USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 779 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 65 GLN : amide:sc= 0 X(o=-1,f=-1) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Set 2.1: A 17 THR OG1 : rot -122:sc= 0.901 USER MOD Set 2.2: A 20 SER OG : rot 64:sc= 1.37! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.536 USER MOD Single : A 3 SER OG : rot 140:sc= 0 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 12 CYS SG : rot 60:sc= -3.74! USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.47 F(o=-2.2,f=-0.47) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.001 X(o=-0.001,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 121:sc= 0.838 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -49:sc= 0.116 USER MOD Single : A 30 SER OG : rot -120:sc= 0.00655 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.714! F(o=-1.9,f=-0.71!) USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= 1.09 (180deg=-0.236) USER MOD Single : A 42 LYS NZ :NH3+ -113:sc= -0.899 (180deg=-7.63!) USER MOD Single : A 44 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.1) USER MOD Single : A 45 TYR OH : rot 85:sc= 0.32! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.068) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00296 USER MOD Single : A 78 SER OG : rot -160:sc= -0.352 USER MOD Single : A 82 TYR OH : rot -115:sc= 0.252 USER MOD Single : A 84 TYR OH : rot 180:sc=-0.00791 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.61 F(o=-4.3!,f=-2.6) USER MOD Single : A 98 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.874 -5.207 -12.966 1.00 0.00 N ATOM 2 CA GLY A 1 -19.408 -5.751 -11.701 1.00 0.00 C ATOM 3 C GLY A 1 -17.954 -5.353 -11.437 1.00 0.00 C ATOM 4 O GLY A 1 -17.606 -4.175 -11.509 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.862 -5.490 -13.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.811 -4.169 -12.942 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.282 -5.572 -13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.041 -5.390 -10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.495 -6.837 -11.714 1.00 0.00 H new ATOM 8 N SER A 2 -17.144 -6.357 -11.136 1.00 0.00 N ATOM 9 CA SER A 2 -15.736 -6.127 -10.861 1.00 0.00 C ATOM 10 C SER A 2 -14.932 -7.396 -11.151 1.00 0.00 C ATOM 11 O SER A 2 -14.010 -7.378 -11.964 1.00 0.00 O ATOM 12 CB SER A 2 -15.524 -5.683 -9.412 1.00 0.00 C ATOM 13 OG SER A 2 -15.833 -4.305 -9.225 1.00 0.00 O ATOM 0 H SER A 2 -17.436 -7.332 -11.076 1.00 0.00 H new ATOM 0 HA SER A 2 -15.386 -5.327 -11.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.148 -6.287 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.488 -5.864 -9.125 1.00 0.00 H new ATOM 0 HG SER A 2 -16.391 -3.991 -9.967 1.00 0.00 H new ATOM 19 N SER A 3 -15.311 -8.467 -10.469 1.00 0.00 N ATOM 20 CA SER A 3 -14.636 -9.742 -10.643 1.00 0.00 C ATOM 21 C SER A 3 -15.281 -10.802 -9.748 1.00 0.00 C ATOM 22 O SER A 3 -16.043 -10.472 -8.840 1.00 0.00 O ATOM 23 CB SER A 3 -13.143 -9.622 -10.333 1.00 0.00 C ATOM 24 OG SER A 3 -12.360 -10.510 -11.126 1.00 0.00 O ATOM 0 H SER A 3 -16.077 -8.478 -9.795 1.00 0.00 H new ATOM 0 HA SER A 3 -14.739 -10.044 -11.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.818 -8.597 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.974 -9.834 -9.277 1.00 0.00 H new ATOM 0 HG SER A 3 -11.540 -10.056 -11.413 1.00 0.00 H new ATOM 30 N GLY A 4 -14.953 -12.053 -10.035 1.00 0.00 N ATOM 31 CA GLY A 4 -15.490 -13.163 -9.267 1.00 0.00 C ATOM 32 C GLY A 4 -14.935 -14.497 -9.769 1.00 0.00 C ATOM 33 O GLY A 4 -15.365 -15.001 -10.806 1.00 0.00 O ATOM 0 H GLY A 4 -14.322 -12.323 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.241 -13.035 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.578 -13.167 -9.339 1.00 0.00 H new ATOM 37 N SER A 5 -13.989 -15.031 -9.012 1.00 0.00 N ATOM 38 CA SER A 5 -13.370 -16.297 -9.367 1.00 0.00 C ATOM 39 C SER A 5 -13.384 -17.242 -8.165 1.00 0.00 C ATOM 40 O SER A 5 -13.696 -16.829 -7.049 1.00 0.00 O ATOM 41 CB SER A 5 -11.938 -16.090 -9.863 1.00 0.00 C ATOM 42 OG SER A 5 -11.901 -15.607 -11.203 1.00 0.00 O ATOM 0 H SER A 5 -13.635 -14.610 -8.153 1.00 0.00 H new ATOM 0 HA SER A 5 -13.946 -16.743 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.427 -15.384 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.394 -17.032 -9.802 1.00 0.00 H new ATOM 0 HG SER A 5 -10.969 -15.486 -11.482 1.00 0.00 H new ATOM 48 N SER A 6 -13.043 -18.494 -8.432 1.00 0.00 N ATOM 49 CA SER A 6 -13.012 -19.501 -7.386 1.00 0.00 C ATOM 50 C SER A 6 -11.607 -20.096 -7.272 1.00 0.00 C ATOM 51 O SER A 6 -10.839 -20.070 -8.233 1.00 0.00 O ATOM 52 CB SER A 6 -14.035 -20.607 -7.655 1.00 0.00 C ATOM 53 OG SER A 6 -15.141 -20.541 -6.758 1.00 0.00 O ATOM 0 H SER A 6 -12.786 -18.834 -9.359 1.00 0.00 H new ATOM 0 HA SER A 6 -13.274 -19.021 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.395 -20.526 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.551 -21.579 -7.563 1.00 0.00 H new ATOM 0 HG SER A 6 -15.772 -21.262 -6.963 1.00 0.00 H new ATOM 59 N GLY A 7 -11.313 -20.617 -6.090 1.00 0.00 N ATOM 60 CA GLY A 7 -10.014 -21.217 -5.839 1.00 0.00 C ATOM 61 C GLY A 7 -8.886 -20.306 -6.328 1.00 0.00 C ATOM 62 O GLY A 7 -8.407 -20.453 -7.451 1.00 0.00 O ATOM 0 H GLY A 7 -11.952 -20.636 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.897 -21.406 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.951 -22.182 -6.343 1.00 0.00 H new ATOM 66 N GLU A 8 -8.494 -19.385 -5.459 1.00 0.00 N ATOM 67 CA GLU A 8 -7.431 -18.450 -5.788 1.00 0.00 C ATOM 68 C GLU A 8 -6.444 -18.338 -4.625 1.00 0.00 C ATOM 69 O GLU A 8 -5.296 -18.767 -4.737 1.00 0.00 O ATOM 70 CB GLU A 8 -8.001 -17.080 -6.158 1.00 0.00 C ATOM 71 CG GLU A 8 -8.915 -17.177 -7.381 1.00 0.00 C ATOM 72 CD GLU A 8 -8.269 -18.022 -8.482 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.038 -17.886 -8.652 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.021 -18.783 -9.127 1.00 0.00 O ATOM 0 H GLU A 8 -8.893 -19.266 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.895 -18.830 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.559 -16.675 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.186 -16.387 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.869 -17.617 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.127 -16.178 -7.761 1.00 0.00 H new ATOM 81 N GLU A 9 -6.926 -17.760 -3.535 1.00 0.00 N ATOM 82 CA GLU A 9 -6.100 -17.586 -2.352 1.00 0.00 C ATOM 83 C GLU A 9 -4.896 -16.697 -2.671 1.00 0.00 C ATOM 84 O GLU A 9 -3.992 -17.108 -3.397 1.00 0.00 O ATOM 85 CB GLU A 9 -5.651 -18.938 -1.793 1.00 0.00 C ATOM 86 CG GLU A 9 -6.824 -19.684 -1.154 1.00 0.00 C ATOM 87 CD GLU A 9 -6.691 -19.712 0.370 1.00 0.00 C ATOM 88 OE1 GLU A 9 -6.447 -18.626 0.938 1.00 0.00 O ATOM 89 OE2 GLU A 9 -6.837 -20.819 0.932 1.00 0.00 O ATOM 0 H GLU A 9 -7.878 -17.406 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.697 -17.093 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.223 -19.542 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.865 -18.787 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.761 -19.202 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.864 -20.703 -1.538 1.00 0.00 H new ATOM 96 N ILE A 10 -4.924 -15.496 -2.114 1.00 0.00 N ATOM 97 CA ILE A 10 -3.846 -14.546 -2.330 1.00 0.00 C ATOM 98 C ILE A 10 -4.046 -13.337 -1.414 1.00 0.00 C ATOM 99 O ILE A 10 -5.165 -13.054 -0.989 1.00 0.00 O ATOM 100 CB ILE A 10 -3.740 -14.183 -3.812 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.360 -13.609 -4.140 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.868 -13.237 -4.227 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.809 -14.210 -5.434 1.00 0.00 C ATOM 0 H ILE A 10 -5.676 -15.159 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.887 -14.992 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.855 -15.096 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.427 -12.525 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.673 -13.813 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.769 -12.995 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.830 -13.720 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.810 -12.321 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.827 -13.785 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.720 -15.291 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.486 -13.983 -6.258 1.00 0.00 H new ATOM 115 N PHE A 11 -2.944 -12.656 -1.137 1.00 0.00 N ATOM 116 CA PHE A 11 -2.984 -11.483 -0.279 1.00 0.00 C ATOM 117 C PHE A 11 -2.148 -10.345 -0.867 1.00 0.00 C ATOM 118 O PHE A 11 -1.133 -10.588 -1.518 1.00 0.00 O ATOM 119 CB PHE A 11 -2.389 -11.895 1.069 1.00 0.00 C ATOM 120 CG PHE A 11 -3.421 -12.026 2.191 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.060 -13.209 2.392 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.699 -10.959 2.987 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.018 -13.331 3.434 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.656 -11.081 4.029 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.296 -12.264 4.230 1.00 0.00 C ATOM 0 H PHE A 11 -2.018 -12.894 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.010 -11.129 -0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.873 -12.848 0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.639 -11.161 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.839 -14.056 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.192 -10.019 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.525 -14.271 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.876 -10.234 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.025 -12.356 5.022 1.00 0.00 H new ATOM 135 N CYS A 12 -2.605 -9.127 -0.615 1.00 0.00 N ATOM 136 CA CYS A 12 -1.912 -7.950 -1.111 1.00 0.00 C ATOM 137 C CYS A 12 -1.257 -7.242 0.077 1.00 0.00 C ATOM 138 O CYS A 12 -1.900 -6.448 0.762 1.00 0.00 O ATOM 139 CB CYS A 12 -2.853 -7.022 -1.881 1.00 0.00 C ATOM 140 SG CYS A 12 -1.972 -5.488 -2.351 1.00 0.00 S ATOM 0 H CYS A 12 -3.447 -8.930 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.143 -8.250 -1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.224 -7.526 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.721 -6.780 -1.267 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.953 -5.785 -3.102 1.00 0.00 H new ATOM 146 N HIS A 13 0.014 -7.555 0.284 1.00 0.00 N ATOM 147 CA HIS A 13 0.762 -6.959 1.377 1.00 0.00 C ATOM 148 C HIS A 13 1.239 -5.563 0.971 1.00 0.00 C ATOM 149 O HIS A 13 2.094 -5.424 0.098 1.00 0.00 O ATOM 150 CB HIS A 13 1.909 -7.873 1.813 1.00 0.00 C ATOM 151 CG HIS A 13 1.506 -8.928 2.815 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.163 -8.823 4.131 1.00 0.00 N flip ATOM 153 CD2 HIS A 13 1.426 -10.273 2.497 1.00 0.00 C flip ATOM 154 CE1 HIS A 13 0.887 -10.037 4.592 1.00 0.00 C flip ATOM 155 NE2 HIS A 13 1.049 -10.937 3.580 1.00 0.00 N flip ATOM 0 H HIS A 13 0.544 -8.213 -0.287 1.00 0.00 H new ATOM 0 HA HIS A 13 0.114 -6.846 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.325 -8.363 0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.703 -7.263 2.243 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.125 -7.958 4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.635 -10.707 1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.584 -10.273 5.601 1.00 0.00 H new ATOM 163 N VAL A 14 0.665 -4.563 1.625 1.00 0.00 N ATOM 164 CA VAL A 14 1.021 -3.183 1.343 1.00 0.00 C ATOM 165 C VAL A 14 1.831 -2.620 2.513 1.00 0.00 C ATOM 166 O VAL A 14 1.413 -2.719 3.666 1.00 0.00 O ATOM 167 CB VAL A 14 -0.239 -2.369 1.043 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.166 -3.126 0.089 1.00 0.00 C ATOM 169 CG2 VAL A 14 -0.970 -1.993 2.333 1.00 0.00 C ATOM 0 H VAL A 14 -0.044 -4.681 2.349 1.00 0.00 H new ATOM 0 HA VAL A 14 1.650 -3.125 0.454 1.00 0.00 H new ATOM 0 HB VAL A 14 0.068 -1.446 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.054 -2.526 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.644 -3.320 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.461 -4.072 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.862 -1.415 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.259 -2.899 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.311 -1.396 2.964 1.00 0.00 H new ATOM 179 N TYR A 15 2.975 -2.043 2.176 1.00 0.00 N ATOM 180 CA TYR A 15 3.847 -1.465 3.184 1.00 0.00 C ATOM 181 C TYR A 15 3.598 0.038 3.327 1.00 0.00 C ATOM 182 O TYR A 15 3.843 0.803 2.395 1.00 0.00 O ATOM 183 CB TYR A 15 5.275 -1.688 2.684 1.00 0.00 C ATOM 184 CG TYR A 15 5.797 -3.110 2.904 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.915 -4.172 2.929 1.00 0.00 C ATOM 186 CD2 TYR A 15 7.148 -3.330 3.078 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.406 -5.509 3.136 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.638 -4.668 3.285 1.00 0.00 C ATOM 189 CZ TYR A 15 6.743 -5.691 3.304 1.00 0.00 C ATOM 190 OH TYR A 15 7.207 -6.955 3.500 1.00 0.00 O ATOM 0 H TYR A 15 3.318 -1.963 1.219 1.00 0.00 H new ATOM 0 HA TYR A 15 3.668 -1.925 4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.316 -1.457 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.939 -0.986 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.858 -4.000 2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.838 -2.499 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.728 -6.349 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.693 -4.855 3.422 1.00 0.00 H new ATOM 0 HH TYR A 15 8.181 -6.933 3.604 1.00 0.00 H new ATOM 200 N ILE A 16 3.115 0.417 4.501 1.00 0.00 N ATOM 201 CA ILE A 16 2.831 1.814 4.778 1.00 0.00 C ATOM 202 C ILE A 16 4.137 2.611 4.750 1.00 0.00 C ATOM 203 O ILE A 16 4.264 3.575 3.996 1.00 0.00 O ATOM 204 CB ILE A 16 2.054 1.953 6.089 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.903 0.947 6.153 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.570 3.391 6.289 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.881 0.225 7.502 1.00 0.00 C ATOM 0 H ILE A 16 2.913 -0.220 5.272 1.00 0.00 H new ATOM 0 HA ILE A 16 2.185 2.232 4.006 1.00 0.00 H new ATOM 0 HB ILE A 16 2.729 1.723 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.045 1.463 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.006 0.219 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.021 3.463 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.428 4.063 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.916 3.673 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.054 -0.484 7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.820 -0.309 7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.753 0.954 8.303 1.00 0.00 H new ATOM 219 N THR A 17 5.074 2.180 5.581 1.00 0.00 N ATOM 220 CA THR A 17 6.365 2.841 5.661 1.00 0.00 C ATOM 221 C THR A 17 7.485 1.872 5.278 1.00 0.00 C ATOM 222 O THR A 17 7.377 1.153 4.285 1.00 0.00 O ATOM 223 CB THR A 17 6.516 3.416 7.071 1.00 0.00 C ATOM 224 OG1 THR A 17 6.423 2.277 7.922 1.00 0.00 O ATOM 225 CG2 THR A 17 5.324 4.284 7.480 1.00 0.00 C ATOM 0 H THR A 17 4.965 1.381 6.205 1.00 0.00 H new ATOM 0 HA THR A 17 6.432 3.664 4.950 1.00 0.00 H new ATOM 0 HB THR A 17 7.431 4.006 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.683 2.399 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.482 4.667 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.227 5.119 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.413 3.685 7.458 1.00 0.00 H new ATOM 233 N GLU A 18 8.536 1.882 6.085 1.00 0.00 N ATOM 234 CA GLU A 18 9.675 1.013 5.842 1.00 0.00 C ATOM 235 C GLU A 18 9.496 -0.314 6.582 1.00 0.00 C ATOM 236 O GLU A 18 9.856 -1.371 6.064 1.00 0.00 O ATOM 237 CB GLU A 18 10.982 1.696 6.249 1.00 0.00 C ATOM 238 CG GLU A 18 12.177 1.065 5.532 1.00 0.00 C ATOM 239 CD GLU A 18 12.715 1.994 4.442 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.047 2.081 3.389 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.783 2.597 4.686 1.00 0.00 O ATOM 0 H GLU A 18 8.623 2.478 6.908 1.00 0.00 H new ATOM 0 HA GLU A 18 9.729 0.807 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.930 2.759 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.117 1.617 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.966 0.849 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.880 0.114 5.090 1.00 0.00 H new ATOM 248 N HIS A 19 8.941 -0.217 7.781 1.00 0.00 N ATOM 249 CA HIS A 19 8.711 -1.397 8.597 1.00 0.00 C ATOM 250 C HIS A 19 7.238 -1.459 9.005 1.00 0.00 C ATOM 251 O HIS A 19 6.913 -1.892 10.110 1.00 0.00 O ATOM 252 CB HIS A 19 9.660 -1.422 9.796 1.00 0.00 C ATOM 253 CG HIS A 19 11.081 -1.035 9.464 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.964 -1.894 8.832 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.763 0.126 9.680 1.00 0.00 C ATOM 256 CE1 HIS A 19 13.121 -1.268 8.681 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.995 -0.016 9.207 1.00 0.00 N ATOM 0 H HIS A 19 8.644 0.661 8.207 1.00 0.00 H new ATOM 0 HA HIS A 19 8.929 -2.293 8.017 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.280 -0.745 10.561 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.658 -2.423 10.227 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.368 1.011 10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.009 -1.677 8.222 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.727 0.694 9.233 1.00 0.00 H new ATOM 265 N SER A 20 6.385 -1.020 8.091 1.00 0.00 N ATOM 266 CA SER A 20 4.953 -1.020 8.342 1.00 0.00 C ATOM 267 C SER A 20 4.201 -1.452 7.082 1.00 0.00 C ATOM 268 O SER A 20 4.531 -1.019 5.979 1.00 0.00 O ATOM 269 CB SER A 20 4.474 0.360 8.799 1.00 0.00 C ATOM 270 OG SER A 20 5.418 0.996 9.657 1.00 0.00 O ATOM 0 H SER A 20 6.658 -0.662 7.176 1.00 0.00 H new ATOM 0 HA SER A 20 4.746 -1.730 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.296 0.989 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.522 0.259 9.319 1.00 0.00 H new ATOM 0 HG SER A 20 6.250 1.159 9.165 1.00 0.00 H new ATOM 276 N TYR A 21 3.205 -2.300 7.288 1.00 0.00 N ATOM 277 CA TYR A 21 2.403 -2.796 6.183 1.00 0.00 C ATOM 278 C TYR A 21 1.066 -3.350 6.680 1.00 0.00 C ATOM 279 O TYR A 21 0.855 -3.483 7.884 1.00 0.00 O ATOM 280 CB TYR A 21 3.210 -3.934 5.553 1.00 0.00 C ATOM 281 CG TYR A 21 3.169 -5.240 6.348 1.00 0.00 C ATOM 282 CD1 TYR A 21 4.088 -5.466 7.353 1.00 0.00 C ATOM 283 CD2 TYR A 21 2.212 -6.192 6.062 1.00 0.00 C ATOM 284 CE1 TYR A 21 4.049 -6.696 8.101 1.00 0.00 C ATOM 285 CE2 TYR A 21 2.174 -7.422 6.810 1.00 0.00 C ATOM 286 CZ TYR A 21 3.094 -7.613 7.793 1.00 0.00 C ATOM 287 OH TYR A 21 3.057 -8.774 8.500 1.00 0.00 O ATOM 0 H TYR A 21 2.935 -2.657 8.205 1.00 0.00 H new ATOM 0 HA TYR A 21 2.187 -1.995 5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.832 -4.121 4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.247 -3.616 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.836 -4.720 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.492 -6.015 5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.763 -6.886 8.889 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.431 -8.176 6.595 1.00 0.00 H new ATOM 0 HH TYR A 21 2.322 -9.334 8.172 1.00 0.00 H new ATOM 297 N VAL A 22 0.198 -3.657 5.727 1.00 0.00 N ATOM 298 CA VAL A 22 -1.112 -4.194 6.053 1.00 0.00 C ATOM 299 C VAL A 22 -1.519 -5.216 4.989 1.00 0.00 C ATOM 300 O VAL A 22 -1.572 -4.895 3.803 1.00 0.00 O ATOM 301 CB VAL A 22 -2.121 -3.053 6.203 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.044 -2.092 5.015 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.541 -3.597 6.377 1.00 0.00 C ATOM 0 H VAL A 22 0.376 -3.544 4.729 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.085 -4.715 7.010 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.863 -2.494 7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.771 -1.291 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.042 -1.666 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.263 -2.633 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.239 -2.766 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.812 -4.191 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.585 -4.222 7.269 1.00 0.00 H new ATOM 313 N SER A 23 -1.797 -6.425 5.452 1.00 0.00 N ATOM 314 CA SER A 23 -2.197 -7.496 4.556 1.00 0.00 C ATOM 315 C SER A 23 -3.652 -7.301 4.124 1.00 0.00 C ATOM 316 O SER A 23 -4.467 -6.788 4.890 1.00 0.00 O ATOM 317 CB SER A 23 -2.019 -8.864 5.218 1.00 0.00 C ATOM 318 OG SER A 23 -3.214 -9.309 5.855 1.00 0.00 O ATOM 0 H SER A 23 -1.753 -6.687 6.437 1.00 0.00 H new ATOM 0 HA SER A 23 -1.555 -7.462 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.715 -9.593 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.215 -8.809 5.952 1.00 0.00 H new ATOM 0 HG SER A 23 -3.493 -10.164 5.466 1.00 0.00 H new ATOM 324 N VAL A 24 -3.934 -7.720 2.900 1.00 0.00 N ATOM 325 CA VAL A 24 -5.276 -7.598 2.357 1.00 0.00 C ATOM 326 C VAL A 24 -5.623 -8.866 1.575 1.00 0.00 C ATOM 327 O VAL A 24 -4.872 -9.281 0.694 1.00 0.00 O ATOM 328 CB VAL A 24 -5.386 -6.326 1.514 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.652 -6.345 0.655 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.341 -5.077 2.396 1.00 0.00 C ATOM 0 H VAL A 24 -3.255 -8.145 2.268 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.006 -7.503 3.161 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.527 -6.294 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.706 -5.430 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.625 -7.206 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.528 -6.413 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.421 -4.187 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.171 -5.100 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.399 -5.052 2.944 1.00 0.00 H new ATOM 340 N LYS A 25 -6.762 -9.446 1.924 1.00 0.00 N ATOM 341 CA LYS A 25 -7.217 -10.658 1.266 1.00 0.00 C ATOM 342 C LYS A 25 -8.107 -10.285 0.078 1.00 0.00 C ATOM 343 O LYS A 25 -9.292 -10.004 0.250 1.00 0.00 O ATOM 344 CB LYS A 25 -7.894 -11.593 2.271 1.00 0.00 C ATOM 345 CG LYS A 25 -8.061 -12.997 1.688 1.00 0.00 C ATOM 346 CD LYS A 25 -9.106 -13.795 2.471 1.00 0.00 C ATOM 347 CE LYS A 25 -8.512 -15.101 3.004 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.501 -16.198 2.907 1.00 0.00 N ATOM 0 H LYS A 25 -7.383 -9.098 2.654 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.369 -11.216 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.300 -11.643 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.869 -11.192 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.360 -12.927 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.105 -13.521 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.479 -13.196 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.958 -14.015 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.618 -15.359 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.205 -14.971 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.082 -17.077 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.343 -15.957 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.774 -16.332 1.912 1.00 0.00 H new ATOM 362 N ALA A 26 -7.502 -10.294 -1.100 1.00 0.00 N ATOM 363 CA ALA A 26 -8.224 -9.960 -2.315 1.00 0.00 C ATOM 364 C ALA A 26 -8.162 -11.144 -3.283 1.00 0.00 C ATOM 365 O ALA A 26 -7.546 -12.165 -2.981 1.00 0.00 O ATOM 366 CB ALA A 26 -7.641 -8.681 -2.921 1.00 0.00 C ATOM 0 H ALA A 26 -6.519 -10.528 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.274 -9.768 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.183 -8.431 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.736 -7.864 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.588 -8.837 -3.156 1.00 0.00 H new ATOM 372 N LYS A 27 -8.807 -10.968 -4.426 1.00 0.00 N ATOM 373 CA LYS A 27 -8.833 -12.009 -5.439 1.00 0.00 C ATOM 374 C LYS A 27 -7.527 -11.972 -6.235 1.00 0.00 C ATOM 375 O LYS A 27 -6.730 -11.047 -6.084 1.00 0.00 O ATOM 376 CB LYS A 27 -10.086 -11.881 -6.307 1.00 0.00 C ATOM 377 CG LYS A 27 -11.336 -11.697 -5.443 1.00 0.00 C ATOM 378 CD LYS A 27 -11.694 -12.994 -4.715 1.00 0.00 C ATOM 379 CE LYS A 27 -13.173 -13.337 -4.903 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.648 -14.206 -3.804 1.00 0.00 N ATOM 0 H LYS A 27 -9.316 -10.119 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.896 -12.992 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.979 -11.033 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.196 -12.771 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.167 -10.903 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.172 -11.384 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.077 -13.809 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.473 -12.892 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.764 -12.421 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.317 -13.839 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.654 -14.429 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.096 -15.087 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.529 -13.714 -2.896 1.00 0.00 H new ATOM 394 N VAL A 28 -7.349 -12.988 -7.066 1.00 0.00 N ATOM 395 CA VAL A 28 -6.153 -13.084 -7.886 1.00 0.00 C ATOM 396 C VAL A 28 -6.214 -12.028 -8.993 1.00 0.00 C ATOM 397 O VAL A 28 -5.212 -11.758 -9.653 1.00 0.00 O ATOM 398 CB VAL A 28 -6.001 -14.507 -8.426 1.00 0.00 C ATOM 399 CG1 VAL A 28 -7.052 -14.804 -9.497 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.588 -14.741 -8.965 1.00 0.00 C ATOM 0 H VAL A 28 -8.013 -13.752 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.264 -12.881 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.163 -15.197 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.921 -15.822 -9.863 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.048 -14.698 -9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.937 -14.103 -10.324 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.507 -15.760 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.385 -14.037 -9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.864 -14.592 -8.164 1.00 0.00 H new ATOM 410 N SER A 29 -7.399 -11.461 -9.161 1.00 0.00 N ATOM 411 CA SER A 29 -7.603 -10.441 -10.176 1.00 0.00 C ATOM 412 C SER A 29 -8.207 -9.186 -9.543 1.00 0.00 C ATOM 413 O SER A 29 -8.900 -8.421 -10.212 1.00 0.00 O ATOM 414 CB SER A 29 -8.505 -10.955 -11.299 1.00 0.00 C ATOM 415 OG SER A 29 -8.399 -10.158 -12.476 1.00 0.00 O ATOM 0 H SER A 29 -8.228 -11.688 -8.612 1.00 0.00 H new ATOM 0 HA SER A 29 -6.635 -10.191 -10.609 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.240 -11.986 -11.534 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.540 -10.962 -10.958 1.00 0.00 H new ATOM 0 HG SER A 29 -8.490 -9.211 -12.239 1.00 0.00 H new ATOM 421 N SER A 30 -7.922 -9.013 -8.260 1.00 0.00 N ATOM 422 CA SER A 30 -8.428 -7.864 -7.530 1.00 0.00 C ATOM 423 C SER A 30 -7.539 -6.646 -7.788 1.00 0.00 C ATOM 424 O SER A 30 -6.320 -6.722 -7.647 1.00 0.00 O ATOM 425 CB SER A 30 -8.506 -8.156 -6.030 1.00 0.00 C ATOM 426 OG SER A 30 -9.843 -8.088 -5.541 1.00 0.00 O ATOM 0 H SER A 30 -7.347 -9.650 -7.708 1.00 0.00 H new ATOM 0 HA SER A 30 -9.436 -7.651 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.098 -9.147 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.885 -7.442 -5.489 1.00 0.00 H new ATOM 0 HG SER A 30 -9.903 -7.399 -4.847 1.00 0.00 H new ATOM 432 N ILE A 31 -8.184 -5.551 -8.162 1.00 0.00 N ATOM 433 CA ILE A 31 -7.467 -4.318 -8.441 1.00 0.00 C ATOM 434 C ILE A 31 -6.930 -3.737 -7.132 1.00 0.00 C ATOM 435 O ILE A 31 -7.370 -4.125 -6.050 1.00 0.00 O ATOM 436 CB ILE A 31 -8.353 -3.349 -9.227 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.723 -3.199 -8.564 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.468 -3.776 -10.691 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.389 -1.883 -8.972 1.00 0.00 C ATOM 0 H ILE A 31 -9.196 -5.492 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.605 -4.515 -9.079 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.880 -2.367 -9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.361 -4.036 -8.846 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.612 -3.234 -7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.103 -3.071 -11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.477 -3.790 -11.145 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.906 -4.773 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.362 -1.802 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.760 -1.047 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.521 -1.862 -10.054 1.00 0.00 H new ATOM 451 N ALA A 32 -5.988 -2.817 -7.272 1.00 0.00 N ATOM 452 CA ALA A 32 -5.387 -2.179 -6.113 1.00 0.00 C ATOM 453 C ALA A 32 -6.481 -1.508 -5.281 1.00 0.00 C ATOM 454 O ALA A 32 -6.456 -1.569 -4.052 1.00 0.00 O ATOM 455 CB ALA A 32 -4.315 -1.189 -6.574 1.00 0.00 C ATOM 0 H ALA A 32 -5.626 -2.498 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.897 -2.918 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.864 -0.710 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.546 -1.720 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.770 -0.430 -7.211 1.00 0.00 H new ATOM 461 N GLN A 33 -7.416 -0.884 -5.983 1.00 0.00 N ATOM 462 CA GLN A 33 -8.517 -0.203 -5.324 1.00 0.00 C ATOM 463 C GLN A 33 -9.192 -1.137 -4.317 1.00 0.00 C ATOM 464 O GLN A 33 -9.498 -0.731 -3.197 1.00 0.00 O ATOM 465 CB GLN A 33 -9.526 0.324 -6.346 1.00 0.00 C ATOM 466 CG GLN A 33 -10.892 0.556 -5.698 1.00 0.00 C ATOM 467 CD GLN A 33 -10.830 1.700 -4.684 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.028 2.904 -5.213 1.00 0.00 O flip ATOM 469 NE2 GLN A 33 -10.617 1.503 -3.499 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.433 -0.836 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.117 0.654 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.160 1.257 -6.776 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.624 -0.388 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.629 0.787 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.223 -0.357 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.473 0.553 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.583 2.289 -2.849 1.00 0.00 H new ATOM 478 N GLU A 34 -9.406 -2.370 -4.753 1.00 0.00 N ATOM 479 CA GLU A 34 -10.040 -3.364 -3.903 1.00 0.00 C ATOM 480 C GLU A 34 -9.202 -3.598 -2.645 1.00 0.00 C ATOM 481 O GLU A 34 -9.684 -4.179 -1.673 1.00 0.00 O ATOM 482 CB GLU A 34 -10.264 -4.672 -4.665 1.00 0.00 C ATOM 483 CG GLU A 34 -11.434 -4.544 -5.642 1.00 0.00 C ATOM 484 CD GLU A 34 -12.722 -4.165 -4.908 1.00 0.00 C ATOM 485 OE1 GLU A 34 -13.233 -5.037 -4.172 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.167 -3.013 -5.100 1.00 0.00 O ATOM 0 H GLU A 34 -9.152 -2.703 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.016 -2.986 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.358 -4.939 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.462 -5.479 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.204 -3.789 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.576 -5.487 -6.170 1.00 0.00 H new ATOM 493 N ILE A 35 -7.962 -3.136 -2.703 1.00 0.00 N ATOM 494 CA ILE A 35 -7.053 -3.288 -1.580 1.00 0.00 C ATOM 495 C ILE A 35 -7.051 -2.001 -0.752 1.00 0.00 C ATOM 496 O ILE A 35 -7.215 -2.042 0.466 1.00 0.00 O ATOM 497 CB ILE A 35 -5.664 -3.707 -2.067 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.767 -4.696 -3.231 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.823 -4.262 -0.916 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.312 -6.045 -2.758 1.00 0.00 C ATOM 0 H ILE A 35 -7.565 -2.656 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.391 -4.090 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.151 -2.821 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.418 -4.287 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.785 -4.835 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.841 -4.552 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.708 -3.497 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.320 -5.133 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.375 -6.729 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.645 -6.462 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.304 -5.906 -2.329 1.00 0.00 H new ATOM 512 N LEU A 36 -6.864 -0.889 -1.447 1.00 0.00 N ATOM 513 CA LEU A 36 -6.839 0.408 -0.792 1.00 0.00 C ATOM 514 C LEU A 36 -8.092 0.562 0.072 1.00 0.00 C ATOM 515 O LEU A 36 -8.009 0.994 1.221 1.00 0.00 O ATOM 516 CB LEU A 36 -6.661 1.525 -1.822 1.00 0.00 C ATOM 517 CG LEU A 36 -6.371 2.918 -1.257 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.956 2.992 -0.681 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.618 3.999 -2.311 1.00 0.00 C ATOM 0 H LEU A 36 -6.728 -0.859 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.980 0.482 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.846 1.249 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.565 1.581 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.063 3.105 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.776 3.992 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.851 2.261 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.232 2.776 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.405 4.979 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.967 3.827 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.659 3.962 -2.633 1.00 0.00 H new ATOM 531 N LYS A 37 -9.224 0.199 -0.513 1.00 0.00 N ATOM 532 CA LYS A 37 -10.492 0.292 0.189 1.00 0.00 C ATOM 533 C LYS A 37 -10.428 -0.553 1.463 1.00 0.00 C ATOM 534 O LYS A 37 -11.116 -0.262 2.441 1.00 0.00 O ATOM 535 CB LYS A 37 -11.648 -0.084 -0.740 1.00 0.00 C ATOM 536 CG LYS A 37 -11.501 -1.521 -1.245 1.00 0.00 C ATOM 537 CD LYS A 37 -12.691 -2.379 -0.811 1.00 0.00 C ATOM 538 CE LYS A 37 -12.492 -3.840 -1.221 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.796 -4.487 -1.483 1.00 0.00 N ATOM 0 H LYS A 37 -9.289 -0.160 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.682 1.320 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.595 0.024 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.676 0.602 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.425 -1.522 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.577 -1.953 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.815 -2.315 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.606 -1.993 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.868 -3.892 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.965 -4.377 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.897 -5.323 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.564 -3.815 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.845 -4.778 -2.480 1.00 0.00 H new ATOM 553 N VAL A 38 -9.595 -1.582 1.411 1.00 0.00 N ATOM 554 CA VAL A 38 -9.432 -2.471 2.548 1.00 0.00 C ATOM 555 C VAL A 38 -8.384 -1.890 3.499 1.00 0.00 C ATOM 556 O VAL A 38 -8.611 -1.807 4.705 1.00 0.00 O ATOM 557 CB VAL A 38 -9.085 -3.881 2.065 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.123 -4.882 3.222 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.015 -4.317 0.932 1.00 0.00 C ATOM 0 H VAL A 38 -9.026 -1.820 0.599 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.366 -2.553 3.105 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.068 -3.860 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.873 -5.876 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.401 -4.586 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.122 -4.898 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.747 -5.322 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.046 -4.313 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.916 -3.627 0.094 1.00 0.00 H new ATOM 569 N VAL A 39 -7.257 -1.501 2.919 1.00 0.00 N ATOM 570 CA VAL A 39 -6.173 -0.929 3.699 1.00 0.00 C ATOM 571 C VAL A 39 -6.684 0.304 4.448 1.00 0.00 C ATOM 572 O VAL A 39 -6.511 0.414 5.661 1.00 0.00 O ATOM 573 CB VAL A 39 -4.979 -0.626 2.792 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.839 0.018 3.583 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.502 -1.889 2.073 1.00 0.00 C ATOM 0 H VAL A 39 -7.072 -1.571 1.918 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.823 -1.641 4.447 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.306 0.087 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.003 0.223 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.186 0.951 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.515 -0.661 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.653 -1.646 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.201 -2.635 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.312 -2.288 1.462 1.00 0.00 H new ATOM 585 N ALA A 40 -7.302 1.201 3.693 1.00 0.00 N ATOM 586 CA ALA A 40 -7.839 2.421 4.270 1.00 0.00 C ATOM 587 C ALA A 40 -8.474 2.104 5.625 1.00 0.00 C ATOM 588 O ALA A 40 -8.243 2.811 6.604 1.00 0.00 O ATOM 589 CB ALA A 40 -8.833 3.053 3.293 1.00 0.00 C ATOM 0 H ALA A 40 -7.442 1.107 2.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.044 3.147 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.236 3.969 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.325 3.287 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.647 2.354 3.099 1.00 0.00 H new ATOM 595 N GLU A 41 -9.263 1.039 5.637 1.00 0.00 N ATOM 596 CA GLU A 41 -9.934 0.619 6.856 1.00 0.00 C ATOM 597 C GLU A 41 -8.920 0.055 7.853 1.00 0.00 C ATOM 598 O GLU A 41 -9.023 0.299 9.054 1.00 0.00 O ATOM 599 CB GLU A 41 -11.032 -0.402 6.553 1.00 0.00 C ATOM 600 CG GLU A 41 -11.798 -0.025 5.283 1.00 0.00 C ATOM 601 CD GLU A 41 -13.298 0.085 5.561 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.723 1.193 5.955 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.987 -0.941 5.372 1.00 0.00 O ATOM 0 H GLU A 41 -9.452 0.455 4.823 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.409 1.491 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.590 -1.392 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.722 -0.459 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.425 0.924 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.621 -0.774 4.511 1.00 0.00 H new ATOM 610 N LYS A 42 -7.963 -0.689 7.317 1.00 0.00 N ATOM 611 CA LYS A 42 -6.931 -1.290 8.145 1.00 0.00 C ATOM 612 C LYS A 42 -6.117 -0.184 8.820 1.00 0.00 C ATOM 613 O LYS A 42 -5.452 -0.424 9.827 1.00 0.00 O ATOM 614 CB LYS A 42 -6.084 -2.263 7.323 1.00 0.00 C ATOM 615 CG LYS A 42 -6.355 -3.711 7.736 1.00 0.00 C ATOM 616 CD LYS A 42 -7.837 -4.057 7.579 1.00 0.00 C ATOM 617 CE LYS A 42 -8.220 -4.172 6.102 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.630 -3.771 5.899 1.00 0.00 N ATOM 0 H LYS A 42 -7.881 -0.889 6.320 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.379 -1.887 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.304 -2.136 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.027 -2.034 7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.754 -4.386 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.051 -3.861 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.051 -4.997 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.446 -3.290 8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.566 -3.541 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.075 -5.197 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.189 -4.600 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.013 -3.387 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.681 -3.044 5.157 1.00 0.00 H new ATOM 632 N ILE A 43 -6.195 1.004 8.238 1.00 0.00 N ATOM 633 CA ILE A 43 -5.474 2.147 8.771 1.00 0.00 C ATOM 634 C ILE A 43 -6.471 3.248 9.139 1.00 0.00 C ATOM 635 O ILE A 43 -6.074 4.350 9.512 1.00 0.00 O ATOM 636 CB ILE A 43 -4.391 2.601 7.791 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.918 3.695 6.859 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.820 1.413 7.014 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.857 4.100 5.834 1.00 0.00 C ATOM 0 H ILE A 43 -6.747 1.199 7.403 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.949 1.873 9.686 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.572 3.034 8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.810 3.340 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.214 4.565 7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.052 1.764 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.382 0.699 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.618 0.928 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.257 4.878 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.976 4.478 6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.581 3.233 5.234 1.00 0.00 H new ATOM 651 N GLN A 44 -7.747 2.910 9.021 1.00 0.00 N ATOM 652 CA GLN A 44 -8.804 3.855 9.336 1.00 0.00 C ATOM 653 C GLN A 44 -8.555 5.186 8.624 1.00 0.00 C ATOM 654 O GLN A 44 -8.365 6.215 9.271 1.00 0.00 O ATOM 655 CB GLN A 44 -8.926 4.057 10.848 1.00 0.00 C ATOM 656 CG GLN A 44 -8.778 2.728 11.592 1.00 0.00 C ATOM 657 CD GLN A 44 -9.137 2.885 13.071 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.006 3.946 13.659 1.00 0.00 O ATOM 659 NE2 GLN A 44 -9.596 1.773 13.637 1.00 0.00 N ATOM 0 H GLN A 44 -8.072 1.994 8.711 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.749 3.445 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.161 4.755 11.188 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.892 4.503 11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.423 1.978 11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.754 2.367 11.499 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.681 0.918 13.087 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.863 1.775 14.621 1.00 0.00 H new ATOM 668 N TYR A 45 -8.563 5.124 7.300 1.00 0.00 N ATOM 669 CA TYR A 45 -8.341 6.311 6.493 1.00 0.00 C ATOM 670 C TYR A 45 -9.337 6.380 5.334 1.00 0.00 C ATOM 671 O TYR A 45 -10.375 5.722 5.363 1.00 0.00 O ATOM 672 CB TYR A 45 -6.926 6.178 5.927 1.00 0.00 C ATOM 673 CG TYR A 45 -5.949 7.237 6.439 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.410 7.126 7.705 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.605 8.305 5.635 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.490 8.123 8.186 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.685 9.303 6.117 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.173 9.162 7.369 1.00 0.00 C ATOM 679 OH TYR A 45 -3.304 10.105 7.824 1.00 0.00 O ATOM 0 H TYR A 45 -8.720 4.269 6.766 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.468 7.212 7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.538 5.190 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.974 6.238 4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.679 6.291 8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.026 8.392 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.061 8.047 9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.408 10.144 5.498 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.384 9.807 7.663 1.00 0.00 H new ATOM 689 N ALA A 46 -8.985 7.184 4.341 1.00 0.00 N ATOM 690 CA ALA A 46 -9.835 7.348 3.174 1.00 0.00 C ATOM 691 C ALA A 46 -9.096 6.839 1.935 1.00 0.00 C ATOM 692 O ALA A 46 -8.186 7.499 1.436 1.00 0.00 O ATOM 693 CB ALA A 46 -10.248 8.816 3.045 1.00 0.00 C ATOM 0 H ALA A 46 -8.123 7.729 4.321 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.747 6.761 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.886 8.939 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.795 9.120 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.358 9.436 2.936 1.00 0.00 H new ATOM 699 N GLU A 47 -9.515 5.670 1.473 1.00 0.00 N ATOM 700 CA GLU A 47 -8.904 5.065 0.302 1.00 0.00 C ATOM 701 C GLU A 47 -8.699 6.115 -0.792 1.00 0.00 C ATOM 702 O GLU A 47 -7.623 6.202 -1.380 1.00 0.00 O ATOM 703 CB GLU A 47 -9.745 3.895 -0.212 1.00 0.00 C ATOM 704 CG GLU A 47 -11.210 4.304 -0.379 1.00 0.00 C ATOM 705 CD GLU A 47 -12.070 3.107 -0.790 1.00 0.00 C ATOM 706 OE1 GLU A 47 -12.154 2.861 -2.013 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.624 2.464 0.128 1.00 0.00 O ATOM 0 H GLU A 47 -10.271 5.126 1.889 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.929 4.671 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.349 3.550 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.674 3.059 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.584 4.721 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.289 5.088 -1.132 1.00 0.00 H new ATOM 714 N GLU A 48 -9.750 6.887 -1.031 1.00 0.00 N ATOM 715 CA GLU A 48 -9.698 7.928 -2.044 1.00 0.00 C ATOM 716 C GLU A 48 -8.553 8.899 -1.749 1.00 0.00 C ATOM 717 O GLU A 48 -8.014 9.524 -2.662 1.00 0.00 O ATOM 718 CB GLU A 48 -11.034 8.668 -2.137 1.00 0.00 C ATOM 719 CG GLU A 48 -11.295 9.490 -0.873 1.00 0.00 C ATOM 720 CD GLU A 48 -12.779 9.843 -0.746 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.596 8.902 -0.837 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.061 11.046 -0.560 1.00 0.00 O ATOM 0 H GLU A 48 -10.641 6.812 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.511 7.459 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.031 9.324 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.842 7.951 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.975 8.927 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.701 10.404 -0.900 1.00 0.00 H new ATOM 729 N ASP A 49 -8.214 8.995 -0.472 1.00 0.00 N ATOM 730 CA ASP A 49 -7.143 9.879 -0.046 1.00 0.00 C ATOM 731 C ASP A 49 -5.823 9.105 -0.034 1.00 0.00 C ATOM 732 O ASP A 49 -4.765 9.679 0.218 1.00 0.00 O ATOM 733 CB ASP A 49 -7.394 10.408 1.367 1.00 0.00 C ATOM 734 CG ASP A 49 -8.701 11.182 1.545 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.310 11.514 0.505 1.00 0.00 O ATOM 736 OD2 ASP A 49 -9.062 11.426 2.717 1.00 0.00 O ATOM 0 H ASP A 49 -8.663 8.475 0.282 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.101 10.717 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.391 9.566 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.564 11.056 1.649 1.00 0.00 H new ATOM 741 N LEU A 50 -5.929 7.813 -0.308 1.00 0.00 N ATOM 742 CA LEU A 50 -4.758 6.954 -0.331 1.00 0.00 C ATOM 743 C LEU A 50 -4.424 6.593 -1.780 1.00 0.00 C ATOM 744 O LEU A 50 -5.218 6.845 -2.685 1.00 0.00 O ATOM 745 CB LEU A 50 -4.967 5.737 0.572 1.00 0.00 C ATOM 746 CG LEU A 50 -5.261 6.037 2.044 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.426 4.744 2.845 1.00 0.00 C ATOM 748 CD2 LEU A 50 -4.188 6.949 2.642 1.00 0.00 C ATOM 0 H LEU A 50 -6.809 7.340 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.894 7.479 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.792 5.148 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.075 5.113 0.520 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.208 6.574 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.634 4.986 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.253 4.165 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.508 4.159 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.420 7.147 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.216 6.461 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.162 7.890 2.092 1.00 0.00 H new ATOM 760 N ALA A 51 -3.247 6.009 -1.955 1.00 0.00 N ATOM 761 CA ALA A 51 -2.799 5.611 -3.279 1.00 0.00 C ATOM 762 C ALA A 51 -1.822 4.441 -3.151 1.00 0.00 C ATOM 763 O ALA A 51 -0.949 4.448 -2.284 1.00 0.00 O ATOM 764 CB ALA A 51 -2.177 6.815 -3.991 1.00 0.00 C ATOM 0 H ALA A 51 -2.590 5.802 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.641 5.273 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.841 6.517 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.920 7.607 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.327 7.179 -3.414 1.00 0.00 H new ATOM 770 N LEU A 52 -2.001 3.464 -4.028 1.00 0.00 N ATOM 771 CA LEU A 52 -1.146 2.289 -4.024 1.00 0.00 C ATOM 772 C LEU A 52 0.146 2.601 -4.782 1.00 0.00 C ATOM 773 O LEU A 52 0.127 2.785 -5.998 1.00 0.00 O ATOM 774 CB LEU A 52 -1.901 1.075 -4.569 1.00 0.00 C ATOM 775 CG LEU A 52 -3.102 0.607 -3.745 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.952 1.012 -2.278 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.412 1.115 -4.350 1.00 0.00 C ATOM 0 H LEU A 52 -2.725 3.462 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.863 2.028 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.246 1.309 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.200 0.245 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.134 -0.482 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.819 0.667 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.049 0.561 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.881 2.097 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.250 0.769 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.405 2.205 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.515 0.734 -5.366 1.00 0.00 H new ATOM 789 N VAL A 53 1.237 2.652 -4.032 1.00 0.00 N ATOM 790 CA VAL A 53 2.536 2.939 -4.618 1.00 0.00 C ATOM 791 C VAL A 53 3.445 1.719 -4.454 1.00 0.00 C ATOM 792 O VAL A 53 3.545 1.157 -3.365 1.00 0.00 O ATOM 793 CB VAL A 53 3.121 4.208 -3.997 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.480 4.545 -4.615 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.150 5.383 -4.134 1.00 0.00 C ATOM 0 H VAL A 53 1.248 2.499 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 53 2.439 3.131 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 53 3.274 4.021 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.874 5.452 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.172 3.721 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.363 4.703 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.590 6.273 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.952 5.570 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.216 5.144 -3.626 1.00 0.00 H new ATOM 805 N ALA A 54 4.085 1.346 -5.553 1.00 0.00 N ATOM 806 CA ALA A 54 4.982 0.203 -5.545 1.00 0.00 C ATOM 807 C ALA A 54 6.430 0.698 -5.575 1.00 0.00 C ATOM 808 O ALA A 54 6.700 1.811 -6.023 1.00 0.00 O ATOM 809 CB ALA A 54 4.654 -0.713 -6.726 1.00 0.00 C ATOM 0 H ALA A 54 4.000 1.815 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 54 4.851 -0.381 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.327 -1.570 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.624 -1.060 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.777 -0.162 -7.659 1.00 0.00 H new ATOM 815 N ILE A 55 7.323 -0.155 -5.093 1.00 0.00 N ATOM 816 CA ILE A 55 8.736 0.182 -5.059 1.00 0.00 C ATOM 817 C ILE A 55 9.536 -0.927 -5.746 1.00 0.00 C ATOM 818 O ILE A 55 9.067 -2.059 -5.855 1.00 0.00 O ATOM 819 CB ILE A 55 9.185 0.466 -3.625 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.177 1.361 -2.902 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.597 1.055 -3.599 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.826 2.066 -1.709 1.00 0.00 C ATOM 0 H ILE A 55 7.095 -1.078 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 55 8.922 1.101 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 55 9.221 -0.480 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.781 2.103 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.333 0.762 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.892 1.248 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.294 0.349 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.612 1.989 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.088 2.696 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.199 1.322 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.654 2.683 -2.058 1.00 0.00 H new ATOM 834 N THR A 56 10.729 -0.563 -6.191 1.00 0.00 N ATOM 835 CA THR A 56 11.599 -1.513 -6.865 1.00 0.00 C ATOM 836 C THR A 56 12.771 -1.897 -5.960 1.00 0.00 C ATOM 837 O THR A 56 12.991 -1.271 -4.923 1.00 0.00 O ATOM 838 CB THR A 56 12.034 -0.895 -8.195 1.00 0.00 C ATOM 839 OG1 THR A 56 12.890 -1.878 -8.770 1.00 0.00 O ATOM 840 CG2 THR A 56 12.940 0.323 -8.005 1.00 0.00 C ATOM 0 H THR A 56 11.114 0.377 -6.098 1.00 0.00 H new ATOM 0 HA THR A 56 11.076 -2.445 -7.080 1.00 0.00 H new ATOM 0 HB THR A 56 11.153 -0.606 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.217 -1.560 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.220 0.724 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.408 1.087 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.838 0.027 -7.462 1.00 0.00 H new ATOM 848 N PHE A 57 13.494 -2.923 -6.384 1.00 0.00 N ATOM 849 CA PHE A 57 14.638 -3.397 -5.625 1.00 0.00 C ATOM 850 C PHE A 57 15.522 -2.230 -5.179 1.00 0.00 C ATOM 851 O PHE A 57 15.752 -2.043 -3.985 1.00 0.00 O ATOM 852 CB PHE A 57 15.446 -4.306 -6.555 1.00 0.00 C ATOM 853 CG PHE A 57 15.259 -5.799 -6.281 1.00 0.00 C ATOM 854 CD1 PHE A 57 14.010 -6.339 -6.277 1.00 0.00 C ATOM 855 CD2 PHE A 57 16.341 -6.588 -6.042 1.00 0.00 C ATOM 856 CE1 PHE A 57 13.836 -7.725 -6.023 1.00 0.00 C ATOM 857 CE2 PHE A 57 16.167 -7.974 -5.789 1.00 0.00 C ATOM 858 CZ PHE A 57 14.919 -8.514 -5.784 1.00 0.00 C ATOM 0 H PHE A 57 13.309 -3.439 -7.244 1.00 0.00 H new ATOM 0 HA PHE A 57 14.300 -3.924 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.162 -4.098 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.503 -4.059 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.151 -5.713 -6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.333 -6.160 -6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.844 -8.153 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.027 -8.600 -5.600 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.787 -9.568 -5.590 1.00 0.00 H new ATOM 868 N SER A 58 15.993 -1.477 -6.161 1.00 0.00 N ATOM 869 CA SER A 58 16.846 -0.333 -5.884 1.00 0.00 C ATOM 870 C SER A 58 16.276 0.473 -4.715 1.00 0.00 C ATOM 871 O SER A 58 16.892 0.554 -3.654 1.00 0.00 O ATOM 872 CB SER A 58 16.994 0.556 -7.120 1.00 0.00 C ATOM 873 OG SER A 58 17.729 -0.090 -8.157 1.00 0.00 O ATOM 0 H SER A 58 15.801 -1.636 -7.150 1.00 0.00 H new ATOM 0 HA SER A 58 17.836 -0.701 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.006 0.828 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.497 1.482 -6.842 1.00 0.00 H new ATOM 0 HG SER A 58 17.800 0.509 -8.929 1.00 0.00 H new ATOM 879 N GLY A 59 15.107 1.050 -4.950 1.00 0.00 N ATOM 880 CA GLY A 59 14.448 1.848 -3.930 1.00 0.00 C ATOM 881 C GLY A 59 13.847 3.120 -4.532 1.00 0.00 C ATOM 882 O GLY A 59 14.382 4.212 -4.346 1.00 0.00 O ATOM 0 H GLY A 59 14.599 0.981 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.663 1.260 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.164 2.113 -3.152 1.00 0.00 H new ATOM 886 N GLU A 60 12.742 2.936 -5.241 1.00 0.00 N ATOM 887 CA GLU A 60 12.063 4.055 -5.871 1.00 0.00 C ATOM 888 C GLU A 60 10.550 3.828 -5.866 1.00 0.00 C ATOM 889 O GLU A 60 10.068 2.818 -6.377 1.00 0.00 O ATOM 890 CB GLU A 60 12.579 4.279 -7.294 1.00 0.00 C ATOM 891 CG GLU A 60 13.963 4.930 -7.280 1.00 0.00 C ATOM 892 CD GLU A 60 14.337 5.454 -8.668 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.500 6.181 -9.244 1.00 0.00 O ATOM 894 OE2 GLU A 60 15.452 5.114 -9.121 1.00 0.00 O ATOM 0 H GLU A 60 12.301 2.029 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 60 12.278 4.956 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.627 3.326 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.881 4.912 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.976 5.750 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.706 4.205 -6.949 1.00 0.00 H new ATOM 901 N LYS A 61 9.842 4.785 -5.283 1.00 0.00 N ATOM 902 CA LYS A 61 8.394 4.702 -5.204 1.00 0.00 C ATOM 903 C LYS A 61 7.799 4.910 -6.598 1.00 0.00 C ATOM 904 O LYS A 61 8.291 5.730 -7.371 1.00 0.00 O ATOM 905 CB LYS A 61 7.858 5.679 -4.155 1.00 0.00 C ATOM 906 CG LYS A 61 7.858 5.043 -2.763 1.00 0.00 C ATOM 907 CD LYS A 61 8.122 6.093 -1.682 1.00 0.00 C ATOM 908 CE LYS A 61 9.547 5.973 -1.137 1.00 0.00 C ATOM 909 NZ LYS A 61 9.843 7.086 -0.208 1.00 0.00 N ATOM 0 H LYS A 61 10.245 5.622 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 61 8.087 3.711 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.470 6.581 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.845 5.983 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.898 4.560 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.620 4.266 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.969 7.091 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.406 5.971 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.666 5.020 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.260 5.981 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.855 7.077 0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.603 7.990 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.280 6.974 0.659 1.00 0.00 H new ATOM 923 N HIS A 62 6.749 4.151 -6.878 1.00 0.00 N ATOM 924 CA HIS A 62 6.082 4.242 -8.165 1.00 0.00 C ATOM 925 C HIS A 62 4.567 4.170 -7.965 1.00 0.00 C ATOM 926 O HIS A 62 4.037 3.131 -7.575 1.00 0.00 O ATOM 927 CB HIS A 62 6.604 3.170 -9.124 1.00 0.00 C ATOM 928 CG HIS A 62 7.164 3.719 -10.414 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.273 4.547 -10.458 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.758 3.551 -11.705 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.513 4.857 -11.723 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.573 4.240 -12.495 1.00 0.00 N ATOM 0 H HIS A 62 6.344 3.470 -6.235 1.00 0.00 H new ATOM 0 HA HIS A 62 6.307 5.203 -8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.379 2.593 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.793 2.480 -9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.916 2.958 -12.030 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.313 5.488 -12.081 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.507 4.298 -13.511 1.00 0.00 H new ATOM 940 N GLU A 63 3.913 5.289 -8.240 1.00 0.00 N ATOM 941 CA GLU A 63 2.469 5.366 -8.094 1.00 0.00 C ATOM 942 C GLU A 63 1.779 4.776 -9.326 1.00 0.00 C ATOM 943 O GLU A 63 2.142 5.094 -10.457 1.00 0.00 O ATOM 944 CB GLU A 63 2.019 6.809 -7.852 1.00 0.00 C ATOM 945 CG GLU A 63 0.689 6.849 -7.097 1.00 0.00 C ATOM 946 CD GLU A 63 -0.352 7.669 -7.862 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.045 8.845 -8.153 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.430 7.100 -8.139 1.00 0.00 O ATOM 0 H GLU A 63 4.356 6.149 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 63 2.179 4.778 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.781 7.341 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.916 7.326 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.320 5.834 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.841 7.280 -6.108 1.00 0.00 H new ATOM 955 N LEU A 64 0.796 3.927 -9.064 1.00 0.00 N ATOM 956 CA LEU A 64 0.052 3.289 -10.136 1.00 0.00 C ATOM 957 C LEU A 64 -1.399 3.771 -10.101 1.00 0.00 C ATOM 958 O LEU A 64 -1.695 4.822 -9.535 1.00 0.00 O ATOM 959 CB LEU A 64 0.198 1.768 -10.059 1.00 0.00 C ATOM 960 CG LEU A 64 1.436 1.249 -9.324 1.00 0.00 C ATOM 961 CD1 LEU A 64 1.117 0.951 -7.858 1.00 0.00 C ATOM 962 CD2 LEU A 64 2.029 0.035 -10.040 1.00 0.00 C ATOM 0 H LEU A 64 0.498 3.666 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 64 0.460 3.576 -11.105 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.687 1.362 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.210 1.372 -11.075 1.00 0.00 H new ATOM 0 HG LEU A 64 2.195 2.032 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.013 0.584 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.776 1.862 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.335 0.194 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.907 -0.314 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.287 -0.762 -10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.316 0.315 -11.054 1.00 0.00 H new ATOM 974 N GLN A 65 -2.268 2.978 -10.711 1.00 0.00 N ATOM 975 CA GLN A 65 -3.681 3.310 -10.756 1.00 0.00 C ATOM 976 C GLN A 65 -4.467 2.418 -9.793 1.00 0.00 C ATOM 977 O GLN A 65 -3.966 1.387 -9.348 1.00 0.00 O ATOM 978 CB GLN A 65 -4.227 3.192 -12.181 1.00 0.00 C ATOM 979 CG GLN A 65 -4.012 4.491 -12.960 1.00 0.00 C ATOM 980 CD GLN A 65 -5.341 5.055 -13.465 1.00 0.00 C ATOM 981 OE1 GLN A 65 -5.919 4.582 -14.430 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.793 6.090 -12.761 1.00 0.00 N ATOM 0 H GLN A 65 -2.020 2.106 -11.178 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.801 4.346 -10.440 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.733 2.369 -12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.290 2.955 -12.148 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.521 5.225 -12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.347 4.307 -13.804 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.259 6.436 -11.964 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.673 6.537 -13.019 1.00 0.00 H new ATOM 991 N PRO A 66 -5.718 2.859 -9.492 1.00 0.00 N ATOM 992 CA PRO A 66 -6.577 2.113 -8.589 1.00 0.00 C ATOM 993 C PRO A 66 -7.144 0.868 -9.276 1.00 0.00 C ATOM 994 O PRO A 66 -7.850 0.078 -8.652 1.00 0.00 O ATOM 995 CB PRO A 66 -7.653 3.099 -8.165 1.00 0.00 C ATOM 996 CG PRO A 66 -7.627 4.214 -9.198 1.00 0.00 C ATOM 997 CD PRO A 66 -6.344 4.076 -10.000 1.00 0.00 C ATOM 0 HA PRO A 66 -6.042 1.730 -7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.631 2.619 -8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.455 3.487 -7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.496 4.148 -9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.669 5.188 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.551 3.999 -11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.696 4.942 -9.862 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.814 0.733 -10.552 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.281 -0.401 -11.330 1.00 0.00 C ATOM 1007 C ASN A 67 -6.090 -1.291 -11.691 1.00 0.00 C ATOM 1008 O ASN A 67 -6.246 -2.285 -12.400 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.941 0.058 -12.632 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.361 1.394 -13.098 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.254 1.477 -13.605 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -8.168 2.433 -12.900 1.00 0.00 N ATOM 0 H ASN A 67 -6.228 1.391 -11.066 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.010 -0.945 -10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.793 -0.696 -13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.016 0.156 -12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.872 3.369 -13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.082 2.294 -12.470 1.00 0.00 H new ATOM 1019 N ASP A 68 -4.928 -0.903 -11.188 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.711 -1.654 -11.449 1.00 0.00 C ATOM 1021 C ASP A 68 -3.691 -2.906 -10.570 1.00 0.00 C ATOM 1022 O ASP A 68 -3.571 -2.809 -9.349 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.470 -0.823 -11.117 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.161 -1.353 -11.705 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -0.570 -2.246 -11.060 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.781 -0.855 -12.786 1.00 0.00 O ATOM 0 H ASP A 68 -4.803 -0.078 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.697 -1.917 -12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.626 0.195 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.368 -0.767 -10.033 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.809 -4.051 -11.224 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.806 -5.321 -10.517 1.00 0.00 C ATOM 1033 C LEU A 69 -2.639 -5.346 -9.528 1.00 0.00 C ATOM 1034 O LEU A 69 -1.508 -5.026 -9.890 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.797 -6.486 -11.509 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.860 -7.564 -11.286 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.819 -8.085 -9.848 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.249 -7.053 -11.671 1.00 0.00 C ATOM 0 H LEU A 69 -3.907 -4.127 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.720 -5.436 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.922 -6.083 -12.514 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.815 -6.959 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.635 -8.406 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.584 -8.850 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.838 -8.514 -9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.005 -7.262 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.985 -7.839 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.499 -6.185 -11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.254 -6.771 -12.724 1.00 0.00 H new ATOM 1050 N VAL A 70 -2.954 -5.730 -8.300 1.00 0.00 N ATOM 1051 CA VAL A 70 -1.945 -5.801 -7.256 1.00 0.00 C ATOM 1052 C VAL A 70 -1.385 -7.223 -7.191 1.00 0.00 C ATOM 1053 O VAL A 70 -0.887 -7.650 -6.150 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.535 -5.328 -5.926 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.658 -3.803 -5.891 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -3.886 -5.994 -5.658 1.00 0.00 C ATOM 0 H VAL A 70 -3.893 -5.995 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.113 -5.134 -7.482 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.851 -5.626 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.080 -3.494 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.672 -3.356 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.310 -3.472 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.284 -5.641 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.581 -5.741 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.757 -7.076 -5.618 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.485 -7.917 -8.315 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.994 -9.282 -8.398 1.00 0.00 C ATOM 1068 C ILE A 71 -0.129 -9.433 -9.650 1.00 0.00 C ATOM 1069 O ILE A 71 1.096 -9.506 -9.558 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.157 -10.274 -8.331 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -3.116 -9.919 -7.193 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -1.646 -11.712 -8.223 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -2.521 -10.301 -5.836 1.00 0.00 C ATOM 0 H ILE A 71 -1.899 -7.560 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.359 -9.511 -7.542 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.721 -10.202 -9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.330 -8.850 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.064 -10.436 -7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.493 -12.397 -8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.036 -11.948 -9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.045 -11.818 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.222 -10.038 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.331 -11.374 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.585 -9.763 -5.685 1.00 0.00 H new ATOM 1085 N SER A 72 -0.799 -9.475 -10.793 1.00 0.00 N ATOM 1086 CA SER A 72 -0.106 -9.616 -12.062 1.00 0.00 C ATOM 1087 C SER A 72 0.990 -8.554 -12.181 1.00 0.00 C ATOM 1088 O SER A 72 1.002 -7.582 -11.427 1.00 0.00 O ATOM 1089 CB SER A 72 -1.080 -9.507 -13.237 1.00 0.00 C ATOM 1090 OG SER A 72 -0.560 -10.109 -14.419 1.00 0.00 O ATOM 0 H SER A 72 -1.815 -9.414 -10.866 1.00 0.00 H new ATOM 0 HA SER A 72 0.350 -10.605 -12.094 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.023 -9.985 -12.972 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.298 -8.457 -13.431 1.00 0.00 H new ATOM 0 HG SER A 72 -1.212 -10.020 -15.145 1.00 0.00 H new ATOM 1096 N LYS A 73 1.883 -8.775 -13.134 1.00 0.00 N ATOM 1097 CA LYS A 73 2.980 -7.849 -13.361 1.00 0.00 C ATOM 1098 C LYS A 73 3.418 -7.934 -14.824 1.00 0.00 C ATOM 1099 O LYS A 73 4.402 -8.601 -15.144 1.00 0.00 O ATOM 1100 CB LYS A 73 4.112 -8.105 -12.364 1.00 0.00 C ATOM 1101 CG LYS A 73 4.521 -9.579 -12.365 1.00 0.00 C ATOM 1102 CD LYS A 73 5.998 -9.739 -12.001 1.00 0.00 C ATOM 1103 CE LYS A 73 6.898 -9.187 -13.109 1.00 0.00 C ATOM 1104 NZ LYS A 73 7.381 -10.284 -13.979 1.00 0.00 N ATOM 0 H LYS A 73 1.870 -9.582 -13.758 1.00 0.00 H new ATOM 0 HA LYS A 73 2.656 -6.823 -13.184 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.972 -7.485 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.793 -7.813 -11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.906 -10.131 -11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.337 -10.010 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.205 -9.218 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.223 -10.792 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.347 -8.459 -13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.747 -8.663 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.990 -9.892 -14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.924 -10.965 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.568 -10.766 -14.413 1.00 0.00 H new ATOM 1118 N SER A 74 2.667 -7.250 -15.675 1.00 0.00 N ATOM 1119 CA SER A 74 2.966 -7.240 -17.097 1.00 0.00 C ATOM 1120 C SER A 74 4.462 -7.005 -17.315 1.00 0.00 C ATOM 1121 O SER A 74 5.153 -7.858 -17.870 1.00 0.00 O ATOM 1122 CB SER A 74 2.149 -6.169 -17.823 1.00 0.00 C ATOM 1123 OG SER A 74 2.217 -4.907 -17.164 1.00 0.00 O ATOM 0 H SER A 74 1.852 -6.699 -15.407 1.00 0.00 H new ATOM 0 HA SER A 74 2.693 -8.210 -17.512 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.515 -6.065 -18.845 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.109 -6.488 -17.888 1.00 0.00 H new ATOM 0 HG SER A 74 1.684 -4.250 -17.659 1.00 0.00 H new ATOM 1129 N LEU A 75 4.919 -5.845 -16.867 1.00 0.00 N ATOM 1130 CA LEU A 75 6.320 -5.488 -17.007 1.00 0.00 C ATOM 1131 C LEU A 75 6.616 -4.257 -16.149 1.00 0.00 C ATOM 1132 O LEU A 75 7.149 -3.264 -16.643 1.00 0.00 O ATOM 1133 CB LEU A 75 6.683 -5.310 -18.483 1.00 0.00 C ATOM 1134 CG LEU A 75 6.012 -4.138 -19.202 1.00 0.00 C ATOM 1135 CD1 LEU A 75 7.001 -3.421 -20.123 1.00 0.00 C ATOM 1136 CD2 LEU A 75 4.761 -4.600 -19.953 1.00 0.00 C ATOM 0 H LEU A 75 4.343 -5.140 -16.407 1.00 0.00 H new ATOM 0 HA LEU A 75 6.957 -6.293 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.763 -5.186 -18.559 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.429 -6.228 -19.012 1.00 0.00 H new ATOM 0 HG LEU A 75 5.690 -3.416 -18.452 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.499 -2.592 -20.622 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.835 -3.038 -19.534 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.375 -4.121 -20.870 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.303 -3.748 -20.455 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.037 -5.352 -20.692 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.051 -5.030 -19.247 1.00 0.00 H new ATOM 1148 N GLU A 76 6.258 -4.361 -14.877 1.00 0.00 N ATOM 1149 CA GLU A 76 6.479 -3.269 -13.945 1.00 0.00 C ATOM 1150 C GLU A 76 7.291 -3.753 -12.742 1.00 0.00 C ATOM 1151 O GLU A 76 8.229 -3.084 -12.312 1.00 0.00 O ATOM 1152 CB GLU A 76 5.152 -2.653 -13.498 1.00 0.00 C ATOM 1153 CG GLU A 76 4.307 -3.669 -12.728 1.00 0.00 C ATOM 1154 CD GLU A 76 2.841 -3.235 -12.673 1.00 0.00 C ATOM 1155 OE1 GLU A 76 2.193 -3.290 -13.741 1.00 0.00 O ATOM 1156 OE2 GLU A 76 2.401 -2.858 -11.565 1.00 0.00 O ATOM 0 H GLU A 76 5.816 -5.186 -14.470 1.00 0.00 H new ATOM 0 HA GLU A 76 7.049 -2.493 -14.455 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.344 -1.784 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.599 -2.301 -14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.383 -4.646 -13.205 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.696 -3.778 -11.716 1.00 0.00 H new ATOM 1163 N ALA A 77 6.901 -4.913 -12.234 1.00 0.00 N ATOM 1164 CA ALA A 77 7.581 -5.495 -11.089 1.00 0.00 C ATOM 1165 C ALA A 77 7.493 -4.531 -9.905 1.00 0.00 C ATOM 1166 O ALA A 77 6.818 -3.506 -9.983 1.00 0.00 O ATOM 1167 CB ALA A 77 9.027 -5.824 -11.467 1.00 0.00 C ATOM 0 H ALA A 77 6.123 -5.465 -12.594 1.00 0.00 H new ATOM 0 HA ALA A 77 7.102 -6.427 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.537 -6.260 -10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.034 -6.535 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.541 -4.911 -11.769 1.00 0.00 H new ATOM 1173 N SER A 78 8.186 -4.893 -8.835 1.00 0.00 N ATOM 1174 CA SER A 78 8.195 -4.072 -7.636 1.00 0.00 C ATOM 1175 C SER A 78 8.709 -4.887 -6.448 1.00 0.00 C ATOM 1176 O SER A 78 9.816 -4.654 -5.963 1.00 0.00 O ATOM 1177 CB SER A 78 6.799 -3.521 -7.336 1.00 0.00 C ATOM 1178 OG SER A 78 6.461 -3.644 -5.957 1.00 0.00 O ATOM 0 H SER A 78 8.745 -5.744 -8.773 1.00 0.00 H new ATOM 0 HA SER A 78 8.862 -3.227 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.753 -2.472 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.062 -4.052 -7.939 1.00 0.00 H new ATOM 0 HG SER A 78 5.488 -3.588 -5.852 1.00 0.00 H new ATOM 1184 N GLY A 79 7.883 -5.827 -6.013 1.00 0.00 N ATOM 1185 CA GLY A 79 8.241 -6.678 -4.891 1.00 0.00 C ATOM 1186 C GLY A 79 7.232 -6.534 -3.750 1.00 0.00 C ATOM 1187 O GLY A 79 6.833 -7.525 -3.140 1.00 0.00 O ATOM 0 H GLY A 79 6.966 -6.018 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.281 -7.717 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.238 -6.417 -4.535 1.00 0.00 H new ATOM 1191 N ARG A 80 6.848 -5.291 -3.495 1.00 0.00 N ATOM 1192 CA ARG A 80 5.893 -5.005 -2.438 1.00 0.00 C ATOM 1193 C ARG A 80 5.213 -3.657 -2.688 1.00 0.00 C ATOM 1194 O ARG A 80 5.865 -2.693 -3.088 1.00 0.00 O ATOM 1195 CB ARG A 80 6.577 -4.977 -1.070 1.00 0.00 C ATOM 1196 CG ARG A 80 6.611 -6.373 -0.446 1.00 0.00 C ATOM 1197 CD ARG A 80 5.203 -6.967 -0.355 1.00 0.00 C ATOM 1198 NE ARG A 80 5.062 -8.083 -1.317 1.00 0.00 N ATOM 1199 CZ ARG A 80 3.886 -8.562 -1.744 1.00 0.00 C ATOM 1200 NH1 ARG A 80 2.742 -8.026 -1.298 1.00 0.00 N ATOM 1201 NH2 ARG A 80 3.854 -9.578 -2.618 1.00 0.00 N ATOM 0 H ARG A 80 7.181 -4.471 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 80 5.147 -5.799 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.593 -4.597 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.047 -4.292 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.248 -7.027 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.052 -6.320 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.014 -7.323 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.460 -6.198 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 80 5.913 -8.514 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.766 -7.253 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.847 -8.391 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.725 -9.986 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.959 -9.943 -2.943 1.00 0.00 H new ATOM 1215 N ILE A 81 3.912 -3.632 -2.442 1.00 0.00 N ATOM 1216 CA ILE A 81 3.137 -2.418 -2.635 1.00 0.00 C ATOM 1217 C ILE A 81 3.188 -1.576 -1.358 1.00 0.00 C ATOM 1218 O ILE A 81 3.475 -2.095 -0.280 1.00 0.00 O ATOM 1219 CB ILE A 81 1.716 -2.756 -3.091 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.737 -3.656 -4.329 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.897 -1.485 -3.321 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.535 -3.009 -5.463 1.00 0.00 C ATOM 0 H ILE A 81 3.374 -4.433 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 81 3.569 -1.814 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 81 1.226 -3.315 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.176 -4.621 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.717 -3.848 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.109 -1.754 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.840 -0.916 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.375 -0.878 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.534 -3.669 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.079 -2.056 -5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.561 -2.841 -5.136 1.00 0.00 H new ATOM 1234 N TYR A 82 2.907 -0.292 -1.522 1.00 0.00 N ATOM 1235 CA TYR A 82 2.918 0.626 -0.396 1.00 0.00 C ATOM 1236 C TYR A 82 1.773 1.635 -0.501 1.00 0.00 C ATOM 1237 O TYR A 82 1.437 2.087 -1.594 1.00 0.00 O ATOM 1238 CB TYR A 82 4.250 1.375 -0.475 1.00 0.00 C ATOM 1239 CG TYR A 82 5.474 0.496 -0.213 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.877 -0.426 -1.158 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.176 0.624 0.969 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.030 -1.254 -0.911 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.328 -0.203 1.216 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.698 -1.101 0.264 1.00 0.00 C ATOM 1245 OH TYR A 82 8.787 -1.883 0.497 1.00 0.00 O ATOM 0 H TYR A 82 2.670 0.135 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 82 2.798 0.084 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.344 1.826 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.240 2.191 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.328 -0.527 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.861 1.345 1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.356 -1.979 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.886 -0.112 2.136 1.00 0.00 H new ATOM 0 HH TYR A 82 8.610 -2.472 1.260 1.00 0.00 H new ATOM 1255 N VAL A 83 1.205 1.959 0.652 1.00 0.00 N ATOM 1256 CA VAL A 83 0.104 2.906 0.704 1.00 0.00 C ATOM 1257 C VAL A 83 0.578 4.196 1.377 1.00 0.00 C ATOM 1258 O VAL A 83 1.497 4.172 2.194 1.00 0.00 O ATOM 1259 CB VAL A 83 -1.099 2.272 1.406 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.696 1.683 2.760 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.236 3.284 1.565 1.00 0.00 C ATOM 0 H VAL A 83 1.487 1.582 1.557 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.224 3.166 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.461 1.456 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.569 1.239 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.065 0.917 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.297 2.473 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.079 2.808 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.890 4.130 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.550 3.636 0.582 1.00 0.00 H new ATOM 1271 N TYR A 84 -0.070 5.291 1.008 1.00 0.00 N ATOM 1272 CA TYR A 84 0.274 6.587 1.566 1.00 0.00 C ATOM 1273 C TYR A 84 -0.923 7.540 1.517 1.00 0.00 C ATOM 1274 O TYR A 84 -1.984 7.183 1.008 1.00 0.00 O ATOM 1275 CB TYR A 84 1.390 7.145 0.680 1.00 0.00 C ATOM 1276 CG TYR A 84 2.646 6.271 0.638 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.370 6.048 1.791 1.00 0.00 C ATOM 1278 CD2 TYR A 84 3.054 5.707 -0.554 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.551 5.226 1.752 1.00 0.00 C ATOM 1280 CE2 TYR A 84 4.236 4.885 -0.593 1.00 0.00 C ATOM 1281 CZ TYR A 84 4.926 4.686 0.561 1.00 0.00 C ATOM 1282 OH TYR A 84 6.042 3.909 0.524 1.00 0.00 O ATOM 0 H TYR A 84 -0.831 5.307 0.329 1.00 0.00 H new ATOM 0 HA TYR A 84 0.577 6.488 2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.009 7.265 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.662 8.138 1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.051 6.490 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.487 5.882 -1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.126 5.042 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.567 4.437 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 84 6.188 3.590 -0.391 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.711 8.732 2.054 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.759 9.739 2.079 1.00 0.00 C ATOM 1294 C ARG A 85 -1.564 10.737 0.936 1.00 0.00 C ATOM 1295 O ARG A 85 -0.551 11.432 0.881 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.767 10.493 3.410 1.00 0.00 C ATOM 1297 CG ARG A 85 -0.343 10.709 3.926 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.313 11.775 5.023 1.00 0.00 C ATOM 1299 NE ARG A 85 0.273 13.028 4.495 1.00 0.00 N ATOM 1300 CZ ARG A 85 0.112 14.230 5.064 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.618 14.351 6.181 1.00 0.00 N ATOM 1302 NH2 ARG A 85 0.680 15.313 4.515 1.00 0.00 N ATOM 0 H ARG A 85 0.171 9.024 2.475 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.714 9.227 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.262 11.456 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.343 9.933 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.053 9.771 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.304 11.011 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.323 11.962 5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.272 11.419 5.871 1.00 0.00 H new ATOM 0 HE ARG A 85 0.834 12.973 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.052 13.528 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.740 15.267 6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.235 15.222 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.557 16.228 4.948 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.550 10.775 0.052 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.499 11.677 -1.087 1.00 0.00 C ATOM 1318 C LYS A 86 -2.387 13.118 -0.586 1.00 0.00 C ATOM 1319 O LYS A 86 -3.178 13.551 0.251 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.693 11.438 -2.013 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.497 10.169 -2.845 1.00 0.00 C ATOM 1322 CD LYS A 86 -4.328 10.221 -4.129 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.495 10.743 -5.300 1.00 0.00 C ATOM 1324 NZ LYS A 86 -4.021 10.224 -6.583 1.00 0.00 N ATOM 0 H LYS A 86 -3.389 10.196 0.101 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.613 11.480 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.605 11.352 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.822 12.295 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.442 10.053 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.783 9.297 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.706 9.226 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.195 10.864 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.511 11.833 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.455 10.440 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.444 10.588 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.983 9.185 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.006 10.534 -6.705 1.00 0.00 H new ATOM 1338 N ASP A 87 -1.399 13.821 -1.119 1.00 0.00 N ATOM 1339 CA ASP A 87 -1.174 15.205 -0.737 1.00 0.00 C ATOM 1340 C ASP A 87 0.096 15.718 -1.419 1.00 0.00 C ATOM 1341 O ASP A 87 0.068 16.739 -2.104 1.00 0.00 O ATOM 1342 CB ASP A 87 -0.983 15.334 0.775 1.00 0.00 C ATOM 1343 CG ASP A 87 -2.030 16.194 1.487 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -1.820 17.426 1.528 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -3.016 15.600 1.975 1.00 0.00 O ATOM 0 H ASP A 87 -0.745 13.458 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.045 15.785 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.994 14.336 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.004 15.756 0.967 1.00 0.00 H new ATOM 1350 N LEU A 88 1.180 14.985 -1.209 1.00 0.00 N ATOM 1351 CA LEU A 88 2.457 15.353 -1.795 1.00 0.00 C ATOM 1352 C LEU A 88 2.393 15.156 -3.311 1.00 0.00 C ATOM 1353 O LEU A 88 2.797 14.114 -3.823 1.00 0.00 O ATOM 1354 CB LEU A 88 3.596 14.583 -1.123 1.00 0.00 C ATOM 1355 CG LEU A 88 3.913 14.980 0.321 1.00 0.00 C ATOM 1356 CD1 LEU A 88 3.969 13.749 1.228 1.00 0.00 C ATOM 1357 CD2 LEU A 88 5.200 15.803 0.393 1.00 0.00 C ATOM 0 H LEU A 88 1.200 14.138 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 88 2.668 16.408 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.351 13.521 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.498 14.712 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 88 3.105 15.613 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.196 14.059 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.006 13.239 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.745 13.071 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.402 16.072 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.030 15.215 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.086 16.709 -0.201 1.00 0.00 H new ATOM 1369 N ALA A 89 1.883 16.176 -3.986 1.00 0.00 N ATOM 1370 CA ALA A 89 1.761 16.128 -5.434 1.00 0.00 C ATOM 1371 C ALA A 89 1.331 14.723 -5.859 1.00 0.00 C ATOM 1372 O ALA A 89 0.727 13.991 -5.077 1.00 0.00 O ATOM 1373 CB ALA A 89 3.086 16.552 -6.072 1.00 0.00 C ATOM 0 H ALA A 89 1.550 17.040 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 89 0.996 16.824 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.995 16.516 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.331 17.568 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.877 15.874 -5.752 1.00 0.00 H new ATOM 1379 N ASP A 90 1.661 14.388 -7.098 1.00 0.00 N ATOM 1380 CA ASP A 90 1.317 13.083 -7.637 1.00 0.00 C ATOM 1381 C ASP A 90 1.907 11.994 -6.740 1.00 0.00 C ATOM 1382 O ASP A 90 1.180 11.334 -5.999 1.00 0.00 O ATOM 1383 CB ASP A 90 1.891 12.900 -9.044 1.00 0.00 C ATOM 1384 CG ASP A 90 0.852 12.650 -10.138 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -0.074 11.854 -9.871 1.00 0.00 O ATOM 1386 OD2 ASP A 90 1.007 13.261 -11.218 1.00 0.00 O ATOM 0 H ASP A 90 2.163 14.998 -7.744 1.00 0.00 H new ATOM 0 HA ASP A 90 0.230 13.011 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.464 13.790 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.590 12.063 -9.029 1.00 0.00 H new ATOM 1391 N THR A 91 3.219 11.839 -6.836 1.00 0.00 N ATOM 1392 CA THR A 91 3.915 10.840 -6.042 1.00 0.00 C ATOM 1393 C THR A 91 3.366 10.817 -4.614 1.00 0.00 C ATOM 1394 O THR A 91 2.691 11.753 -4.189 1.00 0.00 O ATOM 1395 CB THR A 91 5.413 11.141 -6.112 1.00 0.00 C ATOM 1396 OG1 THR A 91 5.654 11.387 -7.495 1.00 0.00 O ATOM 1397 CG2 THR A 91 6.272 9.915 -5.797 1.00 0.00 C ATOM 0 H THR A 91 3.819 12.388 -7.451 1.00 0.00 H new ATOM 0 HA THR A 91 3.751 9.837 -6.436 1.00 0.00 H new ATOM 0 HB THR A 91 5.655 11.943 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.603 11.593 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.326 10.183 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.047 9.562 -4.790 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.055 9.124 -6.515 1.00 0.00 H new ATOM 1405 N LEU A 92 3.675 9.736 -3.913 1.00 0.00 N ATOM 1406 CA LEU A 92 3.221 9.578 -2.542 1.00 0.00 C ATOM 1407 C LEU A 92 4.423 9.661 -1.599 1.00 0.00 C ATOM 1408 O LEU A 92 5.530 9.986 -2.025 1.00 0.00 O ATOM 1409 CB LEU A 92 2.409 8.290 -2.392 1.00 0.00 C ATOM 1410 CG LEU A 92 1.029 8.287 -3.053 1.00 0.00 C ATOM 1411 CD1 LEU A 92 -0.079 8.451 -2.011 1.00 0.00 C ATOM 1412 CD2 LEU A 92 0.944 9.349 -4.151 1.00 0.00 C ATOM 0 H LEU A 92 4.234 8.961 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 92 2.544 10.388 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.991 7.467 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.281 8.086 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 92 0.882 7.318 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.049 8.446 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.032 7.628 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.054 9.396 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.047 9.325 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.122 10.334 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.696 9.146 -4.913 1.00 0.00 H new ATOM 1424 N ASN A 93 4.164 9.361 -0.334 1.00 0.00 N ATOM 1425 CA ASN A 93 5.211 9.397 0.673 1.00 0.00 C ATOM 1426 C ASN A 93 4.764 8.592 1.895 1.00 0.00 C ATOM 1427 O ASN A 93 3.569 8.471 2.160 1.00 0.00 O ATOM 1428 CB ASN A 93 5.489 10.831 1.127 1.00 0.00 C ATOM 1429 CG ASN A 93 6.528 11.500 0.225 1.00 0.00 C ATOM 1430 OD1 ASN A 93 6.007 12.139 -0.819 1.00 0.00 O flip ATOM 1431 ND2 ASN A 93 7.723 11.440 0.461 1.00 0.00 N flip ATOM 0 H ASN A 93 3.244 9.092 0.016 1.00 0.00 H new ATOM 0 HA ASN A 93 6.116 8.976 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.564 11.407 1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.845 10.828 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.056 10.932 1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.389 11.897 -0.161 1.00 0.00 H new ATOM 1438 N PRO A 94 5.774 8.049 2.626 1.00 0.00 N ATOM 1439 CA PRO A 94 5.498 7.259 3.814 1.00 0.00 C ATOM 1440 C PRO A 94 5.087 8.155 4.984 1.00 0.00 C ATOM 1441 O PRO A 94 5.735 9.165 5.255 1.00 0.00 O ATOM 1442 CB PRO A 94 6.780 6.486 4.079 1.00 0.00 C ATOM 1443 CG PRO A 94 7.872 7.215 3.314 1.00 0.00 C ATOM 1444 CD PRO A 94 7.201 8.172 2.342 1.00 0.00 C ATOM 0 HA PRO A 94 4.658 6.577 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.004 6.455 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.690 5.453 3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.520 7.760 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.501 6.505 2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.548 9.195 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.423 7.907 1.308 1.00 0.00 H new ATOM 1452 N PHE A 95 4.012 7.753 5.646 1.00 0.00 N ATOM 1453 CA PHE A 95 3.506 8.506 6.781 1.00 0.00 C ATOM 1454 C PHE A 95 4.607 8.741 7.817 1.00 0.00 C ATOM 1455 O PHE A 95 5.733 8.275 7.649 1.00 0.00 O ATOM 1456 CB PHE A 95 2.395 7.667 7.416 1.00 0.00 C ATOM 1457 CG PHE A 95 1.043 7.791 6.711 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.267 8.889 6.915 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.616 6.802 5.880 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.988 9.004 6.261 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.639 6.916 5.227 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.415 8.015 5.431 1.00 0.00 C ATOM 0 H PHE A 95 3.477 6.915 5.418 1.00 0.00 H new ATOM 0 HA PHE A 95 3.142 9.479 6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.699 6.620 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.279 7.965 8.458 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.606 9.674 7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.232 5.930 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.603 9.877 6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.978 6.130 4.568 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.370 8.102 4.934 1.00 0.00 H new ATOM 1472 N ALA A 96 4.243 9.464 8.866 1.00 0.00 N ATOM 1473 CA ALA A 96 5.186 9.766 9.930 1.00 0.00 C ATOM 1474 C ALA A 96 4.893 8.870 11.135 1.00 0.00 C ATOM 1475 O ALA A 96 3.749 8.768 11.574 1.00 0.00 O ATOM 1476 CB ALA A 96 5.105 11.254 10.277 1.00 0.00 C ATOM 0 H ALA A 96 3.308 9.849 9.002 1.00 0.00 H new ATOM 0 HA ALA A 96 6.207 9.561 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.812 11.481 11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.350 11.847 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.095 11.496 10.608 1.00 0.00 H new ATOM 1482 N GLU A 97 5.948 8.243 11.636 1.00 0.00 N ATOM 1483 CA GLU A 97 5.818 7.359 12.782 1.00 0.00 C ATOM 1484 C GLU A 97 5.164 8.098 13.951 1.00 0.00 C ATOM 1485 O GLU A 97 5.048 9.322 13.930 1.00 0.00 O ATOM 1486 CB GLU A 97 7.177 6.785 13.188 1.00 0.00 C ATOM 1487 CG GLU A 97 7.697 5.808 12.131 1.00 0.00 C ATOM 1488 CD GLU A 97 9.219 5.670 12.214 1.00 0.00 C ATOM 1489 OE1 GLU A 97 9.885 6.727 12.235 1.00 0.00 O ATOM 1490 OE2 GLU A 97 9.682 4.509 12.255 1.00 0.00 O ATOM 0 H GLU A 97 6.896 8.330 11.269 1.00 0.00 H new ATOM 0 HA GLU A 97 5.176 6.524 12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.893 7.596 13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.089 6.275 14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.232 4.833 12.272 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.413 6.156 11.138 1.00 0.00 H new ATOM 1497 N ASN A 98 4.753 7.322 14.944 1.00 0.00 N ATOM 1498 CA ASN A 98 4.113 7.888 16.119 1.00 0.00 C ATOM 1499 C ASN A 98 2.865 8.664 15.692 1.00 0.00 C ATOM 1500 O ASN A 98 2.739 9.053 14.532 1.00 0.00 O ATOM 1501 CB ASN A 98 5.049 8.858 16.843 1.00 0.00 C ATOM 1502 CG ASN A 98 5.386 8.352 18.246 1.00 0.00 C ATOM 1503 OD1 ASN A 98 5.081 7.231 18.620 1.00 0.00 O ATOM 1504 ND2 ASN A 98 6.030 9.237 19.001 1.00 0.00 N ATOM 0 H ASN A 98 4.851 6.307 14.959 1.00 0.00 H new ATOM 0 HA ASN A 98 3.855 7.068 16.789 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.966 8.981 16.267 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.580 9.840 16.910 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.299 8.994 19.954 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.255 10.159 18.627 1.00 0.00 H new ATOM 1511 N SER A 99 1.976 8.866 16.653 1.00 0.00 N ATOM 1512 CA SER A 99 0.743 9.589 16.391 1.00 0.00 C ATOM 1513 C SER A 99 -0.083 8.850 15.335 1.00 0.00 C ATOM 1514 O SER A 99 0.405 8.577 14.240 1.00 0.00 O ATOM 1515 CB SER A 99 1.030 11.020 15.934 1.00 0.00 C ATOM 1516 OG SER A 99 0.059 11.942 16.423 1.00 0.00 O ATOM 0 H SER A 99 2.085 8.542 17.614 1.00 0.00 H new ATOM 0 HA SER A 99 0.173 9.640 17.319 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.020 11.319 16.279 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.048 11.056 14.845 1.00 0.00 H new ATOM 0 HG SER A 99 0.279 12.845 16.111 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.319 8.546 15.703 1.00 0.00 N ATOM 1523 CA GLY A 100 -2.217 7.844 14.801 1.00 0.00 C ATOM 1524 C GLY A 100 -3.446 7.322 15.548 1.00 0.00 C ATOM 1525 O GLY A 100 -3.425 7.194 16.771 1.00 0.00 O ATOM 0 H GLY A 100 -1.720 8.773 16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.531 8.514 14.000 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.691 7.012 14.333 1.00 0.00 H new ATOM 1529 N PRO A 101 -4.514 7.027 14.760 1.00 0.00 N ATOM 1530 CA PRO A 101 -5.750 6.521 15.334 1.00 0.00 C ATOM 1531 C PRO A 101 -5.604 5.055 15.745 1.00 0.00 C ATOM 1532 O PRO A 101 -5.697 4.159 14.907 1.00 0.00 O ATOM 1533 CB PRO A 101 -6.800 6.734 14.256 1.00 0.00 C ATOM 1534 CG PRO A 101 -6.032 6.919 12.957 1.00 0.00 C ATOM 1535 CD PRO A 101 -4.574 7.166 13.308 1.00 0.00 C ATOM 0 HA PRO A 101 -6.030 7.038 16.252 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.474 5.880 14.193 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.413 7.608 14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.128 6.034 12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.436 7.759 12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.920 6.447 12.814 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.253 8.158 12.992 1.00 0.00 H new ATOM 1543 N SER A 102 -5.378 4.855 17.035 1.00 0.00 N ATOM 1544 CA SER A 102 -5.218 3.512 17.567 1.00 0.00 C ATOM 1545 C SER A 102 -3.815 2.988 17.253 1.00 0.00 C ATOM 1546 O SER A 102 -3.051 2.667 18.162 1.00 0.00 O ATOM 1547 CB SER A 102 -6.277 2.565 17.000 1.00 0.00 C ATOM 1548 OG SER A 102 -6.509 1.449 17.856 1.00 0.00 O ATOM 0 H SER A 102 -5.302 5.600 17.727 1.00 0.00 H new ATOM 0 HA SER A 102 -5.349 3.555 18.648 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.210 3.110 16.854 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.958 2.210 16.020 1.00 0.00 H new ATOM 0 HG SER A 102 -7.193 0.869 17.460 1.00 0.00 H new ATOM 1554 N SER A 103 -3.519 2.918 15.964 1.00 0.00 N ATOM 1555 CA SER A 103 -2.222 2.439 15.519 1.00 0.00 C ATOM 1556 C SER A 103 -1.128 3.422 15.940 1.00 0.00 C ATOM 1557 O SER A 103 -0.874 4.407 15.249 1.00 0.00 O ATOM 1558 CB SER A 103 -2.200 2.238 14.002 1.00 0.00 C ATOM 1559 OG SER A 103 -2.025 0.868 13.648 1.00 0.00 O ATOM 0 H SER A 103 -4.156 3.185 15.213 1.00 0.00 H new ATOM 0 HA SER A 103 -2.034 1.474 15.989 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.132 2.607 13.574 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.394 2.830 13.569 1.00 0.00 H new ATOM 0 HG SER A 103 -2.018 0.781 12.672 1.00 0.00 H new ATOM 1565 N GLY A 104 -0.509 3.120 17.072 1.00 0.00 N ATOM 1566 CA GLY A 104 0.551 3.965 17.594 1.00 0.00 C ATOM 1567 C GLY A 104 0.240 4.418 19.022 1.00 0.00 C ATOM 1568 O GLY A 104 -0.017 3.592 19.896 1.00 0.00 O ATOM 0 H GLY A 104 -0.722 2.301 17.642 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.495 3.421 17.579 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.676 4.837 16.951 1.00 0.00 H new TER 1572 GLY A 104