USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 287 ALY H : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= -1.56 K(o=-2,f=0.59) USER MOD Set 1.2: A 107 TYR OH : rot -30:sc= -0.46 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 168:sc= 1.86 (180deg=1.36) USER MOD Set 2.2: A 65 TYR OH : rot 60:sc= 0.228 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -137:sc= 0.634 (180deg=-0.626) USER MOD Set 3.2: A 54 SER OG : rot 121:sc= 0.681 USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.645 K(o=-0.22,f=-3.5!) USER MOD Set 4.2: A 25 TYR OH : rot -25:sc= 0.427 USER MOD Set 5.1: A 10 CYS SG : rot -22:sc= -2.33! USER MOD Set 5.2: A 60 MET CE :methyl -156:sc= -2.74 (180deg=-0.998) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0611 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc=-0.000988 (180deg=-0.0563) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc=-5.3e-05 (180deg=-0.127) USER MOD Single : A 9 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.56) USER MOD Single : A 11 ASN : amide:sc= 0.402 X(o=0.4,f=-5.4e-05) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 27:sc= 0.855 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.0936 (180deg=-0.49) USER MOD Single : A 30 TYR OH : rot -140:sc= -0.449 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc=-0.00644 X(o=-0.0064,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.134) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 149:sc= -0.0871 (180deg=-0.6) USER MOD Single : A 55 THR OG1 : rot 132:sc= 1.18 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.161) USER MOD Single : A 62 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.068) USER MOD Single : A 78 MET CE :methyl 156:sc= -2.38 (180deg=-3.77!) USER MOD Single : A 80 SER OG : rot 69:sc= 1.2 USER MOD Single : A 81 ASN : amide:sc= -2.95! C(o=-2.9!,f=-2!) USER MOD Single : A 82 CYS SG : rot 55:sc= 0.244 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.02 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc=-0.00351 (180deg=-0.0684) USER MOD Single : A 85 TYR OH : rot 6:sc= -0.939 USER MOD Single : A 86 ASN : amide:sc= -0.746 K(o=-0.75,f=-2.6!) USER MOD Single : A 90 HIS : no HD1:sc= -0.754 K(o=-0.75,f=-4!) USER MOD Single : A 95 MET CE :methyl -109:sc= -0.475 (180deg=-3.23!) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0809 (180deg=-0.361) USER MOD Single : A 100 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.042) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0912) USER MOD Single : A 110 MET CE :methyl 157:sc= -1.72 (180deg=-3.38!) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 282 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.81) USER MOD Single : B 288 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 291 GLN : amide:sc= -3.15 X(o=-3.1,f=-3.3) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.498 7.876 -3.333 1.00 0.00 N ATOM 2 CA GLY A 1 26.003 7.329 -4.617 1.00 0.00 C ATOM 3 C GLY A 1 24.495 7.393 -4.720 1.00 0.00 C ATOM 4 O GLY A 1 23.848 8.144 -3.988 1.00 0.00 O ATOM 0 H1 GLY A 1 27.233 8.588 -3.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.710 8.318 -2.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.899 7.107 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.446 7.886 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.329 6.294 -4.719 1.00 0.00 H new ATOM 10 N LYS A 2 23.935 6.602 -5.624 1.00 0.00 N ATOM 11 CA LYS A 2 22.496 6.567 -5.825 1.00 0.00 C ATOM 12 C LYS A 2 21.857 5.506 -4.938 1.00 0.00 C ATOM 13 O LYS A 2 22.176 4.324 -5.070 1.00 0.00 O ATOM 14 CB LYS A 2 22.169 6.269 -7.288 1.00 0.00 C ATOM 15 CG LYS A 2 22.632 7.340 -8.263 1.00 0.00 C ATOM 16 CD LYS A 2 21.948 8.672 -8.008 1.00 0.00 C ATOM 17 CE LYS A 2 22.221 9.661 -9.129 1.00 0.00 C ATOM 18 NZ LYS A 2 23.673 9.916 -9.313 1.00 0.00 N ATOM 0 H LYS A 2 24.460 5.973 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 2 22.094 7.544 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.628 5.320 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.091 6.144 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.712 7.465 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.426 7.016 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.873 8.518 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.297 9.087 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.801 9.278 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.714 10.601 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 23.806 10.682 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.095 10.193 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.136 9.052 -9.660 1.00 0.00 H new ATOM 32 N LEU A 3 20.958 5.934 -4.047 1.00 0.00 N ATOM 33 CA LEU A 3 20.249 5.028 -3.138 1.00 0.00 C ATOM 34 C LEU A 3 21.199 4.383 -2.134 1.00 0.00 C ATOM 35 O LEU A 3 22.031 3.549 -2.491 1.00 0.00 O ATOM 36 CB LEU A 3 19.501 3.935 -3.912 1.00 0.00 C ATOM 37 CG LEU A 3 18.273 4.396 -4.699 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.812 3.294 -5.641 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.144 4.782 -3.753 1.00 0.00 C ATOM 0 H LEU A 3 20.702 6.915 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 3 19.525 5.633 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.199 3.466 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.188 3.166 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 3 18.547 5.273 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.937 3.632 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.614 3.053 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.554 2.406 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.279 5.107 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.870 3.921 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.474 5.595 -3.106 1.00 0.00 H new ATOM 51 N SER A 4 21.074 4.781 -0.879 1.00 0.00 N ATOM 52 CA SER A 4 21.825 4.156 0.196 1.00 0.00 C ATOM 53 C SER A 4 21.364 2.708 0.381 1.00 0.00 C ATOM 54 O SER A 4 20.330 2.323 -0.161 1.00 0.00 O ATOM 55 CB SER A 4 21.638 4.947 1.489 1.00 0.00 C ATOM 56 OG SER A 4 22.033 6.299 1.317 1.00 0.00 O ATOM 0 H SER A 4 20.458 5.536 -0.579 1.00 0.00 H new ATOM 0 HA SER A 4 22.884 4.153 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.593 4.906 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.224 4.491 2.287 1.00 0.00 H new ATOM 0 HG SER A 4 21.903 6.787 2.157 1.00 0.00 H new ATOM 62 N GLU A 5 22.116 1.916 1.143 1.00 0.00 N ATOM 63 CA GLU A 5 21.810 0.492 1.308 1.00 0.00 C ATOM 64 C GLU A 5 20.356 0.273 1.727 1.00 0.00 C ATOM 65 O GLU A 5 19.657 -0.576 1.169 1.00 0.00 O ATOM 66 CB GLU A 5 22.753 -0.141 2.332 1.00 0.00 C ATOM 67 CG GLU A 5 24.215 -0.085 1.921 1.00 0.00 C ATOM 68 CD GLU A 5 25.119 -0.850 2.862 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.100 -2.095 2.829 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.865 -0.209 3.632 1.00 0.00 O ATOM 0 H GLU A 5 22.939 2.233 1.655 1.00 0.00 H new ATOM 0 HA GLU A 5 21.956 0.010 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.632 0.367 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.466 -1.181 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.320 -0.490 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.537 0.956 1.881 1.00 0.00 H new ATOM 77 N GLN A 6 19.901 1.067 2.687 1.00 0.00 N ATOM 78 CA GLN A 6 18.529 0.982 3.183 1.00 0.00 C ATOM 79 C GLN A 6 17.535 1.275 2.059 1.00 0.00 C ATOM 80 O GLN A 6 16.528 0.584 1.909 1.00 0.00 O ATOM 81 CB GLN A 6 18.315 1.971 4.339 1.00 0.00 C ATOM 82 CG GLN A 6 18.972 1.578 5.665 1.00 0.00 C ATOM 83 CD GLN A 6 20.359 0.985 5.512 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.358 1.704 5.484 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.433 -0.333 5.418 1.00 0.00 N ATOM 0 H GLN A 6 20.466 1.784 3.143 1.00 0.00 H new ATOM 0 HA GLN A 6 18.360 -0.031 3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.698 2.946 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.244 2.086 4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.033 2.459 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.334 0.857 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.582 -0.895 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.341 -0.787 5.318 1.00 0.00 H new ATOM 94 N LEU A 7 17.842 2.284 1.253 1.00 0.00 N ATOM 95 CA LEU A 7 16.962 2.696 0.165 1.00 0.00 C ATOM 96 C LEU A 7 17.057 1.728 -1.013 1.00 0.00 C ATOM 97 O LEU A 7 16.145 1.621 -1.828 1.00 0.00 O ATOM 98 CB LEU A 7 17.302 4.117 -0.282 1.00 0.00 C ATOM 99 CG LEU A 7 17.061 5.189 0.775 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.631 6.519 0.314 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.576 5.319 1.081 1.00 0.00 C ATOM 0 H LEU A 7 18.697 2.834 1.332 1.00 0.00 H new ATOM 0 HA LEU A 7 15.936 2.680 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.350 4.149 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.711 4.357 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 7 17.571 4.892 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.452 7.276 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.703 6.417 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.147 6.820 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.426 6.089 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.040 5.594 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.196 4.367 1.452 1.00 0.00 H new ATOM 113 N LYS A 8 18.163 1.021 -1.102 1.00 0.00 N ATOM 114 CA LYS A 8 18.299 -0.022 -2.097 1.00 0.00 C ATOM 115 C LYS A 8 17.438 -1.206 -1.702 1.00 0.00 C ATOM 116 O LYS A 8 16.807 -1.842 -2.548 1.00 0.00 O ATOM 117 CB LYS A 8 19.761 -0.439 -2.238 1.00 0.00 C ATOM 118 CG LYS A 8 19.992 -1.565 -3.238 1.00 0.00 C ATOM 119 CD LYS A 8 19.523 -1.188 -4.636 1.00 0.00 C ATOM 120 CE LYS A 8 20.211 0.070 -5.144 1.00 0.00 C ATOM 121 NZ LYS A 8 21.694 -0.053 -5.119 1.00 0.00 N ATOM 0 H LYS A 8 18.977 1.148 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 8 17.965 0.355 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.348 0.428 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.135 -0.751 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.053 -1.814 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.464 -2.459 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.722 -2.013 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.444 -1.034 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.882 0.276 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.908 0.920 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.118 0.759 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.024 -0.071 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.977 -0.933 -5.595 1.00 0.00 H new ATOM 135 N HIS A 9 17.391 -1.482 -0.408 1.00 0.00 N ATOM 136 CA HIS A 9 16.561 -2.557 0.098 1.00 0.00 C ATOM 137 C HIS A 9 15.089 -2.190 -0.054 1.00 0.00 C ATOM 138 O HIS A 9 14.259 -3.052 -0.337 1.00 0.00 O ATOM 139 CB HIS A 9 16.890 -2.862 1.563 1.00 0.00 C ATOM 140 CG HIS A 9 16.629 -4.291 1.942 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.574 -5.094 2.537 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.526 -5.061 1.797 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.066 -6.296 2.737 1.00 0.00 C ATOM 144 NE2 HIS A 9 15.823 -6.301 2.300 1.00 0.00 N ATOM 0 H HIS A 9 17.916 -0.977 0.306 1.00 0.00 H new ATOM 0 HA HIS A 9 16.765 -3.456 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.938 -2.629 1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.299 -2.209 2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.585 -4.755 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.582 -7.133 3.183 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.186 -7.097 2.331 1.00 0.00 H new ATOM 153 N CYS A 10 14.764 -0.907 0.111 1.00 0.00 N ATOM 154 CA CYS A 10 13.384 -0.464 -0.044 1.00 0.00 C ATOM 155 C CYS A 10 12.966 -0.550 -1.505 1.00 0.00 C ATOM 156 O CYS A 10 11.797 -0.786 -1.813 1.00 0.00 O ATOM 157 CB CYS A 10 13.175 0.962 0.499 1.00 0.00 C ATOM 158 SG CYS A 10 13.784 2.301 -0.546 1.00 0.00 S ATOM 0 H CYS A 10 15.427 -0.169 0.348 1.00 0.00 H new ATOM 0 HA CYS A 10 12.753 -1.129 0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.109 1.114 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.663 1.035 1.471 1.00 0.00 H new ATOM 0 HG CYS A 10 14.692 1.841 -1.355 1.00 0.00 H new ATOM 164 N ASN A 11 13.936 -0.390 -2.401 1.00 0.00 N ATOM 165 CA ASN A 11 13.681 -0.487 -3.829 1.00 0.00 C ATOM 166 C ASN A 11 13.300 -1.917 -4.196 1.00 0.00 C ATOM 167 O ASN A 11 12.386 -2.146 -4.990 1.00 0.00 O ATOM 168 CB ASN A 11 14.922 -0.051 -4.615 1.00 0.00 C ATOM 169 CG ASN A 11 14.695 -0.036 -6.115 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.949 -1.021 -6.804 1.00 0.00 O ATOM 171 ND2 ASN A 11 14.219 1.085 -6.630 1.00 0.00 N ATOM 0 H ASN A 11 14.907 -0.192 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 11 12.853 0.173 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.222 0.945 -4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.747 -0.724 -4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.050 1.154 -7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.021 1.881 -6.024 1.00 0.00 H new ATOM 178 N GLY A 12 13.989 -2.872 -3.584 1.00 0.00 N ATOM 179 CA GLY A 12 13.737 -4.274 -3.868 1.00 0.00 C ATOM 180 C GLY A 12 12.425 -4.761 -3.283 1.00 0.00 C ATOM 181 O GLY A 12 11.696 -5.518 -3.924 1.00 0.00 O ATOM 0 H GLY A 12 14.720 -2.701 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.728 -4.426 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.554 -4.874 -3.468 1.00 0.00 H new ATOM 185 N ILE A 13 12.126 -4.327 -2.064 1.00 0.00 N ATOM 186 CA ILE A 13 10.881 -4.697 -1.394 1.00 0.00 C ATOM 187 C ILE A 13 9.676 -4.207 -2.186 1.00 0.00 C ATOM 188 O ILE A 13 8.756 -4.976 -2.477 1.00 0.00 O ATOM 189 CB ILE A 13 10.834 -4.116 0.035 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.930 -4.748 0.898 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.462 -4.304 0.664 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.037 -4.160 2.285 1.00 0.00 C ATOM 0 H ILE A 13 12.731 -3.715 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 13 10.846 -5.785 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 13 11.017 -3.043 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.740 -5.818 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.888 -4.633 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.462 -3.884 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.711 -3.796 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.228 -5.367 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.835 -4.661 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.259 -3.095 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.093 -4.298 2.813 1.00 0.00 H new ATOM 204 N LEU A 14 9.700 -2.926 -2.537 1.00 0.00 N ATOM 205 CA LEU A 14 8.646 -2.322 -3.329 1.00 0.00 C ATOM 206 C LEU A 14 8.448 -3.095 -4.625 1.00 0.00 C ATOM 207 O LEU A 14 7.326 -3.418 -5.008 1.00 0.00 O ATOM 208 CB LEU A 14 9.019 -0.878 -3.647 1.00 0.00 C ATOM 209 CG LEU A 14 7.854 0.088 -3.703 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.381 1.501 -3.711 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.999 -0.152 -4.930 1.00 0.00 C ATOM 0 H LEU A 14 10.449 -2.283 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 14 7.716 -2.347 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.726 -0.527 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.536 -0.855 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 14 7.229 -0.071 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.546 2.201 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.960 1.679 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.019 1.647 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.171 0.557 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.604 -0.018 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.606 -1.168 -4.906 1.00 0.00 H new ATOM 223 N LYS A 15 9.560 -3.397 -5.279 1.00 0.00 N ATOM 224 CA LYS A 15 9.565 -4.112 -6.528 1.00 0.00 C ATOM 225 C LYS A 15 8.873 -5.463 -6.395 1.00 0.00 C ATOM 226 O LYS A 15 8.115 -5.876 -7.272 1.00 0.00 O ATOM 227 CB LYS A 15 11.015 -4.288 -6.964 1.00 0.00 C ATOM 228 CG LYS A 15 11.227 -5.463 -7.874 1.00 0.00 C ATOM 229 CD LYS A 15 10.742 -5.185 -9.282 1.00 0.00 C ATOM 230 CE LYS A 15 11.330 -6.185 -10.251 1.00 0.00 C ATOM 231 NZ LYS A 15 10.674 -6.127 -11.582 1.00 0.00 N ATOM 0 H LYS A 15 10.491 -3.145 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 15 9.012 -3.546 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.347 -3.382 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.641 -4.406 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.287 -5.716 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.702 -6.331 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.654 -5.235 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.024 -4.174 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.397 -5.994 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.228 -7.190 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.109 -6.829 -12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.660 -6.335 -11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.793 -5.176 -11.987 1.00 0.00 H new ATOM 245 N GLU A 16 9.128 -6.136 -5.289 1.00 0.00 N ATOM 246 CA GLU A 16 8.583 -7.476 -5.072 1.00 0.00 C ATOM 247 C GLU A 16 7.072 -7.412 -4.893 1.00 0.00 C ATOM 248 O GLU A 16 6.336 -8.223 -5.457 1.00 0.00 O ATOM 249 CB GLU A 16 9.215 -8.174 -3.850 1.00 0.00 C ATOM 250 CG GLU A 16 8.671 -9.587 -3.603 1.00 0.00 C ATOM 251 CD GLU A 16 8.859 -10.087 -2.188 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.652 -9.499 -1.434 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.219 -11.106 -1.835 1.00 0.00 O ATOM 0 H GLU A 16 9.706 -5.784 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 16 8.827 -8.064 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.295 -8.228 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.039 -7.565 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.608 -9.602 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.162 -10.278 -4.288 1.00 0.00 H new ATOM 260 N LEU A 17 6.618 -6.445 -4.111 1.00 0.00 N ATOM 261 CA LEU A 17 5.187 -6.231 -3.904 1.00 0.00 C ATOM 262 C LEU A 17 4.526 -5.845 -5.233 1.00 0.00 C ATOM 263 O LEU A 17 3.333 -6.064 -5.435 1.00 0.00 O ATOM 264 CB LEU A 17 4.965 -5.140 -2.843 1.00 0.00 C ATOM 265 CG LEU A 17 5.581 -5.416 -1.467 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.737 -4.117 -0.702 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.720 -6.383 -0.664 1.00 0.00 C ATOM 0 H LEU A 17 7.218 -5.793 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 17 4.730 -7.153 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.372 -4.203 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.892 -4.994 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 17 6.559 -5.872 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.175 -4.321 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.388 -3.443 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.760 -3.652 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.181 -6.560 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.728 -5.955 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.634 -7.327 -1.203 1.00 0.00 H new ATOM 279 N LEU A 18 5.331 -5.300 -6.144 1.00 0.00 N ATOM 280 CA LEU A 18 4.863 -4.903 -7.473 1.00 0.00 C ATOM 281 C LEU A 18 5.016 -6.025 -8.495 1.00 0.00 C ATOM 282 O LEU A 18 4.546 -5.915 -9.629 1.00 0.00 O ATOM 283 CB LEU A 18 5.651 -3.703 -7.974 1.00 0.00 C ATOM 284 CG LEU A 18 5.383 -2.394 -7.252 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.256 -1.304 -7.837 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.917 -2.010 -7.340 1.00 0.00 C ATOM 0 H LEU A 18 6.322 -5.121 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 18 3.806 -4.658 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.714 -3.930 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.433 -3.564 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 18 5.627 -2.521 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.063 -0.365 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.305 -1.575 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.030 -1.186 -8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.755 -1.069 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.633 -1.895 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.308 -2.790 -6.883 1.00 0.00 H new ATOM 298 N SER A 19 5.721 -7.072 -8.117 1.00 0.00 N ATOM 299 CA SER A 19 5.933 -8.207 -9.004 1.00 0.00 C ATOM 300 C SER A 19 4.645 -9.011 -9.163 1.00 0.00 C ATOM 301 O SER A 19 3.845 -9.123 -8.226 1.00 0.00 O ATOM 302 CB SER A 19 7.053 -9.093 -8.458 1.00 0.00 C ATOM 303 OG SER A 19 8.250 -8.350 -8.284 1.00 0.00 O ATOM 0 H SER A 19 6.159 -7.164 -7.201 1.00 0.00 H new ATOM 0 HA SER A 19 6.225 -7.835 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.748 -9.526 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.232 -9.922 -9.142 1.00 0.00 H new ATOM 0 HG SER A 19 8.030 -7.408 -8.125 1.00 0.00 H new ATOM 309 N LYS A 20 4.469 -9.583 -10.359 1.00 0.00 N ATOM 310 CA LYS A 20 3.254 -10.318 -10.715 1.00 0.00 C ATOM 311 C LYS A 20 3.006 -11.487 -9.774 1.00 0.00 C ATOM 312 O LYS A 20 1.894 -12.006 -9.695 1.00 0.00 O ATOM 313 CB LYS A 20 3.331 -10.809 -12.157 1.00 0.00 C ATOM 314 CG LYS A 20 3.178 -9.685 -13.165 1.00 0.00 C ATOM 315 CD LYS A 20 1.747 -9.171 -13.217 1.00 0.00 C ATOM 316 CE LYS A 20 1.584 -8.070 -14.253 1.00 0.00 C ATOM 317 NZ LYS A 20 0.200 -7.528 -14.275 1.00 0.00 N ATOM 0 H LYS A 20 5.164 -9.549 -11.105 1.00 0.00 H new ATOM 0 HA LYS A 20 2.415 -9.630 -10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.287 -11.308 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.552 -11.552 -12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.850 -8.867 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.475 -10.038 -14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.072 -9.995 -13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.460 -8.793 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.286 -7.264 -14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.837 -8.460 -15.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.131 -6.780 -14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.468 -8.291 -14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.033 -7.133 -13.342 1.00 0.00 H new ATOM 331 N LYS A 21 4.057 -11.893 -9.074 1.00 0.00 N ATOM 332 CA LYS A 21 3.964 -12.909 -8.036 1.00 0.00 C ATOM 333 C LYS A 21 2.924 -12.527 -6.985 1.00 0.00 C ATOM 334 O LYS A 21 2.156 -13.366 -6.518 1.00 0.00 O ATOM 335 CB LYS A 21 5.329 -13.077 -7.366 1.00 0.00 C ATOM 336 CG LYS A 21 5.303 -13.980 -6.147 1.00 0.00 C ATOM 337 CD LYS A 21 6.659 -14.075 -5.491 1.00 0.00 C ATOM 338 CE LYS A 21 6.722 -15.306 -4.618 1.00 0.00 C ATOM 339 NZ LYS A 21 6.717 -16.557 -5.424 1.00 0.00 N ATOM 0 H LYS A 21 4.999 -11.526 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 21 3.656 -13.847 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.033 -13.482 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.703 -12.096 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.577 -13.599 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.970 -14.976 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.439 -14.118 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.846 -13.184 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.623 -15.272 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.873 -15.311 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.171 -17.320 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.736 -16.824 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.240 -16.402 -6.309 1.00 0.00 H new ATOM 353 N HIS A 22 2.895 -11.253 -6.621 1.00 0.00 N ATOM 354 CA HIS A 22 1.996 -10.791 -5.573 1.00 0.00 C ATOM 355 C HIS A 22 0.828 -10.029 -6.175 1.00 0.00 C ATOM 356 O HIS A 22 -0.178 -9.823 -5.511 1.00 0.00 O ATOM 357 CB HIS A 22 2.739 -9.905 -4.557 1.00 0.00 C ATOM 358 CG HIS A 22 3.840 -10.618 -3.821 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.620 -11.465 -2.751 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.178 -10.597 -4.009 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.776 -11.931 -2.312 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.744 -11.418 -3.056 1.00 0.00 N ATOM 0 H HIS A 22 3.479 -10.525 -7.032 1.00 0.00 H new ATOM 0 HA HIS A 22 1.614 -11.666 -5.048 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.160 -9.045 -5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.022 -9.518 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.708 -10.039 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 22 4.909 -12.614 -1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.741 -11.600 -2.943 1.00 0.00 H new ATOM 371 N ALA A 23 0.966 -9.650 -7.446 1.00 0.00 N ATOM 372 CA ALA A 23 -0.025 -8.829 -8.151 1.00 0.00 C ATOM 373 C ALA A 23 -1.448 -9.344 -7.985 1.00 0.00 C ATOM 374 O ALA A 23 -2.390 -8.555 -7.900 1.00 0.00 O ATOM 375 CB ALA A 23 0.327 -8.759 -9.623 1.00 0.00 C ATOM 0 H ALA A 23 1.770 -9.904 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 23 0.007 -7.835 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.410 -8.149 -10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.315 -8.314 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.330 -9.764 -10.045 1.00 0.00 H new ATOM 381 N ALA A 24 -1.589 -10.661 -7.920 1.00 0.00 N ATOM 382 CA ALA A 24 -2.886 -11.308 -7.748 1.00 0.00 C ATOM 383 C ALA A 24 -3.632 -10.763 -6.524 1.00 0.00 C ATOM 384 O ALA A 24 -4.863 -10.738 -6.499 1.00 0.00 O ATOM 385 CB ALA A 24 -2.687 -12.811 -7.627 1.00 0.00 C ATOM 0 H ALA A 24 -0.807 -11.313 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.499 -11.090 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.654 -13.297 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.209 -13.189 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.055 -13.026 -6.765 1.00 0.00 H new ATOM 391 N TYR A 25 -2.881 -10.320 -5.523 1.00 0.00 N ATOM 392 CA TYR A 25 -3.462 -9.772 -4.301 1.00 0.00 C ATOM 393 C TYR A 25 -2.733 -8.494 -3.871 1.00 0.00 C ATOM 394 O TYR A 25 -2.858 -8.045 -2.735 1.00 0.00 O ATOM 395 CB TYR A 25 -3.441 -10.830 -3.185 1.00 0.00 C ATOM 396 CG TYR A 25 -2.143 -11.602 -3.078 1.00 0.00 C ATOM 397 CD1 TYR A 25 -1.009 -11.030 -2.522 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.060 -12.914 -3.530 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.171 -11.741 -2.425 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.883 -13.630 -3.435 1.00 0.00 C ATOM 401 CZ TYR A 25 0.230 -13.037 -2.884 1.00 0.00 C ATOM 402 OH TYR A 25 1.407 -13.742 -2.782 1.00 0.00 O ATOM 0 H TYR A 25 -1.861 -10.329 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.500 -9.503 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.637 -10.339 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.255 -11.534 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.049 -10.013 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.932 -13.382 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.046 -11.281 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.836 -14.649 -3.791 1.00 0.00 H new ATOM 0 HH TYR A 25 2.161 -13.117 -2.750 1.00 0.00 H new ATOM 412 N ALA A 26 -1.974 -7.913 -4.797 1.00 0.00 N ATOM 413 CA ALA A 26 -1.237 -6.677 -4.532 1.00 0.00 C ATOM 414 C ALA A 26 -1.780 -5.523 -5.369 1.00 0.00 C ATOM 415 O ALA A 26 -1.461 -4.354 -5.124 1.00 0.00 O ATOM 416 CB ALA A 26 0.250 -6.859 -4.819 1.00 0.00 C ATOM 0 H ALA A 26 -1.852 -8.279 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.369 -6.438 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.777 -5.927 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.649 -7.649 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.388 -7.132 -5.865 1.00 0.00 H new ATOM 422 N TRP A 27 -2.615 -5.849 -6.352 1.00 0.00 N ATOM 423 CA TRP A 27 -3.140 -4.840 -7.271 1.00 0.00 C ATOM 424 C TRP A 27 -3.876 -3.677 -6.565 1.00 0.00 C ATOM 425 O TRP A 27 -3.804 -2.550 -7.054 1.00 0.00 O ATOM 426 CB TRP A 27 -4.038 -5.471 -8.352 1.00 0.00 C ATOM 427 CG TRP A 27 -5.226 -6.226 -7.828 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.289 -7.560 -7.553 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.528 -5.696 -7.529 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.540 -7.891 -7.095 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.317 -6.767 -7.073 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.102 -4.419 -7.596 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.643 -6.604 -6.688 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.416 -4.261 -7.215 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.175 -5.347 -6.767 1.00 0.00 C ATOM 0 H TRP A 27 -2.942 -6.798 -6.533 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.264 -4.404 -7.751 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.392 -4.682 -9.015 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.433 -6.148 -8.956 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.472 -8.256 -7.678 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.841 -8.825 -6.816 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.524 -3.574 -7.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.231 -7.440 -6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.868 -3.281 -7.263 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.203 -5.189 -6.477 1.00 0.00 H new ATOM 446 N PRO A 28 -4.603 -3.893 -5.425 1.00 0.00 N ATOM 447 CA PRO A 28 -5.258 -2.788 -4.708 1.00 0.00 C ATOM 448 C PRO A 28 -4.293 -1.667 -4.325 1.00 0.00 C ATOM 449 O PRO A 28 -4.708 -0.526 -4.127 1.00 0.00 O ATOM 450 CB PRO A 28 -5.821 -3.419 -3.424 1.00 0.00 C ATOM 451 CG PRO A 28 -5.352 -4.838 -3.399 1.00 0.00 C ATOM 452 CD PRO A 28 -4.898 -5.193 -4.790 1.00 0.00 C ATOM 0 HA PRO A 28 -6.015 -2.332 -5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.471 -2.881 -2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.910 -3.371 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.535 -4.959 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.155 -5.501 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.016 -5.834 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.672 -5.734 -5.334 1.00 0.00 H new ATOM 460 N PHE A 29 -3.011 -1.995 -4.227 1.00 0.00 N ATOM 461 CA PHE A 29 -2.023 -1.044 -3.718 1.00 0.00 C ATOM 462 C PHE A 29 -1.091 -0.556 -4.819 1.00 0.00 C ATOM 463 O PHE A 29 -0.277 0.340 -4.592 1.00 0.00 O ATOM 464 CB PHE A 29 -1.196 -1.678 -2.601 1.00 0.00 C ATOM 465 CG PHE A 29 -1.949 -2.702 -1.806 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.623 -4.043 -1.909 1.00 0.00 C ATOM 467 CD2 PHE A 29 -2.993 -2.331 -0.975 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.321 -4.994 -1.201 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.693 -3.282 -0.260 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.356 -4.616 -0.378 1.00 0.00 C ATOM 0 H PHE A 29 -2.630 -2.904 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.573 -0.188 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.312 -2.145 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.846 -0.894 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.811 -4.347 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.262 -1.289 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.056 -6.037 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.502 -2.983 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.905 -5.363 0.176 1.00 0.00 H new ATOM 480 N TYR A 30 -1.187 -1.165 -5.996 1.00 0.00 N ATOM 481 CA TYR A 30 -0.406 -0.720 -7.149 1.00 0.00 C ATOM 482 C TYR A 30 -0.652 0.755 -7.430 1.00 0.00 C ATOM 483 O TYR A 30 0.287 1.547 -7.489 1.00 0.00 O ATOM 484 CB TYR A 30 -0.748 -1.551 -8.392 1.00 0.00 C ATOM 485 CG TYR A 30 -0.032 -2.879 -8.447 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.477 -3.448 -7.296 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.150 -3.552 -9.647 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.150 -4.645 -7.326 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.820 -4.760 -9.687 1.00 0.00 C ATOM 490 CZ TYR A 30 1.320 -5.298 -8.520 1.00 0.00 C ATOM 491 OH TYR A 30 1.994 -6.492 -8.545 1.00 0.00 O ATOM 0 H TYR A 30 -1.794 -1.964 -6.178 1.00 0.00 H new ATOM 0 HA TYR A 30 0.649 -0.861 -6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.824 -1.726 -8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.498 -0.976 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.343 -2.941 -6.352 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.237 -3.126 -10.561 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.543 -5.070 -6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.951 -5.279 -10.625 1.00 0.00 H new ATOM 0 HH TYR A 30 2.571 -6.526 -9.337 1.00 0.00 H new ATOM 501 N LYS A 31 -1.918 1.110 -7.601 1.00 0.00 N ATOM 502 CA LYS A 31 -2.301 2.483 -7.874 1.00 0.00 C ATOM 503 C LYS A 31 -3.581 2.845 -7.126 1.00 0.00 C ATOM 504 O LYS A 31 -4.370 1.965 -6.780 1.00 0.00 O ATOM 505 CB LYS A 31 -2.460 2.679 -9.380 1.00 0.00 C ATOM 506 CG LYS A 31 -1.121 2.789 -10.093 1.00 0.00 C ATOM 507 CD LYS A 31 -1.271 3.180 -11.550 1.00 0.00 C ATOM 508 CE LYS A 31 0.085 3.447 -12.185 1.00 0.00 C ATOM 509 NZ LYS A 31 0.836 4.513 -11.467 1.00 0.00 N ATOM 0 H LYS A 31 -2.701 0.458 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.518 3.153 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.023 1.843 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.044 3.580 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.501 3.527 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.599 1.835 -10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.781 2.384 -12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.895 4.070 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.672 2.528 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.053 3.739 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.278 5.152 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.182 5.053 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.574 4.080 -10.875 1.00 0.00 H new ATOM 523 N PRO A 32 -3.791 4.152 -6.862 1.00 0.00 N ATOM 524 CA PRO A 32 -4.918 4.649 -6.060 1.00 0.00 C ATOM 525 C PRO A 32 -6.269 4.174 -6.573 1.00 0.00 C ATOM 526 O PRO A 32 -6.487 4.058 -7.783 1.00 0.00 O ATOM 527 CB PRO A 32 -4.815 6.176 -6.194 1.00 0.00 C ATOM 528 CG PRO A 32 -3.905 6.408 -7.346 1.00 0.00 C ATOM 529 CD PRO A 32 -2.948 5.260 -7.334 1.00 0.00 C ATOM 0 HA PRO A 32 -4.861 4.286 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.794 6.622 -6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.419 6.625 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.460 6.447 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.380 7.358 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.536 5.064 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.104 5.441 -6.668 1.00 0.00 H new ATOM 537 N VAL A 33 -7.175 3.906 -5.639 1.00 0.00 N ATOM 538 CA VAL A 33 -8.498 3.410 -5.975 1.00 0.00 C ATOM 539 C VAL A 33 -9.256 4.458 -6.780 1.00 0.00 C ATOM 540 O VAL A 33 -9.120 5.662 -6.542 1.00 0.00 O ATOM 541 CB VAL A 33 -9.302 3.006 -4.705 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.374 2.491 -3.623 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.175 4.139 -4.179 1.00 0.00 C ATOM 0 H VAL A 33 -7.013 4.026 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.378 2.512 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.976 2.202 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.957 2.215 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.836 1.617 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.661 3.270 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.713 3.802 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.547 4.992 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.890 4.434 -4.947 1.00 0.00 H new ATOM 553 N ASP A 34 -10.036 4.002 -7.740 1.00 0.00 N ATOM 554 CA ASP A 34 -10.771 4.911 -8.609 1.00 0.00 C ATOM 555 C ASP A 34 -12.107 5.244 -7.976 1.00 0.00 C ATOM 556 O ASP A 34 -13.145 4.769 -8.415 1.00 0.00 O ATOM 557 CB ASP A 34 -10.973 4.319 -10.012 1.00 0.00 C ATOM 558 CG ASP A 34 -9.665 4.136 -10.760 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.205 5.102 -11.410 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.086 3.031 -10.706 1.00 0.00 O ATOM 0 H ASP A 34 -10.180 3.012 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.184 5.822 -8.726 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.477 3.356 -9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.629 4.973 -10.588 1.00 0.00 H new ATOM 565 N ALA A 35 -12.061 6.066 -6.930 1.00 0.00 N ATOM 566 CA ALA A 35 -13.244 6.406 -6.143 1.00 0.00 C ATOM 567 C ALA A 35 -14.373 6.952 -7.019 1.00 0.00 C ATOM 568 O ALA A 35 -15.549 6.779 -6.701 1.00 0.00 O ATOM 569 CB ALA A 35 -12.883 7.406 -5.050 1.00 0.00 C ATOM 0 H ALA A 35 -11.205 6.514 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.607 5.489 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.774 7.650 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.131 6.970 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.485 8.314 -5.504 1.00 0.00 H new ATOM 575 N SER A 36 -14.016 7.598 -8.122 1.00 0.00 N ATOM 576 CA SER A 36 -15.006 8.101 -9.065 1.00 0.00 C ATOM 577 C SER A 36 -15.753 6.943 -9.735 1.00 0.00 C ATOM 578 O SER A 36 -16.979 6.959 -9.839 1.00 0.00 O ATOM 579 CB SER A 36 -14.331 8.978 -10.125 1.00 0.00 C ATOM 580 OG SER A 36 -15.282 9.536 -11.017 1.00 0.00 O ATOM 0 H SER A 36 -13.049 7.786 -8.385 1.00 0.00 H new ATOM 0 HA SER A 36 -15.728 8.705 -8.515 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.775 9.778 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.609 8.384 -10.685 1.00 0.00 H new ATOM 0 HG SER A 36 -14.822 10.091 -11.680 1.00 0.00 H new ATOM 586 N ALA A 37 -15.007 5.931 -10.161 1.00 0.00 N ATOM 587 CA ALA A 37 -15.587 4.780 -10.847 1.00 0.00 C ATOM 588 C ALA A 37 -16.164 3.784 -9.845 1.00 0.00 C ATOM 589 O ALA A 37 -17.072 3.014 -10.160 1.00 0.00 O ATOM 590 CB ALA A 37 -14.530 4.113 -11.714 1.00 0.00 C ATOM 0 H ALA A 37 -13.995 5.883 -10.043 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.402 5.126 -11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.967 3.254 -12.224 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.162 4.826 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.702 3.780 -11.087 1.00 0.00 H new ATOM 596 N LEU A 38 -15.627 3.817 -8.638 1.00 0.00 N ATOM 597 CA LEU A 38 -16.054 2.930 -7.568 1.00 0.00 C ATOM 598 C LEU A 38 -17.322 3.445 -6.890 1.00 0.00 C ATOM 599 O LEU A 38 -17.957 2.726 -6.120 1.00 0.00 O ATOM 600 CB LEU A 38 -14.917 2.784 -6.551 1.00 0.00 C ATOM 601 CG LEU A 38 -13.731 1.943 -7.029 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.484 2.240 -6.205 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.074 0.465 -6.960 1.00 0.00 C ATOM 0 H LEU A 38 -14.882 4.460 -8.371 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.289 1.954 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.556 3.778 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.318 2.337 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.521 2.207 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.656 1.629 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.226 3.295 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.677 2.009 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.222 -0.123 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.311 0.194 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.935 0.261 -7.597 1.00 0.00 H new ATOM 615 N GLY A 39 -17.688 4.687 -7.183 1.00 0.00 N ATOM 616 CA GLY A 39 -18.884 5.272 -6.598 1.00 0.00 C ATOM 617 C GLY A 39 -18.638 5.806 -5.202 1.00 0.00 C ATOM 618 O GLY A 39 -19.570 6.188 -4.494 1.00 0.00 O ATOM 0 H GLY A 39 -17.178 5.302 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.240 6.080 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.674 4.521 -6.564 1.00 0.00 H new ATOM 622 N LEU A 40 -17.377 5.841 -4.812 1.00 0.00 N ATOM 623 CA LEU A 40 -16.994 6.273 -3.480 1.00 0.00 C ATOM 624 C LEU A 40 -16.887 7.791 -3.425 1.00 0.00 C ATOM 625 O LEU A 40 -15.852 8.366 -3.762 1.00 0.00 O ATOM 626 CB LEU A 40 -15.658 5.638 -3.096 1.00 0.00 C ATOM 627 CG LEU A 40 -15.497 4.170 -3.499 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.227 3.592 -2.903 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.712 3.350 -3.097 1.00 0.00 C ATOM 0 H LEU A 40 -16.593 5.572 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.759 5.954 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.854 6.215 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.532 5.718 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.417 4.125 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.128 2.548 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.366 4.155 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.273 3.658 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.566 2.312 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.843 3.400 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.599 3.749 -3.589 1.00 0.00 H new ATOM 641 N HIS A 41 -17.966 8.435 -3.007 1.00 0.00 N ATOM 642 CA HIS A 41 -18.022 9.895 -2.964 1.00 0.00 C ATOM 643 C HIS A 41 -17.429 10.434 -1.668 1.00 0.00 C ATOM 644 O HIS A 41 -17.395 11.645 -1.452 1.00 0.00 O ATOM 645 CB HIS A 41 -19.470 10.392 -3.098 1.00 0.00 C ATOM 646 CG HIS A 41 -20.158 9.987 -4.376 1.00 0.00 C ATOM 647 ND1 HIS A 41 -20.062 10.725 -5.532 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.962 8.925 -4.682 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.764 10.146 -6.487 1.00 0.00 C ATOM 650 NE2 HIS A 41 -21.318 9.054 -5.999 1.00 0.00 N ATOM 0 H HIS A 41 -18.818 7.972 -2.691 1.00 0.00 H new ATOM 0 HA HIS A 41 -17.433 10.263 -3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -20.049 10.015 -2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -19.475 11.480 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -21.261 8.133 -4.012 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.868 10.507 -7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.915 8.410 -6.518 1.00 0.00 H new ATOM 659 N ASP A 42 -16.971 9.540 -0.804 1.00 0.00 N ATOM 660 CA ASP A 42 -16.435 9.946 0.491 1.00 0.00 C ATOM 661 C ASP A 42 -15.020 9.423 0.727 1.00 0.00 C ATOM 662 O ASP A 42 -14.560 9.357 1.866 1.00 0.00 O ATOM 663 CB ASP A 42 -17.358 9.480 1.625 1.00 0.00 C ATOM 664 CG ASP A 42 -17.829 8.044 1.464 1.00 0.00 C ATOM 665 OD1 ASP A 42 -17.046 7.193 0.988 1.00 0.00 O ATOM 666 OD2 ASP A 42 -19.000 7.768 1.807 1.00 0.00 O ATOM 0 H ASP A 42 -16.959 8.534 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.385 11.035 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.833 9.579 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.226 10.137 1.671 1.00 0.00 H new ATOM 671 N TYR A 43 -14.308 9.093 -0.343 1.00 0.00 N ATOM 672 CA TYR A 43 -12.978 8.520 -0.211 1.00 0.00 C ATOM 673 C TYR A 43 -11.987 9.531 0.362 1.00 0.00 C ATOM 674 O TYR A 43 -11.159 9.188 1.205 1.00 0.00 O ATOM 675 CB TYR A 43 -12.503 7.985 -1.568 1.00 0.00 C ATOM 676 CG TYR A 43 -11.082 7.471 -1.582 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.797 6.169 -1.208 1.00 0.00 C ATOM 678 CD2 TYR A 43 -10.032 8.284 -1.981 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.503 5.687 -1.227 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.739 7.813 -2.003 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.477 6.515 -1.625 1.00 0.00 C ATOM 682 OH TYR A 43 -7.183 6.047 -1.651 1.00 0.00 O ATOM 0 H TYR A 43 -14.627 9.212 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 43 -13.030 7.690 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.169 7.180 -1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.595 8.779 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.601 5.519 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.232 9.303 -2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.297 4.669 -0.932 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.932 8.459 -2.316 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.584 6.759 -1.957 1.00 0.00 H new ATOM 692 N HIS A 44 -12.096 10.781 -0.061 1.00 0.00 N ATOM 693 CA HIS A 44 -11.168 11.811 0.397 1.00 0.00 C ATOM 694 C HIS A 44 -11.610 12.390 1.738 1.00 0.00 C ATOM 695 O HIS A 44 -10.943 13.257 2.305 1.00 0.00 O ATOM 696 CB HIS A 44 -11.019 12.922 -0.646 1.00 0.00 C ATOM 697 CG HIS A 44 -10.224 12.511 -1.849 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.863 12.706 -1.954 1.00 0.00 N ATOM 699 CD2 HIS A 44 -10.603 11.909 -3.002 1.00 0.00 C ATOM 700 CE1 HIS A 44 -8.441 12.241 -3.116 1.00 0.00 C ATOM 701 NE2 HIS A 44 -9.477 11.753 -3.768 1.00 0.00 N ATOM 0 H HIS A 44 -12.809 11.107 -0.714 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.194 11.341 0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.010 13.243 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.540 13.784 -0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.606 11.608 -3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.421 12.258 -3.471 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.446 11.327 -4.694 1.00 0.00 H new ATOM 710 N ASP A 45 -12.740 11.910 2.241 1.00 0.00 N ATOM 711 CA ASP A 45 -13.215 12.305 3.563 1.00 0.00 C ATOM 712 C ASP A 45 -12.624 11.397 4.630 1.00 0.00 C ATOM 713 O ASP A 45 -12.401 11.815 5.766 1.00 0.00 O ATOM 714 CB ASP A 45 -14.743 12.249 3.647 1.00 0.00 C ATOM 715 CG ASP A 45 -15.425 13.322 2.825 1.00 0.00 C ATOM 716 OD1 ASP A 45 -15.526 14.468 3.307 1.00 0.00 O ATOM 717 OD2 ASP A 45 -15.882 13.029 1.703 1.00 0.00 O ATOM 0 H ASP A 45 -13.345 11.248 1.755 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.893 13.332 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.083 11.270 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.047 12.350 4.689 1.00 0.00 H new ATOM 722 N ILE A 46 -12.382 10.147 4.259 1.00 0.00 N ATOM 723 CA ILE A 46 -11.866 9.155 5.195 1.00 0.00 C ATOM 724 C ILE A 46 -10.346 9.039 5.093 1.00 0.00 C ATOM 725 O ILE A 46 -9.645 9.013 6.106 1.00 0.00 O ATOM 726 CB ILE A 46 -12.526 7.764 4.965 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.954 7.721 5.511 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.718 6.647 5.612 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.933 8.652 4.827 1.00 0.00 C ATOM 0 H ILE A 46 -12.535 9.794 3.314 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.121 9.494 6.199 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.550 7.611 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.328 6.701 5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.927 7.964 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.209 5.691 5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.716 6.627 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.650 6.822 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.916 8.547 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.591 9.681 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.998 8.398 3.769 1.00 0.00 H new ATOM 741 N ILE A 47 -9.835 8.988 3.873 1.00 0.00 N ATOM 742 CA ILE A 47 -8.408 8.796 3.662 1.00 0.00 C ATOM 743 C ILE A 47 -7.664 10.127 3.670 1.00 0.00 C ATOM 744 O ILE A 47 -7.789 10.922 2.739 1.00 0.00 O ATOM 745 CB ILE A 47 -8.123 8.084 2.326 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.938 6.793 2.211 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.636 7.790 2.208 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.460 5.690 3.118 1.00 0.00 C ATOM 0 H ILE A 47 -10.383 9.076 3.018 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.055 8.174 4.484 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.421 8.741 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.981 7.011 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.903 6.443 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.439 7.286 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.076 8.725 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.326 7.148 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.086 4.808 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.426 5.442 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.521 6.020 4.155 1.00 0.00 H new ATOM 760 N LYS A 48 -6.908 10.377 4.732 1.00 0.00 N ATOM 761 CA LYS A 48 -6.081 11.565 4.816 1.00 0.00 C ATOM 762 C LYS A 48 -4.704 11.337 4.202 1.00 0.00 C ATOM 763 O LYS A 48 -4.039 12.281 3.785 1.00 0.00 O ATOM 764 CB LYS A 48 -5.935 12.015 6.264 1.00 0.00 C ATOM 765 CG LYS A 48 -7.116 12.836 6.736 1.00 0.00 C ATOM 766 CD LYS A 48 -8.404 12.043 6.677 1.00 0.00 C ATOM 767 CE LYS A 48 -9.618 12.944 6.723 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.566 13.915 7.846 1.00 0.00 N ATOM 0 H LYS A 48 -6.854 9.767 5.548 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.580 12.349 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.826 11.140 6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.023 12.602 6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.941 13.172 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.209 13.729 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.425 11.450 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.439 11.343 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.699 13.487 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.516 12.333 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.487 14.390 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.347 13.412 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.828 14.623 7.659 1.00 0.00 H new ATOM 782 N HIS A 49 -4.276 10.081 4.154 1.00 0.00 N ATOM 783 CA HIS A 49 -2.983 9.733 3.561 1.00 0.00 C ATOM 784 C HIS A 49 -3.144 8.752 2.395 1.00 0.00 C ATOM 785 O HIS A 49 -2.767 7.585 2.512 1.00 0.00 O ATOM 786 CB HIS A 49 -2.054 9.123 4.614 1.00 0.00 C ATOM 787 CG HIS A 49 -1.561 10.106 5.629 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.405 10.836 5.467 1.00 0.00 N ATOM 789 CD2 HIS A 49 -2.071 10.476 6.825 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.224 11.610 6.518 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.222 11.412 7.357 1.00 0.00 N ATOM 0 H HIS A 49 -4.801 9.286 4.517 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.544 10.655 3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.581 8.319 5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.197 8.673 4.112 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.978 10.104 7.277 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.601 12.291 6.667 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.343 11.879 8.256 1.00 0.00 H new ATOM 800 N PRO A 50 -3.719 9.200 1.261 1.00 0.00 N ATOM 801 CA PRO A 50 -3.859 8.358 0.064 1.00 0.00 C ATOM 802 C PRO A 50 -2.516 8.096 -0.620 1.00 0.00 C ATOM 803 O PRO A 50 -1.969 8.965 -1.304 1.00 0.00 O ATOM 804 CB PRO A 50 -4.776 9.181 -0.845 1.00 0.00 C ATOM 805 CG PRO A 50 -4.555 10.591 -0.425 1.00 0.00 C ATOM 806 CD PRO A 50 -4.298 10.543 1.056 1.00 0.00 C ATOM 0 HA PRO A 50 -4.253 7.370 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.525 9.037 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.819 8.890 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.709 11.028 -0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.425 11.207 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.611 11.329 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.217 10.676 1.627 1.00 0.00 H new ATOM 814 N MET A 51 -1.988 6.898 -0.422 1.00 0.00 N ATOM 815 CA MET A 51 -0.705 6.526 -0.998 1.00 0.00 C ATOM 816 C MET A 51 -0.784 5.154 -1.658 1.00 0.00 C ATOM 817 O MET A 51 -1.601 4.318 -1.270 1.00 0.00 O ATOM 818 CB MET A 51 0.383 6.535 0.087 1.00 0.00 C ATOM 819 CG MET A 51 1.749 6.040 -0.390 1.00 0.00 C ATOM 820 SD MET A 51 2.331 6.926 -1.853 1.00 0.00 S ATOM 821 CE MET A 51 2.253 8.613 -1.273 1.00 0.00 C ATOM 0 H MET A 51 -2.429 6.166 0.134 1.00 0.00 H new ATOM 0 HA MET A 51 -0.447 7.257 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.490 7.550 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.055 5.913 0.920 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.475 6.156 0.414 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.688 4.975 -0.614 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.031 9.201 -1.759 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.277 9.035 -1.511 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.404 8.634 -0.194 1.00 0.00 H new ATOM 831 N ASP A 52 0.064 4.944 -2.656 1.00 0.00 N ATOM 832 CA ASP A 52 0.149 3.675 -3.363 1.00 0.00 C ATOM 833 C ASP A 52 1.612 3.334 -3.628 1.00 0.00 C ATOM 834 O ASP A 52 2.473 4.215 -3.571 1.00 0.00 O ATOM 835 CB ASP A 52 -0.625 3.731 -4.685 1.00 0.00 C ATOM 836 CG ASP A 52 -0.088 4.789 -5.627 1.00 0.00 C ATOM 837 OD1 ASP A 52 0.797 4.478 -6.444 1.00 0.00 O ATOM 838 OD2 ASP A 52 -0.551 5.948 -5.552 1.00 0.00 O ATOM 0 H ASP A 52 0.714 5.652 -2.998 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.299 2.900 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.577 2.757 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.676 3.932 -4.479 1.00 0.00 H new ATOM 843 N LEU A 53 1.893 2.075 -3.926 1.00 0.00 N ATOM 844 CA LEU A 53 3.269 1.623 -4.134 1.00 0.00 C ATOM 845 C LEU A 53 3.937 2.329 -5.308 1.00 0.00 C ATOM 846 O LEU A 53 5.133 2.627 -5.267 1.00 0.00 O ATOM 847 CB LEU A 53 3.304 0.110 -4.331 1.00 0.00 C ATOM 848 CG LEU A 53 3.187 -0.695 -3.043 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.898 -2.141 -3.358 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.453 -0.583 -2.219 1.00 0.00 C ATOM 0 H LEU A 53 1.189 1.344 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 53 3.835 1.882 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.492 -0.176 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.236 -0.158 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 53 2.362 -0.287 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.817 -2.706 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.961 -2.213 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.707 -2.551 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.345 -1.166 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.297 -0.964 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.630 0.462 -1.964 1.00 0.00 H new ATOM 862 N SER A 54 3.161 2.622 -6.338 1.00 0.00 N ATOM 863 CA SER A 54 3.705 3.268 -7.527 1.00 0.00 C ATOM 864 C SER A 54 4.125 4.713 -7.215 1.00 0.00 C ATOM 865 O SER A 54 5.062 5.239 -7.821 1.00 0.00 O ATOM 866 CB SER A 54 2.699 3.209 -8.685 1.00 0.00 C ATOM 867 OG SER A 54 3.142 3.956 -9.804 1.00 0.00 O ATOM 0 H SER A 54 2.161 2.426 -6.378 1.00 0.00 H new ATOM 0 HA SER A 54 4.598 2.726 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.544 2.171 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.736 3.593 -8.350 1.00 0.00 H new ATOM 0 HG SER A 54 3.216 3.366 -10.583 1.00 0.00 H new ATOM 873 N THR A 55 3.452 5.345 -6.254 1.00 0.00 N ATOM 874 CA THR A 55 3.829 6.684 -5.810 1.00 0.00 C ATOM 875 C THR A 55 4.989 6.628 -4.822 1.00 0.00 C ATOM 876 O THR A 55 5.852 7.508 -4.821 1.00 0.00 O ATOM 877 CB THR A 55 2.651 7.439 -5.171 1.00 0.00 C ATOM 878 OG1 THR A 55 1.515 7.386 -6.039 1.00 0.00 O ATOM 879 CG2 THR A 55 3.025 8.887 -4.943 1.00 0.00 C ATOM 0 H THR A 55 2.645 4.951 -5.770 1.00 0.00 H new ATOM 0 HA THR A 55 4.138 7.228 -6.702 1.00 0.00 H new ATOM 0 HB THR A 55 2.411 6.969 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.721 7.130 -5.524 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.184 9.413 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.887 8.940 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.274 9.353 -5.896 1.00 0.00 H new ATOM 887 N VAL A 56 5.018 5.594 -3.988 1.00 0.00 N ATOM 888 CA VAL A 56 6.141 5.389 -3.078 1.00 0.00 C ATOM 889 C VAL A 56 7.419 5.256 -3.887 1.00 0.00 C ATOM 890 O VAL A 56 8.442 5.872 -3.586 1.00 0.00 O ATOM 891 CB VAL A 56 5.956 4.124 -2.212 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.196 3.860 -1.364 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.729 4.262 -1.327 1.00 0.00 C ATOM 0 H VAL A 56 4.283 4.889 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 56 6.194 6.249 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 56 5.812 3.274 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.042 2.964 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.058 3.716 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.376 4.711 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.613 3.362 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.848 5.125 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.845 4.398 -1.950 1.00 0.00 H new ATOM 903 N LYS A 57 7.328 4.466 -4.942 1.00 0.00 N ATOM 904 CA LYS A 57 8.443 4.252 -5.842 1.00 0.00 C ATOM 905 C LYS A 57 8.798 5.545 -6.552 1.00 0.00 C ATOM 906 O LYS A 57 9.967 5.867 -6.726 1.00 0.00 O ATOM 907 CB LYS A 57 8.087 3.185 -6.868 1.00 0.00 C ATOM 908 CG LYS A 57 9.202 2.189 -7.098 1.00 0.00 C ATOM 909 CD LYS A 57 8.845 1.180 -8.167 1.00 0.00 C ATOM 910 CE LYS A 57 9.928 0.128 -8.288 1.00 0.00 C ATOM 911 NZ LYS A 57 11.218 0.715 -8.749 1.00 0.00 N ATOM 0 H LYS A 57 6.482 3.957 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 57 9.302 3.918 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.195 2.653 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.837 3.667 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.109 2.720 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.422 1.668 -6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.894 0.705 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.713 1.686 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.073 -0.357 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.609 -0.644 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.878 -0.049 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.049 1.313 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.629 1.292 -7.987 1.00 0.00 H new ATOM 925 N ARG A 58 7.765 6.272 -6.952 1.00 0.00 N ATOM 926 CA ARG A 58 7.917 7.571 -7.598 1.00 0.00 C ATOM 927 C ARG A 58 8.731 8.527 -6.724 1.00 0.00 C ATOM 928 O ARG A 58 9.705 9.130 -7.176 1.00 0.00 O ATOM 929 CB ARG A 58 6.529 8.149 -7.860 1.00 0.00 C ATOM 930 CG ARG A 58 6.522 9.494 -8.566 1.00 0.00 C ATOM 931 CD ARG A 58 5.104 9.994 -8.762 1.00 0.00 C ATOM 932 NE ARG A 58 5.052 11.330 -9.352 1.00 0.00 N ATOM 933 CZ ARG A 58 3.918 11.950 -9.677 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.752 11.333 -9.513 1.00 0.00 N ATOM 935 NH2 ARG A 58 3.950 13.179 -10.174 1.00 0.00 N ATOM 0 H ARG A 58 6.795 5.979 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 58 8.454 7.445 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.961 7.437 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.008 8.251 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.090 10.219 -7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.017 9.404 -9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.563 9.297 -9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.591 10.006 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 58 5.933 11.815 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.725 10.385 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.884 11.808 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.844 13.652 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.081 13.652 -10.422 1.00 0.00 H new ATOM 949 N LYS A 59 8.334 8.643 -5.467 1.00 0.00 N ATOM 950 CA LYS A 59 9.009 9.523 -4.523 1.00 0.00 C ATOM 951 C LYS A 59 10.378 8.959 -4.140 1.00 0.00 C ATOM 952 O LYS A 59 11.307 9.710 -3.834 1.00 0.00 O ATOM 953 CB LYS A 59 8.121 9.733 -3.293 1.00 0.00 C ATOM 954 CG LYS A 59 6.819 10.458 -3.618 1.00 0.00 C ATOM 955 CD LYS A 59 5.752 10.281 -2.537 1.00 0.00 C ATOM 956 CE LYS A 59 6.246 10.666 -1.149 1.00 0.00 C ATOM 957 NZ LYS A 59 6.619 9.475 -0.340 1.00 0.00 N ATOM 0 H LYS A 59 7.542 8.135 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 59 9.181 10.492 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.891 8.765 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.672 10.304 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.024 11.521 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.431 10.089 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.882 10.888 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.423 9.242 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.108 11.326 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.469 11.228 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.135 9.780 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.758 8.964 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.225 8.847 -0.906 1.00 0.00 H new ATOM 971 N MET A 60 10.503 7.636 -4.170 1.00 0.00 N ATOM 972 CA MET A 60 11.801 6.988 -4.001 1.00 0.00 C ATOM 973 C MET A 60 12.711 7.323 -5.182 1.00 0.00 C ATOM 974 O MET A 60 13.913 7.514 -5.014 1.00 0.00 O ATOM 975 CB MET A 60 11.656 5.466 -3.888 1.00 0.00 C ATOM 976 CG MET A 60 12.983 4.741 -3.728 1.00 0.00 C ATOM 977 SD MET A 60 12.869 2.991 -4.141 1.00 0.00 S ATOM 978 CE MET A 60 11.536 2.494 -3.061 1.00 0.00 C ATOM 0 H MET A 60 9.724 6.992 -4.309 1.00 0.00 H new ATOM 0 HA MET A 60 12.241 7.362 -3.077 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.018 5.232 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.150 5.090 -4.777 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.730 5.213 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.329 4.846 -2.700 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.608 1.425 -2.862 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.605 3.043 -2.122 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.581 2.711 -3.539 1.00 0.00 H new ATOM 988 N GLU A 61 12.127 7.400 -6.377 1.00 0.00 N ATOM 989 CA GLU A 61 12.874 7.755 -7.578 1.00 0.00 C ATOM 990 C GLU A 61 13.398 9.176 -7.481 1.00 0.00 C ATOM 991 O GLU A 61 14.476 9.487 -7.981 1.00 0.00 O ATOM 992 CB GLU A 61 12.007 7.616 -8.832 1.00 0.00 C ATOM 993 CG GLU A 61 11.772 6.181 -9.263 1.00 0.00 C ATOM 994 CD GLU A 61 11.148 6.083 -10.637 1.00 0.00 C ATOM 995 OE1 GLU A 61 11.853 6.356 -11.630 1.00 0.00 O ATOM 996 OE2 GLU A 61 9.957 5.713 -10.737 1.00 0.00 O ATOM 0 H GLU A 61 11.136 7.220 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 61 13.714 7.065 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.044 8.092 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.481 8.158 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.721 5.644 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.124 5.689 -8.538 1.00 0.00 H new ATOM 1003 N ASN A 62 12.637 10.030 -6.814 1.00 0.00 N ATOM 1004 CA ASN A 62 13.031 11.421 -6.632 1.00 0.00 C ATOM 1005 C ASN A 62 13.990 11.528 -5.463 1.00 0.00 C ATOM 1006 O ASN A 62 14.515 12.600 -5.159 1.00 0.00 O ATOM 1007 CB ASN A 62 11.806 12.316 -6.405 1.00 0.00 C ATOM 1008 CG ASN A 62 10.978 12.538 -7.665 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.346 13.583 -7.831 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.969 11.562 -8.561 1.00 0.00 N ATOM 0 H ASN A 62 11.743 9.785 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 62 13.529 11.764 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.174 11.867 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.136 13.281 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.428 11.663 -9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.503 10.710 -8.392 1.00 0.00 H new ATOM 1017 N ARG A 63 14.206 10.377 -4.827 1.00 0.00 N ATOM 1018 CA ARG A 63 15.161 10.223 -3.742 1.00 0.00 C ATOM 1019 C ARG A 63 14.861 11.178 -2.604 1.00 0.00 C ATOM 1020 O ARG A 63 15.767 11.703 -1.957 1.00 0.00 O ATOM 1021 CB ARG A 63 16.580 10.421 -4.268 1.00 0.00 C ATOM 1022 CG ARG A 63 16.894 9.551 -5.473 1.00 0.00 C ATOM 1023 CD ARG A 63 17.003 8.078 -5.102 1.00 0.00 C ATOM 1024 NE ARG A 63 16.726 7.201 -6.241 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.638 6.823 -7.137 1.00 0.00 C ATOM 1026 NH1 ARG A 63 18.882 7.278 -7.060 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.307 5.993 -8.114 1.00 0.00 N ATOM 0 H ARG A 63 13.712 9.515 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 63 15.074 9.212 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.719 11.468 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.291 10.199 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.115 9.679 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.830 9.881 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.004 7.873 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.305 7.855 -4.295 1.00 0.00 H new ATOM 0 HE ARG A 63 15.773 6.857 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.145 7.920 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.576 6.985 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.352 5.641 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.007 5.706 -8.798 1.00 0.00 H new ATOM 1041 N ASP A 64 13.578 11.406 -2.366 1.00 0.00 N ATOM 1042 CA ASP A 64 13.151 12.209 -1.225 1.00 0.00 C ATOM 1043 C ASP A 64 13.297 11.420 0.068 1.00 0.00 C ATOM 1044 O ASP A 64 13.271 11.979 1.164 1.00 0.00 O ATOM 1045 CB ASP A 64 11.705 12.673 -1.392 1.00 0.00 C ATOM 1046 CG ASP A 64 11.580 13.848 -2.338 1.00 0.00 C ATOM 1047 OD1 ASP A 64 11.890 14.987 -1.926 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.163 13.647 -3.495 1.00 0.00 O ATOM 0 H ASP A 64 12.816 11.049 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 64 13.793 13.089 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.102 11.845 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.301 12.950 -0.418 1.00 0.00 H new ATOM 1053 N TYR A 65 13.450 10.116 -0.071 1.00 0.00 N ATOM 1054 CA TYR A 65 13.615 9.229 1.071 1.00 0.00 C ATOM 1055 C TYR A 65 15.068 9.236 1.519 1.00 0.00 C ATOM 1056 O TYR A 65 15.978 9.233 0.690 1.00 0.00 O ATOM 1057 CB TYR A 65 13.217 7.791 0.713 1.00 0.00 C ATOM 1058 CG TYR A 65 11.768 7.597 0.307 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.121 6.395 0.553 1.00 0.00 C ATOM 1060 CD2 TYR A 65 11.054 8.601 -0.330 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.806 6.201 0.176 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.744 8.415 -0.703 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.124 7.218 -0.451 1.00 0.00 C ATOM 1064 OH TYR A 65 7.815 7.045 -0.831 1.00 0.00 O ATOM 0 H TYR A 65 13.464 9.641 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 65 12.969 9.587 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.854 7.448 -0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.425 7.151 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.654 5.597 1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.536 9.545 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.317 5.258 0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.204 9.211 -1.194 1.00 0.00 H new ATOM 0 HH TYR A 65 7.268 6.849 -0.042 1.00 0.00 H new ATOM 1074 N ARG A 66 15.286 9.271 2.821 1.00 0.00 N ATOM 1075 CA ARG A 66 16.629 9.191 3.358 1.00 0.00 C ATOM 1076 C ARG A 66 16.941 7.773 3.823 1.00 0.00 C ATOM 1077 O ARG A 66 18.080 7.320 3.725 1.00 0.00 O ATOM 1078 CB ARG A 66 16.804 10.185 4.515 1.00 0.00 C ATOM 1079 CG ARG A 66 18.135 10.064 5.243 1.00 0.00 C ATOM 1080 CD ARG A 66 19.306 10.449 4.356 1.00 0.00 C ATOM 1081 NE ARG A 66 20.556 9.865 4.833 1.00 0.00 N ATOM 1082 CZ ARG A 66 21.561 9.496 4.040 1.00 0.00 C ATOM 1083 NH1 ARG A 66 21.473 9.660 2.727 1.00 0.00 N ATOM 1084 NH2 ARG A 66 22.653 8.957 4.565 1.00 0.00 N ATOM 0 H ARG A 66 14.551 9.354 3.523 1.00 0.00 H new ATOM 0 HA ARG A 66 17.330 9.453 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.705 11.199 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.996 10.038 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.124 10.702 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.266 9.040 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.115 10.117 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.399 11.535 4.326 1.00 0.00 H new ATOM 0 HE ARG A 66 20.667 9.731 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.633 10.070 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.245 9.376 2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 66 22.722 8.826 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.424 8.674 3.960 1.00 0.00 H new ATOM 1098 N ASP A 67 15.924 7.062 4.298 1.00 0.00 N ATOM 1099 CA ASP A 67 16.127 5.737 4.857 1.00 0.00 C ATOM 1100 C ASP A 67 14.942 4.849 4.534 1.00 0.00 C ATOM 1101 O ASP A 67 13.880 5.331 4.133 1.00 0.00 O ATOM 1102 CB ASP A 67 16.327 5.801 6.378 1.00 0.00 C ATOM 1103 CG ASP A 67 17.686 6.335 6.782 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.669 5.564 6.740 1.00 0.00 O ATOM 1105 OD2 ASP A 67 17.780 7.520 7.160 1.00 0.00 O ATOM 0 H ASP A 67 14.956 7.382 4.306 1.00 0.00 H new ATOM 0 HA ASP A 67 17.028 5.318 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.552 6.432 6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.197 4.803 6.797 1.00 0.00 H new ATOM 1110 N ALA A 68 15.123 3.553 4.727 1.00 0.00 N ATOM 1111 CA ALA A 68 14.081 2.586 4.435 1.00 0.00 C ATOM 1112 C ALA A 68 12.952 2.702 5.439 1.00 0.00 C ATOM 1113 O ALA A 68 11.847 2.221 5.202 1.00 0.00 O ATOM 1114 CB ALA A 68 14.643 1.182 4.446 1.00 0.00 C ATOM 0 H ALA A 68 15.987 3.146 5.086 1.00 0.00 H new ATOM 0 HA ALA A 68 13.688 2.798 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.848 0.470 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.426 1.097 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.061 0.965 5.429 1.00 0.00 H new ATOM 1120 N GLN A 69 13.236 3.347 6.562 1.00 0.00 N ATOM 1121 CA GLN A 69 12.222 3.588 7.569 1.00 0.00 C ATOM 1122 C GLN A 69 11.194 4.562 7.017 1.00 0.00 C ATOM 1123 O GLN A 69 9.999 4.431 7.259 1.00 0.00 O ATOM 1124 CB GLN A 69 12.833 4.160 8.849 1.00 0.00 C ATOM 1125 CG GLN A 69 11.809 4.363 9.948 1.00 0.00 C ATOM 1126 CD GLN A 69 11.459 3.084 10.686 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.313 2.877 11.080 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.446 2.242 10.924 1.00 0.00 N ATOM 0 H GLN A 69 14.160 3.711 6.795 1.00 0.00 H new ATOM 0 HA GLN A 69 11.749 2.638 7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.614 3.488 9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.311 5.113 8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.192 5.093 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.902 4.785 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.385 2.447 10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.271 1.386 11.451 1.00 0.00 H new ATOM 1137 N GLU A 70 11.684 5.534 6.255 1.00 0.00 N ATOM 1138 CA GLU A 70 10.834 6.514 5.605 1.00 0.00 C ATOM 1139 C GLU A 70 10.017 5.850 4.511 1.00 0.00 C ATOM 1140 O GLU A 70 8.881 6.245 4.233 1.00 0.00 O ATOM 1141 CB GLU A 70 11.681 7.647 5.040 1.00 0.00 C ATOM 1142 CG GLU A 70 12.346 8.473 6.123 1.00 0.00 C ATOM 1143 CD GLU A 70 13.253 9.549 5.574 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.178 9.838 4.364 1.00 0.00 O ATOM 1145 OE2 GLU A 70 14.049 10.109 6.354 1.00 0.00 O ATOM 0 H GLU A 70 12.680 5.661 6.073 1.00 0.00 H new ATOM 0 HA GLU A 70 10.146 6.934 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.446 7.232 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.053 8.295 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.578 8.935 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.924 7.814 6.771 1.00 0.00 H new ATOM 1152 N PHE A 71 10.604 4.834 3.896 1.00 0.00 N ATOM 1153 CA PHE A 71 9.875 4.000 2.960 1.00 0.00 C ATOM 1154 C PHE A 71 8.791 3.222 3.698 1.00 0.00 C ATOM 1155 O PHE A 71 7.626 3.261 3.308 1.00 0.00 O ATOM 1156 CB PHE A 71 10.824 3.047 2.221 1.00 0.00 C ATOM 1157 CG PHE A 71 10.142 1.818 1.681 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.523 1.845 0.444 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.121 0.640 2.412 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.894 0.720 -0.055 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.492 -0.485 1.920 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.878 -0.446 0.685 1.00 0.00 C ATOM 0 H PHE A 71 11.580 4.570 4.029 1.00 0.00 H new ATOM 0 HA PHE A 71 9.403 4.640 2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.295 3.583 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.621 2.742 2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.531 2.755 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.603 0.603 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.415 0.753 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.480 -1.395 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.386 -1.326 0.298 1.00 0.00 H new ATOM 1172 N ALA A 72 9.184 2.528 4.770 1.00 0.00 N ATOM 1173 CA ALA A 72 8.249 1.769 5.589 1.00 0.00 C ATOM 1174 C ALA A 72 7.124 2.661 6.085 1.00 0.00 C ATOM 1175 O ALA A 72 5.966 2.248 6.136 1.00 0.00 O ATOM 1176 CB ALA A 72 8.974 1.123 6.758 1.00 0.00 C ATOM 0 H ALA A 72 10.152 2.480 5.088 1.00 0.00 H new ATOM 0 HA ALA A 72 7.813 0.982 4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.262 0.559 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.744 0.450 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.437 1.896 7.371 1.00 0.00 H new ATOM 1182 N ALA A 73 7.481 3.891 6.433 1.00 0.00 N ATOM 1183 CA ALA A 73 6.518 4.899 6.838 1.00 0.00 C ATOM 1184 C ALA A 73 5.436 5.068 5.774 1.00 0.00 C ATOM 1185 O ALA A 73 4.240 5.021 6.068 1.00 0.00 O ATOM 1186 CB ALA A 73 7.235 6.219 7.086 1.00 0.00 C ATOM 0 H ALA A 73 8.448 4.215 6.441 1.00 0.00 H new ATOM 0 HA ALA A 73 6.035 4.577 7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.511 6.975 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.976 6.088 7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.732 6.540 6.171 1.00 0.00 H new ATOM 1192 N ASP A 74 5.872 5.213 4.532 1.00 0.00 N ATOM 1193 CA ASP A 74 4.969 5.514 3.425 1.00 0.00 C ATOM 1194 C ASP A 74 4.170 4.280 2.994 1.00 0.00 C ATOM 1195 O ASP A 74 2.953 4.355 2.799 1.00 0.00 O ATOM 1196 CB ASP A 74 5.773 6.068 2.245 1.00 0.00 C ATOM 1197 CG ASP A 74 5.077 7.223 1.555 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.465 8.059 2.255 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.180 7.332 0.318 1.00 0.00 O ATOM 0 H ASP A 74 6.852 5.127 4.262 1.00 0.00 H new ATOM 0 HA ASP A 74 4.253 6.263 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.750 6.397 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.947 5.270 1.523 1.00 0.00 H new ATOM 1204 N VAL A 75 4.849 3.141 2.862 1.00 0.00 N ATOM 1205 CA VAL A 75 4.200 1.913 2.397 1.00 0.00 C ATOM 1206 C VAL A 75 3.229 1.348 3.436 1.00 0.00 C ATOM 1207 O VAL A 75 2.133 0.907 3.086 1.00 0.00 O ATOM 1208 CB VAL A 75 5.226 0.821 1.988 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.240 0.578 3.087 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.530 -0.483 1.617 1.00 0.00 C ATOM 0 H VAL A 75 5.843 3.042 3.069 1.00 0.00 H new ATOM 0 HA VAL A 75 3.633 2.196 1.510 1.00 0.00 H new ATOM 0 HB VAL A 75 5.754 1.190 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.944 -0.192 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.781 1.501 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.726 0.249 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.276 -1.226 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.959 -0.847 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.856 -0.310 0.778 1.00 0.00 H new ATOM 1220 N ARG A 76 3.600 1.368 4.711 1.00 0.00 N ATOM 1221 CA ARG A 76 2.709 0.826 5.729 1.00 0.00 C ATOM 1222 C ARG A 76 1.525 1.768 5.927 1.00 0.00 C ATOM 1223 O ARG A 76 0.438 1.332 6.301 1.00 0.00 O ATOM 1224 CB ARG A 76 3.436 0.556 7.054 1.00 0.00 C ATOM 1225 CG ARG A 76 3.347 1.689 8.062 1.00 0.00 C ATOM 1226 CD ARG A 76 4.043 1.341 9.370 1.00 0.00 C ATOM 1227 NE ARG A 76 4.028 2.461 10.308 1.00 0.00 N ATOM 1228 CZ ARG A 76 3.996 2.330 11.633 1.00 0.00 C ATOM 1229 NH1 ARG A 76 3.988 1.125 12.192 1.00 0.00 N ATOM 1230 NH2 ARG A 76 3.987 3.410 12.399 1.00 0.00 N ATOM 0 H ARG A 76 4.484 1.741 5.057 1.00 0.00 H new ATOM 0 HA ARG A 76 2.342 -0.139 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.023 -0.347 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.486 0.355 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.797 2.587 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.300 1.919 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.553 0.480 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.074 1.051 9.167 1.00 0.00 H new ATOM 0 HE ARG A 76 4.043 3.405 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.006 0.291 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.963 1.034 13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.005 4.337 11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.963 3.315 13.414 1.00 0.00 H new ATOM 1244 N LEU A 77 1.735 3.058 5.656 1.00 0.00 N ATOM 1245 CA LEU A 77 0.648 4.029 5.660 1.00 0.00 C ATOM 1246 C LEU A 77 -0.372 3.675 4.585 1.00 0.00 C ATOM 1247 O LEU A 77 -1.575 3.877 4.763 1.00 0.00 O ATOM 1248 CB LEU A 77 1.191 5.434 5.418 1.00 0.00 C ATOM 1249 CG LEU A 77 0.900 6.445 6.525 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.422 7.808 6.130 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.591 6.498 6.819 1.00 0.00 C ATOM 0 H LEU A 77 2.649 3.451 5.431 1.00 0.00 H new ATOM 0 HA LEU A 77 0.162 4.004 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.271 5.370 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.773 5.812 4.485 1.00 0.00 H new ATOM 0 HG LEU A 77 1.411 6.130 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.210 8.523 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.499 7.753 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.934 8.132 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.780 7.223 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.129 6.794 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.934 5.514 7.139 1.00 0.00 H new ATOM 1263 N MET A 78 0.120 3.144 3.472 1.00 0.00 N ATOM 1264 CA MET A 78 -0.744 2.657 2.400 1.00 0.00 C ATOM 1265 C MET A 78 -1.657 1.551 2.930 1.00 0.00 C ATOM 1266 O MET A 78 -2.874 1.597 2.754 1.00 0.00 O ATOM 1267 CB MET A 78 0.103 2.138 1.235 1.00 0.00 C ATOM 1268 CG MET A 78 -0.680 1.673 0.008 1.00 0.00 C ATOM 1269 SD MET A 78 0.401 0.892 -1.201 1.00 0.00 S ATOM 1270 CE MET A 78 1.090 -0.440 -0.217 1.00 0.00 C ATOM 0 H MET A 78 1.117 3.039 3.287 1.00 0.00 H new ATOM 0 HA MET A 78 -1.362 3.479 2.039 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.790 2.927 0.928 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.711 1.307 1.593 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.455 0.970 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.184 2.525 -0.449 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.422 -1.244 -0.874 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.938 -0.067 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.329 -0.820 0.465 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.068 0.572 3.610 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.854 -0.507 4.202 1.00 0.00 C ATOM 1282 C PHE A 79 -2.763 0.026 5.319 1.00 0.00 C ATOM 1283 O PHE A 79 -3.878 -0.464 5.515 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.946 -1.621 4.743 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.091 -2.275 3.690 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.664 -2.869 2.577 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.288 -2.299 3.821 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.123 -3.469 1.611 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.080 -2.898 2.861 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.501 -3.484 1.753 1.00 0.00 C ATOM 0 H PHE A 79 -0.062 0.502 3.764 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.481 -0.927 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.299 -1.206 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.565 -2.382 5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.738 -2.863 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.750 -1.844 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.336 -3.925 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.154 -2.908 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.119 -3.952 1.001 1.00 0.00 H new ATOM 1300 N SER A 80 -2.293 1.049 6.029 1.00 0.00 N ATOM 1301 CA SER A 80 -3.043 1.627 7.134 1.00 0.00 C ATOM 1302 C SER A 80 -4.303 2.346 6.650 1.00 0.00 C ATOM 1303 O SER A 80 -5.369 2.197 7.251 1.00 0.00 O ATOM 1304 CB SER A 80 -2.158 2.588 7.932 1.00 0.00 C ATOM 1305 OG SER A 80 -1.019 1.917 8.454 1.00 0.00 O ATOM 0 H SER A 80 -1.392 1.494 5.855 1.00 0.00 H new ATOM 0 HA SER A 80 -3.358 0.809 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.838 3.410 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.733 3.025 8.748 1.00 0.00 H new ATOM 0 HG SER A 80 -0.424 1.662 7.718 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.197 3.118 5.561 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.366 3.828 5.044 1.00 0.00 C ATOM 1313 C ASN A 81 -6.402 2.828 4.530 1.00 0.00 C ATOM 1314 O ASN A 81 -7.606 3.062 4.635 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.010 4.872 3.955 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.578 4.278 2.625 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.400 3.805 1.845 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.294 4.364 2.330 1.00 0.00 N ATOM 0 H ASN A 81 -3.336 3.263 5.034 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.792 4.392 5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.876 5.512 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.210 5.510 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.955 4.031 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.641 4.763 3.005 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.930 1.693 4.014 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.825 0.621 3.583 1.00 0.00 C ATOM 1327 C CYS A 82 -7.675 0.116 4.748 1.00 0.00 C ATOM 1328 O CYS A 82 -8.876 -0.118 4.587 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.032 -0.546 2.987 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.971 -0.097 1.595 1.00 0.00 S ATOM 0 H CYS A 82 -4.938 1.493 3.885 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.483 1.032 2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.415 -0.987 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.732 -1.315 2.661 1.00 0.00 H new ATOM 0 HG CYS A 82 -4.177 0.870 1.949 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.054 -0.050 5.922 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.780 -0.530 7.098 1.00 0.00 C ATOM 1338 C TYR A 83 -8.738 0.528 7.627 1.00 0.00 C ATOM 1339 O TYR A 83 -9.711 0.203 8.307 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.836 -0.942 8.235 1.00 0.00 C ATOM 1341 CG TYR A 83 -5.907 -2.102 7.917 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.317 -3.137 7.082 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.622 -2.177 8.467 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.486 -4.205 6.807 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.791 -3.242 8.190 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.225 -4.251 7.364 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.392 -5.314 7.094 1.00 0.00 O ATOM 0 H TYR A 83 -6.064 0.139 6.080 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.339 -1.405 6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.231 -0.079 8.514 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.436 -1.206 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.302 -3.104 6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.276 -1.388 9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.822 -5.001 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.802 -3.283 8.621 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.541 -5.190 7.564 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.455 1.792 7.334 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.338 2.874 7.749 1.00 0.00 C ATOM 1359 C LYS A 84 -10.644 2.810 6.986 1.00 0.00 C ATOM 1360 O LYS A 84 -11.725 2.841 7.573 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.711 4.246 7.505 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.538 4.579 8.404 1.00 0.00 C ATOM 1363 CD LYS A 84 -7.019 5.982 8.122 1.00 0.00 C ATOM 1364 CE LYS A 84 -8.128 7.027 8.229 1.00 0.00 C ATOM 1365 NZ LYS A 84 -8.767 7.028 9.573 1.00 0.00 N ATOM 0 H LYS A 84 -7.629 2.091 6.816 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.511 2.747 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.382 4.300 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.479 5.009 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.841 4.502 9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.739 3.854 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.222 6.224 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.583 6.015 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.716 8.015 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.884 6.832 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.417 7.837 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.298 6.144 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.033 7.104 10.306 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.531 2.710 5.672 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.686 2.807 4.809 1.00 0.00 C ATOM 1381 C TYR A 85 -12.534 1.550 4.877 1.00 0.00 C ATOM 1382 O TYR A 85 -13.701 1.588 5.270 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.262 3.046 3.364 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.448 3.336 2.475 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -13.081 4.554 2.591 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.951 2.417 1.555 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.181 4.872 1.825 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -14.053 2.728 0.781 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.664 3.957 0.922 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.756 4.277 0.153 1.00 0.00 O ATOM 0 H TYR A 85 -9.648 2.562 5.183 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.279 3.652 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.563 3.882 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.733 2.170 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.706 5.277 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.475 1.454 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.660 5.834 1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.434 2.012 0.068 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.001 5.214 0.306 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.928 0.444 4.504 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.640 -0.809 4.357 1.00 0.00 C ATOM 1402 C ASN A 86 -12.817 -1.479 5.708 1.00 0.00 C ATOM 1403 O ASN A 86 -11.859 -1.604 6.476 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.871 -1.738 3.413 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.568 -1.096 2.076 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.348 -1.200 1.132 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.419 -0.443 1.980 1.00 0.00 N ATOM 0 H ASN A 86 -10.931 0.387 4.294 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.624 -0.604 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.936 -2.038 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.452 -2.646 3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.154 -0.004 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.799 -0.380 2.788 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.050 -1.895 6.031 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.330 -2.643 7.253 1.00 0.00 C ATOM 1416 C PRO A 87 -13.533 -3.945 7.293 1.00 0.00 C ATOM 1417 O PRO A 87 -13.159 -4.485 6.249 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.838 -2.928 7.188 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.242 -2.659 5.779 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.265 -1.655 5.238 1.00 0.00 C ATOM 0 HA PRO A 87 -14.048 -2.091 8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.053 -3.960 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.387 -2.290 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.223 -3.575 5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.260 -2.272 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.085 -1.804 4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.629 -0.635 5.360 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.265 -4.449 8.514 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.382 -5.607 8.762 1.00 0.00 C ATOM 1430 C PRO A 88 -12.734 -6.847 7.945 1.00 0.00 C ATOM 1431 O PRO A 88 -11.919 -7.760 7.815 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.570 -5.897 10.256 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.768 -5.111 10.671 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.804 -3.916 9.773 1.00 0.00 C ATOM 0 HA PRO A 88 -11.358 -5.373 8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.720 -6.962 10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.690 -5.600 10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.678 -5.703 10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.696 -4.812 11.717 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.816 -3.531 9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.196 -3.098 10.161 1.00 0.00 H new ATOM 1442 N ASP A 89 -13.951 -6.888 7.429 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.366 -7.963 6.533 1.00 0.00 C ATOM 1444 C ASP A 89 -14.593 -7.415 5.125 1.00 0.00 C ATOM 1445 O ASP A 89 -15.709 -7.039 4.763 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.640 -8.647 7.050 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.019 -9.865 6.231 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -15.337 -10.906 6.353 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -17.014 -9.795 5.478 1.00 0.00 O ATOM 0 H ASP A 89 -14.672 -6.190 7.613 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.571 -8.708 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.493 -8.943 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.463 -7.933 7.035 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.522 -7.345 4.344 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.601 -6.877 2.964 1.00 0.00 C ATOM 1456 C HIS A 90 -12.361 -7.341 2.202 1.00 0.00 C ATOM 1457 O HIS A 90 -11.305 -7.503 2.805 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.695 -5.344 2.906 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.450 -4.814 1.708 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.823 -4.408 0.549 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.780 -4.619 1.489 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.724 -3.991 -0.320 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.914 -4.111 0.224 1.00 0.00 N ATOM 0 H HIS A 90 -12.583 -7.608 4.644 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.499 -7.293 2.507 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.180 -4.986 3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.687 -4.929 2.899 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.580 -4.826 2.184 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.518 -3.615 -1.311 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.797 -3.865 -0.224 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.469 -7.551 0.896 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.346 -8.096 0.121 1.00 0.00 C ATOM 1474 C ASP A 91 -10.059 -7.292 0.312 1.00 0.00 C ATOM 1475 O ASP A 91 -8.984 -7.865 0.493 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.683 -8.162 -1.371 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.637 -9.292 -1.711 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.798 -9.014 -2.073 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.230 -10.471 -1.615 1.00 0.00 O ATOM 0 H ASP A 91 -13.309 -7.357 0.351 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.177 -9.103 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.124 -7.215 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.762 -8.286 -1.941 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.173 -5.967 0.312 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.992 -5.103 0.322 1.00 0.00 C ATOM 1486 C VAL A 92 -8.226 -5.206 1.634 1.00 0.00 C ATOM 1487 O VAL A 92 -7.014 -5.029 1.655 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.330 -3.622 0.052 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.358 -3.036 -0.949 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.750 -3.464 -0.444 1.00 0.00 C ATOM 0 H VAL A 92 -11.063 -5.469 0.305 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.365 -5.465 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.240 -3.081 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.608 -1.991 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.344 -3.103 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.420 -3.591 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.957 -2.409 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.876 -4.023 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.442 -3.846 0.306 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.918 -5.507 2.728 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.241 -5.633 4.011 1.00 0.00 C ATOM 1502 C VAL A 93 -7.561 -6.992 4.105 1.00 0.00 C ATOM 1503 O VAL A 93 -6.470 -7.111 4.654 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.187 -5.424 5.222 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -9.928 -4.107 5.094 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.173 -6.565 5.374 1.00 0.00 C ATOM 0 H VAL A 93 -9.925 -5.665 2.753 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.497 -4.838 4.057 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.567 -5.402 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.588 -3.976 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.210 -3.287 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.520 -4.110 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.816 -6.378 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.783 -6.641 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.630 -7.498 5.523 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.199 -8.006 3.532 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.626 -9.344 3.484 1.00 0.00 C ATOM 1518 C ALA A 94 -6.375 -9.351 2.615 1.00 0.00 C ATOM 1519 O ALA A 94 -5.368 -9.973 2.960 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.648 -10.345 2.965 1.00 0.00 C ATOM 0 H ALA A 94 -9.116 -7.925 3.093 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.345 -9.639 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.202 -11.339 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.515 -10.356 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.961 -10.058 1.961 1.00 0.00 H new ATOM 1526 N MET A 95 -6.438 -8.644 1.493 1.00 0.00 N ATOM 1527 CA MET A 95 -5.286 -8.501 0.612 1.00 0.00 C ATOM 1528 C MET A 95 -4.205 -7.656 1.287 1.00 0.00 C ATOM 1529 O MET A 95 -3.013 -7.929 1.142 1.00 0.00 O ATOM 1530 CB MET A 95 -5.698 -7.882 -0.734 1.00 0.00 C ATOM 1531 CG MET A 95 -6.593 -8.783 -1.585 1.00 0.00 C ATOM 1532 SD MET A 95 -6.846 -8.143 -3.257 1.00 0.00 S ATOM 1533 CE MET A 95 -8.349 -7.192 -3.054 1.00 0.00 C ATOM 0 H MET A 95 -7.276 -8.160 1.172 1.00 0.00 H new ATOM 0 HA MET A 95 -4.879 -9.493 0.415 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.219 -6.943 -0.546 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.799 -7.640 -1.301 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.149 -9.776 -1.645 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.560 -8.895 -1.094 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.172 -7.700 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.577 -7.095 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.214 -6.201 -3.488 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.630 -6.653 2.057 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.695 -5.791 2.776 1.00 0.00 C ATOM 1545 C ALA A 96 -2.987 -6.566 3.878 1.00 0.00 C ATOM 1546 O ALA A 96 -1.815 -6.334 4.150 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.410 -4.584 3.364 1.00 0.00 C ATOM 0 H ALA A 96 -5.613 -6.419 2.198 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.951 -5.438 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.692 -3.958 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.871 -4.008 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.180 -4.920 4.058 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.711 -7.481 4.514 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.158 -8.286 5.602 1.00 0.00 C ATOM 1555 C ARG A 97 -2.107 -9.263 5.092 1.00 0.00 C ATOM 1556 O ARG A 97 -1.055 -9.442 5.706 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.267 -9.055 6.319 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.186 -8.169 7.144 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.315 -8.966 7.772 1.00 0.00 C ATOM 1560 NE ARG A 97 -5.818 -9.996 8.680 1.00 0.00 N ATOM 1561 CZ ARG A 97 -6.488 -11.108 8.980 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.702 -11.314 8.477 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -5.952 -12.008 9.795 1.00 0.00 N ATOM 0 H ARG A 97 -4.686 -7.686 4.295 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.682 -7.602 6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.861 -9.592 5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.816 -9.803 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.610 -7.675 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.602 -7.385 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.976 -8.291 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.911 -9.432 6.987 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.904 -9.856 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.123 -10.620 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.212 -12.166 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.026 -11.849 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.466 -12.859 10.024 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.398 -9.907 3.975 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.473 -10.874 3.405 1.00 0.00 C ATOM 1579 C LYS A 98 -0.223 -10.179 2.853 1.00 0.00 C ATOM 1580 O LYS A 98 0.907 -10.621 3.098 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.163 -11.691 2.315 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.281 -12.789 1.752 1.00 0.00 C ATOM 1583 CD LYS A 98 -1.981 -13.584 0.669 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.037 -14.594 0.047 1.00 0.00 C ATOM 1585 NZ LYS A 98 -0.359 -15.429 1.074 1.00 0.00 N ATOM 0 H LYS A 98 -3.261 -9.780 3.447 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.156 -11.552 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.072 -12.135 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.467 -11.026 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.370 -12.349 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.980 -13.460 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.845 -14.098 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.356 -12.908 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.593 -15.238 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.288 -14.072 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.072 -16.258 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.381 -14.869 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.055 -15.744 1.780 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.426 -9.097 2.106 1.00 0.00 N ATOM 1600 CA LEU A 99 0.683 -8.269 1.640 1.00 0.00 C ATOM 1601 C LEU A 99 1.441 -7.650 2.812 1.00 0.00 C ATOM 1602 O LEU A 99 2.631 -7.352 2.703 1.00 0.00 O ATOM 1603 CB LEU A 99 0.205 -7.157 0.702 1.00 0.00 C ATOM 1604 CG LEU A 99 0.281 -7.431 -0.812 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.839 -6.213 -1.509 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.155 -8.627 -1.145 1.00 0.00 C ATOM 0 H LEU A 99 -1.347 -8.773 1.811 1.00 0.00 H new ATOM 0 HA LEU A 99 1.353 -8.927 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.831 -6.926 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.791 -6.262 0.913 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.730 -7.653 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.895 -6.401 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.189 -5.358 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.837 -5.999 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.173 -8.775 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.169 -8.448 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.751 -9.518 -0.664 1.00 0.00 H new ATOM 1618 N GLN A 100 0.752 -7.445 3.927 1.00 0.00 N ATOM 1619 CA GLN A 100 1.403 -6.970 5.139 1.00 0.00 C ATOM 1620 C GLN A 100 2.441 -7.988 5.590 1.00 0.00 C ATOM 1621 O GLN A 100 3.535 -7.623 6.002 1.00 0.00 O ATOM 1622 CB GLN A 100 0.376 -6.736 6.254 1.00 0.00 C ATOM 1623 CG GLN A 100 0.969 -6.217 7.557 1.00 0.00 C ATOM 1624 CD GLN A 100 1.656 -4.874 7.406 1.00 0.00 C ATOM 1625 OE1 GLN A 100 1.033 -3.824 7.549 1.00 0.00 O ATOM 1626 NE2 GLN A 100 2.948 -4.899 7.126 1.00 0.00 N ATOM 0 H GLN A 100 -0.252 -7.599 4.017 1.00 0.00 H new ATOM 0 HA GLN A 100 1.893 -6.020 4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.371 -6.025 5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.145 -7.672 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.177 -6.131 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.686 -6.944 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.429 -5.792 7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.464 -4.025 7.021 1.00 0.00 H new ATOM 1635 N ASP A 101 2.091 -9.267 5.478 1.00 0.00 N ATOM 1636 CA ASP A 101 2.981 -10.350 5.886 1.00 0.00 C ATOM 1637 C ASP A 101 4.264 -10.361 5.058 1.00 0.00 C ATOM 1638 O ASP A 101 5.360 -10.444 5.611 1.00 0.00 O ATOM 1639 CB ASP A 101 2.279 -11.705 5.777 1.00 0.00 C ATOM 1640 CG ASP A 101 3.178 -12.852 6.198 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.786 -13.493 5.316 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.289 -13.114 7.414 1.00 0.00 O ATOM 0 H ASP A 101 1.194 -9.579 5.107 1.00 0.00 H new ATOM 0 HA ASP A 101 3.247 -10.174 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.384 -11.700 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.951 -11.861 4.749 1.00 0.00 H new ATOM 1647 N VAL A 102 4.135 -10.274 3.735 1.00 0.00 N ATOM 1648 CA VAL A 102 5.319 -10.252 2.877 1.00 0.00 C ATOM 1649 C VAL A 102 6.156 -9.005 3.142 1.00 0.00 C ATOM 1650 O VAL A 102 7.336 -9.107 3.467 1.00 0.00 O ATOM 1651 CB VAL A 102 4.979 -10.372 1.365 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.821 -9.499 0.978 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.175 -10.036 0.488 1.00 0.00 C ATOM 0 H VAL A 102 3.244 -10.219 3.242 1.00 0.00 H new ATOM 0 HA VAL A 102 5.903 -11.135 3.135 1.00 0.00 H new ATOM 0 HB VAL A 102 4.702 -11.414 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.618 -9.614 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.939 -9.790 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.063 -8.458 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.895 -10.132 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.495 -9.013 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.993 -10.722 0.710 1.00 0.00 H new ATOM 1663 N PHE A 103 5.536 -7.835 3.044 1.00 0.00 N ATOM 1664 CA PHE A 103 6.237 -6.579 3.288 1.00 0.00 C ATOM 1665 C PHE A 103 6.884 -6.559 4.681 1.00 0.00 C ATOM 1666 O PHE A 103 8.025 -6.116 4.827 1.00 0.00 O ATOM 1667 CB PHE A 103 5.293 -5.379 3.087 1.00 0.00 C ATOM 1668 CG PHE A 103 5.701 -4.142 3.857 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.920 -3.529 3.599 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.883 -3.603 4.849 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.316 -2.414 4.309 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.278 -2.485 5.556 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.494 -1.893 5.288 1.00 0.00 C ATOM 0 H PHE A 103 4.552 -7.729 2.798 1.00 0.00 H new ATOM 0 HA PHE A 103 7.042 -6.497 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.251 -5.136 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.286 -5.667 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.567 -3.930 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.931 -4.065 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.268 -1.949 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.634 -2.074 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.804 -1.021 5.845 1.00 0.00 H new ATOM 1683 N GLU A 104 6.187 -7.077 5.690 1.00 0.00 N ATOM 1684 CA GLU A 104 6.716 -7.047 7.054 1.00 0.00 C ATOM 1685 C GLU A 104 7.921 -7.974 7.179 1.00 0.00 C ATOM 1686 O GLU A 104 8.895 -7.640 7.846 1.00 0.00 O ATOM 1687 CB GLU A 104 5.650 -7.407 8.108 1.00 0.00 C ATOM 1688 CG GLU A 104 5.461 -8.900 8.354 1.00 0.00 C ATOM 1689 CD GLU A 104 4.522 -9.189 9.505 1.00 0.00 C ATOM 1690 OE1 GLU A 104 3.309 -9.356 9.265 1.00 0.00 O ATOM 1691 OE2 GLU A 104 4.998 -9.261 10.660 1.00 0.00 O ATOM 0 H GLU A 104 5.271 -7.515 5.594 1.00 0.00 H new ATOM 0 HA GLU A 104 7.029 -6.022 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.918 -6.930 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.696 -6.982 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.073 -9.367 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.430 -9.356 8.558 1.00 0.00 H new ATOM 1698 N PHE A 105 7.859 -9.130 6.519 1.00 0.00 N ATOM 1699 CA PHE A 105 8.967 -10.077 6.539 1.00 0.00 C ATOM 1700 C PHE A 105 10.165 -9.481 5.822 1.00 0.00 C ATOM 1701 O PHE A 105 11.293 -9.573 6.294 1.00 0.00 O ATOM 1702 CB PHE A 105 8.574 -11.397 5.869 1.00 0.00 C ATOM 1703 CG PHE A 105 9.628 -12.472 5.963 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.573 -13.422 6.968 1.00 0.00 C ATOM 1705 CD2 PHE A 105 10.672 -12.537 5.043 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.532 -14.413 7.058 1.00 0.00 C ATOM 1707 CE2 PHE A 105 11.631 -13.526 5.132 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.561 -14.466 6.140 1.00 0.00 C ATOM 0 H PHE A 105 7.056 -9.430 5.967 1.00 0.00 H new ATOM 0 HA PHE A 105 9.223 -10.280 7.579 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.654 -11.764 6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.356 -11.208 4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.771 -13.388 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.732 -11.805 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.476 -15.147 7.848 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.436 -13.564 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.310 -15.241 6.210 1.00 0.00 H new ATOM 1718 N ARG A 106 9.901 -8.863 4.679 1.00 0.00 N ATOM 1719 CA ARG A 106 10.937 -8.247 3.874 1.00 0.00 C ATOM 1720 C ARG A 106 11.646 -7.159 4.670 1.00 0.00 C ATOM 1721 O ARG A 106 12.870 -7.039 4.629 1.00 0.00 O ATOM 1722 CB ARG A 106 10.324 -7.646 2.606 1.00 0.00 C ATOM 1723 CG ARG A 106 9.859 -8.635 1.536 1.00 0.00 C ATOM 1724 CD ARG A 106 9.714 -10.047 2.047 1.00 0.00 C ATOM 1725 NE ARG A 106 9.187 -10.938 1.019 1.00 0.00 N ATOM 1726 CZ ARG A 106 8.725 -12.169 1.244 1.00 0.00 C ATOM 1727 NH1 ARG A 106 8.778 -12.699 2.460 1.00 0.00 N ATOM 1728 NH2 ARG A 106 8.202 -12.863 0.245 1.00 0.00 N ATOM 0 H ARG A 106 8.963 -8.777 4.288 1.00 0.00 H new ATOM 0 HA ARG A 106 11.664 -9.010 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.471 -7.033 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.058 -6.978 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.902 -8.302 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.571 -8.627 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.683 -10.414 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.051 -10.055 2.912 1.00 0.00 H new ATOM 0 HE ARG A 106 9.171 -10.595 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.175 -12.164 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.422 -13.641 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.154 -12.456 -0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.847 -13.805 0.409 1.00 0.00 H new ATOM 1742 N TYR A 107 10.867 -6.373 5.403 1.00 0.00 N ATOM 1743 CA TYR A 107 11.423 -5.287 6.205 1.00 0.00 C ATOM 1744 C TYR A 107 12.085 -5.825 7.474 1.00 0.00 C ATOM 1745 O TYR A 107 13.101 -5.297 7.920 1.00 0.00 O ATOM 1746 CB TYR A 107 10.342 -4.254 6.562 1.00 0.00 C ATOM 1747 CG TYR A 107 10.904 -2.974 7.150 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.317 -1.923 6.336 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.039 -2.827 8.524 1.00 0.00 C ATOM 1750 CE1 TYR A 107 11.847 -0.771 6.878 1.00 0.00 C ATOM 1751 CE2 TYR A 107 11.563 -1.675 9.071 1.00 0.00 C ATOM 1752 CZ TYR A 107 11.966 -0.650 8.244 1.00 0.00 C ATOM 1753 OH TYR A 107 12.492 0.497 8.782 1.00 0.00 O ATOM 0 H TYR A 107 9.853 -6.465 5.460 1.00 0.00 H new ATOM 0 HA TYR A 107 12.185 -4.791 5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.770 -4.013 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.647 -4.698 7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.221 -2.011 5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.728 -3.630 9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.168 0.034 6.233 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.657 -1.577 10.142 1.00 0.00 H new ATOM 0 HH TYR A 107 13.137 0.887 8.155 1.00 0.00 H new ATOM 1763 N ALA A 108 11.510 -6.873 8.054 1.00 0.00 N ATOM 1764 CA ALA A 108 12.087 -7.505 9.237 1.00 0.00 C ATOM 1765 C ALA A 108 13.420 -8.160 8.900 1.00 0.00 C ATOM 1766 O ALA A 108 14.367 -8.136 9.690 1.00 0.00 O ATOM 1767 CB ALA A 108 11.124 -8.533 9.810 1.00 0.00 C ATOM 0 H ALA A 108 10.646 -7.303 7.725 1.00 0.00 H new ATOM 0 HA ALA A 108 12.262 -6.734 9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.568 -8.996 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.191 -8.042 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 108 10.921 -9.299 9.061 1.00 0.00 H new ATOM 1773 N LYS A 109 13.477 -8.745 7.714 1.00 0.00 N ATOM 1774 CA LYS A 109 14.689 -9.358 7.199 1.00 0.00 C ATOM 1775 C LYS A 109 15.709 -8.280 6.836 1.00 0.00 C ATOM 1776 O LYS A 109 16.920 -8.509 6.858 1.00 0.00 O ATOM 1777 CB LYS A 109 14.333 -10.207 5.978 1.00 0.00 C ATOM 1778 CG LYS A 109 15.524 -10.888 5.323 1.00 0.00 C ATOM 1779 CD LYS A 109 15.110 -11.721 4.115 1.00 0.00 C ATOM 1780 CE LYS A 109 16.301 -12.070 3.244 1.00 0.00 C ATOM 1781 NZ LYS A 109 17.383 -12.739 4.017 1.00 0.00 N ATOM 0 H LYS A 109 12.680 -8.808 7.080 1.00 0.00 H new ATOM 0 HA LYS A 109 15.135 -9.998 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.613 -10.968 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.840 -9.574 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 109 16.248 -10.134 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.022 -11.528 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.625 -12.637 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.377 -11.170 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.978 -12.723 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.692 -11.162 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.116 -13.081 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.803 -12.061 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.987 -13.543 4.544 1.00 0.00 H new ATOM 1795 N MET A 110 15.198 -7.101 6.515 1.00 0.00 N ATOM 1796 CA MET A 110 16.032 -5.951 6.189 1.00 0.00 C ATOM 1797 C MET A 110 16.719 -5.400 7.440 1.00 0.00 C ATOM 1798 O MET A 110 16.056 -5.044 8.413 1.00 0.00 O ATOM 1799 CB MET A 110 15.182 -4.860 5.512 1.00 0.00 C ATOM 1800 CG MET A 110 15.857 -3.502 5.418 1.00 0.00 C ATOM 1801 SD MET A 110 15.558 -2.485 6.876 1.00 0.00 S ATOM 1802 CE MET A 110 16.423 -0.999 6.407 1.00 0.00 C ATOM 0 H MET A 110 14.196 -6.913 6.473 1.00 0.00 H new ATOM 0 HA MET A 110 16.809 -6.273 5.496 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.921 -5.192 4.507 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.248 -4.750 6.064 1.00 0.00 H new ATOM 0 HG2 MET A 110 16.930 -3.641 5.289 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.494 -2.979 4.533 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.022 -0.153 6.965 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.484 -1.110 6.629 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.293 -0.824 5.339 1.00 0.00 H new ATOM 1812 N PRO A 111 18.061 -5.358 7.448 1.00 0.00 N ATOM 1813 CA PRO A 111 18.822 -4.752 8.530 1.00 0.00 C ATOM 1814 C PRO A 111 19.108 -3.267 8.288 1.00 0.00 C ATOM 1815 O PRO A 111 19.160 -2.809 7.140 1.00 0.00 O ATOM 1816 CB PRO A 111 20.113 -5.559 8.514 1.00 0.00 C ATOM 1817 CG PRO A 111 20.313 -5.944 7.083 1.00 0.00 C ATOM 1818 CD PRO A 111 18.951 -5.937 6.423 1.00 0.00 C ATOM 0 HA PRO A 111 18.289 -4.776 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 111 20.951 -4.969 8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.036 -6.439 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 111 20.985 -5.244 6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.771 -6.931 7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 111 18.952 -5.339 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.637 -6.943 6.144 1.00 0.00 H new ATOM 1826 N ASP A 112 19.289 -2.524 9.371 1.00 0.00 N ATOM 1827 CA ASP A 112 19.609 -1.103 9.287 1.00 0.00 C ATOM 1828 C ASP A 112 21.111 -0.897 9.360 1.00 0.00 C ATOM 1829 O ASP A 112 21.731 -1.385 10.330 1.00 0.00 O ATOM 1830 CB ASP A 112 18.933 -0.313 10.408 1.00 0.00 C ATOM 1831 CG ASP A 112 17.458 -0.082 10.166 1.00 0.00 C ATOM 1832 OD1 ASP A 112 16.638 -0.873 10.673 1.00 0.00 O ATOM 1833 OD2 ASP A 112 17.111 0.907 9.483 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.669 -0.237 8.461 1.00 0.00 O ATOM 0 H ASP A 112 19.220 -2.883 10.323 1.00 0.00 H new ATOM 0 HA ASP A 112 19.235 -0.737 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.061 -0.848 11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.432 0.650 10.518 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -26.201 8.388 10.026 1.00 0.00 N ATOM 1841 CA HIS B 281 -25.344 7.555 10.900 1.00 0.00 C ATOM 1842 C HIS B 281 -24.223 6.930 10.086 1.00 0.00 C ATOM 1843 O HIS B 281 -24.361 5.811 9.586 1.00 0.00 O ATOM 1844 CB HIS B 281 -26.162 6.450 11.582 1.00 0.00 C ATOM 1845 CG HIS B 281 -27.209 6.954 12.529 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -26.920 7.475 13.773 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -28.557 7.010 12.408 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -28.044 7.824 14.371 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -29.050 7.554 13.566 1.00 0.00 N ATOM 0 HA HIS B 281 -24.921 8.198 11.671 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -26.644 5.844 10.814 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -25.482 5.794 12.126 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -29.137 6.686 11.556 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -28.125 8.259 15.356 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -30.035 7.722 13.770 1.00 0.00 H new ATOM 1860 N ASN B 282 -23.118 7.667 9.957 1.00 0.00 N ATOM 1861 CA ASN B 282 -21.971 7.252 9.147 1.00 0.00 C ATOM 1862 C ASN B 282 -22.330 7.279 7.664 1.00 0.00 C ATOM 1863 O ASN B 282 -21.944 8.207 6.950 1.00 0.00 O ATOM 1864 CB ASN B 282 -21.462 5.857 9.548 1.00 0.00 C ATOM 1865 CG ASN B 282 -20.823 5.837 10.923 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -20.183 6.803 11.341 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -20.999 4.738 11.639 1.00 0.00 N ATOM 0 H ASN B 282 -22.993 8.571 10.413 1.00 0.00 H new ATOM 0 HA ASN B 282 -21.165 7.962 9.332 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -22.294 5.153 9.529 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -20.737 5.514 8.810 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -20.598 4.669 12.574 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -21.536 3.960 11.256 1.00 0.00 H new ATOM 1874 N LEU B 283 -23.086 6.270 7.224 1.00 0.00 N ATOM 1875 CA LEU B 283 -23.536 6.160 5.837 1.00 0.00 C ATOM 1876 C LEU B 283 -22.353 6.277 4.877 1.00 0.00 C ATOM 1877 O LEU B 283 -22.390 7.019 3.895 1.00 0.00 O ATOM 1878 CB LEU B 283 -24.596 7.231 5.539 1.00 0.00 C ATOM 1879 CG LEU B 283 -25.340 7.077 4.209 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -26.073 5.743 4.148 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -26.313 8.227 4.019 1.00 0.00 C ATOM 0 H LEU B 283 -23.403 5.506 7.821 1.00 0.00 H new ATOM 0 HA LEU B 283 -23.989 5.179 5.691 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -25.328 7.226 6.346 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -24.113 8.208 5.553 1.00 0.00 H new ATOM 0 HG LEU B 283 -24.609 7.097 3.401 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -26.594 5.657 3.194 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -25.355 4.929 4.244 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -26.796 5.687 4.962 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -26.837 8.108 3.070 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -27.036 8.230 4.835 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -25.766 9.170 4.015 1.00 0.00 H new ATOM 1893 N LEU B 284 -21.299 5.543 5.184 1.00 0.00 N ATOM 1894 CA LEU B 284 -20.085 5.572 4.389 1.00 0.00 C ATOM 1895 C LEU B 284 -20.038 4.365 3.464 1.00 0.00 C ATOM 1896 O LEU B 284 -20.705 3.359 3.706 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.859 5.578 5.304 1.00 0.00 C ATOM 1898 CG LEU B 284 -18.766 6.764 6.267 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -17.546 6.630 7.165 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -18.719 8.075 5.500 1.00 0.00 C ATOM 0 H LEU B 284 -21.260 4.914 5.986 1.00 0.00 H new ATOM 0 HA LEU B 284 -20.080 6.480 3.786 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.857 4.657 5.887 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.963 5.564 4.683 1.00 0.00 H new ATOM 0 HG LEU B 284 -19.657 6.764 6.894 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -17.497 7.483 7.842 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.620 5.710 7.745 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -16.645 6.601 6.553 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -18.653 8.906 6.203 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -17.847 8.083 4.846 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -19.623 8.178 4.900 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.260 4.474 2.401 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.106 3.379 1.453 1.00 0.00 C ATOM 1914 C ARG B 285 -18.024 2.419 1.930 1.00 0.00 C ATOM 1915 O ARG B 285 -17.275 2.730 2.860 1.00 0.00 O ATOM 1916 CB ARG B 285 -18.760 3.910 0.061 1.00 0.00 C ATOM 1917 CG ARG B 285 -19.927 4.537 -0.688 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.356 5.844 -0.053 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.404 6.514 -0.812 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.660 7.814 -0.721 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -20.942 8.573 0.095 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.636 8.353 -1.439 1.00 0.00 N ATOM 0 H ARG B 285 -18.723 5.310 2.171 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.054 2.844 1.391 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -17.967 4.651 0.157 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.360 3.091 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -19.643 4.711 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.768 3.844 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.710 5.653 0.960 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.493 6.505 0.030 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.972 5.954 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -20.194 8.158 0.652 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -21.137 9.572 0.166 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.192 7.769 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -22.830 9.352 -1.367 1.00 0.00 H new ATOM 1936 N ILE B 286 -17.944 1.253 1.302 1.00 0.00 N ATOM 1937 CA ILE B 286 -16.984 0.233 1.708 1.00 0.00 C ATOM 1938 C ILE B 286 -16.119 -0.217 0.536 1.00 0.00 C ATOM 1939 O ILE B 286 -15.449 -1.244 0.624 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.688 -1.001 2.311 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -18.635 -1.627 1.285 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.441 -0.619 3.578 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.298 -2.899 1.761 1.00 0.00 C ATOM 0 H ILE B 286 -18.531 0.990 0.511 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.351 0.691 2.468 1.00 0.00 H new ATOM 0 HB ILE B 286 -16.931 -1.740 2.575 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.406 -0.901 1.027 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.078 -1.839 0.372 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.931 -1.501 3.990 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.741 -0.218 4.311 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.191 0.136 3.342 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -19.954 -3.282 0.979 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -18.535 -3.643 1.992 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -19.884 -2.691 2.656 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.616 2.245 0.511 1.00 0.00 O HETATM 1956 CH ALY B 287 -9.027 1.519 -0.287 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.501 1.418 -0.225 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.677 0.818 -1.206 1.00 0.00 N HETATM 1959 CE ALY B 287 -11.125 0.837 -1.367 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.590 -0.174 -2.401 1.00 0.00 C HETATM 1961 CG ALY B 287 -13.066 -0.023 -2.725 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.940 -0.069 -1.484 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.399 0.272 -1.775 1.00 0.00 C HETATM 1964 N ALY B 287 -16.151 0.562 -0.548 1.00 0.00 N HETATM 1965 C ALY B 287 -16.045 -0.856 -2.573 1.00 0.00 C HETATM 1966 O ALY B 287 -16.309 -1.939 -2.049 1.00 0.00 O HETATM 0 HH33 ALY B 287 -7.064 2.404 -0.385 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.201 1.042 0.753 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.150 0.736 -0.999 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.131 0.231 -1.837 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.368 -0.817 -3.408 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.226 0.922 -3.244 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.445 1.835 -1.665 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.600 0.623 -0.410 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.402 -1.182 -2.032 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -11.005 -0.054 -3.313 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.423 1.183 -2.374 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.549 0.629 -0.744 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.885 -1.064 -1.043 1.00 0.00 H new HETATM 0 H2 ALY B 287 -17.140 0.805 -0.602 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.279 -0.605 -3.853 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.912 -1.586 -4.720 1.00 0.00 C ATOM 1983 C GLN B 288 -15.859 -2.499 -5.353 1.00 0.00 C ATOM 1984 O GLN B 288 -15.701 -2.545 -6.573 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.734 -0.878 -5.801 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.657 -1.804 -6.579 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.422 -1.082 -7.669 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -18.960 -0.984 -8.806 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.593 -0.567 -7.335 1.00 0.00 N ATOM 0 H GLN B 288 -16.039 0.272 -4.314 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.582 -2.204 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -18.331 -0.094 -5.335 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.054 -0.389 -6.498 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.069 -2.607 -7.024 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -19.363 -2.269 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.942 -0.669 -6.382 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -21.147 -0.067 -8.030 1.00 0.00 H new ATOM 1998 N PHE B 289 -15.127 -3.209 -4.510 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.133 -4.168 -4.975 1.00 0.00 C ATOM 2000 C PHE B 289 -14.727 -5.568 -4.996 1.00 0.00 C ATOM 2001 O PHE B 289 -14.349 -6.430 -4.201 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.880 -4.137 -4.087 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.815 -3.176 -4.549 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.103 -2.188 -5.478 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.521 -3.264 -4.054 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.126 -1.311 -5.903 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.541 -2.386 -4.478 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.844 -1.408 -5.403 1.00 0.00 C ATOM 0 H PHE B 289 -15.202 -3.140 -3.495 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.839 -3.890 -5.987 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -13.175 -3.873 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.454 -5.140 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.104 -2.104 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.277 -4.027 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.365 -0.547 -6.628 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.538 -2.466 -4.085 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.080 -0.721 -5.735 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.666 -5.785 -5.902 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.339 -7.068 -6.009 1.00 0.00 C ATOM 2020 C LEU B 290 -15.895 -7.786 -7.280 1.00 0.00 C ATOM 2021 O LEU B 290 -16.579 -7.749 -8.306 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.858 -6.869 -6.003 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.686 -8.148 -5.864 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -18.419 -8.816 -4.523 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -20.167 -7.839 -6.022 1.00 0.00 C ATOM 0 H LEU B 290 -15.980 -5.087 -6.576 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.070 -7.684 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.116 -6.198 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.146 -6.369 -6.928 1.00 0.00 H new ATOM 0 HG LEU B 290 -18.390 -8.839 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -19.017 -9.724 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -17.362 -9.070 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -18.687 -8.133 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -20.743 -8.759 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -20.475 -7.131 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -20.345 -7.406 -7.006 1.00 0.00 H new ATOM 2037 N GLN B 291 -14.745 -8.436 -7.202 1.00 0.00 N ATOM 2038 CA GLN B 291 -14.160 -9.109 -8.354 1.00 0.00 C ATOM 2039 C GLN B 291 -14.720 -10.519 -8.496 1.00 0.00 C ATOM 2040 O GLN B 291 -14.003 -11.504 -8.304 1.00 0.00 O ATOM 2041 CB GLN B 291 -12.627 -9.162 -8.246 1.00 0.00 C ATOM 2042 CG GLN B 291 -11.952 -7.796 -8.280 1.00 0.00 C ATOM 2043 CD GLN B 291 -12.171 -6.985 -7.012 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -12.259 -5.758 -7.055 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -12.231 -7.659 -5.872 1.00 0.00 N ATOM 0 H GLN B 291 -14.194 -8.513 -6.347 1.00 0.00 H new ATOM 0 HA GLN B 291 -14.423 -8.534 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -12.356 -9.666 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -12.237 -9.768 -9.063 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -10.882 -7.931 -8.436 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -12.330 -7.233 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -12.154 -8.676 -5.876 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -12.354 -7.160 -4.991 1.00 0.00 H new ATOM 2054 N SER B 292 -16.008 -10.592 -8.824 1.00 0.00 N ATOM 2055 CA SER B 292 -16.699 -11.859 -9.035 1.00 0.00 C ATOM 2056 C SER B 292 -16.612 -12.747 -7.794 1.00 0.00 C ATOM 2057 O SER B 292 -17.316 -12.446 -6.805 1.00 0.00 O ATOM 2058 CB SER B 292 -16.126 -12.572 -10.263 1.00 0.00 C ATOM 2059 OG SER B 292 -16.183 -11.729 -11.407 1.00 0.00 O ATOM 2060 OXT SER B 292 -15.847 -13.736 -7.805 1.00 0.00 O ATOM 0 H SER B 292 -16.602 -9.772 -8.951 1.00 0.00 H new ATOM 0 HA SER B 292 -17.754 -11.652 -9.215 1.00 0.00 H new ATOM 0 HB2 SER B 292 -15.093 -12.864 -10.071 1.00 0.00 H new ATOM 0 HB3 SER B 292 -16.686 -13.488 -10.452 1.00 0.00 H new ATOM 0 HG SER B 292 -15.811 -12.202 -12.181 1.00 0.00 H new TER 2066 SER B 292