USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 THR OG1 : rot -78:sc= -0.475 USER MOD Set 1.2: A 106 GLN : amide:sc= -2.43 K(o=-2.9,f=-1.7!) USER MOD Set 2.1: A 53 THR OG1 : rot -124:sc= 1.39 USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 1.1 USER MOD Set 3.1: A 34 TYR OH : rot -147:sc= 0.00112 USER MOD Set 3.2: A 38 LYS NZ :NH3+ 164:sc= -0.0335 (180deg=-0.258) USER MOD Set 4.1: A 9 HIS : no HD1:sc= 0 K(o=-0.43,f=-1) USER MOD Set 4.2: A 11 HIS : no HE2:sc= -0.43 K(o=-0.43,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0667 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-2.43e-05 X(o=-2.4e-05,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.416 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 134:sc= 0.00997 USER MOD Single : A 56 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.13) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.0014 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 68 SER OG : rot -150:sc= 0.0236 USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= -0.0908 (180deg=-0.868) USER MOD Single : A 74 LYS NZ :NH3+ -119:sc= -0.0779 (180deg=-3.28!) USER MOD Single : A 78 GLN : amide:sc= -1.04 K(o=-1,f=-6.1!) USER MOD Single : A 80 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.25) USER MOD Single : A 84 ASN : amide:sc= 0.53 K(o=0.53,f=-0.14) USER MOD Single : A 86 CYS SG : rot -160:sc= -0.395 USER MOD Single : A 93 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0.029) USER MOD Single : A 95 HIS : no HD1:sc= -0.329 K(o=-0.33,f=-1.5) USER MOD Single : A 99 GLN : amide:sc= -5.53! K(o=-5.5!,f=-2.7) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -110:sc= -0.113 USER MOD Single : A 108 THR OG1 : rot 109:sc= 1.11 USER MOD Single : A 110 GLN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.972 -31.397 -12.627 1.00 0.00 N ATOM 2 CA MET A 1 -7.008 -30.637 -13.465 1.00 0.00 C ATOM 3 C MET A 1 -5.607 -30.676 -12.866 1.00 0.00 C ATOM 4 O MET A 1 -5.424 -31.072 -11.715 1.00 0.00 O ATOM 5 CB MET A 1 -7.495 -29.191 -13.579 1.00 0.00 C ATOM 6 CG MET A 1 -8.373 -28.938 -14.793 1.00 0.00 C ATOM 7 SD MET A 1 -7.464 -28.208 -16.168 1.00 0.00 S ATOM 8 CE MET A 1 -8.180 -29.087 -17.554 1.00 0.00 C ATOM 0 H1 MET A 1 -8.818 -30.816 -12.457 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.246 -32.271 -13.119 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.528 -31.637 -11.718 1.00 0.00 H new ATOM 0 HA MET A 1 -6.955 -31.094 -14.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.052 -28.932 -12.678 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.631 -28.528 -13.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.819 -29.879 -15.116 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.192 -28.276 -14.512 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.718 -28.744 -18.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.006 -30.156 -17.436 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.253 -28.896 -17.591 1.00 0.00 H new ATOM 20 N LYS A 2 -4.620 -30.263 -13.654 1.00 0.00 N ATOM 21 CA LYS A 2 -3.234 -30.249 -13.201 1.00 0.00 C ATOM 22 C LYS A 2 -2.825 -28.855 -12.738 1.00 0.00 C ATOM 23 O LYS A 2 -2.115 -28.702 -11.745 1.00 0.00 O ATOM 24 CB LYS A 2 -2.304 -30.721 -14.321 1.00 0.00 C ATOM 25 CG LYS A 2 -2.199 -32.233 -14.427 1.00 0.00 C ATOM 26 CD LYS A 2 -3.194 -32.792 -15.431 1.00 0.00 C ATOM 27 CE LYS A 2 -3.559 -34.232 -15.111 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.845 -34.327 -14.363 1.00 0.00 N ATOM 0 H LYS A 2 -4.754 -29.933 -14.610 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.149 -30.931 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.661 -30.322 -15.271 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.310 -30.307 -14.155 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.187 -32.508 -14.724 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.377 -32.680 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.095 -32.179 -15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.770 -32.737 -16.434 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.635 -34.802 -16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.762 -34.686 -14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.058 -35.325 -14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.765 -33.805 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.611 -33.917 -14.935 1.00 0.00 H new ATOM 42 N GLY A 3 -3.279 -27.839 -13.466 1.00 0.00 N ATOM 43 CA GLY A 3 -2.950 -26.470 -13.115 1.00 0.00 C ATOM 44 C GLY A 3 -4.117 -25.738 -12.482 1.00 0.00 C ATOM 45 O GLY A 3 -5.261 -26.180 -12.577 1.00 0.00 O ATOM 0 H GLY A 3 -3.869 -27.940 -14.292 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.106 -26.468 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.632 -25.935 -14.010 1.00 0.00 H new ATOM 49 N SER A 4 -3.826 -24.615 -11.832 1.00 0.00 N ATOM 50 CA SER A 4 -4.859 -23.820 -11.181 1.00 0.00 C ATOM 51 C SER A 4 -4.669 -22.335 -11.474 1.00 0.00 C ATOM 52 O SER A 4 -5.607 -21.648 -11.880 1.00 0.00 O ATOM 53 CB SER A 4 -4.839 -24.060 -9.669 1.00 0.00 C ATOM 54 OG SER A 4 -6.143 -23.970 -9.122 1.00 0.00 O ATOM 0 H SER A 4 -2.883 -24.236 -11.743 1.00 0.00 H new ATOM 0 HA SER A 4 -5.825 -24.129 -11.579 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.420 -25.044 -9.459 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.189 -23.328 -9.190 1.00 0.00 H new ATOM 0 HG SER A 4 -6.104 -24.129 -8.156 1.00 0.00 H new ATOM 60 N SER A 5 -3.451 -21.847 -11.265 1.00 0.00 N ATOM 61 CA SER A 5 -3.138 -20.444 -11.508 1.00 0.00 C ATOM 62 C SER A 5 -2.428 -20.268 -12.846 1.00 0.00 C ATOM 63 O SER A 5 -1.201 -20.177 -12.901 1.00 0.00 O ATOM 64 CB SER A 5 -2.268 -19.891 -10.377 1.00 0.00 C ATOM 65 OG SER A 5 -3.064 -19.328 -9.349 1.00 0.00 O ATOM 0 H SER A 5 -2.665 -22.402 -10.928 1.00 0.00 H new ATOM 0 HA SER A 5 -4.075 -19.889 -11.540 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.650 -20.689 -9.966 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.590 -19.134 -10.772 1.00 0.00 H new ATOM 0 HG SER A 5 -2.484 -18.984 -8.638 1.00 0.00 H new ATOM 71 N HIS A 6 -3.205 -20.220 -13.922 1.00 0.00 N ATOM 72 CA HIS A 6 -2.649 -20.054 -15.260 1.00 0.00 C ATOM 73 C HIS A 6 -3.599 -19.259 -16.149 1.00 0.00 C ATOM 74 O HIS A 6 -4.790 -19.149 -15.859 1.00 0.00 O ATOM 75 CB HIS A 6 -2.366 -21.420 -15.889 1.00 0.00 C ATOM 76 CG HIS A 6 -3.563 -22.319 -15.931 1.00 0.00 C ATOM 77 ND1 HIS A 6 -4.215 -22.652 -17.099 1.00 0.00 N ATOM 78 CD2 HIS A 6 -4.226 -22.958 -14.937 1.00 0.00 C ATOM 79 CE1 HIS A 6 -5.227 -23.456 -16.823 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.254 -23.657 -15.518 1.00 0.00 N ATOM 0 H HIS A 6 -4.222 -20.294 -13.894 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.714 -19.500 -15.173 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.996 -21.274 -16.904 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.572 -21.912 -15.328 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.989 -22.924 -13.884 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.914 -23.877 -17.542 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.930 -24.238 -15.022 1.00 0.00 H new ATOM 89 N HIS A 7 -3.064 -18.705 -17.232 1.00 0.00 N ATOM 90 CA HIS A 7 -3.864 -17.919 -18.164 1.00 0.00 C ATOM 91 C HIS A 7 -3.149 -17.769 -19.503 1.00 0.00 C ATOM 92 O HIS A 7 -2.053 -17.213 -19.575 1.00 0.00 O ATOM 93 CB HIS A 7 -4.165 -16.540 -17.570 1.00 0.00 C ATOM 94 CG HIS A 7 -5.626 -16.286 -17.358 1.00 0.00 C ATOM 95 ND1 HIS A 7 -6.429 -15.674 -18.297 1.00 0.00 N ATOM 96 CD2 HIS A 7 -6.430 -16.568 -16.305 1.00 0.00 C ATOM 97 CE1 HIS A 7 -7.662 -15.588 -17.831 1.00 0.00 C ATOM 98 NE2 HIS A 7 -7.689 -16.125 -16.625 1.00 0.00 N ATOM 0 H HIS A 7 -2.079 -18.786 -17.486 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.803 -18.445 -18.335 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.645 -16.443 -16.617 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.763 -15.773 -18.232 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.135 -17.051 -15.385 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.504 -15.153 -18.348 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.513 -16.199 -16.028 1.00 0.00 H new ATOM 107 N HIS A 8 -3.777 -18.270 -20.563 1.00 0.00 N ATOM 108 CA HIS A 8 -3.201 -18.191 -21.899 1.00 0.00 C ATOM 109 C HIS A 8 -3.782 -17.013 -22.674 1.00 0.00 C ATOM 110 O HIS A 8 -4.650 -16.297 -22.176 1.00 0.00 O ATOM 111 CB HIS A 8 -3.451 -19.493 -22.662 1.00 0.00 C ATOM 112 CG HIS A 8 -2.313 -20.463 -22.580 1.00 0.00 C ATOM 113 ND1 HIS A 8 -1.450 -20.702 -23.629 1.00 0.00 N ATOM 114 CD2 HIS A 8 -1.896 -21.256 -21.564 1.00 0.00 C ATOM 115 CE1 HIS A 8 -0.554 -21.602 -23.263 1.00 0.00 C ATOM 116 NE2 HIS A 8 -0.802 -21.952 -22.015 1.00 0.00 N ATOM 0 H HIS A 8 -4.684 -18.734 -20.521 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.127 -18.039 -21.796 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.351 -19.967 -22.270 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.644 -19.260 -23.709 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.341 -21.327 -20.583 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.245 -21.986 -23.880 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.267 -22.630 -21.473 1.00 0.00 H new ATOM 125 N HIS A 9 -3.298 -16.818 -23.897 1.00 0.00 N ATOM 126 CA HIS A 9 -3.770 -15.727 -24.741 1.00 0.00 C ATOM 127 C HIS A 9 -3.512 -14.377 -24.081 1.00 0.00 C ATOM 128 O HIS A 9 -4.308 -13.909 -23.266 1.00 0.00 O ATOM 129 CB HIS A 9 -5.264 -15.888 -25.031 1.00 0.00 C ATOM 130 CG HIS A 9 -5.560 -16.874 -26.119 1.00 0.00 C ATOM 131 ND1 HIS A 9 -6.667 -16.782 -26.936 1.00 0.00 N ATOM 132 CD2 HIS A 9 -4.884 -17.975 -26.525 1.00 0.00 C ATOM 133 CE1 HIS A 9 -6.661 -17.786 -27.795 1.00 0.00 C ATOM 134 NE2 HIS A 9 -5.589 -18.523 -27.568 1.00 0.00 N ATOM 0 H HIS A 9 -2.579 -17.402 -24.325 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.218 -15.763 -25.680 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.771 -16.203 -24.119 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.679 -14.919 -25.308 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.962 -18.352 -26.106 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.406 -17.972 -28.554 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.327 -19.363 -28.084 1.00 0.00 H new ATOM 143 N HIS A 10 -2.393 -13.754 -24.438 1.00 0.00 N ATOM 144 CA HIS A 10 -2.028 -12.457 -23.880 1.00 0.00 C ATOM 145 C HIS A 10 -2.400 -11.330 -24.837 1.00 0.00 C ATOM 146 O HIS A 10 -1.688 -10.332 -24.943 1.00 0.00 O ATOM 147 CB HIS A 10 -0.531 -12.411 -23.577 1.00 0.00 C ATOM 148 CG HIS A 10 -0.145 -13.174 -22.348 1.00 0.00 C ATOM 149 ND1 HIS A 10 0.491 -12.594 -21.271 1.00 0.00 N ATOM 150 CD2 HIS A 10 -0.311 -14.479 -22.025 1.00 0.00 C ATOM 151 CE1 HIS A 10 0.702 -13.509 -20.341 1.00 0.00 C ATOM 152 NE2 HIS A 10 0.224 -14.661 -20.774 1.00 0.00 N ATOM 0 H HIS A 10 -1.724 -14.127 -25.111 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.583 -12.320 -22.952 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.016 -12.812 -24.430 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.224 -11.372 -23.461 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.778 -15.236 -22.638 1.00 0.00 H new ATOM 0 HE1 HIS A 10 1.184 -13.343 -19.389 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.248 -15.543 -20.262 1.00 0.00 H new ATOM 161 N HIS A 11 -3.521 -11.497 -25.533 1.00 0.00 N ATOM 162 CA HIS A 11 -3.988 -10.493 -26.483 1.00 0.00 C ATOM 163 C HIS A 11 -5.429 -10.092 -26.186 1.00 0.00 C ATOM 164 O HIS A 11 -6.208 -9.819 -27.098 1.00 0.00 O ATOM 165 CB HIS A 11 -3.878 -11.024 -27.913 1.00 0.00 C ATOM 166 CG HIS A 11 -4.555 -12.344 -28.114 1.00 0.00 C ATOM 167 ND1 HIS A 11 -5.898 -12.547 -27.874 1.00 0.00 N ATOM 168 CD2 HIS A 11 -4.067 -13.535 -28.537 1.00 0.00 C ATOM 169 CE1 HIS A 11 -6.206 -13.804 -28.139 1.00 0.00 C ATOM 170 NE2 HIS A 11 -5.113 -14.424 -28.543 1.00 0.00 N ATOM 0 H HIS A 11 -4.122 -12.317 -25.457 1.00 0.00 H new ATOM 0 HA HIS A 11 -3.356 -9.611 -26.381 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -4.311 -10.295 -28.597 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.825 -11.121 -28.176 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -6.552 -11.837 -27.543 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.045 -13.746 -28.817 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -7.185 -14.249 -28.042 1.00 0.00 H new ATOM 179 N SER A 12 -5.776 -10.058 -24.904 1.00 0.00 N ATOM 180 CA SER A 12 -7.124 -9.690 -24.486 1.00 0.00 C ATOM 181 C SER A 12 -7.199 -8.208 -24.134 1.00 0.00 C ATOM 182 O SER A 12 -8.231 -7.565 -24.325 1.00 0.00 O ATOM 183 CB SER A 12 -7.557 -10.534 -23.285 1.00 0.00 C ATOM 184 OG SER A 12 -8.937 -10.848 -23.354 1.00 0.00 O ATOM 0 H SER A 12 -5.143 -10.281 -24.136 1.00 0.00 H new ATOM 0 HA SER A 12 -7.801 -9.882 -25.319 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.973 -11.454 -23.253 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.350 -9.992 -22.362 1.00 0.00 H new ATOM 0 HG SER A 12 -9.189 -11.389 -22.577 1.00 0.00 H new ATOM 190 N SER A 13 -6.098 -7.671 -23.618 1.00 0.00 N ATOM 191 CA SER A 13 -6.038 -6.264 -23.239 1.00 0.00 C ATOM 192 C SER A 13 -6.186 -5.365 -24.462 1.00 0.00 C ATOM 193 O SER A 13 -6.009 -5.809 -25.596 1.00 0.00 O ATOM 194 CB SER A 13 -4.720 -5.961 -22.526 1.00 0.00 C ATOM 195 OG SER A 13 -4.875 -4.906 -21.594 1.00 0.00 O ATOM 0 H SER A 13 -5.235 -8.189 -23.453 1.00 0.00 H new ATOM 0 HA SER A 13 -6.865 -6.062 -22.559 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.367 -6.855 -22.012 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.959 -5.694 -23.259 1.00 0.00 H new ATOM 0 HG SER A 13 -4.018 -4.733 -21.150 1.00 0.00 H new ATOM 201 N GLY A 14 -6.513 -4.098 -24.223 1.00 0.00 N ATOM 202 CA GLY A 14 -6.680 -3.157 -25.314 1.00 0.00 C ATOM 203 C GLY A 14 -8.135 -2.828 -25.581 1.00 0.00 C ATOM 204 O GLY A 14 -8.550 -2.707 -26.733 1.00 0.00 O ATOM 0 H GLY A 14 -6.665 -3.707 -23.293 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.140 -2.239 -25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.233 -3.571 -26.218 1.00 0.00 H new ATOM 208 N ALA A 15 -8.912 -2.685 -24.512 1.00 0.00 N ATOM 209 CA ALA A 15 -10.330 -2.369 -24.636 1.00 0.00 C ATOM 210 C ALA A 15 -11.071 -3.459 -25.403 1.00 0.00 C ATOM 211 O ALA A 15 -10.851 -3.649 -26.599 1.00 0.00 O ATOM 212 CB ALA A 15 -10.513 -1.022 -25.321 1.00 0.00 C ATOM 0 H ALA A 15 -8.584 -2.783 -23.551 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.753 -2.315 -23.633 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.576 -0.799 -25.407 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.026 -0.245 -24.732 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.068 -1.056 -26.315 1.00 0.00 H new ATOM 218 N SER A 16 -11.950 -4.173 -24.707 1.00 0.00 N ATOM 219 CA SER A 16 -12.723 -5.244 -25.322 1.00 0.00 C ATOM 220 C SER A 16 -14.213 -5.065 -25.052 1.00 0.00 C ATOM 221 O SER A 16 -14.942 -6.039 -24.859 1.00 0.00 O ATOM 222 CB SER A 16 -12.258 -6.604 -24.797 1.00 0.00 C ATOM 223 OG SER A 16 -12.626 -6.780 -23.440 1.00 0.00 O ATOM 0 H SER A 16 -12.144 -4.028 -23.716 1.00 0.00 H new ATOM 0 HA SER A 16 -12.560 -5.202 -26.399 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.694 -7.399 -25.401 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.176 -6.685 -24.897 1.00 0.00 H new ATOM 0 HG SER A 16 -12.319 -7.657 -23.129 1.00 0.00 H new ATOM 229 N LEU A 17 -14.660 -3.813 -25.039 1.00 0.00 N ATOM 230 CA LEU A 17 -16.064 -3.506 -24.792 1.00 0.00 C ATOM 231 C LEU A 17 -16.496 -4.000 -23.415 1.00 0.00 C ATOM 232 O LEU A 17 -17.630 -4.444 -23.232 1.00 0.00 O ATOM 233 CB LEU A 17 -16.944 -4.136 -25.873 1.00 0.00 C ATOM 234 CG LEU A 17 -18.182 -3.324 -26.257 1.00 0.00 C ATOM 235 CD1 LEU A 17 -17.779 -1.964 -26.805 1.00 0.00 C ATOM 236 CD2 LEU A 17 -19.023 -4.082 -27.273 1.00 0.00 C ATOM 0 H LEU A 17 -14.071 -2.996 -25.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -16.183 -2.423 -24.823 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -16.339 -4.292 -26.766 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -17.266 -5.119 -25.530 1.00 0.00 H new ATOM 0 HG LEU A 17 -18.783 -3.169 -25.361 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -18.673 -1.400 -27.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -17.219 -1.417 -26.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.156 -2.098 -27.689 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -19.900 -3.489 -27.535 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -18.431 -4.269 -28.169 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.342 -5.032 -26.845 1.00 0.00 H new ATOM 248 N VAL A 18 -15.584 -3.922 -22.452 1.00 0.00 N ATOM 249 CA VAL A 18 -15.872 -4.362 -21.092 1.00 0.00 C ATOM 250 C VAL A 18 -14.690 -4.080 -20.163 1.00 0.00 C ATOM 251 O VAL A 18 -13.538 -4.320 -20.525 1.00 0.00 O ATOM 252 CB VAL A 18 -16.203 -5.869 -21.049 1.00 0.00 C ATOM 253 CG1 VAL A 18 -15.024 -6.691 -21.545 1.00 0.00 C ATOM 254 CG2 VAL A 18 -16.605 -6.290 -19.643 1.00 0.00 C ATOM 0 H VAL A 18 -14.641 -3.559 -22.588 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.740 -3.799 -20.750 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.048 -6.054 -21.712 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.277 -7.750 -21.507 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -14.791 -6.410 -22.572 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.157 -6.502 -20.912 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.834 -7.356 -19.634 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.784 -6.090 -18.954 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.485 -5.727 -19.332 1.00 0.00 H new ATOM 264 N PRO A 19 -14.959 -3.565 -18.949 1.00 0.00 N ATOM 265 CA PRO A 19 -13.907 -3.254 -17.976 1.00 0.00 C ATOM 266 C PRO A 19 -13.260 -4.510 -17.400 1.00 0.00 C ATOM 267 O PRO A 19 -13.928 -5.521 -17.186 1.00 0.00 O ATOM 268 CB PRO A 19 -14.649 -2.484 -16.882 1.00 0.00 C ATOM 269 CG PRO A 19 -16.057 -2.959 -16.975 1.00 0.00 C ATOM 270 CD PRO A 19 -16.303 -3.245 -18.430 1.00 0.00 C ATOM 0 HA PRO A 19 -13.088 -2.694 -18.428 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.226 -2.688 -15.898 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.583 -1.408 -17.041 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.208 -3.854 -16.371 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.749 -2.203 -16.604 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.994 -4.077 -18.564 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.736 -2.385 -18.941 1.00 0.00 H new ATOM 278 N ARG A 20 -11.956 -4.438 -17.152 1.00 0.00 N ATOM 279 CA ARG A 20 -11.220 -5.569 -16.600 1.00 0.00 C ATOM 280 C ARG A 20 -10.260 -5.112 -15.506 1.00 0.00 C ATOM 281 O ARG A 20 -10.437 -5.442 -14.333 1.00 0.00 O ATOM 282 CB ARG A 20 -10.446 -6.289 -17.705 1.00 0.00 C ATOM 283 CG ARG A 20 -9.872 -7.628 -17.273 1.00 0.00 C ATOM 284 CD ARG A 20 -10.786 -8.778 -17.665 1.00 0.00 C ATOM 285 NE ARG A 20 -10.263 -10.069 -17.224 1.00 0.00 N ATOM 286 CZ ARG A 20 -10.922 -11.219 -17.350 1.00 0.00 C ATOM 287 NH1 ARG A 20 -12.129 -11.242 -17.899 1.00 0.00 N ATOM 288 NH2 ARG A 20 -10.372 -12.347 -16.923 1.00 0.00 N ATOM 0 H ARG A 20 -11.388 -3.609 -17.325 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.940 -6.259 -16.161 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.107 -6.445 -18.558 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.633 -5.647 -18.045 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.892 -7.769 -17.729 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.725 -7.631 -16.193 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.774 -8.620 -17.231 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.911 -8.788 -18.748 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.338 -10.091 -16.794 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.557 -10.376 -18.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.630 -12.126 -17.993 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.445 -12.333 -16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.876 -13.229 -17.019 1.00 0.00 H new ATOM 302 N GLY A 21 -9.243 -4.351 -15.899 1.00 0.00 N ATOM 303 CA GLY A 21 -8.269 -3.861 -14.940 1.00 0.00 C ATOM 304 C GLY A 21 -8.274 -2.348 -14.829 1.00 0.00 C ATOM 305 O GLY A 21 -7.253 -1.740 -14.508 1.00 0.00 O ATOM 0 H GLY A 21 -9.076 -4.065 -16.864 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.477 -4.295 -13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.274 -4.197 -15.233 1.00 0.00 H new ATOM 309 N SER A 22 -9.425 -1.741 -15.097 1.00 0.00 N ATOM 310 CA SER A 22 -9.560 -0.290 -15.027 1.00 0.00 C ATOM 311 C SER A 22 -8.635 0.392 -16.029 1.00 0.00 C ATOM 312 O SER A 22 -7.587 -0.146 -16.388 1.00 0.00 O ATOM 313 CB SER A 22 -9.249 0.204 -13.612 1.00 0.00 C ATOM 314 OG SER A 22 -10.424 0.261 -12.822 1.00 0.00 O ATOM 0 H SER A 22 -10.278 -2.231 -15.365 1.00 0.00 H new ATOM 0 HA SER A 22 -10.590 -0.034 -15.277 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.523 -0.460 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.791 1.192 -13.661 1.00 0.00 H new ATOM 0 HG SER A 22 -10.198 0.578 -11.922 1.00 0.00 H new ATOM 320 N GLU A 23 -9.031 1.578 -16.479 1.00 0.00 N ATOM 321 CA GLU A 23 -8.238 2.335 -17.442 1.00 0.00 C ATOM 322 C GLU A 23 -7.627 3.571 -16.789 1.00 0.00 C ATOM 323 O GLU A 23 -6.541 4.012 -17.168 1.00 0.00 O ATOM 324 CB GLU A 23 -9.103 2.747 -18.634 1.00 0.00 C ATOM 325 CG GLU A 23 -8.362 2.723 -19.961 1.00 0.00 C ATOM 326 CD GLU A 23 -7.669 4.037 -20.265 1.00 0.00 C ATOM 327 OE1 GLU A 23 -8.330 4.945 -20.810 1.00 0.00 O ATOM 328 OE2 GLU A 23 -6.464 4.157 -19.959 1.00 0.00 O ATOM 0 H GLU A 23 -9.896 2.036 -16.193 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.429 1.695 -17.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.963 2.080 -18.696 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.490 3.751 -18.462 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.623 1.922 -19.946 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.065 2.493 -20.762 1.00 0.00 H new ATOM 335 N GLY A 24 -8.331 4.126 -15.809 1.00 0.00 N ATOM 336 CA GLY A 24 -7.842 5.305 -15.120 1.00 0.00 C ATOM 337 C GLY A 24 -8.963 6.156 -14.557 1.00 0.00 C ATOM 338 O GLY A 24 -9.335 7.173 -15.143 1.00 0.00 O ATOM 0 H GLY A 24 -9.232 3.780 -15.479 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.180 5.000 -14.310 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.247 5.904 -15.809 1.00 0.00 H new ATOM 342 N ALA A 25 -9.504 5.739 -13.416 1.00 0.00 N ATOM 343 CA ALA A 25 -10.590 6.468 -12.774 1.00 0.00 C ATOM 344 C ALA A 25 -10.207 6.888 -11.359 1.00 0.00 C ATOM 345 O ALA A 25 -9.570 6.131 -10.627 1.00 0.00 O ATOM 346 CB ALA A 25 -11.853 5.621 -12.751 1.00 0.00 C ATOM 0 H ALA A 25 -9.207 4.900 -12.918 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.782 7.371 -13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.656 6.178 -12.269 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.145 5.375 -13.772 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.665 4.702 -12.196 1.00 0.00 H new ATOM 352 N ALA A 26 -10.601 8.099 -10.979 1.00 0.00 N ATOM 353 CA ALA A 26 -10.299 8.620 -9.651 1.00 0.00 C ATOM 354 C ALA A 26 -8.795 8.670 -9.407 1.00 0.00 C ATOM 355 O ALA A 26 -8.338 8.582 -8.268 1.00 0.00 O ATOM 356 CB ALA A 26 -10.980 7.775 -8.586 1.00 0.00 C ATOM 0 H ALA A 26 -11.130 8.738 -11.572 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.683 9.639 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.746 8.175 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.059 7.796 -8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.624 6.747 -8.654 1.00 0.00 H new ATOM 362 N THR A 27 -8.028 8.817 -10.484 1.00 0.00 N ATOM 363 CA THR A 27 -6.576 8.885 -10.382 1.00 0.00 C ATOM 364 C THR A 27 -6.151 10.047 -9.491 1.00 0.00 C ATOM 365 O THR A 27 -5.122 9.987 -8.820 1.00 0.00 O ATOM 366 CB THR A 27 -5.952 9.034 -11.770 1.00 0.00 C ATOM 367 OG1 THR A 27 -6.797 8.479 -12.762 1.00 0.00 O ATOM 368 CG2 THR A 27 -4.599 8.366 -11.893 1.00 0.00 C ATOM 0 H THR A 27 -8.389 8.891 -11.435 1.00 0.00 H new ATOM 0 HA THR A 27 -6.222 7.957 -9.933 1.00 0.00 H new ATOM 0 HB THR A 27 -5.824 10.107 -11.915 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.381 8.586 -13.643 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.213 8.510 -12.902 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.909 8.807 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.700 7.300 -11.692 1.00 0.00 H new ATOM 376 N MET A 28 -6.957 11.105 -9.491 1.00 0.00 N ATOM 377 CA MET A 28 -6.672 12.284 -8.683 1.00 0.00 C ATOM 378 C MET A 28 -7.670 12.412 -7.535 1.00 0.00 C ATOM 379 O MET A 28 -7.363 13.001 -6.498 1.00 0.00 O ATOM 380 CB MET A 28 -6.711 13.544 -9.550 1.00 0.00 C ATOM 381 CG MET A 28 -5.372 13.890 -10.181 1.00 0.00 C ATOM 382 SD MET A 28 -4.472 15.147 -9.255 1.00 0.00 S ATOM 383 CE MET A 28 -4.122 16.336 -10.548 1.00 0.00 C ATOM 0 H MET A 28 -7.813 11.169 -10.042 1.00 0.00 H new ATOM 0 HA MET A 28 -5.673 12.172 -8.262 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.451 13.409 -10.339 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.044 14.384 -8.941 1.00 0.00 H new ATOM 0 HG2 MET A 28 -4.763 12.989 -10.249 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.535 14.242 -11.200 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.567 17.176 -10.130 1.00 0.00 H new ATOM 0 HE2 MET A 28 -3.527 15.861 -11.328 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.058 16.696 -10.974 1.00 0.00 H new ATOM 393 N GLU A 29 -8.865 11.859 -7.726 1.00 0.00 N ATOM 394 CA GLU A 29 -9.903 11.914 -6.703 1.00 0.00 C ATOM 395 C GLU A 29 -9.894 10.650 -5.849 1.00 0.00 C ATOM 396 O GLU A 29 -10.717 9.754 -6.041 1.00 0.00 O ATOM 397 CB GLU A 29 -11.276 12.097 -7.350 1.00 0.00 C ATOM 398 CG GLU A 29 -11.634 13.550 -7.618 1.00 0.00 C ATOM 399 CD GLU A 29 -11.467 13.934 -9.075 1.00 0.00 C ATOM 400 OE1 GLU A 29 -10.650 13.290 -9.768 1.00 0.00 O ATOM 401 OE2 GLU A 29 -12.150 14.877 -9.523 1.00 0.00 O ATOM 0 H GLU A 29 -9.137 11.369 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.697 12.768 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.302 11.546 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.035 11.658 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.666 13.727 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.006 14.194 -7.002 1.00 0.00 H new ATOM 408 N LEU A 30 -8.952 10.583 -4.910 1.00 0.00 N ATOM 409 CA LEU A 30 -8.821 9.435 -4.024 1.00 0.00 C ATOM 410 C LEU A 30 -10.180 8.966 -3.507 1.00 0.00 C ATOM 411 O LEU A 30 -10.945 9.749 -2.945 1.00 0.00 O ATOM 412 CB LEU A 30 -7.908 9.777 -2.846 1.00 0.00 C ATOM 413 CG LEU A 30 -6.413 9.584 -3.106 1.00 0.00 C ATOM 414 CD1 LEU A 30 -5.902 10.632 -4.083 1.00 0.00 C ATOM 415 CD2 LEU A 30 -5.634 9.644 -1.801 1.00 0.00 C ATOM 0 H LEU A 30 -8.265 11.318 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.380 8.622 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.080 10.815 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.195 9.162 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.264 8.600 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.837 10.479 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.440 10.542 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.063 11.627 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.572 9.505 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.789 10.614 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.982 8.856 -1.133 1.00 0.00 H new ATOM 427 N SER A 31 -10.472 7.684 -3.701 1.00 0.00 N ATOM 428 CA SER A 31 -11.737 7.112 -3.255 1.00 0.00 C ATOM 429 C SER A 31 -11.505 5.830 -2.461 1.00 0.00 C ATOM 430 O SER A 31 -10.474 5.175 -2.610 1.00 0.00 O ATOM 431 CB SER A 31 -12.641 6.825 -4.455 1.00 0.00 C ATOM 432 OG SER A 31 -13.469 7.938 -4.748 1.00 0.00 O ATOM 0 H SER A 31 -9.850 7.022 -4.164 1.00 0.00 H new ATOM 0 HA SER A 31 -12.226 7.837 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.030 6.583 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.260 5.952 -4.248 1.00 0.00 H new ATOM 0 HG SER A 31 -14.036 7.730 -5.520 1.00 0.00 H new ATOM 438 N ALA A 32 -12.469 5.481 -1.617 1.00 0.00 N ATOM 439 CA ALA A 32 -12.369 4.278 -0.799 1.00 0.00 C ATOM 440 C ALA A 32 -12.271 3.029 -1.669 1.00 0.00 C ATOM 441 O ALA A 32 -11.460 2.141 -1.407 1.00 0.00 O ATOM 442 CB ALA A 32 -13.564 4.178 0.138 1.00 0.00 C ATOM 0 H ALA A 32 -13.328 6.014 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.458 4.347 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.477 3.276 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.589 5.051 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.483 4.136 -0.447 1.00 0.00 H new ATOM 448 N ASP A 33 -13.102 2.969 -2.705 1.00 0.00 N ATOM 449 CA ASP A 33 -13.109 1.830 -3.614 1.00 0.00 C ATOM 450 C ASP A 33 -11.800 1.747 -4.392 1.00 0.00 C ATOM 451 O ASP A 33 -11.343 0.659 -4.746 1.00 0.00 O ATOM 452 CB ASP A 33 -14.290 1.931 -4.582 1.00 0.00 C ATOM 453 CG ASP A 33 -15.434 1.014 -4.197 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.291 -0.215 -4.365 1.00 0.00 O ATOM 455 OD2 ASP A 33 -16.473 1.524 -3.728 1.00 0.00 O ATOM 0 H ASP A 33 -13.779 3.696 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.214 0.922 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.647 2.961 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.953 1.684 -5.589 1.00 0.00 H new ATOM 460 N TYR A 34 -11.200 2.903 -4.654 1.00 0.00 N ATOM 461 CA TYR A 34 -9.942 2.962 -5.391 1.00 0.00 C ATOM 462 C TYR A 34 -8.835 2.233 -4.636 1.00 0.00 C ATOM 463 O TYR A 34 -8.144 1.383 -5.196 1.00 0.00 O ATOM 464 CB TYR A 34 -9.538 4.416 -5.635 1.00 0.00 C ATOM 465 CG TYR A 34 -8.260 4.565 -6.430 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.054 3.835 -7.594 1.00 0.00 C ATOM 467 CD2 TYR A 34 -7.259 5.436 -6.016 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.889 3.968 -8.323 1.00 0.00 C ATOM 469 CE2 TYR A 34 -6.090 5.574 -6.740 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.910 4.839 -7.893 1.00 0.00 C ATOM 471 OH TYR A 34 -4.747 4.974 -8.616 1.00 0.00 O ATOM 0 H TYR A 34 -11.564 3.812 -4.367 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.088 2.467 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.345 4.925 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.419 4.917 -4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.818 3.152 -7.934 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.397 6.014 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.745 3.393 -9.226 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.321 6.254 -6.405 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.001 5.151 -8.006 1.00 0.00 H new ATOM 481 N LEU A 35 -8.673 2.573 -3.361 1.00 0.00 N ATOM 482 CA LEU A 35 -7.651 1.951 -2.528 1.00 0.00 C ATOM 483 C LEU A 35 -7.985 0.488 -2.256 1.00 0.00 C ATOM 484 O LEU A 35 -7.093 -0.346 -2.104 1.00 0.00 O ATOM 485 CB LEU A 35 -7.510 2.709 -1.207 1.00 0.00 C ATOM 486 CG LEU A 35 -7.255 4.210 -1.345 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.332 4.892 0.012 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.903 4.462 -1.995 1.00 0.00 C ATOM 0 H LEU A 35 -9.237 3.276 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.704 1.993 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.419 2.563 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.691 2.268 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.029 4.634 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.148 5.960 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.323 4.740 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.581 4.466 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.737 5.536 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.117 4.024 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.885 4.007 -2.985 1.00 0.00 H new ATOM 500 N ARG A 36 -9.277 0.183 -2.197 1.00 0.00 N ATOM 501 CA ARG A 36 -9.730 -1.180 -1.944 1.00 0.00 C ATOM 502 C ARG A 36 -9.528 -2.059 -3.174 1.00 0.00 C ATOM 503 O ARG A 36 -8.947 -3.141 -3.089 1.00 0.00 O ATOM 504 CB ARG A 36 -11.205 -1.182 -1.538 1.00 0.00 C ATOM 505 CG ARG A 36 -11.620 -2.422 -0.761 1.00 0.00 C ATOM 506 CD ARG A 36 -13.094 -2.734 -0.958 1.00 0.00 C ATOM 507 NE ARG A 36 -13.343 -3.427 -2.220 1.00 0.00 N ATOM 508 CZ ARG A 36 -14.535 -3.887 -2.591 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.590 -3.732 -1.800 1.00 0.00 N ATOM 510 NH2 ARG A 36 -14.674 -4.506 -3.756 1.00 0.00 N ATOM 0 H ARG A 36 -10.029 0.861 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.134 -1.588 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.408 -0.299 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.820 -1.102 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.020 -3.273 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.417 -2.273 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.448 -3.349 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.667 -1.807 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.556 -3.566 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.489 -3.258 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.501 -4.087 -2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.867 -4.629 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.588 -4.859 -4.040 1.00 0.00 H new ATOM 524 N GLU A 37 -10.012 -1.586 -4.319 1.00 0.00 N ATOM 525 CA GLU A 37 -9.884 -2.329 -5.568 1.00 0.00 C ATOM 526 C GLU A 37 -8.418 -2.563 -5.914 1.00 0.00 C ATOM 527 O GLU A 37 -8.041 -3.645 -6.364 1.00 0.00 O ATOM 528 CB GLU A 37 -10.575 -1.575 -6.705 1.00 0.00 C ATOM 529 CG GLU A 37 -12.092 -1.633 -6.641 1.00 0.00 C ATOM 530 CD GLU A 37 -12.681 -2.623 -7.626 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.328 -2.552 -8.822 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.496 -3.471 -7.203 1.00 0.00 O ATOM 0 H GLU A 37 -10.496 -0.692 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.366 -3.298 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.259 -0.532 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.244 -1.989 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.399 -1.905 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.498 -0.642 -6.841 1.00 0.00 H new ATOM 539 N LYS A 38 -7.594 -1.542 -5.701 1.00 0.00 N ATOM 540 CA LYS A 38 -6.167 -1.638 -5.991 1.00 0.00 C ATOM 541 C LYS A 38 -5.518 -2.745 -5.168 1.00 0.00 C ATOM 542 O LYS A 38 -4.852 -3.626 -5.712 1.00 0.00 O ATOM 543 CB LYS A 38 -5.478 -0.303 -5.706 1.00 0.00 C ATOM 544 CG LYS A 38 -4.266 -0.044 -6.587 1.00 0.00 C ATOM 545 CD LYS A 38 -3.777 1.389 -6.454 1.00 0.00 C ATOM 546 CE LYS A 38 -2.624 1.675 -7.404 1.00 0.00 C ATOM 547 NZ LYS A 38 -3.042 1.572 -8.829 1.00 0.00 N ATOM 0 H LYS A 38 -7.889 -0.639 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.051 -1.881 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.197 0.504 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.169 -0.279 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.464 -0.730 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.521 -0.248 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.598 2.075 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.458 1.572 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.234 2.674 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.812 0.973 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.329 2.027 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.131 0.570 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.958 2.047 -8.957 1.00 0.00 H new ATOM 561 N LEU A 39 -5.715 -2.694 -3.855 1.00 0.00 N ATOM 562 CA LEU A 39 -5.148 -3.693 -2.957 1.00 0.00 C ATOM 563 C LEU A 39 -5.703 -5.080 -3.267 1.00 0.00 C ATOM 564 O LEU A 39 -4.964 -6.065 -3.285 1.00 0.00 O ATOM 565 CB LEU A 39 -5.444 -3.326 -1.501 1.00 0.00 C ATOM 566 CG LEU A 39 -4.654 -2.133 -0.961 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.332 -1.561 0.274 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.223 -2.542 -0.645 1.00 0.00 C ATOM 0 H LEU A 39 -6.263 -1.971 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.069 -3.711 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.508 -3.111 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.237 -4.193 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.629 -1.359 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.757 -0.713 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.339 -1.232 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.387 -2.328 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.675 -1.681 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.228 -3.333 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.740 -2.906 -1.552 1.00 0.00 H new ATOM 580 N ARG A 40 -7.007 -5.150 -3.510 1.00 0.00 N ATOM 581 CA ARG A 40 -7.661 -6.416 -3.820 1.00 0.00 C ATOM 582 C ARG A 40 -7.072 -7.045 -5.068 1.00 0.00 C ATOM 583 O ARG A 40 -6.777 -8.239 -5.094 1.00 0.00 O ATOM 584 CB ARG A 40 -9.166 -6.208 -3.997 1.00 0.00 C ATOM 585 CG ARG A 40 -9.974 -7.491 -3.888 1.00 0.00 C ATOM 586 CD ARG A 40 -11.434 -7.262 -4.240 1.00 0.00 C ATOM 587 NE ARG A 40 -11.718 -7.579 -5.638 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.897 -7.374 -6.221 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.904 -6.852 -5.532 1.00 0.00 N ATOM 590 NH2 ARG A 40 -13.069 -7.691 -7.497 1.00 0.00 N ATOM 0 H ARG A 40 -7.632 -4.344 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.492 -7.095 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.518 -5.502 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.350 -5.754 -4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.553 -8.245 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.901 -7.883 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.063 -7.875 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.695 -6.222 -4.044 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.968 -7.981 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.777 -6.606 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.805 -6.697 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.298 -8.092 -8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.972 -7.534 -7.944 1.00 0.00 H new ATOM 604 N GLN A 41 -6.907 -6.241 -6.104 1.00 0.00 N ATOM 605 CA GLN A 41 -6.355 -6.734 -7.353 1.00 0.00 C ATOM 606 C GLN A 41 -4.848 -6.945 -7.241 1.00 0.00 C ATOM 607 O GLN A 41 -4.325 -7.982 -7.650 1.00 0.00 O ATOM 608 CB GLN A 41 -6.670 -5.770 -8.497 1.00 0.00 C ATOM 609 CG GLN A 41 -8.155 -5.503 -8.678 1.00 0.00 C ATOM 610 CD GLN A 41 -8.742 -6.251 -9.859 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.404 -7.409 -10.106 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.627 -5.590 -10.598 1.00 0.00 N ATOM 0 H GLN A 41 -7.146 -5.249 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.819 -7.696 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.159 -4.824 -8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.267 -6.177 -9.425 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.685 -5.791 -7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.314 -4.433 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.878 -4.631 -10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.055 -6.041 -11.406 1.00 0.00 H new ATOM 621 N ASP A 42 -4.157 -5.956 -6.684 1.00 0.00 N ATOM 622 CA ASP A 42 -2.709 -6.034 -6.519 1.00 0.00 C ATOM 623 C ASP A 42 -2.322 -7.234 -5.660 1.00 0.00 C ATOM 624 O ASP A 42 -1.441 -8.013 -6.025 1.00 0.00 O ATOM 625 CB ASP A 42 -2.177 -4.747 -5.887 1.00 0.00 C ATOM 626 CG ASP A 42 -0.694 -4.552 -6.135 1.00 0.00 C ATOM 627 OD1 ASP A 42 0.112 -5.289 -5.527 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.337 -3.664 -6.938 1.00 0.00 O ATOM 0 H ASP A 42 -4.575 -5.092 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.263 -6.158 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.725 -3.895 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.363 -4.769 -4.813 1.00 0.00 H new ATOM 633 N LEU A 43 -2.987 -7.377 -4.518 1.00 0.00 N ATOM 634 CA LEU A 43 -2.712 -8.482 -3.607 1.00 0.00 C ATOM 635 C LEU A 43 -3.467 -9.740 -4.028 1.00 0.00 C ATOM 636 O LEU A 43 -3.058 -10.855 -3.706 1.00 0.00 O ATOM 637 CB LEU A 43 -3.097 -8.098 -2.177 1.00 0.00 C ATOM 638 CG LEU A 43 -2.297 -6.938 -1.580 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.113 -6.218 -0.519 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.985 -7.442 -0.997 1.00 0.00 C ATOM 0 H LEU A 43 -3.720 -6.742 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.643 -8.693 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.155 -7.837 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.974 -8.972 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.070 -6.229 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.528 -5.396 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.026 -5.825 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.371 -6.916 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.428 -6.605 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.191 -8.171 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.394 -7.912 -1.783 1.00 0.00 H new ATOM 652 N GLU A 44 -4.571 -9.554 -4.747 1.00 0.00 N ATOM 653 CA GLU A 44 -5.381 -10.676 -5.209 1.00 0.00 C ATOM 654 C GLU A 44 -5.996 -11.424 -4.030 1.00 0.00 C ATOM 655 O GLU A 44 -5.944 -12.653 -3.964 1.00 0.00 O ATOM 656 CB GLU A 44 -4.535 -11.632 -6.054 1.00 0.00 C ATOM 657 CG GLU A 44 -3.804 -10.948 -7.198 1.00 0.00 C ATOM 658 CD GLU A 44 -3.011 -11.922 -8.048 1.00 0.00 C ATOM 659 OE1 GLU A 44 -1.949 -12.387 -7.584 1.00 0.00 O ATOM 660 OE2 GLU A 44 -3.453 -12.220 -9.178 1.00 0.00 O ATOM 0 H GLU A 44 -4.924 -8.637 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.188 -10.280 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.806 -12.124 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.179 -12.412 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.527 -10.428 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.131 -10.192 -6.794 1.00 0.00 H new ATOM 667 N ALA A 45 -6.578 -10.674 -3.101 1.00 0.00 N ATOM 668 CA ALA A 45 -7.202 -11.264 -1.923 1.00 0.00 C ATOM 669 C ALA A 45 -8.573 -11.840 -2.260 1.00 0.00 C ATOM 670 O ALA A 45 -8.991 -11.842 -3.418 1.00 0.00 O ATOM 671 CB ALA A 45 -7.320 -10.228 -0.815 1.00 0.00 C ATOM 0 H ALA A 45 -6.631 -9.656 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.569 -12.081 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.788 -10.682 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.327 -9.866 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.930 -9.393 -1.161 1.00 0.00 H new ATOM 677 N GLU A 46 -9.272 -12.328 -1.239 1.00 0.00 N ATOM 678 CA GLU A 46 -10.597 -12.907 -1.425 1.00 0.00 C ATOM 679 C GLU A 46 -11.685 -11.880 -1.133 1.00 0.00 C ATOM 680 O GLU A 46 -12.567 -11.644 -1.958 1.00 0.00 O ATOM 681 CB GLU A 46 -10.775 -14.128 -0.520 1.00 0.00 C ATOM 682 CG GLU A 46 -9.950 -15.329 -0.951 1.00 0.00 C ATOM 683 CD GLU A 46 -10.742 -16.306 -1.798 1.00 0.00 C ATOM 684 OE1 GLU A 46 -11.878 -16.645 -1.408 1.00 0.00 O ATOM 685 OE2 GLU A 46 -10.225 -16.732 -2.852 1.00 0.00 O ATOM 0 H GLU A 46 -8.942 -12.334 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.687 -13.219 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.502 -13.857 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.828 -14.408 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.082 -14.986 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.573 -15.843 -0.067 1.00 0.00 H new ATOM 692 N HIS A 47 -11.617 -11.272 0.047 1.00 0.00 N ATOM 693 CA HIS A 47 -12.597 -10.269 0.448 1.00 0.00 C ATOM 694 C HIS A 47 -11.914 -9.064 1.083 1.00 0.00 C ATOM 695 O HIS A 47 -11.051 -9.211 1.949 1.00 0.00 O ATOM 696 CB HIS A 47 -13.603 -10.875 1.429 1.00 0.00 C ATOM 697 CG HIS A 47 -14.693 -11.657 0.762 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.734 -11.065 0.078 1.00 0.00 N ATOM 699 CD2 HIS A 47 -14.900 -12.992 0.676 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.535 -12.002 -0.398 1.00 0.00 C ATOM 701 NE2 HIS A 47 -16.050 -13.180 -0.050 1.00 0.00 N ATOM 0 H HIS A 47 -10.894 -11.456 0.742 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.125 -9.935 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.073 -11.526 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.050 -10.075 2.019 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.276 -13.765 1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.433 -11.833 -0.974 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -16.463 -14.083 -0.283 1.00 0.00 H new ATOM 710 N VAL A 48 -12.305 -7.871 0.647 1.00 0.00 N ATOM 711 CA VAL A 48 -11.731 -6.638 1.173 1.00 0.00 C ATOM 712 C VAL A 48 -12.821 -5.663 1.601 1.00 0.00 C ATOM 713 O VAL A 48 -13.930 -5.681 1.066 1.00 0.00 O ATOM 714 CB VAL A 48 -10.824 -5.952 0.134 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.546 -6.751 -0.069 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.564 -5.771 -1.183 1.00 0.00 C ATOM 0 H VAL A 48 -13.017 -7.732 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.132 -6.914 2.041 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.552 -4.966 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.918 -6.251 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.008 -6.824 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.795 -7.752 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.908 -5.285 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.867 -6.745 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.447 -5.153 -1.022 1.00 0.00 H new ATOM 726 N GLU A 49 -12.499 -4.810 2.568 1.00 0.00 N ATOM 727 CA GLU A 49 -13.451 -3.825 3.068 1.00 0.00 C ATOM 728 C GLU A 49 -12.764 -2.492 3.341 1.00 0.00 C ATOM 729 O GLU A 49 -11.779 -2.428 4.078 1.00 0.00 O ATOM 730 CB GLU A 49 -14.123 -4.337 4.344 1.00 0.00 C ATOM 731 CG GLU A 49 -15.043 -5.524 4.115 1.00 0.00 C ATOM 732 CD GLU A 49 -15.923 -5.819 5.313 1.00 0.00 C ATOM 733 OE1 GLU A 49 -17.015 -5.222 5.409 1.00 0.00 O ATOM 734 OE2 GLU A 49 -15.520 -6.649 6.156 1.00 0.00 O ATOM 0 H GLU A 49 -11.586 -4.781 3.021 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.211 -3.670 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.353 -4.619 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.696 -3.526 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.672 -5.329 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.443 -6.404 3.884 1.00 0.00 H new ATOM 741 N VAL A 50 -13.289 -1.428 2.742 1.00 0.00 N ATOM 742 CA VAL A 50 -12.725 -0.094 2.920 1.00 0.00 C ATOM 743 C VAL A 50 -13.698 0.818 3.661 1.00 0.00 C ATOM 744 O VAL A 50 -14.906 0.580 3.668 1.00 0.00 O ATOM 745 CB VAL A 50 -12.359 0.546 1.567 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.595 0.710 0.697 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.663 1.883 1.777 1.00 0.00 C ATOM 0 H VAL A 50 -14.104 -1.463 2.129 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.818 -0.208 3.513 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.668 -0.119 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.313 1.164 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.043 -0.267 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.315 1.351 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.413 2.319 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.326 2.558 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.751 1.732 2.354 1.00 0.00 H new ATOM 757 N GLU A 51 -13.164 1.863 4.284 1.00 0.00 N ATOM 758 CA GLU A 51 -13.984 2.813 5.027 1.00 0.00 C ATOM 759 C GLU A 51 -13.527 4.243 4.772 1.00 0.00 C ATOM 760 O GLU A 51 -12.433 4.475 4.257 1.00 0.00 O ATOM 761 CB GLU A 51 -13.928 2.505 6.525 1.00 0.00 C ATOM 762 CG GLU A 51 -15.243 2.753 7.247 1.00 0.00 C ATOM 763 CD GLU A 51 -16.397 1.985 6.636 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.297 0.743 6.535 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.401 2.623 6.258 1.00 0.00 O ATOM 0 H GLU A 51 -12.166 2.074 4.289 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.013 2.714 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.638 1.463 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.150 3.115 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.137 2.470 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.469 3.819 7.226 1.00 0.00 H new ATOM 772 N ASP A 52 -14.374 5.200 5.134 1.00 0.00 N ATOM 773 CA ASP A 52 -14.062 6.610 4.942 1.00 0.00 C ATOM 774 C ASP A 52 -14.734 7.465 6.013 1.00 0.00 C ATOM 775 O ASP A 52 -15.927 7.317 6.281 1.00 0.00 O ATOM 776 CB ASP A 52 -14.506 7.060 3.549 1.00 0.00 C ATOM 777 CG ASP A 52 -14.286 8.542 3.314 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.306 9.091 3.862 1.00 0.00 O ATOM 779 OD2 ASP A 52 -15.092 9.154 2.582 1.00 0.00 O ATOM 0 H ASP A 52 -15.283 5.024 5.562 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.983 6.740 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.959 6.492 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.563 6.828 3.417 1.00 0.00 H new ATOM 784 N THR A 53 -13.961 8.359 6.620 1.00 0.00 N ATOM 785 CA THR A 53 -14.481 9.238 7.661 1.00 0.00 C ATOM 786 C THR A 53 -14.854 10.601 7.086 1.00 0.00 C ATOM 787 O THR A 53 -16.033 10.924 6.941 1.00 0.00 O ATOM 788 CB THR A 53 -13.450 9.408 8.778 1.00 0.00 C ATOM 789 OG1 THR A 53 -12.266 10.003 8.280 1.00 0.00 O ATOM 790 CG2 THR A 53 -13.066 8.102 9.439 1.00 0.00 C ATOM 0 H THR A 53 -12.972 8.494 6.409 1.00 0.00 H new ATOM 0 HA THR A 53 -15.380 8.779 8.073 1.00 0.00 H new ATOM 0 HB THR A 53 -13.929 10.046 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.500 9.427 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.332 8.292 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.952 7.641 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.637 7.430 8.695 1.00 0.00 H new ATOM 798 N THR A 54 -13.840 11.396 6.758 1.00 0.00 N ATOM 799 CA THR A 54 -14.060 12.724 6.198 1.00 0.00 C ATOM 800 C THR A 54 -14.815 13.613 7.181 1.00 0.00 C ATOM 801 O THR A 54 -15.968 13.343 7.518 1.00 0.00 O ATOM 802 CB THR A 54 -14.835 12.625 4.883 1.00 0.00 C ATOM 803 OG1 THR A 54 -14.322 11.581 4.076 1.00 0.00 O ATOM 804 CG2 THR A 54 -14.796 13.899 4.067 1.00 0.00 C ATOM 0 H THR A 54 -12.858 11.143 6.871 1.00 0.00 H new ATOM 0 HA THR A 54 -13.086 13.174 6.005 1.00 0.00 H new ATOM 0 HB THR A 54 -15.868 12.430 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.063 11.046 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.365 13.760 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.233 14.714 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.762 14.142 3.821 1.00 0.00 H new ATOM 812 N LEU A 55 -14.157 14.674 7.639 1.00 0.00 N ATOM 813 CA LEU A 55 -14.767 15.602 8.584 1.00 0.00 C ATOM 814 C LEU A 55 -16.026 16.230 7.994 1.00 0.00 C ATOM 815 O LEU A 55 -17.073 16.269 8.641 1.00 0.00 O ATOM 816 CB LEU A 55 -13.770 16.696 8.970 1.00 0.00 C ATOM 817 CG LEU A 55 -12.577 16.223 9.802 1.00 0.00 C ATOM 818 CD1 LEU A 55 -11.480 17.275 9.810 1.00 0.00 C ATOM 819 CD2 LEU A 55 -13.016 15.896 11.221 1.00 0.00 C ATOM 0 H LEU A 55 -13.202 14.912 7.371 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.046 15.042 9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.395 17.162 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.300 17.468 9.529 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.177 15.317 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.640 16.920 10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.147 17.461 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.866 18.200 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.155 15.561 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.441 16.786 11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.767 15.106 11.197 1.00 0.00 H new ATOM 831 N ASN A 56 -15.916 16.719 6.763 1.00 0.00 N ATOM 832 CA ASN A 56 -17.046 17.345 6.087 1.00 0.00 C ATOM 833 C ASN A 56 -17.115 16.910 4.626 1.00 0.00 C ATOM 834 O ASN A 56 -17.962 16.099 4.250 1.00 0.00 O ATOM 835 CB ASN A 56 -16.940 18.868 6.174 1.00 0.00 C ATOM 836 CG ASN A 56 -17.671 19.432 7.377 1.00 0.00 C ATOM 837 OD1 ASN A 56 -18.700 20.094 7.239 1.00 0.00 O ATOM 838 ND2 ASN A 56 -17.143 19.170 8.566 1.00 0.00 N ATOM 0 H ASN A 56 -15.057 16.694 6.214 1.00 0.00 H new ATOM 0 HA ASN A 56 -17.960 17.023 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.889 19.154 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.348 19.310 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.592 19.522 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.289 18.617 8.634 1.00 0.00 H new ATOM 845 N ARG A 57 -16.219 17.454 3.810 1.00 0.00 N ATOM 846 CA ARG A 57 -16.178 17.122 2.390 1.00 0.00 C ATOM 847 C ARG A 57 -14.825 16.529 2.009 1.00 0.00 C ATOM 848 O ARG A 57 -14.744 15.393 1.540 1.00 0.00 O ATOM 849 CB ARG A 57 -16.458 18.366 1.544 1.00 0.00 C ATOM 850 CG ARG A 57 -17.836 18.963 1.780 1.00 0.00 C ATOM 851 CD ARG A 57 -17.750 20.323 2.454 1.00 0.00 C ATOM 852 NE ARG A 57 -19.018 21.047 2.392 1.00 0.00 N ATOM 853 CZ ARG A 57 -20.058 20.791 3.184 1.00 0.00 C ATOM 854 NH1 ARG A 57 -19.984 19.832 4.097 1.00 0.00 N ATOM 855 NH2 ARG A 57 -21.173 21.497 3.060 1.00 0.00 N ATOM 0 H ARG A 57 -15.512 18.126 4.107 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.950 16.378 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.702 19.121 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.358 18.108 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.358 19.061 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.425 18.286 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.457 20.193 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.970 20.916 1.976 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.112 21.792 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -19.128 19.286 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.783 19.640 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.234 22.235 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -21.970 21.302 3.666 1.00 0.00 H new ATOM 869 N CYS A 58 -13.766 17.305 2.213 1.00 0.00 N ATOM 870 CA CYS A 58 -12.416 16.856 1.891 1.00 0.00 C ATOM 871 C CYS A 58 -12.051 15.610 2.691 1.00 0.00 C ATOM 872 O CYS A 58 -12.306 15.535 3.893 1.00 0.00 O ATOM 873 CB CYS A 58 -11.405 17.970 2.170 1.00 0.00 C ATOM 874 SG CYS A 58 -11.740 19.510 1.285 1.00 0.00 S ATOM 0 H CYS A 58 -13.816 18.248 2.600 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.387 16.606 0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.392 18.174 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.409 17.618 1.901 1.00 0.00 H new ATOM 0 HG CYS A 58 -10.833 20.391 1.588 1.00 0.00 H new ATOM 880 N ALA A 59 -11.453 14.634 2.015 1.00 0.00 N ATOM 881 CA ALA A 59 -11.053 13.391 2.663 1.00 0.00 C ATOM 882 C ALA A 59 -10.015 13.647 3.751 1.00 0.00 C ATOM 883 O ALA A 59 -9.372 14.695 3.772 1.00 0.00 O ATOM 884 CB ALA A 59 -10.512 12.411 1.633 1.00 0.00 C ATOM 0 H ALA A 59 -11.235 14.680 1.020 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.934 12.956 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.217 11.487 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.285 12.195 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.646 12.848 1.135 1.00 0.00 H new ATOM 890 N THR A 60 -9.858 12.682 4.650 1.00 0.00 N ATOM 891 CA THR A 60 -8.897 12.803 5.740 1.00 0.00 C ATOM 892 C THR A 60 -8.236 11.461 6.036 1.00 0.00 C ATOM 893 O THR A 60 -7.029 11.300 5.856 1.00 0.00 O ATOM 894 CB THR A 60 -9.587 13.333 6.998 1.00 0.00 C ATOM 895 OG1 THR A 60 -10.564 12.416 7.459 1.00 0.00 O ATOM 896 CG2 THR A 60 -10.271 14.667 6.791 1.00 0.00 C ATOM 0 H THR A 60 -10.383 11.808 4.646 1.00 0.00 H new ATOM 0 HA THR A 60 -8.124 13.507 5.433 1.00 0.00 H new ATOM 0 HB THR A 60 -8.790 13.463 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.993 12.772 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.740 14.984 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.535 15.410 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.032 14.569 6.017 1.00 0.00 H new ATOM 904 N SER A 61 -9.034 10.501 6.490 1.00 0.00 N ATOM 905 CA SER A 61 -8.527 9.172 6.811 1.00 0.00 C ATOM 906 C SER A 61 -9.256 8.101 6.006 1.00 0.00 C ATOM 907 O SER A 61 -10.352 8.334 5.496 1.00 0.00 O ATOM 908 CB SER A 61 -8.679 8.893 8.307 1.00 0.00 C ATOM 909 OG SER A 61 -10.041 8.718 8.658 1.00 0.00 O ATOM 0 H SER A 61 -10.035 10.618 6.644 1.00 0.00 H new ATOM 0 HA SER A 61 -7.470 9.141 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.114 7.999 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.256 9.719 8.879 1.00 0.00 H new ATOM 0 HG SER A 61 -10.111 8.540 9.619 1.00 0.00 H new ATOM 915 N PHE A 62 -8.641 6.929 5.896 1.00 0.00 N ATOM 916 CA PHE A 62 -9.231 5.822 5.152 1.00 0.00 C ATOM 917 C PHE A 62 -8.797 4.481 5.735 1.00 0.00 C ATOM 918 O PHE A 62 -7.611 4.252 5.976 1.00 0.00 O ATOM 919 CB PHE A 62 -8.834 5.902 3.677 1.00 0.00 C ATOM 920 CG PHE A 62 -9.565 6.970 2.916 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.882 6.785 2.526 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.935 8.161 2.590 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.556 7.766 1.825 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.605 9.146 1.889 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.917 8.949 1.506 1.00 0.00 C ATOM 0 H PHE A 62 -7.734 6.721 6.313 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.315 5.900 5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.762 6.087 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.023 4.938 3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.387 5.863 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.909 8.321 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.582 7.609 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.103 10.069 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.442 9.718 0.959 1.00 0.00 H new ATOM 935 N ARG A 63 -9.764 3.598 5.961 1.00 0.00 N ATOM 936 CA ARG A 63 -9.481 2.280 6.516 1.00 0.00 C ATOM 937 C ARG A 63 -9.531 1.211 5.429 1.00 0.00 C ATOM 938 O ARG A 63 -10.437 1.202 4.595 1.00 0.00 O ATOM 939 CB ARG A 63 -10.481 1.944 7.624 1.00 0.00 C ATOM 940 CG ARG A 63 -10.345 2.827 8.854 1.00 0.00 C ATOM 941 CD ARG A 63 -11.343 2.438 9.932 1.00 0.00 C ATOM 942 NE ARG A 63 -11.865 3.604 10.642 1.00 0.00 N ATOM 943 CZ ARG A 63 -12.979 3.591 11.370 1.00 0.00 C ATOM 944 NH1 ARG A 63 -13.691 2.477 11.487 1.00 0.00 N ATOM 945 NH2 ARG A 63 -13.383 4.695 11.983 1.00 0.00 N ATOM 0 H ARG A 63 -10.750 3.771 5.768 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.476 2.299 6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.493 2.038 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.349 0.903 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.332 2.749 9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.498 3.869 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.169 1.889 9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.864 1.765 10.643 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.345 4.479 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.385 1.625 11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.544 2.473 12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.840 5.554 11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.237 4.685 12.541 1.00 0.00 H new ATOM 959 N VAL A 64 -8.553 0.311 5.444 1.00 0.00 N ATOM 960 CA VAL A 64 -8.488 -0.762 4.459 1.00 0.00 C ATOM 961 C VAL A 64 -8.262 -2.113 5.130 1.00 0.00 C ATOM 962 O VAL A 64 -7.400 -2.250 5.998 1.00 0.00 O ATOM 963 CB VAL A 64 -7.364 -0.517 3.435 1.00 0.00 C ATOM 964 CG1 VAL A 64 -7.661 0.718 2.599 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.021 -0.384 4.138 1.00 0.00 C ATOM 0 H VAL A 64 -7.795 0.304 6.127 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.447 -0.773 3.941 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.315 -1.376 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.855 0.874 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.601 0.578 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.740 1.588 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.239 -0.211 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.055 0.455 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.805 -1.301 4.687 1.00 0.00 H new ATOM 975 N LEU A 65 -9.044 -3.107 4.722 1.00 0.00 N ATOM 976 CA LEU A 65 -8.930 -4.448 5.284 1.00 0.00 C ATOM 977 C LEU A 65 -8.863 -5.495 4.177 1.00 0.00 C ATOM 978 O LEU A 65 -9.596 -5.421 3.192 1.00 0.00 O ATOM 979 CB LEU A 65 -10.116 -4.738 6.208 1.00 0.00 C ATOM 980 CG LEU A 65 -9.976 -5.992 7.075 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.140 -7.248 6.232 1.00 0.00 C ATOM 982 CD2 LEU A 65 -8.633 -6.001 7.792 1.00 0.00 C ATOM 0 H LEU A 65 -9.763 -3.009 4.005 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.008 -4.498 5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.265 -3.879 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.015 -4.835 5.599 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.766 -5.978 7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.037 -8.128 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.126 -7.249 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.374 -7.268 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.553 -6.900 8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.828 -5.989 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.555 -5.121 8.430 1.00 0.00 H new ATOM 994 N VAL A 66 -7.978 -6.473 4.348 1.00 0.00 N ATOM 995 CA VAL A 66 -7.815 -7.536 3.364 1.00 0.00 C ATOM 996 C VAL A 66 -7.817 -8.907 4.031 1.00 0.00 C ATOM 997 O VAL A 66 -7.166 -9.110 5.056 1.00 0.00 O ATOM 998 CB VAL A 66 -6.510 -7.368 2.564 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.465 -8.349 1.402 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.366 -5.937 2.069 1.00 0.00 C ATOM 0 H VAL A 66 -7.364 -6.550 5.159 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.661 -7.466 2.681 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.671 -7.585 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.536 -8.215 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.516 -9.368 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.311 -8.167 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.438 -5.838 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.209 -5.688 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.347 -5.257 2.921 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.551 -9.845 3.443 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.637 -11.197 3.980 1.00 0.00 C ATOM 1012 C VAL A 67 -8.385 -12.237 2.893 1.00 0.00 C ATOM 1013 O VAL A 67 -9.079 -12.269 1.878 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.016 -11.462 4.615 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.025 -12.802 5.336 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.390 -10.334 5.566 1.00 0.00 C ATOM 0 H VAL A 67 -9.095 -9.693 2.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.868 -11.282 4.748 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.761 -11.500 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.007 -12.971 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.805 -13.599 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.270 -12.797 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.367 -10.537 6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.644 -10.263 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.428 -9.393 5.017 1.00 0.00 H new ATOM 1026 N SER A 68 -7.384 -13.085 3.113 1.00 0.00 N ATOM 1027 CA SER A 68 -7.040 -14.124 2.151 1.00 0.00 C ATOM 1028 C SER A 68 -5.940 -15.031 2.695 1.00 0.00 C ATOM 1029 O SER A 68 -5.463 -14.842 3.814 1.00 0.00 O ATOM 1030 CB SER A 68 -6.592 -13.497 0.829 1.00 0.00 C ATOM 1031 OG SER A 68 -6.770 -14.397 -0.250 1.00 0.00 O ATOM 0 H SER A 68 -6.799 -13.072 3.948 1.00 0.00 H new ATOM 0 HA SER A 68 -7.930 -14.729 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.161 -12.586 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.543 -13.209 0.897 1.00 0.00 H new ATOM 0 HG SER A 68 -6.096 -14.220 -0.939 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.543 -16.014 1.895 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.498 -16.952 2.293 1.00 0.00 C ATOM 1039 C ALA A 69 -3.149 -16.570 1.690 1.00 0.00 C ATOM 1040 O ALA A 69 -2.102 -17.011 2.162 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.878 -18.367 1.884 1.00 0.00 C ATOM 0 H ALA A 69 -5.929 -16.183 0.966 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.403 -16.909 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.090 -19.057 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.813 -18.648 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.004 -18.412 0.802 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.177 -15.747 0.643 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.953 -15.310 -0.019 1.00 0.00 C ATOM 1049 C LYS A 70 -0.991 -14.666 0.977 1.00 0.00 C ATOM 1050 O LYS A 70 0.226 -14.726 0.807 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.280 -14.322 -1.140 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.290 -14.361 -2.294 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.746 -12.980 -2.613 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.647 -12.753 -4.113 1.00 0.00 C ATOM 1055 NZ LYS A 70 -0.092 -13.941 -4.821 1.00 0.00 N ATOM 0 H LYS A 70 -4.034 -15.371 0.237 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.469 -16.188 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.278 -14.536 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.305 -13.313 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.465 -15.028 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.777 -14.774 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.393 -12.222 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.239 -12.862 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.635 -12.523 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.015 -11.887 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.437 -13.629 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.545 -14.459 -4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.870 -14.565 -5.115 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.549 -14.051 2.016 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.741 -13.395 3.039 1.00 0.00 C ATOM 1071 C PHE A 71 -0.091 -14.421 3.962 1.00 0.00 C ATOM 1072 O PHE A 71 0.999 -14.193 4.487 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.603 -12.433 3.857 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.889 -11.137 3.153 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.952 -10.117 3.142 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.097 -10.939 2.502 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.212 -8.924 2.496 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.362 -9.748 1.854 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.419 -8.739 1.851 1.00 0.00 C ATOM 0 H PHE A 71 -2.555 -13.993 2.171 1.00 0.00 H new ATOM 0 HA PHE A 71 0.047 -12.833 2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.547 -12.921 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.101 -12.221 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.006 -10.256 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.839 -11.724 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.472 -8.137 2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.306 -9.606 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.625 -7.807 1.345 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.766 -15.550 4.157 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.253 -16.609 5.018 1.00 0.00 C ATOM 1091 C GLU A 72 1.098 -17.113 4.517 1.00 0.00 C ATOM 1092 O GLU A 72 1.944 -17.534 5.303 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.254 -17.764 5.085 1.00 0.00 C ATOM 1094 CG GLU A 72 -2.037 -17.814 6.386 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.251 -18.446 7.517 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.523 -17.712 8.218 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.360 -19.677 7.702 1.00 0.00 O ATOM 0 H GLU A 72 -1.670 -15.754 3.730 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.115 -16.199 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.953 -17.677 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.720 -18.705 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.326 -16.802 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.958 -18.376 6.230 1.00 0.00 H new ATOM 1104 N GLY A 73 1.291 -17.065 3.202 1.00 0.00 N ATOM 1105 CA GLY A 73 2.540 -17.518 2.621 1.00 0.00 C ATOM 1106 C GLY A 73 3.707 -16.618 2.976 1.00 0.00 C ATOM 1107 O GLY A 73 4.847 -17.073 3.068 1.00 0.00 O ATOM 0 H GLY A 73 0.605 -16.721 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.750 -18.531 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.437 -17.563 1.537 1.00 0.00 H new ATOM 1111 N LYS A 74 3.420 -15.335 3.178 1.00 0.00 N ATOM 1112 CA LYS A 74 4.453 -14.367 3.526 1.00 0.00 C ATOM 1113 C LYS A 74 4.380 -14.003 5.007 1.00 0.00 C ATOM 1114 O LYS A 74 3.321 -14.101 5.626 1.00 0.00 O ATOM 1115 CB LYS A 74 4.307 -13.107 2.671 1.00 0.00 C ATOM 1116 CG LYS A 74 4.144 -13.394 1.187 1.00 0.00 C ATOM 1117 CD LYS A 74 3.667 -12.165 0.430 1.00 0.00 C ATOM 1118 CE LYS A 74 2.598 -12.519 -0.591 1.00 0.00 C ATOM 1119 NZ LYS A 74 1.230 -12.475 -0.005 1.00 0.00 N ATOM 0 H LYS A 74 2.481 -14.943 3.107 1.00 0.00 H new ATOM 0 HA LYS A 74 5.424 -14.821 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.444 -12.539 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.184 -12.476 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.095 -13.730 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.431 -14.207 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.271 -11.434 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.512 -11.696 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.655 -11.826 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.791 -13.516 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.794 -13.417 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.289 -12.190 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.650 -11.787 -0.527 1.00 0.00 H new ATOM 1133 N PRO A 75 5.510 -13.576 5.597 1.00 0.00 N ATOM 1134 CA PRO A 75 5.567 -13.197 7.013 1.00 0.00 C ATOM 1135 C PRO A 75 4.676 -12.000 7.326 1.00 0.00 C ATOM 1136 O PRO A 75 4.295 -11.246 6.430 1.00 0.00 O ATOM 1137 CB PRO A 75 7.041 -12.839 7.237 1.00 0.00 C ATOM 1138 CG PRO A 75 7.578 -12.543 5.878 1.00 0.00 C ATOM 1139 CD PRO A 75 6.817 -13.428 4.934 1.00 0.00 C ATOM 0 HA PRO A 75 5.211 -13.998 7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.142 -11.978 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.581 -13.663 7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.441 -11.492 5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.648 -12.746 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.720 -12.976 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.311 -14.390 4.796 1.00 0.00 H new ATOM 1147 N LEU A 76 4.345 -11.832 8.603 1.00 0.00 N ATOM 1148 CA LEU A 76 3.496 -10.727 9.036 1.00 0.00 C ATOM 1149 C LEU A 76 4.103 -9.383 8.645 1.00 0.00 C ATOM 1150 O LEU A 76 3.386 -8.448 8.288 1.00 0.00 O ATOM 1151 CB LEU A 76 3.286 -10.783 10.550 1.00 0.00 C ATOM 1152 CG LEU A 76 1.967 -10.187 11.044 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.474 -10.927 12.277 1.00 0.00 C ATOM 1154 CD2 LEU A 76 2.134 -8.704 11.341 1.00 0.00 C ATOM 0 H LEU A 76 4.652 -12.447 9.356 1.00 0.00 H new ATOM 0 HA LEU A 76 2.532 -10.827 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.339 -11.823 10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.109 -10.258 11.035 1.00 0.00 H new ATOM 0 HG LEU A 76 1.221 -10.300 10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.535 -10.488 12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.317 -11.977 12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.217 -10.847 13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.187 -8.294 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.894 -8.570 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.441 -8.184 10.434 1.00 0.00 H new ATOM 1166 N LEU A 77 5.427 -9.293 8.716 1.00 0.00 N ATOM 1167 CA LEU A 77 6.128 -8.062 8.370 1.00 0.00 C ATOM 1168 C LEU A 77 5.939 -7.723 6.895 1.00 0.00 C ATOM 1169 O LEU A 77 5.876 -6.553 6.520 1.00 0.00 O ATOM 1170 CB LEU A 77 7.619 -8.193 8.687 1.00 0.00 C ATOM 1171 CG LEU A 77 8.294 -9.449 8.129 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.588 -9.091 7.415 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.558 -10.453 9.242 1.00 0.00 C ATOM 0 H LEU A 77 6.036 -10.057 9.010 1.00 0.00 H new ATOM 0 HA LEU A 77 5.705 -7.254 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.136 -7.317 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.747 -8.181 9.769 1.00 0.00 H new ATOM 0 HG LEU A 77 7.620 -9.907 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.052 -9.998 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.373 -8.411 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.268 -8.607 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.038 -11.339 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.211 -10.004 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.614 -10.736 9.708 1.00 0.00 H new ATOM 1185 N GLN A 78 5.848 -8.755 6.062 1.00 0.00 N ATOM 1186 CA GLN A 78 5.666 -8.566 4.627 1.00 0.00 C ATOM 1187 C GLN A 78 4.233 -8.147 4.309 1.00 0.00 C ATOM 1188 O GLN A 78 3.987 -7.435 3.335 1.00 0.00 O ATOM 1189 CB GLN A 78 6.013 -9.851 3.874 1.00 0.00 C ATOM 1190 CG GLN A 78 7.451 -9.897 3.384 1.00 0.00 C ATOM 1191 CD GLN A 78 7.607 -10.711 2.113 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.508 -11.937 2.132 1.00 0.00 O ATOM 1193 NE2 GLN A 78 7.855 -10.028 1.001 1.00 0.00 N ATOM 0 H GLN A 78 5.897 -9.730 6.356 1.00 0.00 H new ATOM 0 HA GLN A 78 6.337 -7.771 4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.832 -10.705 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.343 -9.955 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.803 -8.881 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.083 -10.322 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.929 -9.011 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.972 -10.520 0.115 1.00 0.00 H new ATOM 1202 N ARG A 79 3.292 -8.594 5.134 1.00 0.00 N ATOM 1203 CA ARG A 79 1.884 -8.265 4.938 1.00 0.00 C ATOM 1204 C ARG A 79 1.667 -6.756 4.962 1.00 0.00 C ATOM 1205 O ARG A 79 1.143 -6.179 4.009 1.00 0.00 O ATOM 1206 CB ARG A 79 1.029 -8.931 6.019 1.00 0.00 C ATOM 1207 CG ARG A 79 1.212 -10.438 6.097 1.00 0.00 C ATOM 1208 CD ARG A 79 0.078 -11.097 6.866 1.00 0.00 C ATOM 1209 NE ARG A 79 0.300 -12.530 7.047 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.457 -13.305 7.820 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -1.486 -12.791 8.483 1.00 0.00 N ATOM 1212 NH2 ARG A 79 -0.184 -14.598 7.931 1.00 0.00 N ATOM 0 H ARG A 79 3.478 -9.185 5.944 1.00 0.00 H new ATOM 0 HA ARG A 79 1.582 -8.641 3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.275 -8.493 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.021 -8.710 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.259 -10.853 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.162 -10.666 6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.024 -10.620 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.860 -10.940 6.334 1.00 0.00 H new ATOM 0 HE ARG A 79 1.081 -12.961 6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.700 -11.797 8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.063 -13.390 9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.606 -14.998 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.764 -15.193 8.523 1.00 0.00 H new ATOM 1226 N HIS A 80 2.074 -6.121 6.056 1.00 0.00 N ATOM 1227 CA HIS A 80 1.923 -4.678 6.204 1.00 0.00 C ATOM 1228 C HIS A 80 2.754 -3.934 5.164 1.00 0.00 C ATOM 1229 O HIS A 80 2.280 -2.981 4.543 1.00 0.00 O ATOM 1230 CB HIS A 80 2.336 -4.242 7.610 1.00 0.00 C ATOM 1231 CG HIS A 80 1.581 -4.939 8.699 1.00 0.00 C ATOM 1232 ND1 HIS A 80 1.691 -4.597 10.030 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.698 -5.965 8.648 1.00 0.00 C ATOM 1234 CE1 HIS A 80 0.911 -5.382 10.751 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.297 -6.220 9.937 1.00 0.00 N ATOM 0 H HIS A 80 2.511 -6.583 6.853 1.00 0.00 H new ATOM 0 HA HIS A 80 0.873 -4.431 6.048 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.402 -4.429 7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.187 -3.167 7.707 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.370 -6.485 7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.795 -5.345 11.824 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.368 -6.940 10.219 1.00 0.00 H new ATOM 1244 N ARG A 81 3.995 -4.373 4.979 1.00 0.00 N ATOM 1245 CA ARG A 81 4.891 -3.747 4.014 1.00 0.00 C ATOM 1246 C ARG A 81 4.309 -3.812 2.605 1.00 0.00 C ATOM 1247 O ARG A 81 4.425 -2.862 1.832 1.00 0.00 O ATOM 1248 CB ARG A 81 6.262 -4.428 4.047 1.00 0.00 C ATOM 1249 CG ARG A 81 7.426 -3.450 4.040 1.00 0.00 C ATOM 1250 CD ARG A 81 8.747 -4.159 3.789 1.00 0.00 C ATOM 1251 NE ARG A 81 9.161 -4.067 2.391 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.141 -4.792 1.858 1.00 0.00 C ATOM 1253 NH1 ARG A 81 10.810 -5.665 2.602 1.00 0.00 N ATOM 1254 NH2 ARG A 81 10.453 -4.646 0.577 1.00 0.00 N ATOM 0 H ARG A 81 4.403 -5.160 5.485 1.00 0.00 H new ATOM 0 HA ARG A 81 5.006 -2.698 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.327 -5.052 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.350 -5.091 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.264 -2.696 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.468 -2.926 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.518 -3.724 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.655 -5.208 4.071 1.00 0.00 H new ATOM 0 HE ARG A 81 8.669 -3.408 1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.573 -5.782 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.560 -6.218 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.942 -3.978 0.000 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.204 -5.202 0.169 1.00 0.00 H new ATOM 1268 N LEU A 82 3.684 -4.938 2.280 1.00 0.00 N ATOM 1269 CA LEU A 82 3.084 -5.127 0.965 1.00 0.00 C ATOM 1270 C LEU A 82 2.001 -4.083 0.705 1.00 0.00 C ATOM 1271 O LEU A 82 1.955 -3.475 -0.364 1.00 0.00 O ATOM 1272 CB LEU A 82 2.494 -6.534 0.848 1.00 0.00 C ATOM 1273 CG LEU A 82 3.443 -7.588 0.275 1.00 0.00 C ATOM 1274 CD1 LEU A 82 3.048 -8.977 0.751 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.452 -7.526 -1.245 1.00 0.00 C ATOM 0 H LEU A 82 3.580 -5.734 2.909 1.00 0.00 H new ATOM 0 HA LEU A 82 3.866 -5.006 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.169 -6.859 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.605 -6.488 0.219 1.00 0.00 H new ATOM 0 HG LEU A 82 4.450 -7.376 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.734 -9.714 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.093 -9.015 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.033 -9.199 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.132 -8.283 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.447 -7.712 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.784 -6.539 -1.567 1.00 0.00 H new ATOM 1287 N VAL A 83 1.131 -3.884 1.690 1.00 0.00 N ATOM 1288 CA VAL A 83 0.049 -2.915 1.568 1.00 0.00 C ATOM 1289 C VAL A 83 0.592 -1.511 1.322 1.00 0.00 C ATOM 1290 O VAL A 83 0.042 -0.751 0.525 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.835 -2.897 2.829 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.066 -2.032 2.608 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.232 -4.311 3.222 1.00 0.00 C ATOM 0 H VAL A 83 1.155 -4.381 2.581 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.555 -3.223 0.714 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.259 -2.465 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.678 -2.032 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.758 -1.012 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.646 -2.431 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.856 -4.279 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.789 -4.773 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.336 -4.897 3.427 1.00 0.00 H new ATOM 1303 N ASN A 84 1.678 -1.174 2.012 1.00 0.00 N ATOM 1304 CA ASN A 84 2.295 0.139 1.869 1.00 0.00 C ATOM 1305 C ASN A 84 2.862 0.324 0.465 1.00 0.00 C ATOM 1306 O ASN A 84 2.898 1.438 -0.059 1.00 0.00 O ATOM 1307 CB ASN A 84 3.406 0.318 2.906 1.00 0.00 C ATOM 1308 CG ASN A 84 2.875 0.787 4.247 1.00 0.00 C ATOM 1309 OD1 ASN A 84 3.129 1.915 4.668 1.00 0.00 O ATOM 1310 ND2 ASN A 84 2.132 -0.081 4.925 1.00 0.00 N ATOM 0 H ASN A 84 2.147 -1.791 2.674 1.00 0.00 H new ATOM 0 HA ASN A 84 1.526 0.894 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.933 -0.627 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.134 1.039 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.747 0.178 5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.947 -1.006 4.537 1.00 0.00 H new ATOM 1317 N GLU A 85 3.303 -0.775 -0.139 1.00 0.00 N ATOM 1318 CA GLU A 85 3.868 -0.733 -1.483 1.00 0.00 C ATOM 1319 C GLU A 85 2.803 -0.361 -2.511 1.00 0.00 C ATOM 1320 O GLU A 85 3.076 0.361 -3.469 1.00 0.00 O ATOM 1321 CB GLU A 85 4.486 -2.086 -1.841 1.00 0.00 C ATOM 1322 CG GLU A 85 5.733 -2.416 -1.037 1.00 0.00 C ATOM 1323 CD GLU A 85 6.742 -3.222 -1.830 1.00 0.00 C ATOM 1324 OE1 GLU A 85 6.822 -3.027 -3.062 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.452 -4.050 -1.221 1.00 0.00 O ATOM 0 H GLU A 85 3.280 -1.704 0.280 1.00 0.00 H new ATOM 0 HA GLU A 85 4.645 0.031 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.744 -2.869 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.735 -2.093 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.198 -1.490 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.448 -2.974 -0.145 1.00 0.00 H new ATOM 1332 N CYS A 86 1.589 -0.859 -2.304 1.00 0.00 N ATOM 1333 CA CYS A 86 0.483 -0.580 -3.211 1.00 0.00 C ATOM 1334 C CYS A 86 0.186 0.915 -3.265 1.00 0.00 C ATOM 1335 O CYS A 86 0.265 1.536 -4.325 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.769 -1.345 -2.776 1.00 0.00 C ATOM 1337 SG CYS A 86 -2.037 -1.478 -4.057 1.00 0.00 S ATOM 0 H CYS A 86 1.346 -1.458 -1.515 1.00 0.00 H new ATOM 0 HA CYS A 86 0.774 -0.911 -4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.478 -2.348 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.199 -0.851 -1.905 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.183 -1.747 -3.506 1.00 0.00 H new ATOM 1343 N LEU A 87 -0.157 1.486 -2.115 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.466 2.910 -2.030 1.00 0.00 C ATOM 1345 C LEU A 87 0.701 3.685 -1.425 1.00 0.00 C ATOM 1346 O LEU A 87 0.509 4.542 -0.562 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.730 3.129 -1.197 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.848 2.114 -1.436 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.908 2.222 -0.351 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.467 2.316 -2.811 1.00 0.00 C ATOM 0 H LEU A 87 -0.228 0.985 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.638 3.281 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.459 3.106 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.116 4.127 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.418 1.113 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.696 1.492 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.455 2.026 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.334 3.225 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.261 1.585 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.882 3.322 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.702 2.186 -3.577 1.00 0.00 H new ATOM 1362 N ALA A 88 1.910 3.376 -1.882 1.00 0.00 N ATOM 1363 CA ALA A 88 3.108 4.042 -1.386 1.00 0.00 C ATOM 1364 C ALA A 88 3.091 5.529 -1.720 1.00 0.00 C ATOM 1365 O ALA A 88 3.336 6.372 -0.858 1.00 0.00 O ATOM 1366 CB ALA A 88 4.352 3.384 -1.962 1.00 0.00 C ATOM 0 H ALA A 88 2.086 2.668 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 88 3.125 3.942 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.240 3.891 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.379 2.335 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.330 3.454 -3.050 1.00 0.00 H new ATOM 1372 N GLU A 89 2.804 5.846 -2.978 1.00 0.00 N ATOM 1373 CA GLU A 89 2.758 7.233 -3.427 1.00 0.00 C ATOM 1374 C GLU A 89 1.491 7.928 -2.938 1.00 0.00 C ATOM 1375 O GLU A 89 1.501 9.122 -2.640 1.00 0.00 O ATOM 1376 CB GLU A 89 2.833 7.300 -4.953 1.00 0.00 C ATOM 1377 CG GLU A 89 3.965 6.476 -5.544 1.00 0.00 C ATOM 1378 CD GLU A 89 3.906 6.405 -7.057 1.00 0.00 C ATOM 1379 OE1 GLU A 89 3.691 7.457 -7.693 1.00 0.00 O ATOM 1380 OE2 GLU A 89 4.074 5.295 -7.606 1.00 0.00 O ATOM 0 H GLU A 89 2.600 5.161 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 89 3.618 7.751 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.887 6.954 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.955 8.340 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.919 6.907 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.927 5.466 -5.135 1.00 0.00 H new ATOM 1387 N GLU A 90 0.400 7.173 -2.862 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.878 7.716 -2.414 1.00 0.00 C ATOM 1389 C GLU A 90 -0.895 7.923 -0.901 1.00 0.00 C ATOM 1390 O GLU A 90 -1.582 8.810 -0.396 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.021 6.787 -2.825 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.461 6.964 -4.269 1.00 0.00 C ATOM 1393 CD GLU A 90 -1.848 5.932 -5.195 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.739 5.443 -4.890 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -2.475 5.612 -6.226 1.00 0.00 O ATOM 0 H GLU A 90 0.375 6.183 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.013 8.687 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.710 5.753 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.874 6.963 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.548 6.897 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.185 7.962 -4.609 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.145 7.093 -0.182 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.084 7.179 1.277 1.00 0.00 C ATOM 1404 C LEU A 91 0.200 8.608 1.743 1.00 0.00 C ATOM 1405 O LEU A 91 -0.582 9.187 2.496 1.00 0.00 O ATOM 1406 CB LEU A 91 0.982 6.225 1.821 1.00 0.00 C ATOM 1407 CG LEU A 91 0.440 4.915 2.397 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.572 4.078 2.974 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.614 5.195 3.457 1.00 0.00 C ATOM 0 H LEU A 91 0.430 6.353 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.059 6.887 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.682 5.990 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.548 6.740 2.598 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.027 4.350 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.168 3.150 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.292 3.848 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.068 4.635 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.988 4.252 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.172 5.780 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.438 5.754 3.012 1.00 0.00 H new ATOM 1421 N PRO A 92 1.326 9.199 1.303 1.00 0.00 N ATOM 1422 CA PRO A 92 1.701 10.564 1.685 1.00 0.00 C ATOM 1423 C PRO A 92 0.529 11.538 1.601 1.00 0.00 C ATOM 1424 O PRO A 92 0.444 12.490 2.377 1.00 0.00 O ATOM 1425 CB PRO A 92 2.771 10.927 0.657 1.00 0.00 C ATOM 1426 CG PRO A 92 3.404 9.626 0.298 1.00 0.00 C ATOM 1427 CD PRO A 92 2.320 8.583 0.404 1.00 0.00 C ATOM 0 HA PRO A 92 2.039 10.622 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.334 11.410 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.501 11.622 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.814 9.659 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.231 9.397 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.890 8.353 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.703 7.648 0.812 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.374 11.292 0.656 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.541 12.146 0.474 1.00 0.00 C ATOM 1437 C HIS A 93 -2.575 11.895 1.566 1.00 0.00 C ATOM 1438 O HIS A 93 -3.302 12.804 1.968 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.166 11.903 -0.901 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.323 12.391 -2.038 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.616 13.530 -2.757 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.187 11.889 -2.578 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -0.698 13.707 -3.692 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.180 12.726 -3.603 1.00 0.00 N ATOM 0 H HIS A 93 -0.319 10.508 0.005 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.215 13.184 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.346 10.835 -1.025 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.137 12.397 -0.942 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.333 10.997 -2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.671 14.516 -4.407 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.999 12.608 -4.199 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.636 10.656 2.041 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.580 10.281 3.088 1.00 0.00 C ATOM 1455 C ILE A 94 -3.136 10.814 4.446 1.00 0.00 C ATOM 1456 O ILE A 94 -2.084 10.430 4.960 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.741 8.751 3.182 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.969 8.150 1.794 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.887 8.393 4.118 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.264 8.592 1.150 1.00 0.00 C ATOM 0 H ILE A 94 -2.042 9.893 1.717 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.539 10.725 2.819 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.822 8.331 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.137 8.427 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.964 7.063 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.987 7.309 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.682 8.789 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.814 8.824 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.359 8.127 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.103 8.291 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.264 9.676 1.039 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.943 11.695 5.026 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.631 12.274 6.327 1.00 0.00 C ATOM 1474 C HIS A 95 -3.534 11.185 7.391 1.00 0.00 C ATOM 1475 O HIS A 95 -2.738 11.281 8.325 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.696 13.298 6.724 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.403 13.997 8.016 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.517 13.384 9.246 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.997 15.265 8.266 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.195 14.244 10.195 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.875 15.392 9.627 1.00 0.00 N ATOM 0 H HIS A 95 -4.817 12.024 4.616 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.667 12.777 6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.788 14.041 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.660 12.795 6.803 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.805 16.033 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.194 14.042 11.256 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.584 16.236 10.120 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.350 10.148 7.237 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.360 9.033 8.176 1.00 0.00 C ATOM 1492 C ALA A 96 -4.771 7.741 7.480 1.00 0.00 C ATOM 1493 O ALA A 96 -5.891 7.621 6.985 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.293 9.329 9.339 1.00 0.00 C ATOM 0 H ALA A 96 -5.015 10.057 6.469 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.349 8.904 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.290 8.487 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.955 10.226 9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.304 9.486 8.963 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.857 6.778 7.442 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.125 5.495 6.801 1.00 0.00 C ATOM 1502 C PHE A 97 -3.941 4.343 7.783 1.00 0.00 C ATOM 1503 O PHE A 97 -3.040 4.365 8.621 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.205 5.304 5.594 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.636 4.194 4.679 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -4.572 4.424 3.684 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -3.104 2.922 4.813 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.970 3.405 2.839 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -3.499 1.899 3.972 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.433 2.140 2.984 1.00 0.00 C ATOM 0 H PHE A 97 -2.925 6.861 7.847 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.162 5.496 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.164 6.235 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.194 5.101 5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.996 5.411 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.372 2.728 5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.700 3.597 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.077 0.911 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.743 1.342 2.326 1.00 0.00 H new ATOM 1520 N GLU A 98 -4.800 3.335 7.669 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.734 2.170 8.543 1.00 0.00 C ATOM 1522 C GLU A 98 -5.087 0.900 7.777 1.00 0.00 C ATOM 1523 O GLU A 98 -6.185 0.774 7.237 1.00 0.00 O ATOM 1524 CB GLU A 98 -5.680 2.343 9.732 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.248 1.577 10.971 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.423 1.114 11.811 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.471 1.793 11.790 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.295 0.072 12.488 1.00 0.00 O ATOM 0 H GLU A 98 -5.551 3.302 6.979 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.713 2.080 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.752 3.403 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.678 2.015 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.658 0.711 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.600 2.210 11.577 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.146 -0.039 7.730 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.359 -1.299 7.027 1.00 0.00 C ATOM 1537 C GLN A 99 -4.151 -2.487 7.959 1.00 0.00 C ATOM 1538 O GLN A 99 -3.359 -2.421 8.899 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.411 -1.404 5.830 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.961 -1.107 6.176 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.319 -2.213 6.991 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -0.833 -1.981 8.098 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -1.314 -3.424 6.446 1.00 0.00 N ATOM 0 H GLN A 99 -3.230 0.049 8.170 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.389 -1.317 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.478 -2.408 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.740 -0.712 5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.394 -0.962 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.908 -0.172 6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.728 -3.571 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.896 -4.207 6.948 1.00 0.00 H new ATOM 1552 N LYS A 100 -4.869 -3.573 7.691 1.00 0.00 N ATOM 1553 CA LYS A 100 -4.763 -4.779 8.504 1.00 0.00 C ATOM 1554 C LYS A 100 -4.863 -6.029 7.636 1.00 0.00 C ATOM 1555 O LYS A 100 -5.589 -6.050 6.642 1.00 0.00 O ATOM 1556 CB LYS A 100 -5.859 -4.796 9.572 1.00 0.00 C ATOM 1557 CG LYS A 100 -5.398 -5.356 10.909 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.176 -4.748 12.064 1.00 0.00 C ATOM 1559 CE LYS A 100 -5.470 -4.978 13.391 1.00 0.00 C ATOM 1560 NZ LYS A 100 -4.673 -3.791 13.809 1.00 0.00 N ATOM 0 H LYS A 100 -5.530 -3.643 6.917 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.789 -4.775 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.226 -3.780 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.699 -5.389 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.523 -6.439 10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.334 -5.158 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.301 -3.678 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.175 -5.183 12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.208 -5.209 14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.814 -5.845 13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.207 -3.988 14.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.952 -3.586 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.302 -2.970 13.913 1.00 0.00 H new ATOM 1574 N THR A 101 -4.127 -7.069 8.016 1.00 0.00 N ATOM 1575 CA THR A 101 -4.133 -8.323 7.270 1.00 0.00 C ATOM 1576 C THR A 101 -4.503 -9.494 8.174 1.00 0.00 C ATOM 1577 O THR A 101 -3.976 -9.630 9.278 1.00 0.00 O ATOM 1578 CB THR A 101 -2.763 -8.567 6.634 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.794 -8.852 7.626 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.261 -7.391 5.825 1.00 0.00 C ATOM 0 H THR A 101 -3.519 -7.068 8.835 1.00 0.00 H new ATOM 0 HA THR A 101 -4.884 -8.245 6.483 1.00 0.00 H new ATOM 0 HB THR A 101 -2.902 -9.415 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.167 -8.102 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.285 -7.630 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.963 -7.177 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.172 -6.517 6.470 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.411 -10.339 7.696 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.852 -11.500 8.461 1.00 0.00 C ATOM 1590 C LEU A 102 -6.254 -12.640 7.530 1.00 0.00 C ATOM 1591 O LEU A 102 -6.542 -12.422 6.352 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.025 -11.124 9.370 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.729 -11.192 10.870 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.984 -10.898 11.676 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.163 -12.555 11.240 1.00 0.00 C ATOM 0 H LEU A 102 -5.855 -10.242 6.783 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.020 -11.837 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.346 -10.112 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.862 -11.786 9.150 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.983 -10.434 11.108 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.754 -10.951 12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.347 -9.900 11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.752 -11.632 11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.958 -12.586 12.310 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.886 -13.330 10.986 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.239 -12.727 10.689 1.00 0.00 H new ATOM 1607 N THR A 103 -6.274 -13.856 8.065 1.00 0.00 N ATOM 1608 CA THR A 103 -6.641 -15.031 7.284 1.00 0.00 C ATOM 1609 C THR A 103 -8.159 -15.152 7.165 1.00 0.00 C ATOM 1610 O THR A 103 -8.901 -14.554 7.946 1.00 0.00 O ATOM 1611 CB THR A 103 -6.066 -16.296 7.922 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.026 -16.171 9.333 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.666 -16.620 7.450 1.00 0.00 C ATOM 0 H THR A 103 -6.040 -14.054 9.038 1.00 0.00 H new ATOM 0 HA THR A 103 -6.223 -14.916 6.284 1.00 0.00 H new ATOM 0 HB THR A 103 -6.731 -17.103 7.615 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.256 -15.623 9.591 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.318 -17.529 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.672 -16.770 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.998 -15.795 7.698 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.642 -15.931 6.182 1.00 0.00 N ATOM 1622 CA PRO A 104 -10.079 -16.128 5.966 1.00 0.00 C ATOM 1623 C PRO A 104 -10.725 -16.947 7.079 1.00 0.00 C ATOM 1624 O PRO A 104 -11.832 -16.644 7.524 1.00 0.00 O ATOM 1625 CB PRO A 104 -10.140 -16.888 4.639 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.827 -17.584 4.541 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.828 -16.680 5.208 1.00 0.00 C ATOM 0 HA PRO A 104 -10.622 -15.183 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.967 -17.598 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.292 -16.209 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.863 -18.556 5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.557 -17.763 3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.037 -17.248 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.346 -16.015 4.491 1.00 0.00 H new ATOM 1635 N GLU A 105 -10.025 -17.985 7.524 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.530 -18.848 8.586 1.00 0.00 C ATOM 1637 C GLU A 105 -10.767 -18.053 9.866 1.00 0.00 C ATOM 1638 O GLU A 105 -11.700 -18.332 10.618 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.547 -19.989 8.855 1.00 0.00 C ATOM 1640 CG GLU A 105 -10.221 -21.286 9.272 1.00 0.00 C ATOM 1641 CD GLU A 105 -10.672 -21.270 10.719 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -10.085 -20.507 11.516 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -11.612 -22.019 11.056 1.00 0.00 O ATOM 0 H GLU A 105 -9.107 -18.249 7.166 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.481 -19.267 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.957 -20.168 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.852 -19.682 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.082 -21.467 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.530 -22.115 9.120 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.915 -17.062 10.107 1.00 0.00 N ATOM 1651 CA GLN A 106 -10.032 -16.226 11.297 1.00 0.00 C ATOM 1652 C GLN A 106 -11.191 -15.243 11.159 1.00 0.00 C ATOM 1653 O GLN A 106 -12.043 -15.144 12.043 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.728 -15.464 11.541 1.00 0.00 C ATOM 1655 CG GLN A 106 -7.650 -16.302 12.208 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.391 -15.509 12.499 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -5.604 -15.220 11.597 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.195 -15.152 13.763 1.00 0.00 N ATOM 0 H GLN A 106 -9.136 -16.818 9.495 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.230 -16.876 12.149 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.350 -15.092 10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.936 -14.593 12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.039 -16.713 13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.402 -17.147 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.874 -15.413 14.478 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.366 -14.616 14.019 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.217 -14.519 10.045 1.00 0.00 N ATOM 1668 CA TRP A 107 -12.271 -13.545 9.792 1.00 0.00 C ATOM 1669 C TRP A 107 -13.640 -14.216 9.761 1.00 0.00 C ATOM 1670 O TRP A 107 -14.573 -13.778 10.432 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.018 -12.817 8.474 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.419 -11.376 8.516 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.632 -10.857 8.177 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.609 -10.273 8.930 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.626 -9.493 8.346 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.393 -9.111 8.808 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.295 -10.155 9.388 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.905 -7.847 9.130 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.811 -8.901 9.708 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.616 -7.761 9.578 1.00 0.00 C ATOM 0 H TRP A 107 -10.520 -14.589 9.303 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.261 -12.821 10.606 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.959 -12.887 8.224 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.567 -13.318 7.677 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.475 -11.433 7.827 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.410 -8.868 8.159 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.668 -11.029 9.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.522 -6.967 9.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.797 -8.798 10.064 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.210 -6.794 9.837 1.00 0.00 H new ATOM 1691 N THR A 108 -13.753 -15.283 8.976 1.00 0.00 N ATOM 1692 CA THR A 108 -15.007 -16.016 8.856 1.00 0.00 C ATOM 1693 C THR A 108 -15.468 -16.536 10.214 1.00 0.00 C ATOM 1694 O THR A 108 -16.666 -16.668 10.465 1.00 0.00 O ATOM 1695 CB THR A 108 -14.850 -17.182 7.878 1.00 0.00 C ATOM 1696 OG1 THR A 108 -14.177 -16.764 6.704 1.00 0.00 O ATOM 1697 CG2 THR A 108 -16.169 -17.793 7.459 1.00 0.00 C ATOM 0 H THR A 108 -12.990 -15.659 8.413 1.00 0.00 H new ATOM 0 HA THR A 108 -15.763 -15.330 8.475 1.00 0.00 H new ATOM 0 HB THR A 108 -14.274 -17.935 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.278 -17.153 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.986 -18.614 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.691 -18.170 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.782 -17.036 6.971 1.00 0.00 H new ATOM 1705 N ARG A 109 -14.510 -16.827 11.088 1.00 0.00 N ATOM 1706 CA ARG A 109 -14.817 -17.331 12.420 1.00 0.00 C ATOM 1707 C ARG A 109 -15.162 -16.189 13.369 1.00 0.00 C ATOM 1708 O ARG A 109 -15.958 -16.354 14.293 1.00 0.00 O ATOM 1709 CB ARG A 109 -13.634 -18.129 12.973 1.00 0.00 C ATOM 1710 CG ARG A 109 -13.678 -19.606 12.619 1.00 0.00 C ATOM 1711 CD ARG A 109 -13.126 -20.466 13.744 1.00 0.00 C ATOM 1712 NE ARG A 109 -13.770 -20.172 15.023 1.00 0.00 N ATOM 1713 CZ ARG A 109 -15.020 -20.520 15.321 1.00 0.00 C ATOM 1714 NH1 ARG A 109 -15.764 -21.173 14.435 1.00 0.00 N ATOM 1715 NH2 ARG A 109 -15.529 -20.213 16.507 1.00 0.00 N ATOM 0 H ARG A 109 -13.514 -16.722 10.897 1.00 0.00 H new ATOM 0 HA ARG A 109 -15.684 -17.987 12.340 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -12.707 -17.700 12.592 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.611 -18.024 14.058 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -14.706 -19.900 12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.102 -19.781 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.269 -21.519 13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.052 -20.302 13.832 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.230 -19.671 15.728 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.378 -21.410 13.521 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.721 -21.437 14.669 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.963 -19.710 17.190 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.487 -20.480 16.735 1.00 0.00 H new ATOM 1729 N GLN A 110 -14.556 -15.028 13.135 1.00 0.00 N ATOM 1730 CA GLN A 110 -14.799 -13.857 13.970 1.00 0.00 C ATOM 1731 C GLN A 110 -15.576 -12.792 13.202 1.00 0.00 C ATOM 1732 O GLN A 110 -15.280 -11.601 13.299 1.00 0.00 O ATOM 1733 CB GLN A 110 -13.474 -13.278 14.470 1.00 0.00 C ATOM 1734 CG GLN A 110 -12.969 -13.930 15.747 1.00 0.00 C ATOM 1735 CD GLN A 110 -11.817 -14.884 15.500 1.00 0.00 C ATOM 1736 OE1 GLN A 110 -10.657 -14.476 15.448 1.00 0.00 O ATOM 1737 NE2 GLN A 110 -12.132 -16.165 15.344 1.00 0.00 N ATOM 0 H GLN A 110 -13.894 -14.874 12.375 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.397 -14.170 14.826 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.720 -13.392 13.691 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.596 -12.209 14.642 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.651 -13.155 16.445 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.787 -14.470 16.223 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.107 -16.460 15.395 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.399 -16.853 15.174 1.00 0.00 H new ATOM 1746 N ARG A 111 -16.572 -13.230 12.438 1.00 0.00 N ATOM 1747 CA ARG A 111 -17.392 -12.314 11.654 1.00 0.00 C ATOM 1748 C ARG A 111 -18.654 -11.923 12.418 1.00 0.00 C ATOM 1749 O ARG A 111 -19.769 -12.238 12.002 1.00 0.00 O ATOM 1750 CB ARG A 111 -17.765 -12.951 10.313 1.00 0.00 C ATOM 1751 CG ARG A 111 -16.837 -12.558 9.174 1.00 0.00 C ATOM 1752 CD ARG A 111 -17.454 -11.480 8.296 1.00 0.00 C ATOM 1753 NE ARG A 111 -16.852 -10.169 8.535 1.00 0.00 N ATOM 1754 CZ ARG A 111 -17.202 -9.362 9.534 1.00 0.00 C ATOM 1755 NH1 ARG A 111 -18.149 -9.724 10.390 1.00 0.00 N ATOM 1756 NH2 ARG A 111 -16.603 -8.188 9.677 1.00 0.00 N ATOM 0 H ARG A 111 -16.830 -14.212 12.345 1.00 0.00 H new ATOM 0 HA ARG A 111 -16.810 -11.411 11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.756 -14.036 10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.785 -12.665 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -15.892 -12.199 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -16.611 -13.436 8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -17.329 -11.751 7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -18.526 -11.427 8.486 1.00 0.00 H new ATOM 0 HE ARG A 111 -16.120 -9.854 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -18.614 -10.626 10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.412 -9.101 11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -15.875 -7.904 9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.870 -7.569 10.442 1.00 0.00 H new ATOM 1770 N ARG A 112 -18.470 -11.234 13.540 1.00 0.00 N ATOM 1771 CA ARG A 112 -19.591 -10.799 14.364 1.00 0.00 C ATOM 1772 C ARG A 112 -20.421 -11.991 14.829 1.00 0.00 C ATOM 1773 O ARG A 112 -21.635 -11.886 15.003 1.00 0.00 O ATOM 1774 CB ARG A 112 -20.473 -9.821 13.586 1.00 0.00 C ATOM 1775 CG ARG A 112 -21.042 -8.701 14.441 1.00 0.00 C ATOM 1776 CD ARG A 112 -21.114 -7.393 13.671 1.00 0.00 C ATOM 1777 NE ARG A 112 -22.301 -6.615 14.020 1.00 0.00 N ATOM 1778 CZ ARG A 112 -23.540 -6.964 13.681 1.00 0.00 C ATOM 1779 NH1 ARG A 112 -23.759 -8.074 12.986 1.00 0.00 N ATOM 1780 NH2 ARG A 112 -24.565 -6.201 14.039 1.00 0.00 N ATOM 0 H ARG A 112 -17.554 -10.965 13.899 1.00 0.00 H new ATOM 0 HA ARG A 112 -19.189 -10.295 15.243 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -19.890 -9.386 12.774 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -21.295 -10.371 13.129 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -22.039 -8.976 14.786 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -20.422 -8.568 15.328 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -20.221 -6.803 13.876 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -21.120 -7.602 12.601 1.00 0.00 H new ATOM 0 HE ARG A 112 -22.173 -5.755 14.554 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -22.975 -8.665 12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -24.711 -8.336 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -24.403 -5.348 14.574 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -25.515 -6.468 13.779 1.00 0.00 H new ATOM 1794 N GLU A 113 -19.757 -13.125 15.029 1.00 0.00 N ATOM 1795 CA GLU A 113 -20.434 -14.338 15.475 1.00 0.00 C ATOM 1796 C GLU A 113 -21.493 -14.771 14.467 1.00 0.00 C ATOM 1797 O GLU A 113 -21.161 -15.576 13.570 1.00 0.00 O ATOM 1798 CB GLU A 113 -21.078 -14.114 16.844 1.00 0.00 C ATOM 1799 CG GLU A 113 -20.160 -14.446 18.010 1.00 0.00 C ATOM 1800 CD GLU A 113 -20.883 -15.155 19.138 1.00 0.00 C ATOM 1801 OE1 GLU A 113 -21.822 -15.926 18.848 1.00 0.00 O ATOM 1802 OE2 GLU A 113 -20.509 -14.941 20.310 1.00 0.00 O ATOM 1803 OXT GLU A 113 -22.645 -14.305 14.582 1.00 0.00 O ATOM 0 H GLU A 113 -18.752 -13.229 14.890 1.00 0.00 H new ATOM 0 HA GLU A 113 -19.690 -15.130 15.557 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -21.390 -13.073 16.923 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -21.979 -14.723 16.917 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -19.342 -15.074 17.656 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.715 -13.527 18.390 1.00 0.00 H new TER 1810 GLU A 113