C ATOM 1885 O GLY A 136 18.760 -16.468 5.394 1.00 0.00 O ATOM 0 H GLY A 136 16.907 -12.599 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 136 18.783 -13.549 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 136 17.809 -14.602 6.784 1.00 0.00 H new ATOM 1889 N ARG A 137 18.163 -15.289 3.576 1.00 0.00 N ATOM 1890 CA ARG A 137 18.498 -16.370 2.657 1.00 0.00 C ATOM 1891 C ARG A 137 20.011 -16.575 2.609 1.00 0.00 C ATOM 1892 O ARG A 137 20.762 -15.673 2.223 1.00 0.00 O ATOM 1893 CB ARG A 137 17.918 -16.110 1.256 1.00 0.00 C ATOM 1894 CG ARG A 137 18.404 -14.831 0.590 1.00 0.00 C ATOM 1895 CD ARG A 137 17.683 -14.586 -0.727 1.00 0.00 C ATOM 1896 NE ARG A 137 17.855 -15.696 -1.665 1.00 0.00 N ATOM 1897 CZ ARG A 137 17.049 -15.931 -2.701 1.00 0.00 C ATOM 1898 NH1 ARG A 137 16.032 -15.122 -2.954 1.00 0.00 N ATOM 1899 NH2 ARG A 137 17.270 -16.973 -3.495 1.00 0.00 N ATOM 0 H ARG A 137 17.806 -14.444 3.130 1.00 0.00 H new ATOM 0 HA ARG A 137 18.044 -17.289 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 137 18.166 -16.954 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 137 16.831 -16.074 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 137 18.242 -13.986 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 137 19.478 -14.896 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 137 16.621 -14.436 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 137 18.058 -13.668 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 137 18.641 -16.330 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 137 15.862 -14.314 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 137 15.419 -15.307 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 137 18.057 -17.595 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 137 16.652 -17.151 -4.287 1.00 0.00 H new ATOM 1913 N ILE A 138 20.441 -17.764 3.029 1.00 0.00 N ATOM 1914 CA ILE A 138 21.858 -18.096 3.168 1.00 0.00 C ATOM 1915 C ILE A 138 22.478 -17.354 4.347 1.00 0.00 C ATOM 1916 O ILE A 138 22.754 -17.947 5.390 1.00 0.00 O ATOM 1917 CB ILE A 138 22.669 -17.804 1.879 1.00 0.00 C ATOM 1918 CG1 ILE A 138 22.260 -18.757 0.759 1.00 0.00 C ATOM 1919 CG2 ILE A 138 24.164 -17.906 2.134 1.00 0.00 C ATOM 1920 CD1 ILE A 138 22.481 -20.220 1.083 1.00 0.00 C ATOM 0 H ILE A 138 19.814 -18.527 3.283 1.00 0.00 H new ATOM 0 HA ILE A 138 21.905 -19.170 3.350 1.00 0.00 H new ATOM 0 HB ILE A 138 22.445 -16.783 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 138 21.206 -18.601 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 138 22.822 -18.506 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 138 24.706 -17.696 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 138 24.453 -17.183 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 138 24.407 -18.912 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 138 22.166 -20.832 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 138 23.539 -20.393 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 138 21.898 -20.490 1.963 1.00 0.00 H new ATOM 1932 N GLU A 139 22.690 -16.062 4.180 1.00 0.00 N ATOM 1933 CA GLU A 139 23.321 -15.266 5.207 1.00 0.00 C ATOM 1934 C GLU A 139 22.282 -14.465 5.984 1.00 0.00 C ATOM 1935 O GLU A 139 21.472 -13.735 5.403 1.00 0.00 O ATOM 1936 CB GLU A 139 24.390 -14.359 4.592 1.00 0.00 C ATOM 1937 CG GLU A 139 23.863 -13.358 3.576 1.00 0.00 C ATOM 1938 CD GLU A 139 24.940 -12.412 3.092 1.00 0.00 C ATOM 1939 OE1 GLU A 139 25.147 -11.363 3.739 1.00 0.00 O ATOM 1940 OE2 GLU A 139 25.595 -12.717 2.075 1.00 0.00 O ATOM 0 H GLU A 139 22.433 -15.544 3.340 1.00 0.00 H new ATOM 0 HA GLU A 139 23.814 -15.932 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 139 24.890 -13.815 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 139 25.144 -14.982 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 139 23.444 -13.894 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 139 23.051 -12.784 4.022 1.00 0.00 H new ATOM 1947 N SER A 140 22.293 -14.628 7.296 1.00 0.00 N ATOM 1948 CA SER A 140 21.357 -13.945 8.166 1.00 0.00 C ATOM 1949 C SER A 140 22.070 -13.536 9.452 1.00 0.00 C ATOM 1950 O SER A 140 21.705 -13.966 10.548 1.00 0.00 O ATOM 1951 CB SER A 140 20.165 -14.862 8.472 1.00 0.00 C ATOM 1952 OG SER A 140 19.113 -14.162 9.120 1.00 0.00 O ATOM 0 H SER A 140 22.950 -15.236 7.785 1.00 0.00 H new ATOM 0 HA SER A 140 20.981 -13.049 7.672 1.00 0.00 H new ATOM 0 HB2 SER A 140 19.794 -15.298 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 140 20.494 -15.688 9.103 1.00 0.00 H new ATOM 0 HG SER A 140 19.451 -13.753 9.944 1.00 0.00 H new ATOM 1958 N ILE A 141 23.103 -12.718 9.306 1.00 0.00 N ATOM 1959 CA ILE A 141 23.889 -12.270 10.444 1.00 0.00 C ATOM 1960 C ILE A 141 23.778 -10.757 10.625 1.00 0.00 C ATOM 1961 O ILE A 141 22.902 -10.319 11.399 1.00 0.00 O ATOM 1962 CB ILE A 141 25.375 -12.686 10.320 1.00 0.00 C ATOM 1963 CG1 ILE A 141 25.928 -12.364 8.927 1.00 0.00 C ATOM 1964 CG2 ILE A 141 25.532 -14.169 10.623 1.00 0.00 C ATOM 1965 CD1 ILE A 141 27.417 -12.604 8.797 1.00 0.00 C ATOM 1966 OXT ILE A 141 24.555 -10.009 9.993 1.00 0.00 O ATOM 0 H ILE A 141 23.416 -12.351 8.407 1.00 0.00 H new ATOM 0 HA ILE A 141 23.478 -12.760 11.327 1.00 0.00 H new ATOM 0 HB ILE A 141 25.949 -12.113 11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 141 25.405 -12.971 8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 141 25.714 -11.321 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 141 26.581 -14.450 10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 141 25.188 -14.371 11.637 1.00 0.00 H new ATOM 0 HG23 ILE A 141 24.939 -14.750 9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 141 27.739 -12.355 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 141 27.950 -11.977 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 141 27.636 -13.652 9.000 1.00 0.00 H new TER 1978 ILE A 141