USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 924 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 83 GLN : amide:sc= -4.02 K(o=-4,f=-8.8!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 LYS NZ :NH3+ 157:sc= -0.275 (180deg=-0.602) USER MOD Set 2.2: A 80 CYS SG : rot 79:sc= 0.937 USER MOD Set 2.3: A 95 CYS SG : rot 110:sc= 0.603 USER MOD Set 3.1: A 54 MET CE :methyl -144:sc= -2.8! (180deg=-5.02!) USER MOD Set 3.2: A 58 CYS SG : rot 69:sc= -1.95 USER MOD Set 4.1: A 36 HIS : no HD1:sc= -0.206 X(o=-5.3,f=-4.9) USER MOD Set 4.2: A 53 HIS : no HD1:sc= -5.08! C(o=-5.3!,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.0174 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.725 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= -0.791 (180deg=-2.09!) USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= 1.39 (180deg=0.25) USER MOD Single : A 27 ASN : amide:sc= -2.25 K(o=-2.3,f=-6.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.726 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.09! C(o=-1.1!,f=-4.9!) USER MOD Single : A 44 THR OG1 : rot -15:sc= -0.233 USER MOD Single : A 46 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.38) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.0024) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=-0.54) USER MOD Single : A 67 CYS SG : rot 170:sc= -0.463 USER MOD Single : A 71 GLN : amide:sc=-0.00307 X(o=-0.0031,f=-0.14) USER MOD Single : A 86 CYS SG : rot 85:sc= -0.907 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -130:sc=-0.00456 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -158:sc= -0.466 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 72:sc= 1.1 USER MOD Single : A 110 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.5!) USER MOD Single : A 112 SER OG : rot -56:sc= 0.391 USER MOD Single : A 114 THR OG1 : rot -46:sc= 0.868 USER MOD Single : A 115 SER OG : rot -54:sc= 0.0174 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.676 -0.555 1.459 1.00 0.00 N ATOM 2 CA GLY A 1 -27.068 -1.822 1.099 1.00 0.00 C ATOM 3 C GLY A 1 -27.110 -2.082 -0.394 1.00 0.00 C ATOM 4 O GLY A 1 -28.056 -1.684 -1.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.112 -0.634 2.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.948 0.187 1.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.405 -0.309 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.032 -1.834 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.583 -2.629 1.620 1.00 0.00 H new ATOM 8 N SER A 2 -26.081 -2.749 -0.906 1.00 0.00 N ATOM 9 CA SER A 2 -26.001 -3.057 -2.329 1.00 0.00 C ATOM 10 C SER A 2 -25.343 -4.415 -2.555 1.00 0.00 C ATOM 11 O SER A 2 -24.221 -4.655 -2.111 1.00 0.00 O ATOM 12 CB SER A 2 -25.217 -1.969 -3.064 1.00 0.00 C ATOM 13 OG SER A 2 -25.528 -1.961 -4.446 1.00 0.00 O ATOM 0 H SER A 2 -25.291 -3.087 -0.357 1.00 0.00 H new ATOM 0 HA SER A 2 -27.016 -3.094 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.447 -0.996 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.148 -2.133 -2.930 1.00 0.00 H new ATOM 0 HG SER A 2 -25.015 -1.255 -4.893 1.00 0.00 H new ATOM 19 N SER A 3 -26.052 -5.300 -3.249 1.00 0.00 N ATOM 20 CA SER A 3 -25.540 -6.636 -3.532 1.00 0.00 C ATOM 21 C SER A 3 -24.892 -6.688 -4.912 1.00 0.00 C ATOM 22 O SER A 3 -25.577 -6.775 -5.930 1.00 0.00 O ATOM 23 CB SER A 3 -26.667 -7.666 -3.446 1.00 0.00 C ATOM 24 OG SER A 3 -27.715 -7.351 -4.347 1.00 0.00 O ATOM 0 H SER A 3 -26.982 -5.116 -3.625 1.00 0.00 H new ATOM 0 HA SER A 3 -24.783 -6.874 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.275 -8.658 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.056 -7.700 -2.428 1.00 0.00 H new ATOM 0 HG SER A 3 -27.335 -7.044 -5.197 1.00 0.00 H new ATOM 30 N GLY A 4 -23.563 -6.634 -4.938 1.00 0.00 N ATOM 31 CA GLY A 4 -22.843 -6.676 -6.197 1.00 0.00 C ATOM 32 C GLY A 4 -21.353 -6.460 -6.021 1.00 0.00 C ATOM 33 O GLY A 4 -20.914 -5.914 -5.009 1.00 0.00 O ATOM 0 H GLY A 4 -22.973 -6.562 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.013 -7.640 -6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.241 -5.912 -6.865 1.00 0.00 H new ATOM 37 N SER A 5 -20.574 -6.889 -7.008 1.00 0.00 N ATOM 38 CA SER A 5 -19.124 -6.744 -6.955 1.00 0.00 C ATOM 39 C SER A 5 -18.724 -5.272 -6.970 1.00 0.00 C ATOM 40 O SER A 5 -18.814 -4.603 -8.000 1.00 0.00 O ATOM 41 CB SER A 5 -18.473 -7.473 -8.132 1.00 0.00 C ATOM 42 OG SER A 5 -18.914 -8.818 -8.206 1.00 0.00 O ATOM 0 H SER A 5 -20.922 -7.340 -7.854 1.00 0.00 H new ATOM 0 HA SER A 5 -18.774 -7.188 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.713 -6.957 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.389 -7.448 -8.024 1.00 0.00 H new ATOM 0 HG SER A 5 -18.485 -9.262 -8.967 1.00 0.00 H new ATOM 48 N SER A 6 -18.282 -4.773 -5.820 1.00 0.00 N ATOM 49 CA SER A 6 -17.872 -3.379 -5.699 1.00 0.00 C ATOM 50 C SER A 6 -16.626 -3.104 -6.535 1.00 0.00 C ATOM 51 O SER A 6 -15.653 -3.855 -6.484 1.00 0.00 O ATOM 52 CB SER A 6 -17.603 -3.030 -4.234 1.00 0.00 C ATOM 53 OG SER A 6 -18.815 -2.886 -3.513 1.00 0.00 O ATOM 0 H SER A 6 -18.199 -5.313 -4.959 1.00 0.00 H new ATOM 0 HA SER A 6 -18.684 -2.754 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.995 -3.810 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.030 -2.105 -4.177 1.00 0.00 H new ATOM 0 HG SER A 6 -18.616 -2.665 -2.579 1.00 0.00 H new ATOM 59 N GLY A 7 -16.665 -2.022 -7.307 1.00 0.00 N ATOM 60 CA GLY A 7 -15.535 -1.667 -8.144 1.00 0.00 C ATOM 61 C GLY A 7 -14.364 -1.133 -7.342 1.00 0.00 C ATOM 62 O GLY A 7 -14.549 -0.365 -6.397 1.00 0.00 O ATOM 0 H GLY A 7 -17.460 -1.385 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.215 -2.543 -8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.846 -0.916 -8.870 1.00 0.00 H new ATOM 66 N PHE A 8 -13.157 -1.540 -7.718 1.00 0.00 N ATOM 67 CA PHE A 8 -11.951 -1.100 -7.025 1.00 0.00 C ATOM 68 C PHE A 8 -11.378 0.155 -7.676 1.00 0.00 C ATOM 69 O PHE A 8 -11.233 0.224 -8.897 1.00 0.00 O ATOM 70 CB PHE A 8 -10.902 -2.213 -7.025 1.00 0.00 C ATOM 71 CG PHE A 8 -11.438 -3.542 -6.574 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.716 -3.774 -5.237 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.664 -4.559 -7.487 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.208 -4.996 -4.819 1.00 0.00 C ATOM 75 CE2 PHE A 8 -12.157 -5.783 -7.076 1.00 0.00 C ATOM 76 CZ PHE A 8 -12.430 -6.001 -5.740 1.00 0.00 C ATOM 0 H PHE A 8 -12.987 -2.174 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.219 -0.864 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.494 -2.317 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.077 -1.923 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.546 -2.991 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.452 -4.393 -8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.419 -5.165 -3.773 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -12.328 -6.567 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.817 -6.956 -5.416 1.00 0.00 H new ATOM 86 N VAL A 9 -11.053 1.147 -6.852 1.00 0.00 N ATOM 87 CA VAL A 9 -10.495 2.400 -7.346 1.00 0.00 C ATOM 88 C VAL A 9 -9.289 2.147 -8.244 1.00 0.00 C ATOM 89 O VAL A 9 -9.282 2.528 -9.415 1.00 0.00 O ATOM 90 CB VAL A 9 -10.074 3.322 -6.187 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.688 4.697 -6.711 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.190 3.428 -5.159 1.00 0.00 C ATOM 0 H VAL A 9 -11.167 1.107 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.279 2.890 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.201 2.888 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.393 5.335 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.854 4.600 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.539 5.143 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.875 4.083 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.082 3.838 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.413 2.438 -4.761 1.00 0.00 H new ATOM 102 N LYS A 10 -8.269 1.502 -7.688 1.00 0.00 N ATOM 103 CA LYS A 10 -7.057 1.196 -8.438 1.00 0.00 C ATOM 104 C LYS A 10 -6.418 -0.095 -7.937 1.00 0.00 C ATOM 105 O LYS A 10 -6.394 -0.361 -6.736 1.00 0.00 O ATOM 106 CB LYS A 10 -6.057 2.350 -8.324 1.00 0.00 C ATOM 107 CG LYS A 10 -4.700 2.041 -8.933 1.00 0.00 C ATOM 108 CD LYS A 10 -3.721 3.184 -8.721 1.00 0.00 C ATOM 109 CE LYS A 10 -2.281 2.693 -8.733 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.821 2.356 -10.108 1.00 0.00 N ATOM 0 H LYS A 10 -8.258 1.181 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.331 1.062 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.474 3.230 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.925 2.603 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.299 1.130 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.814 1.851 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.858 3.932 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.932 3.674 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.632 3.461 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.192 1.814 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.835 2.026 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.424 1.606 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.882 3.201 -10.711 1.00 0.00 H new ATOM 124 N SER A 11 -5.901 -0.893 -8.866 1.00 0.00 N ATOM 125 CA SER A 11 -5.264 -2.158 -8.518 1.00 0.00 C ATOM 126 C SER A 11 -3.896 -2.279 -9.183 1.00 0.00 C ATOM 127 O SER A 11 -3.747 -2.010 -10.374 1.00 0.00 O ATOM 128 CB SER A 11 -6.152 -3.332 -8.936 1.00 0.00 C ATOM 129 OG SER A 11 -6.381 -3.326 -10.334 1.00 0.00 O ATOM 0 H SER A 11 -5.911 -0.686 -9.865 1.00 0.00 H new ATOM 0 HA SER A 11 -5.126 -2.182 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.680 -4.271 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.104 -3.278 -8.408 1.00 0.00 H new ATOM 0 HG SER A 11 -6.949 -4.087 -10.576 1.00 0.00 H new ATOM 135 N GLY A 12 -2.899 -2.685 -8.403 1.00 0.00 N ATOM 136 CA GLY A 12 -1.556 -2.834 -8.932 1.00 0.00 C ATOM 137 C GLY A 12 -0.651 -3.619 -8.004 1.00 0.00 C ATOM 138 O GLY A 12 -1.054 -3.991 -6.901 1.00 0.00 O ATOM 0 H GLY A 12 -2.997 -2.913 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.603 -3.336 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.126 -1.848 -9.105 1.00 0.00 H new ATOM 142 N TRP A 13 0.573 -3.874 -8.450 1.00 0.00 N ATOM 143 CA TRP A 13 1.538 -4.622 -7.652 1.00 0.00 C ATOM 144 C TRP A 13 2.347 -3.688 -6.760 1.00 0.00 C ATOM 145 O TRP A 13 2.749 -2.603 -7.183 1.00 0.00 O ATOM 146 CB TRP A 13 2.475 -5.419 -8.561 1.00 0.00 C ATOM 147 CG TRP A 13 1.873 -6.697 -9.061 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.356 -6.929 -10.304 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.723 -7.918 -8.328 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.895 -8.220 -10.388 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.109 -8.848 -9.190 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.050 -8.317 -7.030 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.815 -10.150 -8.792 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.757 -9.609 -6.636 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.145 -10.513 -7.515 1.00 0.00 C ATOM 0 H TRP A 13 0.921 -3.574 -9.360 1.00 0.00 H new ATOM 0 HA TRP A 13 0.986 -5.314 -7.016 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.756 -4.800 -9.413 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.391 -5.646 -8.016 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.316 -6.204 -11.103 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.463 -8.643 -11.210 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.523 -7.628 -6.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.343 -10.848 -9.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.004 -9.927 -5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.930 -11.516 -7.177 1.00 0.00 H new ATOM 166 N LEU A 14 2.585 -4.115 -5.525 1.00 0.00 N ATOM 167 CA LEU A 14 3.348 -3.315 -4.572 1.00 0.00 C ATOM 168 C LEU A 14 4.021 -4.204 -3.531 1.00 0.00 C ATOM 169 O LEU A 14 3.489 -5.250 -3.155 1.00 0.00 O ATOM 170 CB LEU A 14 2.435 -2.301 -3.881 1.00 0.00 C ATOM 171 CG LEU A 14 1.638 -1.378 -4.803 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.632 -0.564 -4.003 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.572 -0.461 -5.578 1.00 0.00 C ATOM 0 H LEU A 14 2.261 -5.010 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 14 4.123 -2.781 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.733 -2.846 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.045 -1.684 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 14 1.091 -1.994 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.074 0.087 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.058 -1.237 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.158 0.042 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.987 0.189 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.147 0.148 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.253 -1.061 -6.182 1.00 0.00 H new ATOM 185 N LEU A 15 5.191 -3.781 -3.067 1.00 0.00 N ATOM 186 CA LEU A 15 5.937 -4.537 -2.067 1.00 0.00 C ATOM 187 C LEU A 15 5.519 -4.133 -0.656 1.00 0.00 C ATOM 188 O LEU A 15 5.126 -2.991 -0.418 1.00 0.00 O ATOM 189 CB LEU A 15 7.440 -4.318 -2.249 1.00 0.00 C ATOM 190 CG LEU A 15 7.980 -4.514 -3.666 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.199 -3.636 -3.898 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.319 -5.977 -3.910 1.00 0.00 C ATOM 0 H LEU A 15 5.644 -2.918 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 15 5.712 -5.595 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.681 -3.305 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.969 -4.999 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 15 7.205 -4.219 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.570 -3.789 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.924 -2.590 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.978 -3.899 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.702 -6.098 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.076 -6.299 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.422 -6.584 -3.786 1.00 0.00 H new ATOM 204 N ARG A 16 5.610 -5.076 0.275 1.00 0.00 N ATOM 205 CA ARG A 16 5.243 -4.817 1.663 1.00 0.00 C ATOM 206 C ARG A 16 6.272 -5.416 2.617 1.00 0.00 C ATOM 207 O ARG A 16 6.382 -6.635 2.742 1.00 0.00 O ATOM 208 CB ARG A 16 3.858 -5.394 1.962 1.00 0.00 C ATOM 209 CG ARG A 16 3.335 -5.036 3.343 1.00 0.00 C ATOM 210 CD ARG A 16 1.866 -5.398 3.493 1.00 0.00 C ATOM 211 NE ARG A 16 1.686 -6.761 3.987 1.00 0.00 N ATOM 212 CZ ARG A 16 1.949 -7.131 5.236 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.402 -6.245 6.112 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.760 -8.390 5.610 1.00 0.00 N ATOM 0 H ARG A 16 5.934 -6.026 0.094 1.00 0.00 H new ATOM 0 HA ARG A 16 5.219 -3.737 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.154 -5.034 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.898 -6.479 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.919 -5.558 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.468 -3.968 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.388 -4.698 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.366 -5.292 2.530 1.00 0.00 H new ATOM 0 HE ARG A 16 1.340 -7.467 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.549 -5.277 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.603 -6.532 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.413 -9.075 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.962 -8.673 6.569 1.00 0.00 H new ATOM 228 N GLN A 17 7.023 -4.549 3.289 1.00 0.00 N ATOM 229 CA GLN A 17 8.044 -4.992 4.231 1.00 0.00 C ATOM 230 C GLN A 17 7.408 -5.627 5.463 1.00 0.00 C ATOM 231 O GLN A 17 6.867 -4.932 6.323 1.00 0.00 O ATOM 232 CB GLN A 17 8.928 -3.816 4.648 1.00 0.00 C ATOM 233 CG GLN A 17 10.202 -4.236 5.364 1.00 0.00 C ATOM 234 CD GLN A 17 10.935 -3.065 5.988 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.102 -3.000 7.206 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.377 -2.131 5.154 1.00 0.00 N ATOM 0 H GLN A 17 6.944 -3.536 3.199 1.00 0.00 H new ATOM 0 HA GLN A 17 8.660 -5.742 3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.193 -3.239 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.356 -3.155 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.956 -4.961 6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.863 -4.738 4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.216 -2.225 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.877 -1.319 5.516 1.00 0.00 H new ATOM 245 N SER A 18 7.475 -6.953 5.541 1.00 0.00 N ATOM 246 CA SER A 18 6.902 -7.682 6.666 1.00 0.00 C ATOM 247 C SER A 18 7.709 -7.441 7.938 1.00 0.00 C ATOM 248 O SER A 18 8.686 -6.690 7.936 1.00 0.00 O ATOM 249 CB SER A 18 6.852 -9.180 6.357 1.00 0.00 C ATOM 250 OG SER A 18 5.753 -9.491 5.517 1.00 0.00 O ATOM 0 H SER A 18 7.920 -7.543 4.839 1.00 0.00 H new ATOM 0 HA SER A 18 5.888 -7.316 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.780 -9.486 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.774 -9.744 7.287 1.00 0.00 H new ATOM 0 HG SER A 18 5.744 -10.454 5.333 1.00 0.00 H new ATOM 256 N THR A 19 7.294 -8.082 9.026 1.00 0.00 N ATOM 257 CA THR A 19 7.976 -7.938 10.306 1.00 0.00 C ATOM 258 C THR A 19 8.755 -9.199 10.659 1.00 0.00 C ATOM 259 O THR A 19 9.724 -9.149 11.418 1.00 0.00 O ATOM 260 CB THR A 19 6.981 -7.628 11.440 1.00 0.00 C ATOM 261 OG1 THR A 19 6.078 -6.594 11.032 1.00 0.00 O ATOM 262 CG2 THR A 19 7.715 -7.199 12.702 1.00 0.00 C ATOM 0 H THR A 19 6.488 -8.707 9.046 1.00 0.00 H new ATOM 0 HA THR A 19 8.670 -7.104 10.203 1.00 0.00 H new ATOM 0 HB THR A 19 6.418 -8.536 11.657 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.448 -6.405 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.992 -6.985 13.489 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.379 -8.000 13.027 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.301 -6.304 12.495 1.00 0.00 H new ATOM 270 N ILE A 20 8.328 -10.328 10.105 1.00 0.00 N ATOM 271 CA ILE A 20 8.988 -11.602 10.361 1.00 0.00 C ATOM 272 C ILE A 20 10.147 -11.824 9.395 1.00 0.00 C ATOM 273 O ILE A 20 11.253 -12.179 9.806 1.00 0.00 O ATOM 274 CB ILE A 20 8.004 -12.780 10.243 1.00 0.00 C ATOM 275 CG1 ILE A 20 7.034 -12.783 11.426 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.761 -14.098 10.168 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.911 -13.787 11.284 1.00 0.00 C ATOM 0 H ILE A 20 7.528 -10.387 9.476 1.00 0.00 H new ATOM 0 HA ILE A 20 9.370 -11.560 11.381 1.00 0.00 H new ATOM 0 HB ILE A 20 7.428 -12.662 9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.589 -12.997 12.340 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.607 -11.786 11.538 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.051 -14.921 10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.415 -14.093 9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.360 -14.225 11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.263 -13.734 12.159 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.332 -13.561 10.389 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.328 -14.791 11.202 1.00 0.00 H new ATOM 289 N LEU A 21 9.888 -11.611 8.110 1.00 0.00 N ATOM 290 CA LEU A 21 10.911 -11.786 7.084 1.00 0.00 C ATOM 291 C LEU A 21 11.771 -10.533 6.954 1.00 0.00 C ATOM 292 O LEU A 21 12.842 -10.562 6.347 1.00 0.00 O ATOM 293 CB LEU A 21 10.261 -12.113 5.739 1.00 0.00 C ATOM 294 CG LEU A 21 9.062 -13.062 5.786 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.111 -12.777 4.634 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.526 -14.510 5.751 1.00 0.00 C ATOM 0 H LEU A 21 8.979 -11.317 7.753 1.00 0.00 H new ATOM 0 HA LEU A 21 11.552 -12.616 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.942 -11.179 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.019 -12.549 5.088 1.00 0.00 H new ATOM 0 HG LEU A 21 8.528 -12.896 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.264 -13.461 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.752 -11.750 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.634 -12.915 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.660 -15.171 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.084 -14.691 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.167 -14.708 6.610 1.00 0.00 H new ATOM 308 N LYS A 22 11.297 -9.433 7.530 1.00 0.00 N ATOM 309 CA LYS A 22 12.024 -8.170 7.482 1.00 0.00 C ATOM 310 C LYS A 22 12.638 -7.947 6.104 1.00 0.00 C ATOM 311 O LYS A 22 13.823 -7.636 5.984 1.00 0.00 O ATOM 312 CB LYS A 22 13.120 -8.148 8.550 1.00 0.00 C ATOM 313 CG LYS A 22 12.595 -7.920 9.956 1.00 0.00 C ATOM 314 CD LYS A 22 12.420 -6.440 10.252 1.00 0.00 C ATOM 315 CE LYS A 22 13.759 -5.755 10.481 1.00 0.00 C ATOM 316 NZ LYS A 22 13.601 -4.292 10.712 1.00 0.00 N ATOM 0 H LYS A 22 10.412 -9.391 8.036 1.00 0.00 H new ATOM 0 HA LYS A 22 11.316 -7.365 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.661 -9.094 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.836 -7.363 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.640 -8.432 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.284 -8.358 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.902 -5.961 9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.791 -6.316 11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.256 -6.207 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.403 -5.919 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.536 -3.862 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.150 -3.856 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.007 -4.135 11.551 1.00 0.00 H new ATOM 330 N ARG A 23 11.823 -8.107 5.066 1.00 0.00 N ATOM 331 CA ARG A 23 12.286 -7.922 3.696 1.00 0.00 C ATOM 332 C ARG A 23 11.137 -7.498 2.786 1.00 0.00 C ATOM 333 O ARG A 23 9.976 -7.809 3.050 1.00 0.00 O ATOM 334 CB ARG A 23 12.918 -9.213 3.170 1.00 0.00 C ATOM 335 CG ARG A 23 11.904 -10.297 2.842 1.00 0.00 C ATOM 336 CD ARG A 23 12.505 -11.368 1.946 1.00 0.00 C ATOM 337 NE ARG A 23 13.325 -12.314 2.698 1.00 0.00 N ATOM 338 CZ ARG A 23 14.259 -13.079 2.144 1.00 0.00 C ATOM 339 NH1 ARG A 23 14.491 -13.009 0.841 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.964 -13.916 2.895 1.00 0.00 N ATOM 0 H ARG A 23 10.839 -8.364 5.148 1.00 0.00 H new ATOM 0 HA ARG A 23 13.037 -7.132 3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.497 -8.986 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.618 -9.595 3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.545 -10.752 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.040 -9.851 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.705 -11.906 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.112 -10.896 1.174 1.00 0.00 H new ATOM 0 HE ARG A 23 13.172 -12.392 3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.952 -12.366 0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.209 -13.598 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.789 -13.972 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.681 -14.503 2.469 1.00 0.00 H new ATOM 354 N TRP A 24 11.470 -6.786 1.715 1.00 0.00 N ATOM 355 CA TRP A 24 10.465 -6.319 0.766 1.00 0.00 C ATOM 356 C TRP A 24 9.944 -7.470 -0.087 1.00 0.00 C ATOM 357 O TRP A 24 10.684 -8.053 -0.880 1.00 0.00 O ATOM 358 CB TRP A 24 11.050 -5.227 -0.131 1.00 0.00 C ATOM 359 CG TRP A 24 11.338 -3.950 0.598 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.536 -3.559 1.125 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.410 -2.897 0.881 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.408 -2.326 1.719 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.114 -1.899 1.583 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.053 -2.700 0.609 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.505 -0.723 2.015 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.451 -1.533 1.039 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.176 -0.557 1.735 1.00 0.00 C ATOM 0 H TRP A 24 12.427 -6.520 1.482 1.00 0.00 H new ATOM 0 HA TRP A 24 9.631 -5.906 1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.971 -5.594 -0.584 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.354 -5.023 -0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.449 -4.134 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.156 -1.812 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.486 -3.446 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.062 0.031 2.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.403 -1.370 0.835 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.676 0.344 2.057 1.00 0.00 H new ATOM 378 N LYS A 25 8.667 -7.794 0.081 1.00 0.00 N ATOM 379 CA LYS A 25 8.046 -8.876 -0.674 1.00 0.00 C ATOM 380 C LYS A 25 6.918 -8.346 -1.555 1.00 0.00 C ATOM 381 O LYS A 25 6.100 -7.538 -1.116 1.00 0.00 O ATOM 382 CB LYS A 25 7.504 -9.945 0.277 1.00 0.00 C ATOM 383 CG LYS A 25 6.360 -9.459 1.151 1.00 0.00 C ATOM 384 CD LYS A 25 5.789 -10.584 1.998 1.00 0.00 C ATOM 385 CE LYS A 25 5.475 -11.811 1.157 1.00 0.00 C ATOM 386 NZ LYS A 25 6.643 -12.728 1.055 1.00 0.00 N ATOM 0 H LYS A 25 8.041 -7.322 0.734 1.00 0.00 H new ATOM 0 HA LYS A 25 8.807 -9.321 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.166 -10.801 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.315 -10.296 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.712 -8.657 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.574 -9.040 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.501 -10.850 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.882 -10.241 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.631 -12.345 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.171 -11.498 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.892 -12.863 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.453 -12.316 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.401 -13.646 1.479 1.00 0.00 H new ATOM 400 N LYS A 26 6.880 -8.808 -2.801 1.00 0.00 N ATOM 401 CA LYS A 26 5.852 -8.384 -3.743 1.00 0.00 C ATOM 402 C LYS A 26 4.470 -8.829 -3.278 1.00 0.00 C ATOM 403 O LYS A 26 4.278 -9.979 -2.885 1.00 0.00 O ATOM 404 CB LYS A 26 6.141 -8.952 -5.135 1.00 0.00 C ATOM 405 CG LYS A 26 5.587 -8.103 -6.266 1.00 0.00 C ATOM 406 CD LYS A 26 6.334 -8.349 -7.566 1.00 0.00 C ATOM 407 CE LYS A 26 5.566 -7.808 -8.762 1.00 0.00 C ATOM 408 NZ LYS A 26 4.609 -8.811 -9.306 1.00 0.00 N ATOM 0 H LYS A 26 7.550 -9.476 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 26 5.866 -7.295 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.219 -9.051 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.719 -9.954 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.529 -8.326 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.658 -7.049 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.315 -7.876 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.502 -9.418 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.023 -6.910 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.268 -7.515 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.606 -8.760 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.898 -9.764 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.654 -8.610 -8.947 1.00 0.00 H new ATOM 422 N ASN A 27 3.510 -7.911 -3.325 1.00 0.00 N ATOM 423 CA ASN A 27 2.145 -8.211 -2.909 1.00 0.00 C ATOM 424 C ASN A 27 1.134 -7.507 -3.810 1.00 0.00 C ATOM 425 O ASN A 27 1.485 -6.596 -4.559 1.00 0.00 O ATOM 426 CB ASN A 27 1.929 -7.788 -1.454 1.00 0.00 C ATOM 427 CG ASN A 27 2.824 -8.545 -0.493 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.597 -7.947 0.256 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.723 -9.869 -0.509 1.00 0.00 N ATOM 0 H ASN A 27 3.652 -6.954 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 27 1.994 -9.287 -2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.119 -6.719 -1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.887 -7.953 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.300 -10.432 0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.069 -10.323 -1.146 1.00 0.00 H new ATOM 436 N TRP A 28 -0.120 -7.937 -3.731 1.00 0.00 N ATOM 437 CA TRP A 28 -1.182 -7.348 -4.539 1.00 0.00 C ATOM 438 C TRP A 28 -2.115 -6.502 -3.680 1.00 0.00 C ATOM 439 O TRP A 28 -2.597 -6.953 -2.640 1.00 0.00 O ATOM 440 CB TRP A 28 -1.977 -8.444 -5.250 1.00 0.00 C ATOM 441 CG TRP A 28 -2.983 -7.911 -6.225 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.340 -8.049 -6.160 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.711 -7.156 -7.411 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.928 -7.426 -7.235 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.950 -6.870 -8.016 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.541 -6.693 -8.019 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.049 -6.143 -9.199 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.641 -5.972 -9.194 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.888 -5.702 -9.774 1.00 0.00 C ATOM 0 H TRP A 28 -0.426 -8.691 -3.116 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.720 -6.701 -5.285 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.285 -9.102 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.490 -9.052 -4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.873 -8.571 -5.379 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.930 -7.385 -7.421 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.576 -6.895 -7.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.009 -5.934 -9.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.743 -5.611 -9.673 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.934 -5.135 -10.692 1.00 0.00 H new ATOM 460 N PHE A 29 -2.365 -5.273 -4.119 1.00 0.00 N ATOM 461 CA PHE A 29 -3.241 -4.364 -3.389 1.00 0.00 C ATOM 462 C PHE A 29 -4.461 -3.994 -4.226 1.00 0.00 C ATOM 463 O PHE A 29 -4.454 -4.134 -5.450 1.00 0.00 O ATOM 464 CB PHE A 29 -2.478 -3.098 -2.990 1.00 0.00 C ATOM 465 CG PHE A 29 -1.495 -3.317 -1.876 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.275 -3.926 -2.120 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.792 -2.913 -0.584 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.632 -4.128 -1.097 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.888 -3.112 0.443 1.00 0.00 C ATOM 470 CZ PHE A 29 0.325 -3.721 0.186 1.00 0.00 C ATOM 0 H PHE A 29 -1.973 -4.884 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.583 -4.874 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.948 -2.713 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.193 -2.333 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.030 -4.247 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.740 -2.438 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.580 -4.604 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.130 -2.792 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.032 -3.878 0.987 1.00 0.00 H new ATOM 480 N ASP A 30 -5.508 -3.521 -3.559 1.00 0.00 N ATOM 481 CA ASP A 30 -6.736 -3.130 -4.241 1.00 0.00 C ATOM 482 C ASP A 30 -7.592 -2.235 -3.349 1.00 0.00 C ATOM 483 O ASP A 30 -8.030 -2.649 -2.274 1.00 0.00 O ATOM 484 CB ASP A 30 -7.532 -4.368 -4.655 1.00 0.00 C ATOM 485 CG ASP A 30 -6.744 -5.281 -5.574 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.587 -4.933 -6.763 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.286 -6.344 -5.106 1.00 0.00 O ATOM 0 H ASP A 30 -5.531 -3.399 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.463 -2.568 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.828 -4.921 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.449 -4.057 -5.156 1.00 0.00 H new ATOM 492 N LEU A 31 -7.825 -1.008 -3.800 1.00 0.00 N ATOM 493 CA LEU A 31 -8.627 -0.054 -3.042 1.00 0.00 C ATOM 494 C LEU A 31 -10.091 -0.115 -3.467 1.00 0.00 C ATOM 495 O LEU A 31 -10.399 -0.311 -4.642 1.00 0.00 O ATOM 496 CB LEU A 31 -8.087 1.364 -3.236 1.00 0.00 C ATOM 497 CG LEU A 31 -8.631 2.426 -2.279 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.968 2.305 -0.916 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.422 3.819 -2.854 1.00 0.00 C ATOM 0 H LEU A 31 -7.470 -0.650 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.562 -0.320 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.002 1.335 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.305 1.678 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.702 2.263 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.367 3.068 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.169 1.318 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.892 2.442 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.815 4.562 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.357 3.993 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.944 3.901 -3.807 1.00 0.00 H new ATOM 511 N TRP A 32 -10.989 0.056 -2.503 1.00 0.00 N ATOM 512 CA TRP A 32 -12.421 0.022 -2.778 1.00 0.00 C ATOM 513 C TRP A 32 -12.981 1.433 -2.919 1.00 0.00 C ATOM 514 O TRP A 32 -12.459 2.380 -2.330 1.00 0.00 O ATOM 515 CB TRP A 32 -13.157 -0.723 -1.664 1.00 0.00 C ATOM 516 CG TRP A 32 -12.829 -2.185 -1.609 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.584 -2.746 -1.634 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.759 -3.269 -1.522 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.685 -4.115 -1.568 1.00 0.00 N ATOM 520 CE2 TRP A 32 -13.008 -4.461 -1.497 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.153 -3.350 -1.460 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.606 -5.716 -1.415 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.745 -4.596 -1.378 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.972 -5.765 -1.356 1.00 0.00 C ATOM 0 H TRP A 32 -10.751 0.219 -1.525 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.573 -0.505 -3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.909 -0.266 -0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.231 -0.604 -1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.657 -2.195 -1.696 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.901 -4.768 -1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.757 -2.455 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.013 -6.618 -1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.821 -4.670 -1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.465 -6.724 -1.291 1.00 0.00 H new ATOM 535 N SER A 33 -14.047 1.566 -3.702 1.00 0.00 N ATOM 536 CA SER A 33 -14.676 2.863 -3.923 1.00 0.00 C ATOM 537 C SER A 33 -14.995 3.545 -2.596 1.00 0.00 C ATOM 538 O SER A 33 -14.972 4.772 -2.495 1.00 0.00 O ATOM 539 CB SER A 33 -15.955 2.700 -4.747 1.00 0.00 C ATOM 540 OG SER A 33 -16.461 3.958 -5.158 1.00 0.00 O ATOM 0 H SER A 33 -14.493 0.792 -4.194 1.00 0.00 H new ATOM 0 HA SER A 33 -13.975 3.490 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.751 2.083 -5.622 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.707 2.177 -4.157 1.00 0.00 H new ATOM 0 HG SER A 33 -17.277 3.826 -5.684 1.00 0.00 H new ATOM 546 N ASP A 34 -15.293 2.741 -1.582 1.00 0.00 N ATOM 547 CA ASP A 34 -15.616 3.265 -0.260 1.00 0.00 C ATOM 548 C ASP A 34 -14.355 3.717 0.469 1.00 0.00 C ATOM 549 O ASP A 34 -14.415 4.533 1.388 1.00 0.00 O ATOM 550 CB ASP A 34 -16.346 2.206 0.567 1.00 0.00 C ATOM 551 CG ASP A 34 -17.689 1.831 -0.027 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.493 2.746 -0.301 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.937 0.622 -0.218 1.00 0.00 O ATOM 0 H ASP A 34 -15.318 1.724 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.269 4.129 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.723 1.314 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.492 2.578 1.581 1.00 0.00 H new ATOM 558 N GLY A 35 -13.212 3.181 0.052 1.00 0.00 N ATOM 559 CA GLY A 35 -11.952 3.541 0.676 1.00 0.00 C ATOM 560 C GLY A 35 -11.214 2.337 1.228 1.00 0.00 C ATOM 561 O GLY A 35 -9.984 2.321 1.272 1.00 0.00 O ATOM 0 H GLY A 35 -13.136 2.504 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.320 4.047 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.139 4.250 1.483 1.00 0.00 H new ATOM 565 N HIS A 36 -11.966 1.326 1.650 1.00 0.00 N ATOM 566 CA HIS A 36 -11.376 0.112 2.203 1.00 0.00 C ATOM 567 C HIS A 36 -10.289 -0.432 1.280 1.00 0.00 C ATOM 568 O HIS A 36 -10.463 -0.483 0.062 1.00 0.00 O ATOM 569 CB HIS A 36 -12.453 -0.950 2.424 1.00 0.00 C ATOM 570 CG HIS A 36 -13.097 -0.878 3.774 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.289 -0.225 4.006 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.708 -1.384 4.968 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.605 -0.331 5.284 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.662 -1.030 5.890 1.00 0.00 N ATOM 0 H HIS A 36 -12.986 1.323 1.620 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.923 0.362 3.162 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.221 -0.842 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.010 -1.937 2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.814 -1.959 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.485 0.083 5.754 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.645 -1.268 6.882 1.00 0.00 H new ATOM 583 N LEU A 37 -9.169 -0.838 1.868 1.00 0.00 N ATOM 584 CA LEU A 37 -8.054 -1.378 1.098 1.00 0.00 C ATOM 585 C LEU A 37 -7.786 -2.832 1.474 1.00 0.00 C ATOM 586 O LEU A 37 -7.666 -3.166 2.653 1.00 0.00 O ATOM 587 CB LEU A 37 -6.795 -0.540 1.330 1.00 0.00 C ATOM 588 CG LEU A 37 -5.475 -1.176 0.893 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.383 -1.225 -0.624 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.296 -0.411 1.476 1.00 0.00 C ATOM 0 H LEU A 37 -9.009 -0.804 2.875 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.321 -1.338 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.911 0.407 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.729 -0.307 2.393 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.443 -2.198 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.437 -1.681 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.209 -1.817 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.437 -0.213 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.365 -0.878 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.324 0.621 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.354 -0.428 2.564 1.00 0.00 H new ATOM 602 N ILE A 38 -7.693 -3.691 0.465 1.00 0.00 N ATOM 603 CA ILE A 38 -7.436 -5.108 0.689 1.00 0.00 C ATOM 604 C ILE A 38 -6.363 -5.629 -0.260 1.00 0.00 C ATOM 605 O ILE A 38 -6.418 -5.393 -1.467 1.00 0.00 O ATOM 606 CB ILE A 38 -8.715 -5.947 0.510 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.822 -5.432 1.433 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.428 -7.415 0.786 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.194 -5.968 1.087 1.00 0.00 C ATOM 0 H ILE A 38 -7.792 -3.430 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.087 -5.207 1.717 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.054 -5.851 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.583 -5.704 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.844 -4.343 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.342 -7.995 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.668 -7.774 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.069 -7.529 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.929 -5.562 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.454 -5.673 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.189 -7.056 1.160 1.00 0.00 H new ATOM 621 N TYR A 39 -5.387 -6.341 0.294 1.00 0.00 N ATOM 622 CA TYR A 39 -4.300 -6.896 -0.503 1.00 0.00 C ATOM 623 C TYR A 39 -4.276 -8.419 -0.408 1.00 0.00 C ATOM 624 O TYR A 39 -4.796 -9.000 0.545 1.00 0.00 O ATOM 625 CB TYR A 39 -2.958 -6.325 -0.042 1.00 0.00 C ATOM 626 CG TYR A 39 -2.917 -5.991 1.432 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.517 -4.837 1.921 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.278 -6.831 2.337 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.481 -4.528 3.267 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.239 -6.531 3.685 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.841 -5.378 4.145 1.00 0.00 C ATOM 632 OH TYR A 39 -2.804 -5.075 5.487 1.00 0.00 O ATOM 0 H TYR A 39 -5.327 -6.547 1.291 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.468 -6.617 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.170 -7.045 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.739 -5.425 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.020 -4.170 1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.804 -7.733 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.951 -3.626 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.740 -7.195 4.375 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.605 -4.565 5.729 1.00 0.00 H new ATOM 642 N TYR A 40 -3.669 -9.058 -1.401 1.00 0.00 N ATOM 643 CA TYR A 40 -3.579 -10.513 -1.431 1.00 0.00 C ATOM 644 C TYR A 40 -2.127 -10.966 -1.553 1.00 0.00 C ATOM 645 O TYR A 40 -1.226 -10.152 -1.759 1.00 0.00 O ATOM 646 CB TYR A 40 -4.399 -11.072 -2.596 1.00 0.00 C ATOM 647 CG TYR A 40 -5.843 -10.626 -2.588 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.207 -9.372 -3.064 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.845 -11.459 -2.105 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.525 -8.960 -3.058 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.167 -11.056 -2.097 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.502 -9.806 -2.574 1.00 0.00 C ATOM 653 OH TYR A 40 -9.816 -9.400 -2.567 1.00 0.00 O ATOM 0 H TYR A 40 -3.232 -8.592 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.983 -10.896 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.938 -10.765 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.364 -12.161 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.445 -8.708 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.586 -12.438 -1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.790 -7.981 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.934 -11.716 -1.719 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.377 -10.113 -2.196 1.00 0.00 H new ATOM 663 N ASP A 41 -1.909 -12.270 -1.425 1.00 0.00 N ATOM 664 CA ASP A 41 -0.567 -12.834 -1.523 1.00 0.00 C ATOM 665 C ASP A 41 -0.097 -12.869 -2.973 1.00 0.00 C ATOM 666 O ASP A 41 1.099 -12.769 -3.251 1.00 0.00 O ATOM 667 CB ASP A 41 -0.539 -14.243 -0.930 1.00 0.00 C ATOM 668 CG ASP A 41 0.774 -14.955 -1.191 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.805 -14.522 -0.635 1.00 0.00 O ATOM 670 OD2 ASP A 41 0.770 -15.946 -1.950 1.00 0.00 O ATOM 0 H ASP A 41 -2.644 -12.956 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 41 0.111 -12.196 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.710 -14.185 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.356 -14.828 -1.352 1.00 0.00 H new ATOM 675 N ASP A 42 -1.044 -13.013 -3.894 1.00 0.00 N ATOM 676 CA ASP A 42 -0.726 -13.062 -5.316 1.00 0.00 C ATOM 677 C ASP A 42 -1.943 -12.688 -6.157 1.00 0.00 C ATOM 678 O ASP A 42 -2.985 -12.309 -5.624 1.00 0.00 O ATOM 679 CB ASP A 42 -0.233 -14.458 -5.703 1.00 0.00 C ATOM 680 CG ASP A 42 -0.922 -15.554 -4.915 1.00 0.00 C ATOM 681 OD1 ASP A 42 -1.965 -15.270 -4.290 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.418 -16.697 -4.922 1.00 0.00 O ATOM 0 H ASP A 42 -2.038 -13.098 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 42 0.066 -12.339 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.403 -14.618 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.843 -14.518 -5.540 1.00 0.00 H new ATOM 687 N GLN A 43 -1.801 -12.797 -7.474 1.00 0.00 N ATOM 688 CA GLN A 43 -2.888 -12.468 -8.389 1.00 0.00 C ATOM 689 C GLN A 43 -3.988 -13.522 -8.328 1.00 0.00 C ATOM 690 O GLN A 43 -5.050 -13.364 -8.933 1.00 0.00 O ATOM 691 CB GLN A 43 -2.360 -12.347 -9.819 1.00 0.00 C ATOM 692 CG GLN A 43 -1.953 -13.677 -10.433 1.00 0.00 C ATOM 693 CD GLN A 43 -0.618 -14.174 -9.916 1.00 0.00 C ATOM 694 OE1 GLN A 43 0.250 -13.383 -9.543 1.00 0.00 O ATOM 695 NE2 GLN A 43 -0.445 -15.490 -9.891 1.00 0.00 N ATOM 0 H GLN A 43 -0.945 -13.110 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.310 -11.511 -8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.127 -11.888 -10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.501 -11.676 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.721 -14.421 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.902 -13.572 -11.517 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.191 -16.109 -10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.434 -15.883 -9.553 1.00 0.00 H new ATOM 704 N THR A 44 -3.729 -14.600 -7.594 1.00 0.00 N ATOM 705 CA THR A 44 -4.696 -15.681 -7.456 1.00 0.00 C ATOM 706 C THR A 44 -5.829 -15.288 -6.515 1.00 0.00 C ATOM 707 O THR A 44 -6.924 -15.848 -6.578 1.00 0.00 O ATOM 708 CB THR A 44 -4.030 -16.967 -6.930 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.446 -16.726 -5.645 1.00 0.00 O ATOM 710 CG2 THR A 44 -2.961 -17.456 -7.895 1.00 0.00 C ATOM 0 H THR A 44 -2.857 -14.747 -7.086 1.00 0.00 H new ATOM 0 HA THR A 44 -5.102 -15.871 -8.450 1.00 0.00 H new ATOM 0 HB THR A 44 -4.797 -17.737 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.391 -15.760 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.505 -18.365 -7.503 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.414 -17.667 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.197 -16.688 -8.011 1.00 0.00 H new ATOM 718 N ARG A 45 -5.559 -14.323 -5.642 1.00 0.00 N ATOM 719 CA ARG A 45 -6.557 -13.855 -4.688 1.00 0.00 C ATOM 720 C ARG A 45 -7.161 -15.025 -3.916 1.00 0.00 C ATOM 721 O ARG A 45 -8.312 -14.967 -3.484 1.00 0.00 O ATOM 722 CB ARG A 45 -7.661 -13.081 -5.409 1.00 0.00 C ATOM 723 CG ARG A 45 -7.336 -11.612 -5.623 1.00 0.00 C ATOM 724 CD ARG A 45 -8.563 -10.827 -6.059 1.00 0.00 C ATOM 725 NE ARG A 45 -8.209 -9.656 -6.857 1.00 0.00 N ATOM 726 CZ ARG A 45 -9.084 -8.729 -7.230 1.00 0.00 C ATOM 727 NH1 ARG A 45 -10.358 -8.834 -6.877 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.685 -7.692 -7.956 1.00 0.00 N ATOM 0 H ARG A 45 -4.658 -13.850 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.062 -13.191 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.848 -13.548 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.583 -13.160 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.940 -11.188 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.555 -11.517 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.221 -11.475 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.122 -10.510 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.237 -9.544 -7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.668 -9.628 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.027 -8.120 -7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.706 -7.606 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.358 -6.981 -8.242 1.00 0.00 H new ATOM 742 N GLN A 46 -6.377 -16.085 -3.749 1.00 0.00 N ATOM 743 CA GLN A 46 -6.836 -17.268 -3.031 1.00 0.00 C ATOM 744 C GLN A 46 -6.681 -17.086 -1.525 1.00 0.00 C ATOM 745 O GLN A 46 -7.573 -17.435 -0.752 1.00 0.00 O ATOM 746 CB GLN A 46 -6.059 -18.503 -3.490 1.00 0.00 C ATOM 747 CG GLN A 46 -6.435 -18.975 -4.885 1.00 0.00 C ATOM 748 CD GLN A 46 -7.852 -19.509 -4.958 1.00 0.00 C ATOM 749 OE1 GLN A 46 -8.292 -20.255 -4.082 1.00 0.00 O ATOM 750 NE2 GLN A 46 -8.575 -19.130 -6.005 1.00 0.00 N ATOM 0 H GLN A 46 -5.422 -16.149 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.894 -17.409 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.992 -18.280 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.231 -19.314 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.326 -18.148 -5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.741 -19.754 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.170 -18.511 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.535 -19.458 -6.107 1.00 0.00 H new ATOM 759 N SER A 47 -5.542 -16.537 -1.115 1.00 0.00 N ATOM 760 CA SER A 47 -5.268 -16.312 0.300 1.00 0.00 C ATOM 761 C SER A 47 -5.172 -14.820 0.604 1.00 0.00 C ATOM 762 O SER A 47 -4.167 -14.177 0.300 1.00 0.00 O ATOM 763 CB SER A 47 -3.969 -17.012 0.707 1.00 0.00 C ATOM 764 OG SER A 47 -4.214 -18.351 1.102 1.00 0.00 O ATOM 0 H SER A 47 -4.794 -16.240 -1.742 1.00 0.00 H new ATOM 0 HA SER A 47 -6.094 -16.730 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.268 -16.998 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.500 -16.468 1.527 1.00 0.00 H new ATOM 0 HG SER A 47 -3.369 -18.777 1.356 1.00 0.00 H new ATOM 770 N ILE A 48 -6.224 -14.277 1.206 1.00 0.00 N ATOM 771 CA ILE A 48 -6.259 -12.861 1.552 1.00 0.00 C ATOM 772 C ILE A 48 -5.208 -12.527 2.606 1.00 0.00 C ATOM 773 O ILE A 48 -5.255 -13.035 3.725 1.00 0.00 O ATOM 774 CB ILE A 48 -7.646 -12.444 2.076 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.730 -12.809 1.061 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.672 -10.952 2.374 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.082 -13.069 1.687 1.00 0.00 C ATOM 0 H ILE A 48 -7.064 -14.795 1.464 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.043 -12.307 0.638 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.846 -12.984 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.824 -12.001 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.417 -13.696 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.658 -10.672 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.922 -10.719 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.454 -10.395 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.801 -13.322 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.004 -13.897 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.417 -12.175 2.214 1.00 0.00 H new ATOM 789 N GLU A 49 -4.262 -11.669 2.239 1.00 0.00 N ATOM 790 CA GLU A 49 -3.200 -11.266 3.153 1.00 0.00 C ATOM 791 C GLU A 49 -3.776 -10.567 4.381 1.00 0.00 C ATOM 792 O GLU A 49 -3.620 -11.038 5.508 1.00 0.00 O ATOM 793 CB GLU A 49 -2.209 -10.341 2.444 1.00 0.00 C ATOM 794 CG GLU A 49 -1.081 -11.080 1.744 1.00 0.00 C ATOM 795 CD GLU A 49 0.022 -11.498 2.698 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.294 -11.846 3.855 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.201 -11.478 2.286 1.00 0.00 O ATOM 0 H GLU A 49 -4.209 -11.240 1.315 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.676 -12.165 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.747 -9.739 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.783 -9.651 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.483 -11.964 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.661 -10.442 0.966 1.00 0.00 H new ATOM 804 N ASP A 50 -4.441 -9.439 4.155 1.00 0.00 N ATOM 805 CA ASP A 50 -5.041 -8.674 5.242 1.00 0.00 C ATOM 806 C ASP A 50 -5.911 -7.545 4.696 1.00 0.00 C ATOM 807 O ASP A 50 -5.844 -7.211 3.513 1.00 0.00 O ATOM 808 CB ASP A 50 -3.954 -8.102 6.152 1.00 0.00 C ATOM 809 CG ASP A 50 -4.443 -7.879 7.570 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.462 -8.853 8.351 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.806 -6.731 7.898 1.00 0.00 O ATOM 0 H ASP A 50 -4.578 -9.034 3.229 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.672 -9.347 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.102 -8.782 6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.600 -7.157 5.740 1.00 0.00 H new ATOM 816 N LYS A 51 -6.728 -6.962 5.566 1.00 0.00 N ATOM 817 CA LYS A 51 -7.612 -5.871 5.173 1.00 0.00 C ATOM 818 C LYS A 51 -7.490 -4.697 6.140 1.00 0.00 C ATOM 819 O LYS A 51 -7.357 -4.886 7.349 1.00 0.00 O ATOM 820 CB LYS A 51 -9.063 -6.355 5.123 1.00 0.00 C ATOM 821 CG LYS A 51 -10.080 -5.227 5.109 1.00 0.00 C ATOM 822 CD LYS A 51 -11.437 -5.706 4.622 1.00 0.00 C ATOM 823 CE LYS A 51 -12.062 -6.694 5.596 1.00 0.00 C ATOM 824 NZ LYS A 51 -12.846 -6.005 6.658 1.00 0.00 N ATOM 0 H LYS A 51 -6.797 -7.227 6.549 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.313 -5.535 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.202 -6.969 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.254 -6.994 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.178 -4.812 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.724 -4.423 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.101 -4.851 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.329 -6.176 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.712 -7.379 5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.278 -7.296 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.256 -6.712 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.221 -5.370 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.610 -5.451 6.221 1.00 0.00 H new ATOM 838 N VAL A 52 -7.537 -3.484 5.599 1.00 0.00 N ATOM 839 CA VAL A 52 -7.434 -2.279 6.413 1.00 0.00 C ATOM 840 C VAL A 52 -8.082 -1.088 5.717 1.00 0.00 C ATOM 841 O VAL A 52 -8.082 -0.997 4.489 1.00 0.00 O ATOM 842 CB VAL A 52 -5.965 -1.938 6.729 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.841 -0.499 7.204 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.406 -2.901 7.765 1.00 0.00 C ATOM 0 H VAL A 52 -7.646 -3.310 4.600 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.961 -2.482 7.345 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.381 -2.045 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.796 -0.277 7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.200 0.174 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.438 -0.361 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.368 -2.646 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.991 -2.829 8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.458 -3.920 7.380 1.00 0.00 H new ATOM 854 N HIS A 53 -8.635 -0.174 6.510 1.00 0.00 N ATOM 855 CA HIS A 53 -9.286 1.013 5.970 1.00 0.00 C ATOM 856 C HIS A 53 -8.312 2.186 5.906 1.00 0.00 C ATOM 857 O HIS A 53 -7.226 2.134 6.482 1.00 0.00 O ATOM 858 CB HIS A 53 -10.499 1.388 6.822 1.00 0.00 C ATOM 859 CG HIS A 53 -11.630 1.970 6.032 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.853 2.284 6.587 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.719 2.296 4.721 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.645 2.776 5.651 1.00 0.00 C ATOM 863 NE2 HIS A 53 -12.981 2.795 4.510 1.00 0.00 N ATOM 0 H HIS A 53 -8.645 -0.234 7.528 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.619 0.785 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.852 0.500 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.191 2.106 7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.942 2.184 3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.663 3.107 5.795 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.346 3.126 3.617 1.00 0.00 H new ATOM 872 N MET A 54 -8.709 3.241 5.203 1.00 0.00 N ATOM 873 CA MET A 54 -7.870 4.426 5.065 1.00 0.00 C ATOM 874 C MET A 54 -8.362 5.549 5.973 1.00 0.00 C ATOM 875 O MET A 54 -7.725 5.901 6.965 1.00 0.00 O ATOM 876 CB MET A 54 -7.856 4.901 3.610 1.00 0.00 C ATOM 877 CG MET A 54 -6.667 4.385 2.815 1.00 0.00 C ATOM 878 SD MET A 54 -5.093 5.003 3.440 1.00 0.00 S ATOM 879 CE MET A 54 -5.244 6.749 3.071 1.00 0.00 C ATOM 0 H MET A 54 -9.606 3.300 4.720 1.00 0.00 H new ATOM 0 HA MET A 54 -6.856 4.159 5.363 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.776 4.579 3.122 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.850 5.991 3.592 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.662 3.295 2.843 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.779 4.677 1.771 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.271 7.145 2.781 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.951 6.888 2.253 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.603 7.278 3.954 1.00 0.00 H new ATOM 889 N PRO A 55 -9.523 6.125 5.627 1.00 0.00 N ATOM 890 CA PRO A 55 -10.126 7.216 6.399 1.00 0.00 C ATOM 891 C PRO A 55 -10.648 6.749 7.753 1.00 0.00 C ATOM 892 O PRO A 55 -11.242 7.524 8.503 1.00 0.00 O ATOM 893 CB PRO A 55 -11.283 7.681 5.511 1.00 0.00 C ATOM 894 CG PRO A 55 -11.629 6.491 4.685 1.00 0.00 C ATOM 895 CD PRO A 55 -10.337 5.756 4.457 1.00 0.00 C ATOM 0 HA PRO A 55 -9.405 8.000 6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.134 8.009 6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.988 8.524 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.353 5.858 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.080 6.790 3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.492 4.679 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.861 6.060 3.525 1.00 0.00 H new ATOM 903 N VAL A 56 -10.424 5.475 8.062 1.00 0.00 N ATOM 904 CA VAL A 56 -10.871 4.905 9.327 1.00 0.00 C ATOM 905 C VAL A 56 -9.694 4.362 10.131 1.00 0.00 C ATOM 906 O VAL A 56 -9.511 4.714 11.296 1.00 0.00 O ATOM 907 CB VAL A 56 -11.890 3.772 9.103 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.856 2.786 10.260 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.288 4.344 8.920 1.00 0.00 C ATOM 0 H VAL A 56 -9.936 4.819 7.453 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.350 5.710 9.885 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.618 3.236 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.583 1.993 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.859 2.353 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.102 3.304 11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.996 3.531 8.763 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.571 4.905 9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.299 5.007 8.055 1.00 0.00 H new ATOM 919 N ASP A 57 -8.899 3.505 9.501 1.00 0.00 N ATOM 920 CA ASP A 57 -7.739 2.914 10.157 1.00 0.00 C ATOM 921 C ASP A 57 -6.528 3.836 10.053 1.00 0.00 C ATOM 922 O ASP A 57 -5.828 4.071 11.038 1.00 0.00 O ATOM 923 CB ASP A 57 -7.413 1.554 9.538 1.00 0.00 C ATOM 924 CG ASP A 57 -8.095 0.410 10.263 1.00 0.00 C ATOM 925 OD1 ASP A 57 -8.255 0.502 11.498 1.00 0.00 O ATOM 926 OD2 ASP A 57 -8.468 -0.578 9.596 1.00 0.00 O ATOM 0 H ASP A 57 -9.037 3.204 8.536 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.980 2.776 11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.719 1.551 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.334 1.399 9.555 1.00 0.00 H new ATOM 931 N CYS A 58 -6.288 4.355 8.854 1.00 0.00 N ATOM 932 CA CYS A 58 -5.160 5.251 8.621 1.00 0.00 C ATOM 933 C CYS A 58 -5.509 6.680 9.022 1.00 0.00 C ATOM 934 O CYS A 58 -6.662 7.101 8.916 1.00 0.00 O ATOM 935 CB CYS A 58 -4.744 5.208 7.150 1.00 0.00 C ATOM 936 SG CYS A 58 -3.755 6.626 6.621 1.00 0.00 S ATOM 0 H CYS A 58 -6.859 4.171 8.029 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.326 4.914 9.237 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.176 4.295 6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.640 5.152 6.532 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.589 6.580 7.194 1.00 0.00 H new ATOM 942 N ILE A 59 -4.507 7.421 9.483 1.00 0.00 N ATOM 943 CA ILE A 59 -4.709 8.803 9.900 1.00 0.00 C ATOM 944 C ILE A 59 -3.834 9.755 9.092 1.00 0.00 C ATOM 945 O ILE A 59 -4.187 10.915 8.886 1.00 0.00 O ATOM 946 CB ILE A 59 -4.403 8.989 11.398 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.177 8.165 11.797 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.609 8.596 12.238 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.404 8.754 12.956 1.00 0.00 C ATOM 0 H ILE A 59 -3.548 7.088 9.577 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.758 9.037 9.720 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.185 10.041 11.581 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.497 7.157 12.059 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.514 8.075 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.377 8.733 13.294 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.459 9.222 11.969 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.856 7.550 12.053 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.549 8.118 13.184 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.054 9.751 12.690 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.052 8.818 13.830 1.00 0.00 H new ATOM 961 N ASN A 60 -2.690 9.255 8.635 1.00 0.00 N ATOM 962 CA ASN A 60 -1.764 10.060 7.848 1.00 0.00 C ATOM 963 C ASN A 60 -1.013 9.196 6.840 1.00 0.00 C ATOM 964 O ASN A 60 -0.951 7.974 6.979 1.00 0.00 O ATOM 965 CB ASN A 60 -0.769 10.774 8.765 1.00 0.00 C ATOM 966 CG ASN A 60 -0.245 12.061 8.159 1.00 0.00 C ATOM 967 OD1 ASN A 60 0.945 12.184 7.867 1.00 0.00 O ATOM 968 ND2 ASN A 60 -1.133 13.030 7.967 1.00 0.00 N ATOM 0 H ASN A 60 -2.383 8.296 8.797 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.343 10.804 7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.251 10.994 9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.068 10.108 8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.838 13.919 7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.110 12.885 8.224 1.00 0.00 H new ATOM 975 N ILE A 61 -0.444 9.838 5.826 1.00 0.00 N ATOM 976 CA ILE A 61 0.304 9.129 4.795 1.00 0.00 C ATOM 977 C ILE A 61 1.734 9.649 4.698 1.00 0.00 C ATOM 978 O ILE A 61 1.959 10.831 4.439 1.00 0.00 O ATOM 979 CB ILE A 61 -0.372 9.259 3.418 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.849 8.869 3.512 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.344 8.394 2.392 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.698 9.444 2.400 1.00 0.00 C ATOM 0 H ILE A 61 -0.487 10.849 5.696 1.00 0.00 H new ATOM 0 HA ILE A 61 0.321 8.078 5.084 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.309 10.298 3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.931 7.782 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.245 9.204 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.146 8.497 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.383 8.713 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.309 7.351 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.732 9.126 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.646 10.532 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.328 9.088 1.438 1.00 0.00 H new ATOM 994 N ARG A 62 2.698 8.757 4.904 1.00 0.00 N ATOM 995 CA ARG A 62 4.107 9.126 4.839 1.00 0.00 C ATOM 996 C ARG A 62 4.786 8.469 3.641 1.00 0.00 C ATOM 997 O ARG A 62 4.769 7.245 3.497 1.00 0.00 O ATOM 998 CB ARG A 62 4.822 8.722 6.130 1.00 0.00 C ATOM 999 CG ARG A 62 4.332 9.471 7.358 1.00 0.00 C ATOM 1000 CD ARG A 62 4.799 8.802 8.641 1.00 0.00 C ATOM 1001 NE ARG A 62 4.218 9.427 9.827 1.00 0.00 N ATOM 1002 CZ ARG A 62 4.548 10.641 10.254 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.449 11.357 9.595 1.00 0.00 N ATOM 1004 NH2 ARG A 62 3.975 11.142 11.341 1.00 0.00 N ATOM 0 H ARG A 62 2.529 7.774 5.117 1.00 0.00 H new ATOM 0 HA ARG A 62 4.169 10.208 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.688 7.652 6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.892 8.895 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.696 10.498 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.243 9.518 7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.529 7.746 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.886 8.852 8.701 1.00 0.00 H new ATOM 0 HE ARG A 62 3.521 8.903 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.890 10.976 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.701 12.289 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.280 10.595 11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.229 12.074 11.668 1.00 0.00 H new ATOM 1018 N THR A 63 5.384 9.289 2.782 1.00 0.00 N ATOM 1019 CA THR A 63 6.067 8.788 1.596 1.00 0.00 C ATOM 1020 C THR A 63 7.492 9.324 1.515 1.00 0.00 C ATOM 1021 O THR A 63 7.739 10.499 1.783 1.00 0.00 O ATOM 1022 CB THR A 63 5.312 9.171 0.310 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.202 10.595 0.211 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.925 8.547 0.290 1.00 0.00 C ATOM 0 H THR A 63 5.409 10.303 2.886 1.00 0.00 H new ATOM 0 HA THR A 63 6.095 7.702 1.682 1.00 0.00 H new ATOM 0 HB THR A 63 5.876 8.791 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.722 10.830 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.411 8.832 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.014 7.462 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.355 8.900 1.149 1.00 0.00 H new ATOM 1032 N GLY A 64 8.426 8.455 1.141 1.00 0.00 N ATOM 1033 CA GLY A 64 9.815 8.861 1.030 1.00 0.00 C ATOM 1034 C GLY A 64 10.460 9.094 2.382 1.00 0.00 C ATOM 1035 O GLY A 64 10.489 8.199 3.227 1.00 0.00 O ATOM 0 H GLY A 64 8.246 7.477 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.373 8.094 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.877 9.775 0.439 1.00 0.00 H new ATOM 1039 N HIS A 65 10.981 10.300 2.587 1.00 0.00 N ATOM 1040 CA HIS A 65 11.631 10.648 3.846 1.00 0.00 C ATOM 1041 C HIS A 65 10.630 10.629 4.997 1.00 0.00 C ATOM 1042 O HIS A 65 10.962 10.228 6.112 1.00 0.00 O ATOM 1043 CB HIS A 65 12.281 12.028 3.743 1.00 0.00 C ATOM 1044 CG HIS A 65 13.038 12.241 2.469 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.956 11.336 1.979 1.00 0.00 N ATOM 1046 CD2 HIS A 65 13.007 13.262 1.581 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.459 11.793 0.846 1.00 0.00 C ATOM 1048 NE2 HIS A 65 13.900 12.959 0.581 1.00 0.00 N ATOM 0 H HIS A 65 10.966 11.052 1.898 1.00 0.00 H new ATOM 0 HA HIS A 65 12.403 9.905 4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.508 12.792 3.828 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.959 12.165 4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.395 14.149 1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.202 11.297 0.239 1.00 0.00 H new ATOM 0 HE2 HIS A 65 14.098 13.540 -0.233 1.00 0.00 H new ATOM 1057 N GLU A 66 9.405 11.064 4.718 1.00 0.00 N ATOM 1058 CA GLU A 66 8.358 11.097 5.732 1.00 0.00 C ATOM 1059 C GLU A 66 8.210 9.737 6.407 1.00 0.00 C ATOM 1060 O GLU A 66 7.733 9.641 7.538 1.00 0.00 O ATOM 1061 CB GLU A 66 7.025 11.516 5.107 1.00 0.00 C ATOM 1062 CG GLU A 66 7.137 12.716 4.181 1.00 0.00 C ATOM 1063 CD GLU A 66 5.785 13.241 3.741 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.127 12.568 2.920 1.00 0.00 O ATOM 1065 OE2 GLU A 66 5.385 14.324 4.216 1.00 0.00 O ATOM 0 H GLU A 66 9.114 11.398 3.799 1.00 0.00 H new ATOM 0 HA GLU A 66 8.643 11.829 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.614 10.674 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.317 11.747 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.684 13.511 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.719 12.439 3.302 1.00 0.00 H new ATOM 1072 N CYS A 67 8.622 8.687 5.704 1.00 0.00 N ATOM 1073 CA CYS A 67 8.535 7.331 6.234 1.00 0.00 C ATOM 1074 C CYS A 67 9.126 7.256 7.638 1.00 0.00 C ATOM 1075 O CYS A 67 9.600 8.257 8.177 1.00 0.00 O ATOM 1076 CB CYS A 67 9.261 6.352 5.309 1.00 0.00 C ATOM 1077 SG CYS A 67 8.384 6.006 3.766 1.00 0.00 S ATOM 0 H CYS A 67 9.019 8.749 4.767 1.00 0.00 H new ATOM 0 HA CYS A 67 7.482 7.056 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 67 10.246 6.755 5.072 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.420 5.415 5.842 1.00 0.00 H new ATOM 0 HG CYS A 67 9.164 5.345 2.963 1.00 0.00 H new ATOM 1083 N ARG A 68 9.094 6.065 8.226 1.00 0.00 N ATOM 1084 CA ARG A 68 9.624 5.860 9.568 1.00 0.00 C ATOM 1085 C ARG A 68 11.113 5.532 9.521 1.00 0.00 C ATOM 1086 O ARG A 68 11.526 4.425 9.866 1.00 0.00 O ATOM 1087 CB ARG A 68 8.865 4.735 10.273 1.00 0.00 C ATOM 1088 CG ARG A 68 7.483 5.142 10.758 1.00 0.00 C ATOM 1089 CD ARG A 68 6.980 4.214 11.852 1.00 0.00 C ATOM 1090 NE ARG A 68 7.775 4.326 13.073 1.00 0.00 N ATOM 1091 CZ ARG A 68 7.379 3.861 14.253 1.00 0.00 C ATOM 1092 NH1 ARG A 68 6.205 3.255 14.370 1.00 0.00 N ATOM 1093 NH2 ARG A 68 8.158 4.001 15.318 1.00 0.00 N ATOM 0 H ARG A 68 8.706 5.227 7.793 1.00 0.00 H new ATOM 0 HA ARG A 68 9.491 6.785 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.767 3.891 9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.452 4.390 11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.515 6.165 11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.785 5.131 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.939 4.447 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.007 3.184 11.495 1.00 0.00 H new ATOM 0 HE ARG A 68 8.683 4.786 13.016 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.604 3.145 13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.903 2.899 15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.062 4.466 15.231 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.853 3.644 16.223 1.00 0.00 H new ATOM 1107 N ASP A 69 11.914 6.501 9.091 1.00 0.00 N ATOM 1108 CA ASP A 69 13.357 6.316 8.998 1.00 0.00 C ATOM 1109 C ASP A 69 13.693 4.963 8.377 1.00 0.00 C ATOM 1110 O ASP A 69 14.733 4.375 8.672 1.00 0.00 O ATOM 1111 CB ASP A 69 13.997 6.428 10.383 1.00 0.00 C ATOM 1112 CG ASP A 69 15.509 6.514 10.317 1.00 0.00 C ATOM 1113 OD1 ASP A 69 16.028 7.105 9.346 1.00 0.00 O ATOM 1114 OD2 ASP A 69 16.173 5.992 11.236 1.00 0.00 O ATOM 0 H ASP A 69 11.588 7.423 8.801 1.00 0.00 H new ATOM 0 HA ASP A 69 13.758 7.100 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.608 7.311 10.890 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.711 5.564 10.983 1.00 0.00 H new ATOM 1119 N ILE A 70 12.805 4.477 7.517 1.00 0.00 N ATOM 1120 CA ILE A 70 13.007 3.194 6.855 1.00 0.00 C ATOM 1121 C ILE A 70 13.896 3.345 5.625 1.00 0.00 C ATOM 1122 O ILE A 70 14.420 4.425 5.355 1.00 0.00 O ATOM 1123 CB ILE A 70 11.668 2.561 6.432 1.00 0.00 C ATOM 1124 CG1 ILE A 70 11.207 3.138 5.092 1.00 0.00 C ATOM 1125 CG2 ILE A 70 10.613 2.789 7.504 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.793 2.749 4.722 1.00 0.00 C ATOM 0 H ILE A 70 11.939 4.952 7.262 1.00 0.00 H new ATOM 0 HA ILE A 70 13.496 2.540 7.577 1.00 0.00 H new ATOM 0 HB ILE A 70 11.812 1.487 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.278 4.225 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.885 2.801 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.672 2.336 7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.941 2.335 8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.469 3.859 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.533 3.193 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.721 1.664 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.105 3.110 5.486 1.00 0.00 H new ATOM 1138 N GLN A 71 14.059 2.255 4.882 1.00 0.00 N ATOM 1139 CA GLN A 71 14.884 2.266 3.679 1.00 0.00 C ATOM 1140 C GLN A 71 14.236 1.449 2.567 1.00 0.00 C ATOM 1141 O GLN A 71 13.673 0.378 2.797 1.00 0.00 O ATOM 1142 CB GLN A 71 16.278 1.718 3.986 1.00 0.00 C ATOM 1143 CG GLN A 71 16.270 0.283 4.490 1.00 0.00 C ATOM 1144 CD GLN A 71 17.424 -0.013 5.427 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.621 0.679 6.427 1.00 0.00 O ATOM 1146 NE2 GLN A 71 18.196 -1.045 5.108 1.00 0.00 N ATOM 0 H GLN A 71 13.631 1.353 5.092 1.00 0.00 H new ATOM 0 HA GLN A 71 14.974 3.298 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.888 1.774 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.753 2.354 4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.329 0.088 5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.314 -0.397 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.996 -1.591 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.989 -1.291 5.701 1.00 0.00 H new ATOM 1155 N PRO A 72 14.315 1.963 1.331 1.00 0.00 N ATOM 1156 CA PRO A 72 13.742 1.296 0.158 1.00 0.00 C ATOM 1157 C PRO A 72 14.500 0.026 -0.215 1.00 0.00 C ATOM 1158 O PRO A 72 15.626 -0.206 0.227 1.00 0.00 O ATOM 1159 CB PRO A 72 13.879 2.345 -0.949 1.00 0.00 C ATOM 1160 CG PRO A 72 15.021 3.201 -0.520 1.00 0.00 C ATOM 1161 CD PRO A 72 14.972 3.234 0.983 1.00 0.00 C ATOM 0 HA PRO A 72 12.716 0.973 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.075 1.879 -1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.965 2.929 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.969 2.792 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.934 4.205 -0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.970 3.302 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.407 4.092 1.348 1.00 0.00 H new ATOM 1169 N PRO A 73 13.872 -0.816 -1.049 1.00 0.00 N ATOM 1170 CA PRO A 73 14.469 -2.076 -1.501 1.00 0.00 C ATOM 1171 C PRO A 73 15.641 -1.854 -2.451 1.00 0.00 C ATOM 1172 O PRO A 73 15.881 -0.735 -2.905 1.00 0.00 O ATOM 1173 CB PRO A 73 13.317 -2.775 -2.226 1.00 0.00 C ATOM 1174 CG PRO A 73 12.422 -1.669 -2.669 1.00 0.00 C ATOM 1175 CD PRO A 73 12.529 -0.602 -1.615 1.00 0.00 C ATOM 0 HA PRO A 73 14.881 -2.652 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.678 -3.356 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.795 -3.466 -1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.727 -1.287 -3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.394 -2.016 -2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.427 0.396 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.752 -0.706 -0.857 1.00 0.00 H new ATOM 1183 N ASP A 74 16.367 -2.926 -2.748 1.00 0.00 N ATOM 1184 CA ASP A 74 17.513 -2.848 -3.646 1.00 0.00 C ATOM 1185 C ASP A 74 17.090 -2.352 -5.025 1.00 0.00 C ATOM 1186 O ASP A 74 15.964 -2.585 -5.462 1.00 0.00 O ATOM 1187 CB ASP A 74 18.187 -4.216 -3.767 1.00 0.00 C ATOM 1188 CG ASP A 74 19.584 -4.124 -4.349 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.384 -3.307 -3.846 1.00 0.00 O ATOM 1190 OD2 ASP A 74 19.877 -4.869 -5.307 1.00 0.00 O ATOM 0 H ASP A 74 16.182 -3.859 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 74 18.224 -2.137 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.237 -4.682 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.577 -4.864 -4.396 1.00 0.00 H new ATOM 1195 N GLY A 75 18.002 -1.665 -5.707 1.00 0.00 N ATOM 1196 CA GLY A 75 17.704 -1.146 -7.029 1.00 0.00 C ATOM 1197 C GLY A 75 16.396 -0.381 -7.070 1.00 0.00 C ATOM 1198 O GLY A 75 15.643 -0.475 -8.040 1.00 0.00 O ATOM 0 H GLY A 75 18.941 -1.459 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.514 -0.492 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.661 -1.972 -7.739 1.00 0.00 H new ATOM 1202 N LYS A 76 16.122 0.377 -6.014 1.00 0.00 N ATOM 1203 CA LYS A 76 14.895 1.162 -5.932 1.00 0.00 C ATOM 1204 C LYS A 76 15.130 2.459 -5.164 1.00 0.00 C ATOM 1205 O LYS A 76 15.783 2.482 -4.121 1.00 0.00 O ATOM 1206 CB LYS A 76 13.790 0.348 -5.255 1.00 0.00 C ATOM 1207 CG LYS A 76 13.102 -0.635 -6.185 1.00 0.00 C ATOM 1208 CD LYS A 76 11.905 -0.004 -6.877 1.00 0.00 C ATOM 1209 CE LYS A 76 10.985 -1.058 -7.473 1.00 0.00 C ATOM 1210 NZ LYS A 76 10.307 -1.863 -6.420 1.00 0.00 N ATOM 0 H LYS A 76 16.733 0.465 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 76 14.584 1.413 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.216 -0.198 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.045 1.031 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.812 -0.987 -6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.777 -1.507 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.349 0.603 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.250 0.666 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.235 -0.574 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.561 -1.719 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.436 -2.278 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.941 -2.623 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.070 -1.250 -5.614 1.00 0.00 H new ATOM 1224 N PRO A 77 14.583 3.565 -5.690 1.00 0.00 N ATOM 1225 CA PRO A 77 14.718 4.886 -5.069 1.00 0.00 C ATOM 1226 C PRO A 77 13.931 4.998 -3.768 1.00 0.00 C ATOM 1227 O PRO A 77 13.368 4.015 -3.285 1.00 0.00 O ATOM 1228 CB PRO A 77 14.143 5.834 -6.125 1.00 0.00 C ATOM 1229 CG PRO A 77 13.201 4.994 -6.916 1.00 0.00 C ATOM 1230 CD PRO A 77 13.792 3.612 -6.931 1.00 0.00 C ATOM 0 HA PRO A 77 15.750 5.105 -4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.629 6.677 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.930 6.248 -6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.209 4.989 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.089 5.381 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.018 2.844 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.415 3.451 -7.811 1.00 0.00 H new ATOM 1238 N ARG A 78 13.894 6.201 -3.205 1.00 0.00 N ATOM 1239 CA ARG A 78 13.176 6.440 -1.959 1.00 0.00 C ATOM 1240 C ARG A 78 11.874 7.192 -2.218 1.00 0.00 C ATOM 1241 O ARG A 78 10.947 7.145 -1.408 1.00 0.00 O ATOM 1242 CB ARG A 78 14.050 7.234 -0.986 1.00 0.00 C ATOM 1243 CG ARG A 78 13.739 6.959 0.476 1.00 0.00 C ATOM 1244 CD ARG A 78 14.560 7.847 1.397 1.00 0.00 C ATOM 1245 NE ARG A 78 15.840 7.237 1.748 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.690 7.764 2.622 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.398 8.905 3.231 1.00 0.00 N ATOM 1248 NH2 ARG A 78 17.835 7.149 2.889 1.00 0.00 N ATOM 0 H ARG A 78 14.353 7.026 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 78 12.936 5.473 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.097 6.998 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.922 8.299 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.678 7.124 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.942 5.912 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.737 8.807 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.993 8.049 2.306 1.00 0.00 H new ATOM 0 HE ARG A 78 16.095 6.358 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.519 9.381 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.053 9.307 3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.063 6.271 2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.487 7.554 3.560 1.00 0.00 H new ATOM 1262 N ASP A 79 11.811 7.884 -3.350 1.00 0.00 N ATOM 1263 CA ASP A 79 10.622 8.645 -3.716 1.00 0.00 C ATOM 1264 C ASP A 79 9.495 7.715 -4.154 1.00 0.00 C ATOM 1265 O ASP A 79 8.364 8.152 -4.368 1.00 0.00 O ATOM 1266 CB ASP A 79 10.948 9.634 -4.836 1.00 0.00 C ATOM 1267 CG ASP A 79 11.791 10.798 -4.353 1.00 0.00 C ATOM 1268 OD1 ASP A 79 11.237 11.695 -3.683 1.00 0.00 O ATOM 1269 OD2 ASP A 79 13.005 10.812 -4.643 1.00 0.00 O ATOM 0 H ASP A 79 12.569 7.934 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 79 10.291 9.199 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.476 9.113 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.020 10.014 -5.263 1.00 0.00 H new ATOM 1274 N CYS A 80 9.812 6.432 -4.286 1.00 0.00 N ATOM 1275 CA CYS A 80 8.826 5.440 -4.701 1.00 0.00 C ATOM 1276 C CYS A 80 8.310 4.651 -3.502 1.00 0.00 C ATOM 1277 O CYS A 80 7.636 3.633 -3.658 1.00 0.00 O ATOM 1278 CB CYS A 80 9.434 4.486 -5.731 1.00 0.00 C ATOM 1279 SG CYS A 80 10.345 3.102 -5.008 1.00 0.00 S ATOM 0 H CYS A 80 10.743 6.054 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 80 7.986 5.967 -5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.636 4.092 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.105 5.049 -6.380 1.00 0.00 H new ATOM 0 HG CYS A 80 9.506 2.198 -4.597 1.00 0.00 H new ATOM 1285 N LEU A 81 8.634 5.127 -2.304 1.00 0.00 N ATOM 1286 CA LEU A 81 8.205 4.465 -1.077 1.00 0.00 C ATOM 1287 C LEU A 81 6.874 5.030 -0.590 1.00 0.00 C ATOM 1288 O LEU A 81 6.626 6.233 -0.686 1.00 0.00 O ATOM 1289 CB LEU A 81 9.268 4.626 0.011 1.00 0.00 C ATOM 1290 CG LEU A 81 10.633 4.005 -0.289 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.646 4.403 0.774 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.522 2.490 -0.381 1.00 0.00 C ATOM 0 H LEU A 81 9.192 5.968 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 81 8.072 3.405 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.409 5.690 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.886 4.187 0.933 1.00 0.00 H new ATOM 0 HG LEU A 81 10.979 4.383 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.611 3.952 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.748 5.488 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.306 4.055 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.503 2.066 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.154 2.094 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.829 2.224 -1.180 1.00 0.00 H new ATOM 1304 N LEU A 82 6.023 4.156 -0.065 1.00 0.00 N ATOM 1305 CA LEU A 82 4.717 4.568 0.439 1.00 0.00 C ATOM 1306 C LEU A 82 4.449 3.962 1.813 1.00 0.00 C ATOM 1307 O LEU A 82 4.494 2.744 1.984 1.00 0.00 O ATOM 1308 CB LEU A 82 3.616 4.153 -0.538 1.00 0.00 C ATOM 1309 CG LEU A 82 2.288 4.898 -0.409 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.290 6.148 -1.276 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.127 3.989 -0.784 1.00 0.00 C ATOM 0 H LEU A 82 6.213 3.158 0.023 1.00 0.00 H new ATOM 0 HA LEU A 82 4.718 5.654 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.989 4.289 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.426 3.088 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 82 2.164 5.202 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.336 6.665 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.098 6.808 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.438 5.867 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.190 4.537 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.245 3.654 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.113 3.124 -0.121 1.00 0.00 H new ATOM 1323 N GLN A 83 4.168 4.821 2.788 1.00 0.00 N ATOM 1324 CA GLN A 83 3.891 4.369 4.147 1.00 0.00 C ATOM 1325 C GLN A 83 2.537 4.883 4.625 1.00 0.00 C ATOM 1326 O GLN A 83 2.079 5.944 4.200 1.00 0.00 O ATOM 1327 CB GLN A 83 4.993 4.839 5.098 1.00 0.00 C ATOM 1328 CG GLN A 83 5.223 3.901 6.272 1.00 0.00 C ATOM 1329 CD GLN A 83 6.427 4.294 7.105 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.524 5.424 7.583 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.354 3.359 7.283 1.00 0.00 N ATOM 0 H GLN A 83 4.126 5.832 2.663 1.00 0.00 H new ATOM 0 HA GLN A 83 3.865 3.279 4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.923 4.944 4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.736 5.828 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.335 3.892 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.359 2.886 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.233 2.435 6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.187 3.565 7.834 1.00 0.00 H new ATOM 1340 N ILE A 84 1.901 4.124 5.511 1.00 0.00 N ATOM 1341 CA ILE A 84 0.600 4.504 6.048 1.00 0.00 C ATOM 1342 C ILE A 84 0.606 4.479 7.573 1.00 0.00 C ATOM 1343 O ILE A 84 0.987 3.483 8.187 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.514 3.572 5.535 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.355 3.330 4.033 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.882 4.165 5.840 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.645 4.552 3.190 1.00 0.00 C ATOM 0 H ILE A 84 2.265 3.242 5.872 1.00 0.00 H new ATOM 0 HA ILE A 84 0.401 5.519 5.705 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.432 2.614 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.662 2.994 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.023 2.523 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.659 3.495 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.992 4.291 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.976 5.134 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.512 4.307 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.671 4.877 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.040 5.354 3.465 1.00 0.00 H new ATOM 1359 N VAL A 85 0.179 5.583 8.179 1.00 0.00 N ATOM 1360 CA VAL A 85 0.132 5.688 9.632 1.00 0.00 C ATOM 1361 C VAL A 85 -1.255 5.342 10.163 1.00 0.00 C ATOM 1362 O VAL A 85 -2.265 5.833 9.658 1.00 0.00 O ATOM 1363 CB VAL A 85 0.512 7.103 10.105 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.532 7.171 11.625 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.858 7.514 9.528 1.00 0.00 C ATOM 0 H VAL A 85 -0.139 6.417 7.686 1.00 0.00 H new ATOM 0 HA VAL A 85 0.857 4.975 10.025 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.242 7.802 9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.803 8.179 11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.456 6.922 12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.263 6.461 12.011 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.111 8.517 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.625 6.813 9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.805 7.507 8.439 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.296 4.494 11.185 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.559 4.082 11.786 1.00 0.00 C ATOM 1377 C CYS A 86 -2.875 4.922 13.019 1.00 0.00 C ATOM 1378 O CYS A 86 -2.154 5.866 13.340 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.509 2.600 12.163 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.111 1.501 10.784 1.00 0.00 S ATOM 0 H CYS A 86 -0.469 4.079 11.614 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.349 4.237 11.052 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.768 2.461 12.950 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.474 2.309 12.579 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.820 1.424 10.649 1.00 0.00 H new ATOM 1386 N ARG A 87 -3.959 4.573 13.705 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.372 5.297 14.901 1.00 0.00 C ATOM 1388 C ARG A 87 -3.751 4.681 16.151 1.00 0.00 C ATOM 1389 O ARG A 87 -3.695 5.314 17.205 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.897 5.295 15.023 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.604 5.918 13.830 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.060 5.488 13.758 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.823 5.941 14.918 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.335 7.162 15.029 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -9.166 8.046 14.056 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.017 7.500 16.116 1.00 0.00 N ATOM 0 H ARG A 87 -4.567 3.794 13.453 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.022 6.326 14.811 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.242 4.268 15.144 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.182 5.835 15.926 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.547 7.004 13.899 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.093 5.630 12.912 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.511 5.887 12.849 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.114 4.401 13.690 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.971 5.284 15.684 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.642 7.790 13.219 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.560 8.983 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.148 6.822 16.867 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.410 8.438 16.201 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.286 3.443 16.026 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.668 2.741 17.145 1.00 0.00 C ATOM 1412 C ASP A 88 -1.154 2.673 16.974 1.00 0.00 C ATOM 1413 O ASP A 88 -0.499 1.774 17.502 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.244 1.330 17.270 1.00 0.00 C ATOM 1415 CG ASP A 88 -3.032 0.739 18.650 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -1.952 0.158 18.888 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -3.947 0.857 19.492 1.00 0.00 O ATOM 0 H ASP A 88 -3.325 2.905 15.161 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.888 3.296 18.057 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.311 1.355 17.049 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.779 0.684 16.526 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.603 3.628 16.232 1.00 0.00 N ATOM 1423 CA GLY A 89 0.830 3.657 16.003 1.00 0.00 C ATOM 1424 C GLY A 89 1.258 2.729 14.884 1.00 0.00 C ATOM 1425 O GLY A 89 2.293 2.940 14.252 1.00 0.00 O ATOM 0 H GLY A 89 -1.123 4.383 15.785 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.136 4.675 15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.347 3.377 16.921 1.00 0.00 H new ATOM 1429 N LYS A 90 0.460 1.695 14.638 1.00 0.00 N ATOM 1430 CA LYS A 90 0.761 0.729 13.588 1.00 0.00 C ATOM 1431 C LYS A 90 1.108 1.436 12.282 1.00 0.00 C ATOM 1432 O LYS A 90 0.412 2.359 11.859 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.430 -0.208 13.372 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.224 -1.204 12.245 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.141 -2.407 12.388 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.278 -3.164 11.076 1.00 0.00 C ATOM 1437 NZ LYS A 90 -0.221 -4.201 10.922 1.00 0.00 N ATOM 0 H LYS A 90 -0.400 1.505 15.152 1.00 0.00 H new ATOM 0 HA LYS A 90 1.624 0.143 13.904 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.625 -0.753 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.317 0.389 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.410 -0.716 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.814 -1.536 12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.749 -3.075 13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.124 -2.078 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.259 -3.636 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.222 -2.462 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.349 -4.695 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.715 -3.748 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.290 -4.886 11.702 1.00 0.00 H new ATOM 1451 N THR A 91 2.189 0.995 11.645 1.00 0.00 N ATOM 1452 CA THR A 91 2.628 1.585 10.387 1.00 0.00 C ATOM 1453 C THR A 91 2.932 0.509 9.351 1.00 0.00 C ATOM 1454 O THR A 91 3.572 -0.497 9.658 1.00 0.00 O ATOM 1455 CB THR A 91 3.880 2.461 10.584 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.662 3.396 11.646 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.224 3.209 9.305 1.00 0.00 C ATOM 0 H THR A 91 2.776 0.231 11.980 1.00 0.00 H new ATOM 0 HA THR A 91 1.810 2.209 10.028 1.00 0.00 H new ATOM 0 HB THR A 91 4.715 1.809 10.841 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.906 4.296 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.111 3.821 9.469 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.419 2.493 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.389 3.850 9.022 1.00 0.00 H new ATOM 1465 N ILE A 92 2.470 0.728 8.125 1.00 0.00 N ATOM 1466 CA ILE A 92 2.695 -0.224 7.043 1.00 0.00 C ATOM 1467 C ILE A 92 3.636 0.353 5.990 1.00 0.00 C ATOM 1468 O ILE A 92 3.416 1.452 5.482 1.00 0.00 O ATOM 1469 CB ILE A 92 1.373 -0.630 6.367 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.519 -1.463 7.325 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.648 -1.404 5.086 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.900 -1.673 6.844 1.00 0.00 C ATOM 0 H ILE A 92 1.938 1.555 7.855 1.00 0.00 H new ATOM 0 HA ILE A 92 3.151 -1.107 7.489 1.00 0.00 H new ATOM 0 HB ILE A 92 0.821 0.275 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.992 -2.434 7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.495 -0.972 8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.703 -1.684 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.220 -0.780 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.218 -2.303 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.446 -2.272 7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.391 -0.707 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.886 -2.192 5.886 1.00 0.00 H new ATOM 1484 N SER A 93 4.684 -0.398 5.666 1.00 0.00 N ATOM 1485 CA SER A 93 5.659 0.039 4.675 1.00 0.00 C ATOM 1486 C SER A 93 5.357 -0.571 3.310 1.00 0.00 C ATOM 1487 O SER A 93 5.221 -1.788 3.176 1.00 0.00 O ATOM 1488 CB SER A 93 7.073 -0.346 5.116 1.00 0.00 C ATOM 1489 OG SER A 93 7.201 -0.289 6.526 1.00 0.00 O ATOM 0 H SER A 93 4.879 -1.312 6.076 1.00 0.00 H new ATOM 0 HA SER A 93 5.594 1.124 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.305 -1.352 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.797 0.326 4.655 1.00 0.00 H new ATOM 0 HG SER A 93 8.113 -0.541 6.782 1.00 0.00 H new ATOM 1495 N LEU A 94 5.252 0.283 2.297 1.00 0.00 N ATOM 1496 CA LEU A 94 4.966 -0.170 0.941 1.00 0.00 C ATOM 1497 C LEU A 94 5.929 0.462 -0.059 1.00 0.00 C ATOM 1498 O LEU A 94 6.590 1.456 0.244 1.00 0.00 O ATOM 1499 CB LEU A 94 3.523 0.171 0.562 1.00 0.00 C ATOM 1500 CG LEU A 94 2.438 -0.383 1.485 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.084 0.213 1.135 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.392 -1.902 1.402 1.00 0.00 C ATOM 0 H LEU A 94 5.361 1.293 2.390 1.00 0.00 H new ATOM 0 HA LEU A 94 5.098 -1.252 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.424 1.256 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.337 -0.197 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 94 2.681 -0.102 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.324 -0.193 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.124 1.297 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.832 -0.036 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.614 -2.279 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.173 -2.204 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.356 -2.312 1.703 1.00 0.00 H new ATOM 1514 N CYS A 95 6.002 -0.120 -1.251 1.00 0.00 N ATOM 1515 CA CYS A 95 6.883 0.387 -2.297 1.00 0.00 C ATOM 1516 C CYS A 95 6.250 0.213 -3.674 1.00 0.00 C ATOM 1517 O CYS A 95 5.529 -0.753 -3.918 1.00 0.00 O ATOM 1518 CB CYS A 95 8.232 -0.331 -2.248 1.00 0.00 C ATOM 1519 SG CYS A 95 9.432 0.268 -3.462 1.00 0.00 S ATOM 0 H CYS A 95 5.462 -0.943 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 95 7.039 1.451 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.655 -0.219 -1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.070 -1.397 -2.408 1.00 0.00 H new ATOM 0 HG CYS A 95 10.384 0.909 -2.851 1.00 0.00 H new ATOM 1525 N ALA A 96 6.523 1.157 -4.569 1.00 0.00 N ATOM 1526 CA ALA A 96 5.981 1.108 -5.920 1.00 0.00 C ATOM 1527 C ALA A 96 7.074 0.808 -6.940 1.00 0.00 C ATOM 1528 O ALA A 96 8.260 0.971 -6.657 1.00 0.00 O ATOM 1529 CB ALA A 96 5.286 2.419 -6.258 1.00 0.00 C ATOM 0 H ALA A 96 7.117 1.965 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 96 5.250 0.301 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.886 2.368 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.472 2.591 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.002 3.238 -6.192 1.00 0.00 H new ATOM 1535 N GLU A 97 6.666 0.368 -8.127 1.00 0.00 N ATOM 1536 CA GLU A 97 7.613 0.045 -9.187 1.00 0.00 C ATOM 1537 C GLU A 97 8.487 1.250 -9.523 1.00 0.00 C ATOM 1538 O GLU A 97 9.670 1.106 -9.829 1.00 0.00 O ATOM 1539 CB GLU A 97 6.869 -0.424 -10.440 1.00 0.00 C ATOM 1540 CG GLU A 97 7.747 -1.181 -11.422 1.00 0.00 C ATOM 1541 CD GLU A 97 6.953 -2.110 -12.319 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.407 -1.631 -13.335 1.00 0.00 O ATOM 1543 OE2 GLU A 97 6.877 -3.317 -12.005 1.00 0.00 O ATOM 0 H GLU A 97 5.687 0.227 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 97 8.256 -0.760 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.038 -1.063 -10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.440 0.442 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.295 -0.468 -12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.487 -1.760 -10.870 1.00 0.00 H new ATOM 1550 N SER A 98 7.894 2.438 -9.464 1.00 0.00 N ATOM 1551 CA SER A 98 8.616 3.669 -9.766 1.00 0.00 C ATOM 1552 C SER A 98 7.902 4.878 -9.170 1.00 0.00 C ATOM 1553 O SER A 98 6.763 4.778 -8.712 1.00 0.00 O ATOM 1554 CB SER A 98 8.760 3.842 -11.279 1.00 0.00 C ATOM 1555 OG SER A 98 9.720 4.837 -11.589 1.00 0.00 O ATOM 0 H SER A 98 6.916 2.574 -9.210 1.00 0.00 H new ATOM 0 HA SER A 98 9.608 3.598 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.055 2.895 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.797 4.114 -11.710 1.00 0.00 H new ATOM 0 HG SER A 98 9.795 4.927 -12.562 1.00 0.00 H new ATOM 1561 N THR A 99 8.579 6.021 -9.179 1.00 0.00 N ATOM 1562 CA THR A 99 8.012 7.250 -8.639 1.00 0.00 C ATOM 1563 C THR A 99 6.588 7.465 -9.139 1.00 0.00 C ATOM 1564 O THR A 99 5.688 7.780 -8.361 1.00 0.00 O ATOM 1565 CB THR A 99 8.866 8.476 -9.015 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.225 8.268 -8.614 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.325 9.735 -8.355 1.00 0.00 C ATOM 0 H THR A 99 9.522 6.121 -9.555 1.00 0.00 H new ATOM 0 HA THR A 99 8.001 7.143 -7.554 1.00 0.00 H new ATOM 0 HB THR A 99 8.822 8.604 -10.097 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.762 9.051 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.944 10.587 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.300 9.907 -8.684 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.342 9.614 -7.272 1.00 0.00 H new ATOM 1575 N ASP A 100 6.391 7.292 -10.441 1.00 0.00 N ATOM 1576 CA ASP A 100 5.075 7.465 -11.045 1.00 0.00 C ATOM 1577 C ASP A 100 4.037 6.594 -10.344 1.00 0.00 C ATOM 1578 O ASP A 100 2.957 7.065 -9.987 1.00 0.00 O ATOM 1579 CB ASP A 100 5.125 7.123 -12.535 1.00 0.00 C ATOM 1580 CG ASP A 100 3.755 7.162 -13.184 1.00 0.00 C ATOM 1581 OD1 ASP A 100 2.911 7.969 -12.740 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.528 6.388 -14.137 1.00 0.00 O ATOM 0 H ASP A 100 7.126 7.032 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 100 4.784 8.509 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.785 7.825 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.556 6.130 -12.663 1.00 0.00 H new ATOM 1587 N ASP A 101 4.371 5.323 -10.153 1.00 0.00 N ATOM 1588 CA ASP A 101 3.468 4.386 -9.495 1.00 0.00 C ATOM 1589 C ASP A 101 3.199 4.810 -8.055 1.00 0.00 C ATOM 1590 O ASP A 101 2.071 4.716 -7.570 1.00 0.00 O ATOM 1591 CB ASP A 101 4.055 2.974 -9.523 1.00 0.00 C ATOM 1592 CG ASP A 101 3.763 2.251 -10.823 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.593 2.932 -11.856 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.704 1.004 -10.808 1.00 0.00 O ATOM 0 H ASP A 101 5.260 4.918 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 101 2.523 4.389 -10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.134 3.029 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.649 2.398 -8.691 1.00 0.00 H new ATOM 1599 N CYS A 102 4.242 5.275 -7.376 1.00 0.00 N ATOM 1600 CA CYS A 102 4.119 5.712 -5.990 1.00 0.00 C ATOM 1601 C CYS A 102 3.172 6.902 -5.877 1.00 0.00 C ATOM 1602 O CYS A 102 2.187 6.857 -5.139 1.00 0.00 O ATOM 1603 CB CYS A 102 5.492 6.082 -5.427 1.00 0.00 C ATOM 1604 SG CYS A 102 5.499 6.398 -3.646 1.00 0.00 S ATOM 0 H CYS A 102 5.182 5.359 -7.763 1.00 0.00 H new ATOM 0 HA CYS A 102 3.707 4.887 -5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.192 5.275 -5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.858 6.969 -5.944 1.00 0.00 H new ATOM 0 HG CYS A 102 6.531 7.127 -3.339 1.00 0.00 H new ATOM 1610 N LEU A 103 3.478 7.966 -6.612 1.00 0.00 N ATOM 1611 CA LEU A 103 2.654 9.170 -6.593 1.00 0.00 C ATOM 1612 C LEU A 103 1.192 8.835 -6.870 1.00 0.00 C ATOM 1613 O LEU A 103 0.293 9.329 -6.191 1.00 0.00 O ATOM 1614 CB LEU A 103 3.163 10.176 -7.627 1.00 0.00 C ATOM 1615 CG LEU A 103 4.346 11.043 -7.195 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.986 11.712 -8.401 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.899 12.085 -6.179 1.00 0.00 C ATOM 0 H LEU A 103 4.289 8.020 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 103 2.724 9.612 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.448 9.630 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.338 10.833 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 103 5.091 10.401 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.826 12.325 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.341 10.949 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.250 12.342 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.753 12.694 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.136 12.723 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.487 11.585 -5.302 1.00 0.00 H new ATOM 1629 N ALA A 104 0.963 7.990 -7.870 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.389 7.585 -8.233 1.00 0.00 C ATOM 1631 C ALA A 104 -1.162 7.095 -7.014 1.00 0.00 C ATOM 1632 O ALA A 104 -2.208 7.644 -6.668 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.346 6.504 -9.303 1.00 0.00 C ATOM 0 H ALA A 104 1.697 7.573 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.908 8.456 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.363 6.211 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.160 6.888 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.195 5.637 -8.923 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.641 6.059 -6.366 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.283 5.495 -5.184 1.00 0.00 C ATOM 1641 C TRP A 105 -1.542 6.573 -4.138 1.00 0.00 C ATOM 1642 O TRP A 105 -2.668 6.738 -3.667 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.415 4.386 -4.587 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.702 3.032 -5.164 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.145 2.262 -5.909 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.921 2.290 -5.044 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.474 1.086 -6.259 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.741 1.079 -5.740 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.145 2.530 -4.415 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.741 0.114 -5.824 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.137 1.572 -4.499 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.930 0.375 -5.199 1.00 0.00 C ATOM 0 H TRP A 105 0.224 5.593 -6.639 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.241 5.073 -5.488 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.635 4.628 -4.751 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.570 4.354 -3.509 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.153 2.537 -6.183 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.057 0.339 -6.815 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.313 3.449 -3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.584 -0.808 -6.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.088 1.748 -4.018 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.724 -0.355 -5.246 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.494 7.306 -3.778 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.608 8.371 -2.789 1.00 0.00 C ATOM 1665 C LYS A 106 -1.806 9.266 -3.087 1.00 0.00 C ATOM 1666 O LYS A 106 -2.716 9.395 -2.268 1.00 0.00 O ATOM 1667 CB LYS A 106 0.673 9.208 -2.761 1.00 0.00 C ATOM 1668 CG LYS A 106 0.548 10.483 -1.945 1.00 0.00 C ATOM 1669 CD LYS A 106 1.910 11.020 -1.537 1.00 0.00 C ATOM 1670 CE LYS A 106 1.847 12.503 -1.203 1.00 0.00 C ATOM 1671 NZ LYS A 106 2.024 13.352 -2.413 1.00 0.00 N ATOM 0 H LYS A 106 0.445 7.182 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.756 7.910 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.483 8.604 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.951 9.466 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.018 11.237 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.049 10.289 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.277 10.466 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.623 10.858 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.888 12.730 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.620 12.744 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.975 14.355 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.950 13.154 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.271 13.140 -3.099 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.801 9.880 -4.265 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.889 10.763 -4.672 1.00 0.00 C ATOM 1687 C PHE A 107 -4.240 10.078 -4.492 1.00 0.00 C ATOM 1688 O PHE A 107 -5.224 10.711 -4.106 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.710 11.188 -6.131 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.513 12.066 -6.357 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.245 13.127 -5.507 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.654 11.830 -7.419 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.144 13.937 -5.713 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.448 12.637 -7.630 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.704 13.691 -6.775 1.00 0.00 C ATOM 0 H PHE A 107 -1.056 9.783 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.863 11.649 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.619 10.297 -6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.605 11.716 -6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.904 13.323 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.848 11.006 -8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.053 14.762 -5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.108 12.444 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.566 14.322 -6.937 1.00 0.00 H new ATOM 1705 N THR A 108 -4.282 8.780 -4.776 1.00 0.00 N ATOM 1706 CA THR A 108 -5.513 8.009 -4.648 1.00 0.00 C ATOM 1707 C THR A 108 -5.948 7.907 -3.190 1.00 0.00 C ATOM 1708 O THR A 108 -7.086 8.230 -2.847 1.00 0.00 O ATOM 1709 CB THR A 108 -5.349 6.590 -5.224 1.00 0.00 C ATOM 1710 OG1 THR A 108 -4.717 6.652 -6.507 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.697 5.898 -5.349 1.00 0.00 C ATOM 0 H THR A 108 -3.478 8.240 -5.096 1.00 0.00 H new ATOM 0 HA THR A 108 -6.278 8.537 -5.217 1.00 0.00 H new ATOM 0 HB THR A 108 -4.725 6.014 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.770 6.880 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.556 4.898 -5.758 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.162 5.826 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.341 6.474 -6.013 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.036 7.456 -2.336 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.326 7.311 -0.913 1.00 0.00 C ATOM 1721 C LEU A 109 -5.704 8.654 -0.296 1.00 0.00 C ATOM 1722 O LEU A 109 -6.704 8.761 0.413 1.00 0.00 O ATOM 1723 CB LEU A 109 -4.117 6.724 -0.183 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.516 5.456 -0.792 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -2.077 5.275 -0.335 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.352 4.240 -0.425 1.00 0.00 C ATOM 0 H LEU A 109 -4.090 7.184 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.172 6.631 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.339 7.486 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.408 6.507 0.845 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.520 5.560 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.666 4.368 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.484 6.134 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.048 5.193 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.909 3.347 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.381 4.132 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.366 4.368 -0.804 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.899 9.674 -0.572 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.151 11.010 -0.045 1.00 0.00 C ATOM 1740 C GLN A 110 -6.550 11.488 -0.418 1.00 0.00 C ATOM 1741 O GLN A 110 -7.134 12.327 0.268 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.105 11.995 -0.571 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.817 12.004 0.237 1.00 0.00 C ATOM 1744 CD GLN A 110 -1.944 13.205 -0.071 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -1.251 13.238 -1.088 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.973 14.200 0.808 1.00 0.00 N ATOM 0 H GLN A 110 -4.067 9.601 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.081 10.963 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.873 11.747 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.531 12.998 -0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.059 11.998 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.258 11.091 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.562 14.130 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.406 15.034 0.653 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.082 10.949 -1.510 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.414 11.320 -1.974 1.00 0.00 C ATOM 1757 C ASP A 111 -9.480 10.449 -1.318 1.00 0.00 C ATOM 1758 O ASP A 111 -10.549 10.934 -0.947 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.499 11.194 -3.496 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.614 12.036 -4.085 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.475 13.277 -4.103 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.626 11.454 -4.528 1.00 0.00 O ATOM 0 H ASP A 111 -6.612 10.254 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.595 12.357 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.549 11.495 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.657 10.149 -3.763 1.00 0.00 H new ATOM 1767 N SER A 112 -9.183 9.161 -1.180 1.00 0.00 N ATOM 1768 CA SER A 112 -10.118 8.221 -0.573 1.00 0.00 C ATOM 1769 C SER A 112 -10.417 8.608 0.872 1.00 0.00 C ATOM 1770 O SER A 112 -11.374 8.119 1.472 1.00 0.00 O ATOM 1771 CB SER A 112 -9.553 6.800 -0.626 1.00 0.00 C ATOM 1772 OG SER A 112 -8.748 6.530 0.508 1.00 0.00 O ATOM 0 H SER A 112 -8.302 8.744 -1.480 1.00 0.00 H new ATOM 0 HA SER A 112 -11.048 8.256 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.371 6.081 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.963 6.673 -1.534 1.00 0.00 H new ATOM 0 HG SER A 112 -8.039 7.204 0.574 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.590 9.490 1.424 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.764 9.943 2.799 1.00 0.00 C ATOM 1780 C ARG A 113 -11.131 10.595 2.988 1.00 0.00 C ATOM 1781 O ARG A 113 -11.846 10.299 3.946 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.659 10.931 3.177 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.265 10.327 3.145 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.262 11.200 3.883 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.952 12.422 3.145 1.00 0.00 N ATOM 1786 CZ ARG A 113 -4.990 13.268 3.496 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -4.248 13.026 4.567 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -4.769 14.359 2.773 1.00 0.00 N ATOM 0 H ARG A 113 -8.793 9.905 0.941 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.702 9.073 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.694 11.780 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.855 11.318 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.287 9.335 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -6.946 10.200 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.660 11.460 4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.345 10.636 4.051 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.504 12.637 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.415 12.188 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.510 13.678 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.338 14.548 1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.030 15.009 3.043 1.00 0.00 H new ATOM 1802 N THR A 114 -11.488 11.486 2.068 1.00 0.00 N ATOM 1803 CA THR A 114 -12.767 12.181 2.133 1.00 0.00 C ATOM 1804 C THR A 114 -13.164 12.467 3.577 1.00 0.00 C ATOM 1805 O THR A 114 -14.348 12.488 3.913 1.00 0.00 O ATOM 1806 CB THR A 114 -13.885 11.366 1.457 1.00 0.00 C ATOM 1807 OG1 THR A 114 -15.096 12.130 1.422 1.00 0.00 O ATOM 1808 CG2 THR A 114 -14.126 10.059 2.199 1.00 0.00 C ATOM 0 H THR A 114 -10.909 11.743 1.269 1.00 0.00 H new ATOM 0 HA THR A 114 -12.642 13.123 1.600 1.00 0.00 H new ATOM 0 HB THR A 114 -13.571 11.136 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.249 12.541 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.920 9.500 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.211 9.467 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 114 -14.420 10.273 3.227 1.00 0.00 H new ATOM 1816 N SER A 115 -12.167 12.689 4.427 1.00 0.00 N ATOM 1817 CA SER A 115 -12.412 12.971 5.837 1.00 0.00 C ATOM 1818 C SER A 115 -12.425 14.474 6.096 1.00 0.00 C ATOM 1819 O SER A 115 -11.866 14.950 7.083 1.00 0.00 O ATOM 1820 CB SER A 115 -11.346 12.301 6.706 1.00 0.00 C ATOM 1821 OG SER A 115 -11.793 12.161 8.043 1.00 0.00 O ATOM 0 H SER A 115 -11.182 12.679 4.164 1.00 0.00 H new ATOM 0 HA SER A 115 -13.390 12.567 6.098 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.102 11.321 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.431 12.893 6.685 1.00 0.00 H new ATOM 0 HG SER A 115 -12.074 13.034 8.387 1.00 0.00 H new ATOM 1827 N GLY A 116 -13.068 15.217 5.200 1.00 0.00 N ATOM 1828 CA GLY A 116 -13.142 16.659 5.348 1.00 0.00 C ATOM 1829 C GLY A 116 -12.215 17.388 4.395 1.00 0.00 C ATOM 1830 O GLY A 116 -11.047 17.635 4.698 1.00 0.00 O ATOM 0 H GLY A 116 -13.539 14.846 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.167 16.987 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -12.890 16.929 6.373 1.00 0.00 H new ATOM 1834 N PRO A 117 -12.737 17.744 3.212 1.00 0.00 N ATOM 1835 CA PRO A 117 -11.965 18.453 2.187 1.00 0.00 C ATOM 1836 C PRO A 117 -11.649 19.889 2.590 1.00 0.00 C ATOM 1837 O PRO A 117 -10.623 20.444 2.194 1.00 0.00 O ATOM 1838 CB PRO A 117 -12.890 18.432 0.968 1.00 0.00 C ATOM 1839 CG PRO A 117 -14.262 18.309 1.536 1.00 0.00 C ATOM 1840 CD PRO A 117 -14.122 17.482 2.784 1.00 0.00 C ATOM 0 HA PRO A 117 -10.996 17.986 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.786 19.342 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.658 17.595 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -14.680 19.290 1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.937 17.832 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.842 17.780 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.288 16.423 2.585 1.00 0.00 H new ATOM 1848 N SER A 118 -12.535 20.487 3.381 1.00 0.00 N ATOM 1849 CA SER A 118 -12.351 21.860 3.835 1.00 0.00 C ATOM 1850 C SER A 118 -10.960 22.054 4.430 1.00 0.00 C ATOM 1851 O SER A 118 -10.218 22.949 4.025 1.00 0.00 O ATOM 1852 CB SER A 118 -13.416 22.224 4.870 1.00 0.00 C ATOM 1853 OG SER A 118 -14.702 22.291 4.278 1.00 0.00 O ATOM 0 H SER A 118 -13.387 20.041 3.720 1.00 0.00 H new ATOM 0 HA SER A 118 -12.453 22.518 2.972 1.00 0.00 H new ATOM 0 HB2 SER A 118 -13.419 21.483 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 118 -13.172 23.184 5.326 1.00 0.00 H new ATOM 0 HG SER A 118 -15.365 22.524 4.961 1.00 0.00 H new ATOM 1859 N SER A 119 -10.612 21.207 5.394 1.00 0.00 N ATOM 1860 CA SER A 119 -9.312 21.286 6.049 1.00 0.00 C ATOM 1861 C SER A 119 -8.418 20.125 5.624 1.00 0.00 C ATOM 1862 O SER A 119 -8.795 18.961 5.743 1.00 0.00 O ATOM 1863 CB SER A 119 -9.482 21.284 7.569 1.00 0.00 C ATOM 1864 OG SER A 119 -8.417 21.972 8.203 1.00 0.00 O ATOM 0 H SER A 119 -11.213 20.458 5.738 1.00 0.00 H new ATOM 0 HA SER A 119 -8.836 22.218 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 119 -10.430 21.753 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 119 -9.523 20.257 7.932 1.00 0.00 H new ATOM 0 HG SER A 119 -8.550 21.958 9.174 1.00 0.00 H new ATOM 1870 N GLY A 120 -7.229 20.453 5.126 1.00 0.00 N ATOM 1871 CA GLY A 120 -6.299 19.428 4.690 1.00 0.00 C ATOM 1872 C GLY A 120 -4.855 19.807 4.952 1.00 0.00 C ATOM 1873 O GLY A 120 -4.282 20.628 4.235 1.00 0.00 O ATOM 0 H GLY A 120 -6.894 21.410 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.525 18.494 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.436 19.247 3.624 1.00 0.00 H new TER 1877 GLY A 120