USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 7 ASN : amide:sc= 1.64 K(o=3.3,f=2.6) USER MOD Set 1.2: A 62 SER OG : rot -30:sc= 1.62 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.45 (180deg=2.17) USER MOD Single : A 10 THR OG1 : rot 24:sc= 1.95 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : A 18 SER OG : rot -111:sc= 1.15 USER MOD Single : A 19 SER OG : rot 180:sc= 0.304 USER MOD Single : A 48 TYR OH : rot 15:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= 1.21 (180deg=0.219) USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 0.4 (180deg=0.345) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.137) USER MOD Single : A 54 CYS SG : rot -159:sc= 0.276 USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= 0.0261 (180deg=-0.3) USER MOD Single : A 58 ASN : amide:sc= -0.0607 K(o=-0.061,f=-9.7!) USER MOD Single : A 59 THR OG1 : rot 83:sc= 0.831 USER MOD Single : A 64 ASN : amide:sc= 1.02 K(o=1,f=-1.4) USER MOD Single : A 67 SER OG : rot 71:sc= 1.1 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.212 USER MOD Single : A 76 THR OG1 : rot 99:sc= 2.02 USER MOD Single : A 78 MET CE :methyl 170:sc= 0 (180deg=-0.278) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 0.595 (180deg=0.403) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc=-0.00142 (180deg=-0.0898) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= -0.114 (180deg=-0.243) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0557 USER MOD Single : A 88 THR OG1 : rot 33:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 1.83 (180deg=1.8) USER MOD Single : A 97 THR OG1 : rot -150:sc= 0.0178 USER MOD Single : A 100 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.2) USER MOD Single : A 101 THR OG1 : rot 72:sc= 1.19 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -49:sc= 1.25 USER MOD Single : A 107 ASN : amide:sc= 1.8 K(o=1.8,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.934 -3.271 -11.501 1.00 0.00 N ATOM 2 CA MET A 1 -2.005 -3.130 -12.502 1.00 0.00 C ATOM 3 C MET A 1 -3.245 -2.679 -11.747 1.00 0.00 C ATOM 4 O MET A 1 -3.571 -3.313 -10.750 1.00 0.00 O ATOM 5 CB MET A 1 -2.241 -4.453 -13.248 1.00 0.00 C ATOM 6 CG MET A 1 -3.492 -4.398 -14.139 1.00 0.00 C ATOM 7 SD MET A 1 -3.646 -2.943 -15.208 1.00 0.00 S ATOM 8 CE MET A 1 -2.246 -3.203 -16.320 1.00 0.00 C ATOM 0 H1 MET A 1 -0.032 -3.464 -11.982 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.853 -2.391 -10.953 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.159 -4.058 -10.860 1.00 0.00 H new ATOM 0 HA MET A 1 -1.737 -2.400 -13.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.370 -4.684 -13.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.346 -5.262 -12.526 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.505 -5.288 -14.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.372 -4.447 -13.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.200 -2.389 -17.044 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.322 -3.228 -15.742 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.370 -4.149 -16.846 1.00 0.00 H new ATOM 20 N GLU A 2 -3.886 -1.586 -12.174 1.00 0.00 N ATOM 21 CA GLU A 2 -4.935 -0.891 -11.432 1.00 0.00 C ATOM 22 C GLU A 2 -4.226 -0.222 -10.252 1.00 0.00 C ATOM 23 O GLU A 2 -4.098 0.998 -10.205 1.00 0.00 O ATOM 24 CB GLU A 2 -6.107 -1.805 -11.034 1.00 0.00 C ATOM 25 CG GLU A 2 -6.689 -2.581 -12.221 1.00 0.00 C ATOM 26 CD GLU A 2 -8.031 -3.201 -11.843 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.999 -4.279 -11.211 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.061 -2.577 -12.179 1.00 0.00 O ATOM 0 H GLU A 2 -3.681 -1.150 -13.073 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.432 -0.142 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.769 -2.511 -10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.893 -1.202 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.817 -1.913 -13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.994 -3.362 -12.529 1.00 0.00 H new ATOM 35 N ALA A 3 -3.700 -1.034 -9.337 1.00 0.00 N ATOM 36 CA ALA A 3 -2.786 -0.582 -8.309 1.00 0.00 C ATOM 37 C ALA A 3 -1.481 -0.217 -9.017 1.00 0.00 C ATOM 38 O ALA A 3 -0.990 -1.020 -9.825 1.00 0.00 O ATOM 39 CB ALA A 3 -2.517 -1.707 -7.313 1.00 0.00 C ATOM 0 H ALA A 3 -3.903 -2.033 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.203 0.265 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.828 -1.356 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.454 -2.013 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.076 -2.557 -7.834 1.00 0.00 H new ATOM 45 N GLY A 4 -0.920 0.965 -8.746 1.00 0.00 N ATOM 46 CA GLY A 4 0.312 1.375 -9.402 1.00 0.00 C ATOM 47 C GLY A 4 1.545 0.765 -8.732 1.00 0.00 C ATOM 48 O GLY A 4 1.451 0.118 -7.686 1.00 0.00 O ATOM 0 H GLY A 4 -1.298 1.643 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.283 1.076 -10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.389 2.462 -9.383 1.00 0.00 H new ATOM 52 N ALA A 5 2.709 1.010 -9.334 1.00 0.00 N ATOM 53 CA ALA A 5 4.017 0.652 -8.812 1.00 0.00 C ATOM 54 C ALA A 5 4.705 1.983 -8.516 1.00 0.00 C ATOM 55 O ALA A 5 4.679 2.862 -9.377 1.00 0.00 O ATOM 56 CB ALA A 5 4.796 -0.163 -9.846 1.00 0.00 C ATOM 0 H ALA A 5 2.762 1.483 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 5 3.954 0.031 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.774 -0.424 -9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.245 -1.074 -10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.925 0.428 -10.753 1.00 0.00 H new ATOM 62 N VAL A 6 5.259 2.162 -7.315 1.00 0.00 N ATOM 63 CA VAL A 6 5.894 3.403 -6.899 1.00 0.00 C ATOM 64 C VAL A 6 7.291 3.119 -6.348 1.00 0.00 C ATOM 65 O VAL A 6 7.636 1.996 -5.986 1.00 0.00 O ATOM 66 CB VAL A 6 5.019 4.159 -5.868 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.538 4.147 -6.244 1.00 0.00 C ATOM 68 CG2 VAL A 6 5.078 3.606 -4.442 1.00 0.00 C ATOM 0 H VAL A 6 5.277 1.436 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 6 5.997 4.051 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 6 5.447 5.161 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.967 4.689 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.405 4.626 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.184 3.117 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.434 4.200 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.739 2.570 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.103 3.653 -4.076 1.00 0.00 H new ATOM 78 N ASN A 7 8.087 4.179 -6.288 1.00 0.00 N ATOM 79 CA ASN A 7 9.428 4.248 -5.740 1.00 0.00 C ATOM 80 C ASN A 7 9.530 5.564 -4.980 1.00 0.00 C ATOM 81 O ASN A 7 8.593 6.361 -5.017 1.00 0.00 O ATOM 82 CB ASN A 7 10.455 4.189 -6.876 1.00 0.00 C ATOM 83 CG ASN A 7 10.622 2.761 -7.369 1.00 0.00 C ATOM 84 OD1 ASN A 7 10.243 2.426 -8.485 1.00 0.00 O ATOM 85 ND2 ASN A 7 11.198 1.910 -6.528 1.00 0.00 N ATOM 0 H ASN A 7 7.784 5.083 -6.651 1.00 0.00 H new ATOM 0 HA ASN A 7 9.630 3.410 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.134 4.829 -7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.413 4.574 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.339 0.938 -6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.500 2.228 -5.607 1.00 0.00 H new ATOM 92 N ASP A 8 10.657 5.798 -4.308 1.00 0.00 N ATOM 93 CA ASP A 8 10.897 6.982 -3.482 1.00 0.00 C ATOM 94 C ASP A 8 10.490 8.267 -4.210 1.00 0.00 C ATOM 95 O ASP A 8 9.663 9.043 -3.739 1.00 0.00 O ATOM 96 CB ASP A 8 12.382 7.020 -3.093 1.00 0.00 C ATOM 97 CG ASP A 8 12.694 8.024 -1.986 1.00 0.00 C ATOM 98 OD1 ASP A 8 11.766 8.746 -1.561 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.871 8.033 -1.563 1.00 0.00 O ATOM 0 H ASP A 8 11.448 5.154 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 8 10.283 6.920 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.691 6.026 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.974 7.266 -3.974 1.00 0.00 H new ATOM 104 N ASP A 9 11.056 8.453 -5.398 1.00 0.00 N ATOM 105 CA ASP A 9 10.832 9.601 -6.263 1.00 0.00 C ATOM 106 C ASP A 9 9.340 9.901 -6.419 1.00 0.00 C ATOM 107 O ASP A 9 8.894 11.026 -6.212 1.00 0.00 O ATOM 108 CB ASP A 9 11.458 9.307 -7.634 1.00 0.00 C ATOM 109 CG ASP A 9 12.934 8.934 -7.535 1.00 0.00 C ATOM 110 OD1 ASP A 9 13.194 7.829 -7.007 1.00 0.00 O ATOM 111 OD2 ASP A 9 13.766 9.752 -7.980 1.00 0.00 O ATOM 0 H ASP A 9 11.709 7.780 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 9 11.295 10.480 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.912 8.493 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.350 10.183 -8.274 1.00 0.00 H new ATOM 116 N THR A 10 8.566 8.882 -6.792 1.00 0.00 N ATOM 117 CA THR A 10 7.139 9.003 -7.031 1.00 0.00 C ATOM 118 C THR A 10 6.341 9.090 -5.727 1.00 0.00 C ATOM 119 O THR A 10 5.364 9.829 -5.681 1.00 0.00 O ATOM 120 CB THR A 10 6.693 7.799 -7.867 1.00 0.00 C ATOM 121 OG1 THR A 10 7.293 6.634 -7.347 1.00 0.00 O ATOM 122 CG2 THR A 10 7.140 7.946 -9.323 1.00 0.00 C ATOM 0 H THR A 10 8.924 7.938 -6.937 1.00 0.00 H new ATOM 0 HA THR A 10 6.944 9.931 -7.569 1.00 0.00 H new ATOM 0 HB THR A 10 5.605 7.739 -7.827 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.525 6.778 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.811 7.078 -9.894 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.701 8.848 -9.749 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.227 8.016 -9.365 1.00 0.00 H new ATOM 130 N PHE A 11 6.739 8.344 -4.687 1.00 0.00 N ATOM 131 CA PHE A 11 6.092 8.252 -3.374 1.00 0.00 C ATOM 132 C PHE A 11 5.631 9.626 -2.905 1.00 0.00 C ATOM 133 O PHE A 11 4.510 9.844 -2.454 1.00 0.00 O ATOM 134 CB PHE A 11 7.104 7.675 -2.375 1.00 0.00 C ATOM 135 CG PHE A 11 6.612 7.500 -0.956 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.799 6.406 -0.620 1.00 0.00 C ATOM 137 CD2 PHE A 11 7.056 8.376 0.053 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.361 6.238 0.704 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.660 8.178 1.384 1.00 0.00 C ATOM 140 CZ PHE A 11 5.792 7.122 1.708 1.00 0.00 C ATOM 0 H PHE A 11 7.570 7.755 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 11 5.217 7.606 -3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.436 6.705 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.978 8.326 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.510 5.694 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.703 9.203 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.691 5.427 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.022 8.837 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.457 6.990 2.726 1.00 0.00 H new ATOM 150 N LYS A 12 6.540 10.571 -3.048 1.00 0.00 N ATOM 151 CA LYS A 12 6.326 11.960 -2.706 1.00 0.00 C ATOM 152 C LYS A 12 5.049 12.527 -3.336 1.00 0.00 C ATOM 153 O LYS A 12 4.249 13.166 -2.664 1.00 0.00 O ATOM 154 CB LYS A 12 7.541 12.752 -3.182 1.00 0.00 C ATOM 155 CG LYS A 12 8.564 12.910 -2.049 1.00 0.00 C ATOM 156 CD LYS A 12 9.265 11.591 -1.684 1.00 0.00 C ATOM 157 CE LYS A 12 9.981 11.673 -0.333 1.00 0.00 C ATOM 158 NZ LYS A 12 11.126 12.598 -0.379 1.00 0.00 N ATOM 0 H LYS A 12 7.473 10.386 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 12 6.201 12.041 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.004 12.244 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.226 13.734 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.314 13.644 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.062 13.305 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.530 10.786 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.986 11.337 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.278 12.002 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.326 10.681 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.586 12.628 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.809 12.270 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.793 13.550 -0.631 1.00 0.00 H new ATOM 172 N ASN A 13 4.877 12.333 -4.639 1.00 0.00 N ATOM 173 CA ASN A 13 3.714 12.831 -5.369 1.00 0.00 C ATOM 174 C ASN A 13 2.500 11.945 -5.125 1.00 0.00 C ATOM 175 O ASN A 13 1.413 12.394 -4.780 1.00 0.00 O ATOM 176 CB ASN A 13 4.016 12.811 -6.879 1.00 0.00 C ATOM 177 CG ASN A 13 4.550 14.146 -7.387 1.00 0.00 C ATOM 178 OD1 ASN A 13 4.040 14.701 -8.353 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.589 14.674 -6.747 1.00 0.00 N ATOM 0 H ASN A 13 5.542 11.824 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 13 3.503 13.843 -5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.745 12.028 -7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.107 12.556 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.981 15.563 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.994 14.190 -5.946 1.00 0.00 H new ATOM 186 N VAL A 14 2.716 10.660 -5.365 1.00 0.00 N ATOM 187 CA VAL A 14 1.670 9.649 -5.419 1.00 0.00 C ATOM 188 C VAL A 14 1.064 9.371 -4.044 1.00 0.00 C ATOM 189 O VAL A 14 -0.133 9.105 -3.949 1.00 0.00 O ATOM 190 CB VAL A 14 2.254 8.382 -6.078 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.228 7.245 -6.172 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.724 8.692 -7.508 1.00 0.00 C ATOM 0 H VAL A 14 3.648 10.282 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 14 0.840 10.015 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 14 3.084 8.066 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.689 6.377 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.889 6.977 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.376 7.572 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.134 7.789 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.879 9.043 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.493 9.464 -7.479 1.00 0.00 H new ATOM 202 N VAL A 15 1.876 9.425 -2.988 1.00 0.00 N ATOM 203 CA VAL A 15 1.479 9.070 -1.635 1.00 0.00 C ATOM 204 C VAL A 15 1.430 10.293 -0.720 1.00 0.00 C ATOM 205 O VAL A 15 0.374 10.584 -0.161 1.00 0.00 O ATOM 206 CB VAL A 15 2.434 7.993 -1.088 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.895 7.440 0.233 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.635 6.863 -2.107 1.00 0.00 C ATOM 0 H VAL A 15 2.849 9.724 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 15 0.468 8.665 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 15 3.406 8.453 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.576 6.679 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.812 8.249 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.912 6.998 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.314 6.117 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.675 6.397 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.060 7.271 -3.024 1.00 0.00 H new ATOM 218 N LEU A 16 2.557 10.995 -0.551 1.00 0.00 N ATOM 219 CA LEU A 16 2.615 12.100 0.401 1.00 0.00 C ATOM 220 C LEU A 16 1.710 13.258 -0.045 1.00 0.00 C ATOM 221 O LEU A 16 0.641 13.476 0.526 1.00 0.00 O ATOM 222 CB LEU A 16 4.065 12.558 0.643 1.00 0.00 C ATOM 223 CG LEU A 16 5.010 11.454 1.149 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.366 12.082 1.489 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.477 10.753 2.402 1.00 0.00 C ATOM 0 H LEU A 16 3.426 10.818 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 16 2.234 11.742 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.465 12.962 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.059 13.373 1.367 1.00 0.00 H new ATOM 0 HG LEU A 16 5.096 10.709 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.045 11.309 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.786 12.547 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.233 12.838 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.182 9.984 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.355 11.482 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.514 10.293 2.180 1.00 0.00 H new ATOM 237 N GLU A 17 2.115 14.005 -1.072 1.00 0.00 N ATOM 238 CA GLU A 17 1.369 15.147 -1.586 1.00 0.00 C ATOM 239 C GLU A 17 0.286 14.642 -2.546 1.00 0.00 C ATOM 240 O GLU A 17 0.258 15.014 -3.717 1.00 0.00 O ATOM 241 CB GLU A 17 2.362 16.115 -2.254 1.00 0.00 C ATOM 242 CG GLU A 17 1.772 17.513 -2.500 1.00 0.00 C ATOM 243 CD GLU A 17 1.476 18.249 -1.197 1.00 0.00 C ATOM 244 OE1 GLU A 17 2.458 18.685 -0.558 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.278 18.351 -0.857 1.00 0.00 O ATOM 0 H GLU A 17 2.984 13.829 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 17 0.862 15.692 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.248 16.207 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.688 15.693 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.470 18.100 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.854 17.421 -3.081 1.00 0.00 H new ATOM 252 N SER A 18 -0.591 13.773 -2.038 1.00 0.00 N ATOM 253 CA SER A 18 -1.665 13.159 -2.801 1.00 0.00 C ATOM 254 C SER A 18 -2.914 14.061 -2.771 1.00 0.00 C ATOM 255 O SER A 18 -2.799 15.276 -2.914 1.00 0.00 O ATOM 256 CB SER A 18 -1.863 11.744 -2.242 1.00 0.00 C ATOM 257 OG SER A 18 -2.022 11.793 -0.837 1.00 0.00 O ATOM 0 H SER A 18 -0.568 13.474 -1.063 1.00 0.00 H new ATOM 0 HA SER A 18 -1.431 13.059 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.739 11.284 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.006 11.121 -2.497 1.00 0.00 H new ATOM 0 HG SER A 18 -1.239 11.392 -0.405 1.00 0.00 H new ATOM 263 N SER A 19 -4.118 13.495 -2.635 1.00 0.00 N ATOM 264 CA SER A 19 -5.372 14.248 -2.629 1.00 0.00 C ATOM 265 C SER A 19 -6.434 13.362 -1.985 1.00 0.00 C ATOM 266 O SER A 19 -6.884 13.602 -0.868 1.00 0.00 O ATOM 267 CB SER A 19 -5.747 14.629 -4.068 1.00 0.00 C ATOM 268 OG SER A 19 -5.609 13.506 -4.923 1.00 0.00 O ATOM 0 H SER A 19 -4.248 12.489 -2.525 1.00 0.00 H new ATOM 0 HA SER A 19 -5.281 15.174 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.773 14.995 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.108 15.441 -4.415 1.00 0.00 H new ATOM 0 HG SER A 19 -5.852 13.760 -5.838 1.00 0.00 H new ATOM 274 N VAL A 20 -6.782 12.297 -2.704 1.00 0.00 N ATOM 275 CA VAL A 20 -7.631 11.228 -2.199 1.00 0.00 C ATOM 276 C VAL A 20 -6.715 10.382 -1.311 1.00 0.00 C ATOM 277 O VAL A 20 -5.491 10.474 -1.464 1.00 0.00 O ATOM 278 CB VAL A 20 -8.199 10.391 -3.365 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.253 11.187 -4.136 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.124 9.881 -4.338 1.00 0.00 C ATOM 0 H VAL A 20 -6.476 12.153 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.491 11.609 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.653 9.513 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.641 10.580 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.069 11.456 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.801 12.093 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.597 9.301 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.596 10.729 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.416 9.250 -3.800 1.00 0.00 H new ATOM 290 N PRO A 21 -7.241 9.591 -0.362 1.00 0.00 N ATOM 291 CA PRO A 21 -6.364 8.781 0.454 1.00 0.00 C ATOM 292 C PRO A 21 -5.681 7.753 -0.441 1.00 0.00 C ATOM 293 O PRO A 21 -6.083 7.520 -1.579 1.00 0.00 O ATOM 294 CB PRO A 21 -7.230 8.160 1.545 1.00 0.00 C ATOM 295 CG PRO A 21 -8.602 8.101 0.883 1.00 0.00 C ATOM 296 CD PRO A 21 -8.636 9.327 -0.038 1.00 0.00 C ATOM 0 HA PRO A 21 -5.568 9.352 0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.874 7.170 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.242 8.768 2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.731 7.177 0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.402 8.138 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.220 9.130 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.095 10.182 0.459 1.00 0.00 H new ATOM 304 N VAL A 22 -4.633 7.140 0.085 1.00 0.00 N ATOM 305 CA VAL A 22 -3.757 6.232 -0.615 1.00 0.00 C ATOM 306 C VAL A 22 -3.532 4.995 0.251 1.00 0.00 C ATOM 307 O VAL A 22 -3.488 5.108 1.472 1.00 0.00 O ATOM 308 CB VAL A 22 -2.444 6.982 -0.880 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.494 6.128 -1.713 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.679 8.332 -1.574 1.00 0.00 C ATOM 0 H VAL A 22 -4.362 7.273 1.059 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.183 5.901 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.991 7.182 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.570 6.678 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.270 5.205 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.962 5.889 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.722 8.827 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.175 8.168 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.307 8.961 -0.943 1.00 0.00 H new ATOM 320 N LEU A 23 -3.386 3.827 -0.374 1.00 0.00 N ATOM 321 CA LEU A 23 -3.080 2.563 0.277 1.00 0.00 C ATOM 322 C LEU A 23 -1.848 2.013 -0.434 1.00 0.00 C ATOM 323 O LEU A 23 -1.955 1.551 -1.567 1.00 0.00 O ATOM 324 CB LEU A 23 -4.298 1.633 0.197 1.00 0.00 C ATOM 325 CG LEU A 23 -4.101 0.277 0.901 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.461 -0.275 1.344 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.439 -0.767 -0.013 1.00 0.00 C ATOM 0 H LEU A 23 -3.482 3.737 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.864 2.670 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.157 2.138 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.537 1.455 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.447 0.455 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.320 -1.234 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.931 0.426 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.101 -0.410 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.323 -1.705 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.065 -0.931 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.460 -0.406 -0.328 1.00 0.00 H new ATOM 339 N VAL A 24 -0.673 2.111 0.189 1.00 0.00 N ATOM 340 CA VAL A 24 0.558 1.609 -0.406 1.00 0.00 C ATOM 341 C VAL A 24 0.844 0.239 0.211 1.00 0.00 C ATOM 342 O VAL A 24 0.578 0.033 1.398 1.00 0.00 O ATOM 343 CB VAL A 24 1.741 2.572 -0.175 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.341 4.040 -0.338 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.423 2.397 1.183 1.00 0.00 C ATOM 0 H VAL A 24 -0.552 2.536 1.108 1.00 0.00 H new ATOM 0 HA VAL A 24 0.436 1.527 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 24 2.457 2.301 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.210 4.675 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.966 4.205 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.562 4.287 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.244 3.108 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.700 2.576 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.811 1.382 1.267 1.00 0.00 H new ATOM 355 N ASP A 25 1.403 -0.678 -0.580 1.00 0.00 N ATOM 356 CA ASP A 25 1.880 -1.973 -0.122 1.00 0.00 C ATOM 357 C ASP A 25 3.399 -1.988 -0.275 1.00 0.00 C ATOM 358 O ASP A 25 3.903 -1.955 -1.397 1.00 0.00 O ATOM 359 CB ASP A 25 1.240 -3.111 -0.921 1.00 0.00 C ATOM 360 CG ASP A 25 1.862 -4.457 -0.549 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.099 -4.662 0.662 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.102 -5.252 -1.483 1.00 0.00 O ATOM 0 H ASP A 25 1.537 -0.532 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 25 1.603 -2.126 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.167 -3.136 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.369 -2.929 -1.988 1.00 0.00 H new ATOM 367 N PHE A 26 4.149 -2.033 0.825 1.00 0.00 N ATOM 368 CA PHE A 26 5.601 -2.105 0.733 1.00 0.00 C ATOM 369 C PHE A 26 5.936 -3.553 0.408 1.00 0.00 C ATOM 370 O PHE A 26 5.709 -4.423 1.248 1.00 0.00 O ATOM 371 CB PHE A 26 6.235 -1.683 2.061 1.00 0.00 C ATOM 372 CG PHE A 26 6.236 -0.186 2.305 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.086 0.464 2.789 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.428 0.542 2.138 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.132 1.829 3.119 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.485 1.894 2.512 1.00 0.00 C ATOM 377 CZ PHE A 26 6.332 2.546 2.983 1.00 0.00 C ATOM 0 H PHE A 26 3.780 -2.021 1.776 1.00 0.00 H new ATOM 0 HA PHE A 26 5.989 -1.435 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.702 -2.172 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.263 -2.045 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.165 -0.088 2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.300 0.060 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.244 2.327 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.417 2.435 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.369 3.594 3.239 1.00 0.00 H new ATOM 387 N TRP A 27 6.433 -3.806 -0.806 1.00 0.00 N ATOM 388 CA TRP A 27 6.754 -5.162 -1.252 1.00 0.00 C ATOM 389 C TRP A 27 8.220 -5.262 -1.664 1.00 0.00 C ATOM 390 O TRP A 27 8.990 -4.317 -1.505 1.00 0.00 O ATOM 391 CB TRP A 27 5.844 -5.565 -2.422 1.00 0.00 C ATOM 392 CG TRP A 27 6.230 -5.005 -3.752 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.091 -3.721 -4.135 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.934 -5.670 -4.838 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.755 -3.511 -5.328 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.313 -4.686 -5.796 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.338 -7.000 -5.085 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.095 -5.003 -6.916 1.00 0.00 C ATOM 399 CZ3 TRP A 27 8.035 -7.339 -6.256 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.414 -6.345 -7.173 1.00 0.00 C ATOM 0 H TRP A 27 6.622 -3.083 -1.501 1.00 0.00 H new ATOM 0 HA TRP A 27 6.584 -5.847 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.832 -6.653 -2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.826 -5.249 -2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.542 -2.967 -3.590 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.824 -2.610 -5.800 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.107 -7.769 -4.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.448 -4.223 -7.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.281 -8.372 -6.453 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.949 -6.613 -8.072 1.00 0.00 H new ATOM 411 N ALA A 28 8.612 -6.417 -2.212 1.00 0.00 N ATOM 412 CA ALA A 28 9.938 -6.663 -2.781 1.00 0.00 C ATOM 413 C ALA A 28 9.983 -8.036 -3.465 1.00 0.00 C ATOM 414 O ALA A 28 9.406 -8.989 -2.948 1.00 0.00 O ATOM 415 CB ALA A 28 11.023 -6.642 -1.701 1.00 0.00 C ATOM 0 H ALA A 28 7.997 -7.228 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 28 10.125 -5.869 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.995 -6.828 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.032 -5.667 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.816 -7.416 -0.962 1.00 0.00 H new ATOM 421 N PRO A 29 10.661 -8.188 -4.611 1.00 0.00 N ATOM 422 CA PRO A 29 10.810 -9.472 -5.260 1.00 0.00 C ATOM 423 C PRO A 29 11.778 -10.330 -4.445 1.00 0.00 C ATOM 424 O PRO A 29 12.974 -10.063 -4.415 1.00 0.00 O ATOM 425 CB PRO A 29 11.374 -9.191 -6.637 1.00 0.00 C ATOM 426 CG PRO A 29 12.156 -7.887 -6.437 1.00 0.00 C ATOM 427 CD PRO A 29 11.348 -7.158 -5.357 1.00 0.00 C ATOM 0 HA PRO A 29 9.864 -10.009 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.020 -9.999 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.584 -9.077 -7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.180 -8.077 -6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.214 -7.306 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.001 -6.576 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.639 -6.461 -5.804 1.00 0.00 H new ATOM 435 N TRP A 30 11.214 -11.362 -3.830 1.00 0.00 N ATOM 436 CA TRP A 30 11.745 -12.329 -2.871 1.00 0.00 C ATOM 437 C TRP A 30 10.660 -12.495 -1.808 1.00 0.00 C ATOM 438 O TRP A 30 10.518 -13.560 -1.208 1.00 0.00 O ATOM 439 CB TRP A 30 13.085 -11.926 -2.209 1.00 0.00 C ATOM 440 CG TRP A 30 13.152 -10.682 -1.355 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.841 -9.559 -1.664 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.609 -10.440 -0.017 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.703 -8.621 -0.663 1.00 0.00 N ATOM 444 CE2 TRP A 30 12.946 -9.112 0.377 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.885 -11.210 0.920 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.538 -8.561 1.601 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.423 -10.652 2.127 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.722 -9.319 2.455 1.00 0.00 C ATOM 0 H TRP A 30 10.234 -11.570 -4.019 1.00 0.00 H new ATOM 0 HA TRP A 30 11.981 -13.252 -3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.408 -12.764 -1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.821 -11.815 -3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.417 -9.418 -2.566 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.109 -7.686 -0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.682 -12.249 0.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 12.848 -7.566 1.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.835 -11.252 2.805 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.326 -8.880 3.359 1.00 0.00 H new ATOM 459 N CYS A 31 9.874 -11.431 -1.590 1.00 0.00 N ATOM 460 CA CYS A 31 8.839 -11.420 -0.564 1.00 0.00 C ATOM 461 C CYS A 31 7.682 -12.364 -0.908 1.00 0.00 C ATOM 462 O CYS A 31 6.689 -11.965 -1.518 1.00 0.00 O ATOM 463 CB CYS A 31 8.333 -10.000 -0.346 1.00 0.00 C ATOM 464 SG CYS A 31 7.058 -9.911 0.917 1.00 0.00 S ATOM 0 H CYS A 31 9.942 -10.562 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 31 9.284 -11.784 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.168 -9.360 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.938 -9.610 -1.284 1.00 0.00 H new ATOM 469 N GLY A 32 7.827 -13.623 -0.486 1.00 0.00 N ATOM 470 CA GLY A 32 6.853 -14.698 -0.631 1.00 0.00 C ATOM 471 C GLY A 32 5.401 -14.225 -0.501 1.00 0.00 C ATOM 472 O GLY A 32 4.669 -14.270 -1.490 1.00 0.00 O ATOM 0 H GLY A 32 8.674 -13.932 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.987 -15.171 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.048 -15.460 0.124 1.00 0.00 H new ATOM 476 N PRO A 33 4.952 -13.774 0.686 1.00 0.00 N ATOM 477 CA PRO A 33 3.589 -13.303 0.851 1.00 0.00 C ATOM 478 C PRO A 33 3.244 -12.182 -0.121 1.00 0.00 C ATOM 479 O PRO A 33 2.197 -12.232 -0.753 1.00 0.00 O ATOM 480 CB PRO A 33 3.446 -12.858 2.305 1.00 0.00 C ATOM 481 CG PRO A 33 4.881 -12.720 2.806 1.00 0.00 C ATOM 482 CD PRO A 33 5.654 -13.738 1.962 1.00 0.00 C ATOM 0 HA PRO A 33 2.885 -14.103 0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.907 -11.913 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.890 -13.590 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.261 -11.708 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.957 -12.941 3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.694 -13.437 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.663 -14.719 2.436 1.00 0.00 H new ATOM 490 N CYS A 34 4.113 -11.181 -0.266 1.00 0.00 N ATOM 491 CA CYS A 34 3.850 -10.055 -1.148 1.00 0.00 C ATOM 492 C CYS A 34 3.525 -10.549 -2.554 1.00 0.00 C ATOM 493 O CYS A 34 2.629 -10.016 -3.193 1.00 0.00 O ATOM 494 CB CYS A 34 5.032 -9.107 -1.280 1.00 0.00 C ATOM 495 SG CYS A 34 5.834 -8.404 0.182 1.00 0.00 S ATOM 0 H CYS A 34 5.008 -11.132 0.221 1.00 0.00 H new ATOM 0 HA CYS A 34 3.013 -9.522 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.802 -9.634 -1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.702 -8.270 -1.896 1.00 0.00 H new ATOM 500 N ARG A 35 4.268 -11.544 -3.049 1.00 0.00 N ATOM 501 CA ARG A 35 4.075 -12.082 -4.390 1.00 0.00 C ATOM 502 C ARG A 35 2.635 -12.546 -4.593 1.00 0.00 C ATOM 503 O ARG A 35 1.981 -12.166 -5.563 1.00 0.00 O ATOM 504 CB ARG A 35 5.044 -13.254 -4.603 1.00 0.00 C ATOM 505 CG ARG A 35 5.061 -13.857 -6.017 1.00 0.00 C ATOM 506 CD ARG A 35 5.331 -12.844 -7.136 1.00 0.00 C ATOM 507 NE ARG A 35 4.113 -12.106 -7.495 1.00 0.00 N ATOM 508 CZ ARG A 35 4.026 -11.164 -8.441 1.00 0.00 C ATOM 509 NH1 ARG A 35 5.098 -10.827 -9.165 1.00 0.00 N ATOM 510 NH2 ARG A 35 2.850 -10.566 -8.648 1.00 0.00 N ATOM 0 H ARG A 35 5.019 -11.996 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 35 4.277 -11.297 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.052 -12.917 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.792 -14.043 -3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.823 -14.636 -6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.102 -14.339 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.102 -12.143 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.716 -13.363 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 35 3.262 -12.331 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.992 -11.289 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.022 -10.108 -9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.038 -10.830 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.763 -9.845 -9.365 1.00 0.00 H new ATOM 524 N ILE A 36 2.164 -13.399 -3.686 1.00 0.00 N ATOM 525 CA ILE A 36 0.818 -13.963 -3.772 1.00 0.00 C ATOM 526 C ILE A 36 -0.259 -12.933 -3.400 1.00 0.00 C ATOM 527 O ILE A 36 -1.391 -13.056 -3.856 1.00 0.00 O ATOM 528 CB ILE A 36 0.710 -15.243 -2.926 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.064 -14.971 -1.460 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.638 -16.320 -3.506 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.535 -16.038 -0.513 1.00 0.00 C ATOM 0 H ILE A 36 2.699 -13.717 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 36 0.636 -14.237 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.321 -15.594 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.148 -14.908 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.660 -14.002 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.562 -17.227 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.345 -16.538 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.667 -15.960 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.818 -15.789 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.551 -16.085 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.959 -17.006 -0.782 1.00 0.00 H new ATOM 543 N ILE A 37 0.064 -11.945 -2.560 1.00 0.00 N ATOM 544 CA ILE A 37 -0.848 -10.866 -2.171 1.00 0.00 C ATOM 545 C ILE A 37 -1.000 -9.843 -3.314 1.00 0.00 C ATOM 546 O ILE A 37 -2.100 -9.357 -3.552 1.00 0.00 O ATOM 547 CB ILE A 37 -0.364 -10.234 -0.842 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.069 -10.874 0.368 1.00 0.00 C ATOM 549 CG2 ILE A 37 -0.636 -8.727 -0.741 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.938 -12.393 0.493 1.00 0.00 C ATOM 0 H ILE A 37 0.983 -11.872 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.846 -11.266 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 37 0.711 -10.414 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.674 -10.419 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.129 -10.623 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.270 -8.355 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.123 -8.210 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.708 -8.545 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.473 -12.733 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.362 -12.869 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.115 -12.662 0.579 1.00 0.00 H new ATOM 562 N ALA A 38 0.068 -9.517 -4.047 1.00 0.00 N ATOM 563 CA ALA A 38 0.079 -8.536 -5.133 1.00 0.00 C ATOM 564 C ALA A 38 -1.169 -8.555 -6.041 1.00 0.00 C ATOM 565 O ALA A 38 -1.725 -7.485 -6.265 1.00 0.00 O ATOM 566 CB ALA A 38 1.356 -8.696 -5.965 1.00 0.00 C ATOM 0 H ALA A 38 0.981 -9.945 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 38 0.058 -7.559 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.359 -7.963 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.227 -8.538 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.392 -9.700 -6.387 1.00 0.00 H new ATOM 572 N PRO A 39 -1.658 -9.699 -6.557 1.00 0.00 N ATOM 573 CA PRO A 39 -2.858 -9.746 -7.387 1.00 0.00 C ATOM 574 C PRO A 39 -4.068 -9.221 -6.608 1.00 0.00 C ATOM 575 O PRO A 39 -4.936 -8.540 -7.153 1.00 0.00 O ATOM 576 CB PRO A 39 -3.059 -11.218 -7.779 1.00 0.00 C ATOM 577 CG PRO A 39 -1.723 -11.880 -7.444 1.00 0.00 C ATOM 578 CD PRO A 39 -1.256 -11.051 -6.253 1.00 0.00 C ATOM 0 HA PRO A 39 -2.752 -9.118 -8.272 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.879 -11.670 -7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.300 -11.319 -8.837 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.841 -12.933 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.022 -11.831 -8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.713 -11.399 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.176 -11.122 -6.122 1.00 0.00 H new ATOM 586 N VAL A 40 -4.115 -9.544 -5.314 1.00 0.00 N ATOM 587 CA VAL A 40 -5.149 -9.087 -4.409 1.00 0.00 C ATOM 588 C VAL A 40 -5.020 -7.566 -4.306 1.00 0.00 C ATOM 589 O VAL A 40 -6.015 -6.860 -4.420 1.00 0.00 O ATOM 590 CB VAL A 40 -5.042 -9.801 -3.045 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.333 -9.610 -2.249 1.00 0.00 C ATOM 592 CG2 VAL A 40 -4.815 -11.313 -3.203 1.00 0.00 C ATOM 0 H VAL A 40 -3.420 -10.141 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.143 -9.334 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.190 -9.361 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.247 -10.118 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.504 -8.546 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.170 -10.029 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.746 -11.775 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.649 -11.751 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.889 -11.487 -3.751 1.00 0.00 H new ATOM 602 N VAL A 41 -3.797 -7.048 -4.138 1.00 0.00 N ATOM 603 CA VAL A 41 -3.561 -5.603 -4.096 1.00 0.00 C ATOM 604 C VAL A 41 -4.060 -4.965 -5.406 1.00 0.00 C ATOM 605 O VAL A 41 -4.726 -3.929 -5.382 1.00 0.00 O ATOM 606 CB VAL A 41 -2.069 -5.289 -3.850 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.867 -3.788 -3.619 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.511 -6.028 -2.629 1.00 0.00 C ATOM 0 H VAL A 41 -2.954 -7.612 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.118 -5.176 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.537 -5.622 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.810 -3.585 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.205 -3.236 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.443 -3.473 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.459 -5.774 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.068 -5.734 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.608 -7.103 -2.779 1.00 0.00 H new ATOM 618 N ASP A 42 -3.746 -5.589 -6.547 1.00 0.00 N ATOM 619 CA ASP A 42 -4.163 -5.123 -7.863 1.00 0.00 C ATOM 620 C ASP A 42 -5.690 -5.038 -7.929 1.00 0.00 C ATOM 621 O ASP A 42 -6.231 -3.951 -8.115 1.00 0.00 O ATOM 622 CB ASP A 42 -3.622 -6.036 -8.979 1.00 0.00 C ATOM 623 CG ASP A 42 -2.110 -5.953 -9.176 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.613 -4.825 -9.395 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.466 -7.023 -9.163 1.00 0.00 O ATOM 0 H ASP A 42 -3.188 -6.442 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.745 -4.129 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.892 -7.067 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.114 -5.777 -9.916 1.00 0.00 H new ATOM 630 N GLU A 43 -6.402 -6.157 -7.759 1.00 0.00 N ATOM 631 CA GLU A 43 -7.855 -6.148 -7.881 1.00 0.00 C ATOM 632 C GLU A 43 -8.495 -5.215 -6.847 1.00 0.00 C ATOM 633 O GLU A 43 -9.463 -4.521 -7.160 1.00 0.00 O ATOM 634 CB GLU A 43 -8.396 -7.578 -7.805 1.00 0.00 C ATOM 635 CG GLU A 43 -8.540 -8.121 -6.381 1.00 0.00 C ATOM 636 CD GLU A 43 -8.649 -9.638 -6.401 1.00 0.00 C ATOM 637 OE1 GLU A 43 -7.597 -10.283 -6.599 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.785 -10.130 -6.232 1.00 0.00 O ATOM 0 H GLU A 43 -5.998 -7.067 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.128 -5.747 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.369 -7.613 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.733 -8.236 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.681 -7.820 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.424 -7.693 -5.909 1.00 0.00 H new ATOM 645 N ILE A 44 -7.944 -5.168 -5.628 1.00 0.00 N ATOM 646 CA ILE A 44 -8.399 -4.265 -4.580 1.00 0.00 C ATOM 647 C ILE A 44 -8.452 -2.846 -5.144 1.00 0.00 C ATOM 648 O ILE A 44 -9.410 -2.122 -4.880 1.00 0.00 O ATOM 649 CB ILE A 44 -7.483 -4.411 -3.347 1.00 0.00 C ATOM 650 CG1 ILE A 44 -7.968 -5.587 -2.478 1.00 0.00 C ATOM 651 CG2 ILE A 44 -7.370 -3.145 -2.498 1.00 0.00 C ATOM 652 CD1 ILE A 44 -9.213 -5.310 -1.626 1.00 0.00 C ATOM 0 H ILE A 44 -7.165 -5.762 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.406 -4.512 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.481 -4.602 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.177 -6.435 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.155 -5.886 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.709 -3.332 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.964 -2.335 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.357 -2.863 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.468 -6.202 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.010 -4.486 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.047 -5.044 -2.276 1.00 0.00 H new ATOM 664 N ALA A 45 -7.466 -2.445 -5.952 1.00 0.00 N ATOM 665 CA ALA A 45 -7.513 -1.137 -6.587 1.00 0.00 C ATOM 666 C ALA A 45 -8.763 -1.020 -7.455 1.00 0.00 C ATOM 667 O ALA A 45 -9.444 -0.006 -7.409 1.00 0.00 O ATOM 668 CB ALA A 45 -6.278 -0.925 -7.450 1.00 0.00 C ATOM 0 H ALA A 45 -6.641 -3.001 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.541 -0.376 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.326 0.058 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.385 -0.987 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.237 -1.694 -8.222 1.00 0.00 H new ATOM 674 N GLY A 46 -9.088 -2.057 -8.232 1.00 0.00 N ATOM 675 CA GLY A 46 -10.272 -2.060 -9.073 1.00 0.00 C ATOM 676 C GLY A 46 -11.514 -1.803 -8.225 1.00 0.00 C ATOM 677 O GLY A 46 -12.408 -1.069 -8.638 1.00 0.00 O ATOM 0 H GLY A 46 -8.535 -2.912 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.183 -1.294 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.363 -3.018 -9.585 1.00 0.00 H new ATOM 681 N GLU A 47 -11.562 -2.394 -7.028 1.00 0.00 N ATOM 682 CA GLU A 47 -12.680 -2.203 -6.118 1.00 0.00 C ATOM 683 C GLU A 47 -12.736 -0.778 -5.553 1.00 0.00 C ATOM 684 O GLU A 47 -13.788 -0.140 -5.568 1.00 0.00 O ATOM 685 CB GLU A 47 -12.589 -3.196 -4.954 1.00 0.00 C ATOM 686 CG GLU A 47 -12.391 -4.644 -5.416 1.00 0.00 C ATOM 687 CD GLU A 47 -12.720 -5.656 -4.321 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.806 -5.232 -3.146 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.869 -6.842 -4.685 1.00 0.00 O ATOM 0 H GLU A 47 -10.832 -3.011 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.589 -2.375 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.761 -2.911 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.499 -3.132 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.022 -4.835 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.358 -4.782 -5.736 1.00 0.00 H new ATOM 696 N TYR A 48 -11.610 -0.305 -5.013 1.00 0.00 N ATOM 697 CA TYR A 48 -11.530 0.955 -4.272 1.00 0.00 C ATOM 698 C TYR A 48 -10.981 2.156 -5.068 1.00 0.00 C ATOM 699 O TYR A 48 -10.723 3.208 -4.480 1.00 0.00 O ATOM 700 CB TYR A 48 -10.725 0.707 -2.990 1.00 0.00 C ATOM 701 CG TYR A 48 -11.431 -0.221 -2.020 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.505 0.272 -1.258 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.116 -1.591 -1.968 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.270 -0.599 -0.467 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.871 -2.461 -1.164 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.959 -1.968 -0.428 1.00 0.00 C ATOM 707 OH TYR A 48 -13.741 -2.829 0.276 1.00 0.00 O ATOM 0 H TYR A 48 -10.717 -0.793 -5.079 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.552 1.256 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.756 0.282 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.532 1.660 -2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.742 1.325 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.290 -1.975 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.098 -0.217 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.614 -3.509 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.592 -2.395 0.493 1.00 0.00 H new ATOM 717 N LYS A 49 -10.821 2.023 -6.388 1.00 0.00 N ATOM 718 CA LYS A 49 -10.327 3.068 -7.282 1.00 0.00 C ATOM 719 C LYS A 49 -11.006 4.415 -7.023 1.00 0.00 C ATOM 720 O LYS A 49 -12.174 4.462 -6.637 1.00 0.00 O ATOM 721 CB LYS A 49 -10.549 2.659 -8.749 1.00 0.00 C ATOM 722 CG LYS A 49 -12.020 2.347 -9.062 1.00 0.00 C ATOM 723 CD LYS A 49 -12.148 1.790 -10.485 1.00 0.00 C ATOM 724 CE LYS A 49 -13.612 1.536 -10.863 1.00 0.00 C ATOM 725 NZ LYS A 49 -14.272 0.617 -9.918 1.00 0.00 N ATOM 0 H LYS A 49 -11.040 1.155 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.261 3.184 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.205 3.462 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.940 1.783 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.408 1.624 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.621 3.251 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.706 2.492 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.585 0.860 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.151 2.483 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.660 1.119 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.952 0.020 -10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.557 0.014 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.774 1.167 -9.192 1.00 0.00 H new ATOM 739 N ASP A 50 -10.260 5.508 -7.232 1.00 0.00 N ATOM 740 CA ASP A 50 -10.682 6.904 -7.085 1.00 0.00 C ATOM 741 C ASP A 50 -10.853 7.296 -5.620 1.00 0.00 C ATOM 742 O ASP A 50 -10.341 8.321 -5.186 1.00 0.00 O ATOM 743 CB ASP A 50 -11.962 7.203 -7.879 1.00 0.00 C ATOM 744 CG ASP A 50 -11.756 7.014 -9.377 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.308 7.991 -10.015 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.036 5.892 -9.852 1.00 0.00 O ATOM 0 H ASP A 50 -9.286 5.435 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.881 7.514 -7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.763 6.548 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.281 8.227 -7.682 1.00 0.00 H new ATOM 751 N LYS A 51 -11.525 6.461 -4.838 1.00 0.00 N ATOM 752 CA LYS A 51 -11.805 6.707 -3.437 1.00 0.00 C ATOM 753 C LYS A 51 -10.567 6.427 -2.580 1.00 0.00 C ATOM 754 O LYS A 51 -10.498 6.890 -1.445 1.00 0.00 O ATOM 755 CB LYS A 51 -12.909 5.748 -2.984 1.00 0.00 C ATOM 756 CG LYS A 51 -14.195 5.802 -3.830 1.00 0.00 C ATOM 757 CD LYS A 51 -15.102 4.579 -3.604 1.00 0.00 C ATOM 758 CE LYS A 51 -14.405 3.277 -4.030 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.342 2.150 -4.189 1.00 0.00 N ATOM 0 H LYS A 51 -11.898 5.573 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.103 7.749 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.519 4.730 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.162 5.971 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.748 6.710 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.929 5.863 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.378 4.518 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.026 4.700 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.881 3.443 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.652 3.014 -3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.850 1.350 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.697 1.860 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.140 2.444 -4.787 1.00 0.00 H new ATOM 773 N LEU A 52 -9.612 5.659 -3.110 1.00 0.00 N ATOM 774 CA LEU A 52 -8.395 5.240 -2.434 1.00 0.00 C ATOM 775 C LEU A 52 -7.353 4.942 -3.514 1.00 0.00 C ATOM 776 O LEU A 52 -7.658 4.208 -4.454 1.00 0.00 O ATOM 777 CB LEU A 52 -8.732 3.990 -1.608 1.00 0.00 C ATOM 778 CG LEU A 52 -7.618 3.453 -0.700 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.281 4.438 0.424 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.118 2.139 -0.087 1.00 0.00 C ATOM 0 H LEU A 52 -9.674 5.300 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.998 6.003 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.600 4.214 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.026 3.196 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.713 3.305 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.488 4.023 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.947 5.382 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.168 4.611 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.349 1.727 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.023 2.328 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.338 1.427 -0.882 1.00 0.00 H new ATOM 792 N LYS A 53 -6.142 5.497 -3.434 1.00 0.00 N ATOM 793 CA LYS A 53 -5.125 5.275 -4.443 1.00 0.00 C ATOM 794 C LYS A 53 -4.321 4.049 -4.017 1.00 0.00 C ATOM 795 O LYS A 53 -3.444 4.136 -3.164 1.00 0.00 O ATOM 796 CB LYS A 53 -4.274 6.548 -4.591 1.00 0.00 C ATOM 797 CG LYS A 53 -4.025 6.906 -6.062 1.00 0.00 C ATOM 798 CD LYS A 53 -3.156 5.835 -6.747 1.00 0.00 C ATOM 799 CE LYS A 53 -2.945 6.136 -8.236 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.224 7.403 -8.451 1.00 0.00 N ATOM 0 H LYS A 53 -5.848 6.107 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.549 5.076 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.776 7.379 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.319 6.406 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.977 6.997 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.532 7.876 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.189 5.778 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.629 4.859 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.387 5.320 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.912 6.181 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.644 7.331 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.909 8.178 -8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.609 7.595 -7.635 1.00 0.00 H new ATOM 814 N CYS A 54 -4.642 2.882 -4.568 1.00 0.00 N ATOM 815 CA CYS A 54 -3.936 1.659 -4.216 1.00 0.00 C ATOM 816 C CYS A 54 -2.604 1.601 -4.972 1.00 0.00 C ATOM 817 O CYS A 54 -2.571 1.895 -6.168 1.00 0.00 O ATOM 818 CB CYS A 54 -4.815 0.463 -4.556 1.00 0.00 C ATOM 819 SG CYS A 54 -3.925 -1.038 -4.099 1.00 0.00 S ATOM 0 H CYS A 54 -5.384 2.760 -5.257 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.721 1.640 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.762 0.522 -4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.052 0.456 -5.620 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.414 -2.049 -4.754 1.00 0.00 H new ATOM 825 N VAL A 55 -1.499 1.265 -4.297 1.00 0.00 N ATOM 826 CA VAL A 55 -0.179 1.202 -4.912 1.00 0.00 C ATOM 827 C VAL A 55 0.731 0.204 -4.203 1.00 0.00 C ATOM 828 O VAL A 55 0.417 -0.296 -3.125 1.00 0.00 O ATOM 829 CB VAL A 55 0.491 2.596 -4.934 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.511 3.122 -6.365 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.129 3.646 -4.009 1.00 0.00 C ATOM 0 H VAL A 55 -1.501 1.029 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.325 0.861 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 55 1.497 2.438 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.982 4.105 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.075 2.436 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.510 3.202 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.418 4.584 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.171 3.804 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.076 3.299 -2.977 1.00 0.00 H new ATOM 841 N LYS A 56 1.877 -0.067 -4.828 1.00 0.00 N ATOM 842 CA LYS A 56 2.894 -1.000 -4.378 1.00 0.00 C ATOM 843 C LYS A 56 4.281 -0.367 -4.479 1.00 0.00 C ATOM 844 O LYS A 56 4.605 0.156 -5.541 1.00 0.00 O ATOM 845 CB LYS A 56 2.826 -2.197 -5.325 1.00 0.00 C ATOM 846 CG LYS A 56 1.730 -3.178 -4.904 1.00 0.00 C ATOM 847 CD LYS A 56 1.456 -4.246 -5.968 1.00 0.00 C ATOM 848 CE LYS A 56 0.362 -3.827 -6.958 1.00 0.00 C ATOM 849 NZ LYS A 56 0.762 -2.704 -7.825 1.00 0.00 N ATOM 0 H LYS A 56 2.128 0.385 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 56 2.724 -1.285 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.635 -1.850 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.789 -2.708 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.021 -3.664 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.812 -2.627 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.376 -4.453 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.161 -5.174 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.098 -4.682 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.534 -3.548 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.083 -2.610 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.774 -1.824 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.711 -2.884 -8.210 1.00 0.00 H new ATOM 863 N LEU A 57 5.111 -0.436 -3.430 1.00 0.00 N ATOM 864 CA LEU A 57 6.464 0.123 -3.439 1.00 0.00 C ATOM 865 C LEU A 57 7.566 -0.898 -3.212 1.00 0.00 C ATOM 866 O LEU A 57 7.475 -1.732 -2.319 1.00 0.00 O ATOM 867 CB LEU A 57 6.537 1.340 -2.513 1.00 0.00 C ATOM 868 CG LEU A 57 7.263 1.401 -1.160 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.760 1.056 -1.179 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.126 2.864 -0.703 1.00 0.00 C ATOM 0 H LEU A 57 4.859 -0.884 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 57 6.666 0.468 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.965 2.142 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.503 1.615 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 57 6.812 0.652 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.164 1.133 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.894 0.039 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.285 1.751 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.620 2.992 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.590 3.520 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.070 3.117 -0.606 1.00 0.00 H new ATOM 882 N ASN A 58 8.619 -0.840 -4.029 1.00 0.00 N ATOM 883 CA ASN A 58 9.714 -1.792 -3.939 1.00 0.00 C ATOM 884 C ASN A 58 10.700 -1.403 -2.828 1.00 0.00 C ATOM 885 O ASN A 58 11.476 -0.457 -2.945 1.00 0.00 O ATOM 886 CB ASN A 58 10.403 -1.906 -5.299 1.00 0.00 C ATOM 887 CG ASN A 58 11.547 -2.914 -5.244 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.461 -2.781 -4.439 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.514 -3.939 -6.085 1.00 0.00 N ATOM 0 H ASN A 58 8.732 -0.139 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 58 9.315 -2.771 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.679 -2.212 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.786 -0.931 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.259 -4.636 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.744 -4.031 -6.747 1.00 0.00 H new ATOM 896 N THR A 59 10.720 -2.212 -1.775 1.00 0.00 N ATOM 897 CA THR A 59 11.465 -2.031 -0.542 1.00 0.00 C ATOM 898 C THR A 59 12.902 -2.542 -0.685 1.00 0.00 C ATOM 899 O THR A 59 13.396 -3.315 0.130 1.00 0.00 O ATOM 900 CB THR A 59 10.696 -2.784 0.558 1.00 0.00 C ATOM 901 OG1 THR A 59 9.325 -2.429 0.503 1.00 0.00 O ATOM 902 CG2 THR A 59 11.237 -2.459 1.946 1.00 0.00 C ATOM 0 H THR A 59 10.175 -3.074 -1.764 1.00 0.00 H new ATOM 0 HA THR A 59 11.548 -0.974 -0.288 1.00 0.00 H new ATOM 0 HB THR A 59 10.822 -3.852 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.875 -2.968 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.669 -3.009 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.287 -2.746 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.142 -1.389 2.132 1.00 0.00 H new ATOM 910 N ASP A 60 13.576 -2.117 -1.746 1.00 0.00 N ATOM 911 CA ASP A 60 14.950 -2.514 -2.042 1.00 0.00 C ATOM 912 C ASP A 60 15.514 -1.504 -3.046 1.00 0.00 C ATOM 913 O ASP A 60 16.620 -0.996 -2.887 1.00 0.00 O ATOM 914 CB ASP A 60 14.927 -3.969 -2.518 1.00 0.00 C ATOM 915 CG ASP A 60 16.094 -4.308 -3.437 1.00 0.00 C ATOM 916 OD1 ASP A 60 17.170 -4.644 -2.894 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.882 -4.219 -4.666 1.00 0.00 O ATOM 0 H ASP A 60 13.180 -1.478 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 60 15.615 -2.492 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.949 -4.630 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.990 -4.160 -3.042 1.00 0.00 H new ATOM 922 N GLU A 61 14.682 -1.149 -4.023 1.00 0.00 N ATOM 923 CA GLU A 61 14.871 -0.069 -4.976 1.00 0.00 C ATOM 924 C GLU A 61 14.478 1.262 -4.309 1.00 0.00 C ATOM 925 O GLU A 61 14.896 2.339 -4.730 1.00 0.00 O ATOM 926 CB GLU A 61 13.972 -0.380 -6.173 1.00 0.00 C ATOM 927 CG GLU A 61 14.088 0.609 -7.336 1.00 0.00 C ATOM 928 CD GLU A 61 13.164 0.198 -8.480 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.031 -0.226 -8.159 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.609 0.305 -9.643 1.00 0.00 O ATOM 0 H GLU A 61 13.803 -1.643 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 61 15.907 0.019 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.210 -1.379 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.936 -0.403 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.831 1.612 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.119 0.646 -7.688 1.00 0.00 H new ATOM 937 N SER A 62 13.621 1.209 -3.284 1.00 0.00 N ATOM 938 CA SER A 62 13.162 2.347 -2.505 1.00 0.00 C ATOM 939 C SER A 62 12.976 1.964 -1.028 1.00 0.00 C ATOM 940 O SER A 62 11.875 2.049 -0.489 1.00 0.00 O ATOM 941 CB SER A 62 11.879 2.858 -3.156 1.00 0.00 C ATOM 942 OG SER A 62 12.220 3.428 -4.407 1.00 0.00 O ATOM 0 H SER A 62 13.215 0.329 -2.966 1.00 0.00 H new ATOM 0 HA SER A 62 13.902 3.147 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.169 2.042 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.397 3.599 -2.518 1.00 0.00 H new ATOM 0 HG SER A 62 13.128 3.795 -4.363 1.00 0.00 H new ATOM 948 N PRO A 63 14.073 1.573 -0.363 1.00 0.00 N ATOM 949 CA PRO A 63 14.138 1.174 1.024 1.00 0.00 C ATOM 950 C PRO A 63 14.173 2.418 1.898 1.00 0.00 C ATOM 951 O PRO A 63 13.782 2.355 3.052 1.00 0.00 O ATOM 952 CB PRO A 63 15.445 0.395 1.167 1.00 0.00 C ATOM 953 CG PRO A 63 16.357 1.132 0.187 1.00 0.00 C ATOM 954 CD PRO A 63 15.393 1.483 -0.943 1.00 0.00 C ATOM 0 HA PRO A 63 13.280 0.572 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.830 0.426 2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.326 -0.656 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 63 16.802 2.021 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.178 0.503 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.674 2.427 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.420 0.722 -1.723 1.00 0.00 H new ATOM 962 N ASN A 64 14.679 3.531 1.354 1.00 0.00 N ATOM 963 CA ASN A 64 14.782 4.835 2.007 1.00 0.00 C ATOM 964 C ASN A 64 13.535 5.086 2.852 1.00 0.00 C ATOM 965 O ASN A 64 13.589 5.183 4.077 1.00 0.00 O ATOM 966 CB ASN A 64 14.926 5.949 0.952 1.00 0.00 C ATOM 967 CG ASN A 64 16.091 5.754 -0.015 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.915 4.861 0.151 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.140 6.560 -1.070 1.00 0.00 N ATOM 0 H ASN A 64 15.044 3.544 0.402 1.00 0.00 H new ATOM 0 HA ASN A 64 15.663 4.840 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.001 6.012 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.050 6.903 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.876 6.444 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.442 7.295 -1.183 1.00 0.00 H new ATOM 976 N VAL A 65 12.393 5.116 2.169 1.00 0.00 N ATOM 977 CA VAL A 65 11.087 5.332 2.754 1.00 0.00 C ATOM 978 C VAL A 65 10.818 4.287 3.834 1.00 0.00 C ATOM 979 O VAL A 65 10.471 4.614 4.968 1.00 0.00 O ATOM 980 CB VAL A 65 10.047 5.264 1.627 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.641 5.429 2.198 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.306 6.356 0.580 1.00 0.00 C ATOM 0 H VAL A 65 12.359 4.985 1.158 1.00 0.00 H new ATOM 0 HA VAL A 65 11.033 6.309 3.234 1.00 0.00 H new ATOM 0 HB VAL A 65 10.131 4.289 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.912 5.379 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.443 4.632 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.562 6.394 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.557 6.289 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.247 7.336 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.299 6.220 0.150 1.00 0.00 H new ATOM 992 N ALA A 66 10.975 3.016 3.466 1.00 0.00 N ATOM 993 CA ALA A 66 10.737 1.909 4.384 1.00 0.00 C ATOM 994 C ALA A 66 11.569 2.052 5.665 1.00 0.00 C ATOM 995 O ALA A 66 11.105 1.700 6.745 1.00 0.00 O ATOM 996 CB ALA A 66 11.044 0.591 3.676 1.00 0.00 C ATOM 0 H ALA A 66 11.268 2.729 2.532 1.00 0.00 H new ATOM 0 HA ALA A 66 9.689 1.921 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.867 -0.239 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.398 0.487 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.087 0.583 3.358 1.00 0.00 H new ATOM 1002 N SER A 67 12.787 2.583 5.549 1.00 0.00 N ATOM 1003 CA SER A 67 13.702 2.799 6.657 1.00 0.00 C ATOM 1004 C SER A 67 13.223 3.979 7.497 1.00 0.00 C ATOM 1005 O SER A 67 13.183 3.890 8.720 1.00 0.00 O ATOM 1006 CB SER A 67 15.120 3.033 6.123 1.00 0.00 C ATOM 1007 OG SER A 67 15.481 1.996 5.230 1.00 0.00 O ATOM 0 H SER A 67 13.170 2.882 4.652 1.00 0.00 H new ATOM 0 HA SER A 67 13.723 1.915 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.171 3.996 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.827 3.072 6.952 1.00 0.00 H new ATOM 0 HG SER A 67 14.968 2.086 4.400 1.00 0.00 H new ATOM 1013 N GLU A 68 12.852 5.077 6.834 1.00 0.00 N ATOM 1014 CA GLU A 68 12.323 6.272 7.485 1.00 0.00 C ATOM 1015 C GLU A 68 11.109 5.905 8.344 1.00 0.00 C ATOM 1016 O GLU A 68 10.987 6.373 9.472 1.00 0.00 O ATOM 1017 CB GLU A 68 11.932 7.312 6.426 1.00 0.00 C ATOM 1018 CG GLU A 68 13.155 7.916 5.722 1.00 0.00 C ATOM 1019 CD GLU A 68 12.774 8.531 4.377 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.760 9.262 4.353 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.495 8.253 3.394 1.00 0.00 O ATOM 0 H GLU A 68 12.912 5.159 5.819 1.00 0.00 H new ATOM 0 HA GLU A 68 13.091 6.699 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.283 6.846 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.357 8.109 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.604 8.678 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.908 7.143 5.570 1.00 0.00 H new ATOM 1028 N TYR A 69 10.217 5.065 7.809 1.00 0.00 N ATOM 1029 CA TYR A 69 9.031 4.630 8.538 1.00 0.00 C ATOM 1030 C TYR A 69 9.386 3.525 9.543 1.00 0.00 C ATOM 1031 O TYR A 69 8.764 3.441 10.599 1.00 0.00 O ATOM 1032 CB TYR A 69 7.952 4.189 7.541 1.00 0.00 C ATOM 1033 CG TYR A 69 7.101 5.355 7.066 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.539 6.164 6.000 1.00 0.00 C ATOM 1035 CD2 TYR A 69 6.019 5.782 7.858 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.931 7.409 5.757 1.00 0.00 C ATOM 1037 CE2 TYR A 69 5.406 7.023 7.611 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.888 7.854 6.587 1.00 0.00 C ATOM 1039 OH TYR A 69 5.355 9.098 6.426 1.00 0.00 O ATOM 0 H TYR A 69 10.298 4.674 6.870 1.00 0.00 H new ATOM 0 HA TYR A 69 8.631 5.461 9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.425 3.713 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.312 3.440 8.008 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.346 5.827 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.658 5.154 8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.265 8.022 4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.564 7.337 8.209 1.00 0.00 H new ATOM 0 HH TYR A 69 4.643 9.237 7.085 1.00 0.00 H new ATOM 1049 N GLY A 70 10.369 2.679 9.230 1.00 0.00 N ATOM 1050 CA GLY A 70 10.864 1.643 10.130 1.00 0.00 C ATOM 1051 C GLY A 70 10.117 0.329 9.935 1.00 0.00 C ATOM 1052 O GLY A 70 9.623 -0.273 10.887 1.00 0.00 O ATOM 0 H GLY A 70 10.849 2.697 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.929 1.487 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.755 1.975 11.163 1.00 0.00 H new ATOM 1056 N ILE A 71 10.045 -0.131 8.688 1.00 0.00 N ATOM 1057 CA ILE A 71 9.360 -1.366 8.339 1.00 0.00 C ATOM 1058 C ILE A 71 10.269 -2.553 8.659 1.00 0.00 C ATOM 1059 O ILE A 71 11.281 -2.769 7.996 1.00 0.00 O ATOM 1060 CB ILE A 71 8.951 -1.304 6.862 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.950 -0.145 6.718 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.324 -2.625 6.396 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.410 -0.016 5.301 1.00 0.00 C ATOM 0 H ILE A 71 10.463 0.347 7.890 1.00 0.00 H new ATOM 0 HA ILE A 71 8.450 -1.495 8.925 1.00 0.00 H new ATOM 0 HB ILE A 71 9.828 -1.141 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.120 -0.298 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.435 0.788 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.046 -2.545 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.044 -3.434 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.435 -2.836 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.708 0.817 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.235 0.165 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.899 -0.937 5.021 1.00 0.00 H new ATOM 1075 N ARG A 72 9.884 -3.353 9.656 1.00 0.00 N ATOM 1076 CA ARG A 72 10.667 -4.490 10.109 1.00 0.00 C ATOM 1077 C ARG A 72 10.504 -5.706 9.191 1.00 0.00 C ATOM 1078 O ARG A 72 11.390 -6.557 9.130 1.00 0.00 O ATOM 1079 CB ARG A 72 10.306 -4.833 11.569 1.00 0.00 C ATOM 1080 CG ARG A 72 8.985 -5.588 11.829 1.00 0.00 C ATOM 1081 CD ARG A 72 7.786 -4.730 12.267 1.00 0.00 C ATOM 1082 NE ARG A 72 7.331 -3.748 11.274 1.00 0.00 N ATOM 1083 CZ ARG A 72 6.695 -4.018 10.125 1.00 0.00 C ATOM 1084 NH1 ARG A 72 6.525 -5.271 9.697 1.00 0.00 N ATOM 1085 NH2 ARG A 72 6.222 -3.017 9.383 1.00 0.00 N ATOM 0 H ARG A 72 9.013 -3.224 10.171 1.00 0.00 H new ATOM 0 HA ARG A 72 11.720 -4.211 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.119 -5.430 11.983 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.275 -3.901 12.133 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.710 -6.121 10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.166 -6.341 12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.954 -5.391 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.051 -4.202 13.183 1.00 0.00 H new ATOM 0 HE ARG A 72 7.517 -2.766 11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.883 -6.051 10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.037 -5.448 8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.345 -2.052 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.737 -3.216 8.508 1.00 0.00 H new ATOM 1099 N SER A 73 9.365 -5.835 8.503 1.00 0.00 N ATOM 1100 CA SER A 73 9.076 -6.949 7.608 1.00 0.00 C ATOM 1101 C SER A 73 8.004 -6.506 6.616 1.00 0.00 C ATOM 1102 O SER A 73 7.302 -5.528 6.872 1.00 0.00 O ATOM 1103 CB SER A 73 8.592 -8.169 8.407 1.00 0.00 C ATOM 1104 OG SER A 73 9.454 -8.455 9.491 1.00 0.00 O ATOM 0 H SER A 73 8.608 -5.154 8.557 1.00 0.00 H new ATOM 0 HA SER A 73 9.981 -7.237 7.073 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.585 -7.984 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.533 -9.036 7.749 1.00 0.00 H new ATOM 0 HG SER A 73 9.117 -9.235 9.980 1.00 0.00 H new ATOM 1110 N ILE A 74 7.863 -7.226 5.502 1.00 0.00 N ATOM 1111 CA ILE A 74 6.904 -6.926 4.453 1.00 0.00 C ATOM 1112 C ILE A 74 6.128 -8.209 4.138 1.00 0.00 C ATOM 1113 O ILE A 74 6.657 -9.295 4.375 1.00 0.00 O ATOM 1114 CB ILE A 74 7.638 -6.362 3.219 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.900 -7.159 2.859 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.987 -4.889 3.476 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.374 -6.794 1.450 1.00 0.00 C ATOM 0 H ILE A 74 8.428 -8.052 5.305 1.00 0.00 H new ATOM 0 HA ILE A 74 6.195 -6.162 4.772 1.00 0.00 H new ATOM 0 HB ILE A 74 6.968 -6.449 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.689 -6.950 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.692 -8.228 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.506 -4.481 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.072 -4.323 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.631 -4.815 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.269 -7.366 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.589 -7.026 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.602 -5.729 1.407 1.00 0.00 H new ATOM 1129 N PRO A 75 4.897 -8.119 3.613 1.00 0.00 N ATOM 1130 CA PRO A 75 4.200 -6.896 3.268 1.00 0.00 C ATOM 1131 C PRO A 75 3.623 -6.177 4.478 1.00 0.00 C ATOM 1132 O PRO A 75 3.000 -6.775 5.355 1.00 0.00 O ATOM 1133 CB PRO A 75 3.078 -7.290 2.319 1.00 0.00 C ATOM 1134 CG PRO A 75 2.791 -8.742 2.703 1.00 0.00 C ATOM 1135 CD PRO A 75 4.134 -9.273 3.192 1.00 0.00 C ATOM 0 HA PRO A 75 4.904 -6.198 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.200 -6.658 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.383 -7.202 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.031 -8.805 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.423 -9.314 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.999 -9.972 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.651 -9.813 2.399 1.00 0.00 H new ATOM 1143 N THR A 76 3.841 -4.868 4.470 1.00 0.00 N ATOM 1144 CA THR A 76 3.286 -3.930 5.419 1.00 0.00 C ATOM 1145 C THR A 76 2.517 -2.953 4.546 1.00 0.00 C ATOM 1146 O THR A 76 3.117 -2.123 3.861 1.00 0.00 O ATOM 1147 CB THR A 76 4.380 -3.235 6.245 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.016 -4.163 7.101 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.771 -2.151 7.140 1.00 0.00 C ATOM 0 H THR A 76 4.434 -4.420 3.772 1.00 0.00 H new ATOM 0 HA THR A 76 2.652 -4.410 6.165 1.00 0.00 H new ATOM 0 HB THR A 76 5.091 -2.802 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.859 -4.457 6.697 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.561 -1.670 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.270 -1.407 6.521 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.049 -2.604 7.820 1.00 0.00 H new ATOM 1157 N ILE A 77 1.199 -3.103 4.514 1.00 0.00 N ATOM 1158 CA ILE A 77 0.324 -2.197 3.806 1.00 0.00 C ATOM 1159 C ILE A 77 0.171 -0.993 4.721 1.00 0.00 C ATOM 1160 O ILE A 77 0.049 -1.182 5.930 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.024 -2.885 3.522 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.797 -4.028 2.516 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.039 -1.874 2.971 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.049 -4.877 2.281 1.00 0.00 C ATOM 0 H ILE A 77 0.710 -3.865 4.984 1.00 0.00 H new ATOM 0 HA ILE A 77 0.720 -1.896 2.836 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.429 -3.291 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.466 -3.608 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.007 -4.669 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.986 -2.378 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.194 -1.080 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.659 -1.445 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.824 -5.665 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.367 -5.324 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.848 -4.247 1.890 1.00 0.00 H new ATOM 1176 N MET A 78 0.222 0.226 4.187 1.00 0.00 N ATOM 1177 CA MET A 78 -0.015 1.435 4.959 1.00 0.00 C ATOM 1178 C MET A 78 -1.023 2.294 4.223 1.00 0.00 C ATOM 1179 O MET A 78 -1.065 2.310 2.993 1.00 0.00 O ATOM 1180 CB MET A 78 1.249 2.259 5.184 1.00 0.00 C ATOM 1181 CG MET A 78 2.388 1.490 5.851 1.00 0.00 C ATOM 1182 SD MET A 78 3.728 2.560 6.429 1.00 0.00 S ATOM 1183 CE MET A 78 4.713 1.333 7.304 1.00 0.00 C ATOM 0 H MET A 78 0.430 0.399 3.203 1.00 0.00 H new ATOM 0 HA MET A 78 -0.382 1.125 5.937 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.596 2.640 4.224 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.001 3.124 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.992 0.927 6.696 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.790 0.764 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.674 1.767 7.580 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.185 1.017 8.204 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.877 0.470 6.658 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.809 3.022 5.006 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.790 3.970 4.522 1.00 0.00 C ATOM 1195 C VAL A 79 -2.189 5.344 4.751 1.00 0.00 C ATOM 1196 O VAL A 79 -1.757 5.629 5.867 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.122 3.827 5.273 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.063 4.997 4.939 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.793 2.495 4.917 1.00 0.00 C ATOM 0 H VAL A 79 -1.776 2.963 6.024 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.013 3.800 3.469 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.914 3.844 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.001 4.876 5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.593 5.936 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.263 5.009 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.736 2.407 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.984 2.459 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.137 1.671 5.197 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.164 6.169 3.709 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.721 7.548 3.746 1.00 0.00 C ATOM 1211 C PHE A 80 -2.923 8.410 3.402 1.00 0.00 C ATOM 1212 O PHE A 80 -3.776 8.011 2.609 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.548 7.771 2.788 1.00 0.00 C ATOM 1214 CG PHE A 80 0.792 7.338 3.350 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.141 5.975 3.399 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.714 8.310 3.779 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.396 5.589 3.901 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.959 7.920 4.301 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.294 6.557 4.376 1.00 0.00 C ATOM 0 H PHE A 80 -2.466 5.877 2.779 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.348 7.817 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.737 7.225 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.498 8.829 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.445 5.226 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.464 9.358 3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.670 4.544 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.659 8.668 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.241 6.255 4.799 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.994 9.581 4.035 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.115 10.509 3.876 1.00 0.00 C ATOM 1231 C LYS A 81 -3.622 11.944 3.695 1.00 0.00 C ATOM 1232 O LYS A 81 -4.388 12.898 3.805 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.051 10.364 5.089 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.592 11.056 6.386 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.109 10.846 6.723 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.767 11.386 8.116 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.265 10.507 9.187 1.00 0.00 N ATOM 0 H LYS A 81 -2.273 9.914 4.675 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.673 10.264 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.029 10.760 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.183 9.302 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.786 12.125 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.197 10.687 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.871 9.783 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.491 11.345 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.686 11.493 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.197 12.381 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.404 11.062 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.170 10.085 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.573 9.752 9.366 1.00 0.00 H new ATOM 1251 N GLY A 82 -2.321 12.085 3.450 1.00 0.00 N ATOM 1252 CA GLY A 82 -1.624 13.337 3.315 1.00 0.00 C ATOM 1253 C GLY A 82 -0.144 12.996 3.415 1.00 0.00 C ATOM 1254 O GLY A 82 0.225 11.835 3.226 1.00 0.00 O ATOM 0 H GLY A 82 -1.704 11.281 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.853 13.812 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.919 14.036 4.098 1.00 0.00 H new ATOM 1258 N GLY A 83 0.691 13.946 3.837 1.00 0.00 N ATOM 1259 CA GLY A 83 2.126 13.729 3.977 1.00 0.00 C ATOM 1260 C GLY A 83 2.528 12.799 5.127 1.00 0.00 C ATOM 1261 O GLY A 83 3.676 12.847 5.563 1.00 0.00 O ATOM 0 H GLY A 83 0.389 14.887 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.509 13.316 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.612 14.694 4.122 1.00 0.00 H new ATOM 1265 N LYS A 84 1.612 11.964 5.627 1.00 0.00 N ATOM 1266 CA LYS A 84 1.834 11.010 6.697 1.00 0.00 C ATOM 1267 C LYS A 84 0.837 9.860 6.540 1.00 0.00 C ATOM 1268 O LYS A 84 -0.178 9.973 5.834 1.00 0.00 O ATOM 1269 CB LYS A 84 1.650 11.656 8.080 1.00 0.00 C ATOM 1270 CG LYS A 84 2.641 12.790 8.368 1.00 0.00 C ATOM 1271 CD LYS A 84 2.547 13.221 9.837 1.00 0.00 C ATOM 1272 CE LYS A 84 3.465 14.413 10.135 1.00 0.00 C ATOM 1273 NZ LYS A 84 4.884 14.089 9.905 1.00 0.00 N ATOM 0 H LYS A 84 0.655 11.940 5.275 1.00 0.00 H new ATOM 0 HA LYS A 84 2.860 10.648 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.635 12.045 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.757 10.889 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.656 12.461 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.430 13.640 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.517 13.486 10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.816 12.384 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.179 15.256 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.328 14.726 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.478 14.872 10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.129 13.219 10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.047 13.947 8.888 1.00 0.00 H new ATOM 1287 N LYS A 85 1.160 8.757 7.218 1.00 0.00 N ATOM 1288 CA LYS A 85 0.340 7.563 7.236 1.00 0.00 C ATOM 1289 C LYS A 85 -0.831 7.753 8.206 1.00 0.00 C ATOM 1290 O LYS A 85 -0.961 8.793 8.851 1.00 0.00 O ATOM 1291 CB LYS A 85 1.185 6.331 7.594 1.00 0.00 C ATOM 1292 CG LYS A 85 1.666 6.299 9.052 1.00 0.00 C ATOM 1293 CD LYS A 85 2.349 4.965 9.385 1.00 0.00 C ATOM 1294 CE LYS A 85 1.399 3.757 9.353 1.00 0.00 C ATOM 1295 NZ LYS A 85 0.242 3.927 10.250 1.00 0.00 N ATOM 0 H LYS A 85 2.011 8.676 7.774 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.070 7.392 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.599 5.433 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.053 6.296 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.362 7.120 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.819 6.453 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.160 4.796 8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.799 5.035 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.045 3.604 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.948 2.859 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.295 3.037 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.575 4.181 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.372 4.683 9.885 1.00 0.00 H new ATOM 1309 N CYS A 86 -1.668 6.725 8.334 1.00 0.00 N ATOM 1310 CA CYS A 86 -2.811 6.702 9.236 1.00 0.00 C ATOM 1311 C CYS A 86 -2.896 5.329 9.893 1.00 0.00 C ATOM 1312 O CYS A 86 -2.665 5.191 11.091 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.089 7.017 8.457 1.00 0.00 C ATOM 1314 SG CYS A 86 -5.483 6.949 9.603 1.00 0.00 S ATOM 0 H CYS A 86 -1.564 5.864 7.798 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.693 7.458 10.013 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.021 8.004 8.000 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.227 6.300 7.648 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.583 7.216 8.964 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.173 4.312 9.078 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.306 2.918 9.477 1.00 0.00 C ATOM 1322 C GLU A 87 -2.288 2.064 8.721 1.00 0.00 C ATOM 1323 O GLU A 87 -1.636 2.547 7.794 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.737 2.454 9.173 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.751 3.061 10.155 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.694 2.398 11.530 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.822 1.153 11.567 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.523 3.143 12.518 1.00 0.00 O ATOM 0 H GLU A 87 -3.317 4.447 8.077 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.113 2.812 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.003 2.737 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.786 1.366 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.557 4.128 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.756 2.958 9.746 1.00 0.00 H new ATOM 1335 N THR A 88 -2.148 0.796 9.121 1.00 0.00 N ATOM 1336 CA THR A 88 -1.247 -0.154 8.492 1.00 0.00 C ATOM 1337 C THR A 88 -1.737 -1.571 8.785 1.00 0.00 C ATOM 1338 O THR A 88 -2.423 -1.776 9.785 1.00 0.00 O ATOM 1339 CB THR A 88 0.199 0.100 8.962 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.091 -0.852 8.424 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.337 0.050 10.488 1.00 0.00 C ATOM 0 H THR A 88 -2.669 0.402 9.904 1.00 0.00 H new ATOM 0 HA THR A 88 -1.244 -0.027 7.409 1.00 0.00 H new ATOM 0 HB THR A 88 0.447 1.100 8.607 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.788 -1.116 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.375 0.235 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.300 0.812 10.936 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.035 -0.933 10.849 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.440 -2.522 7.898 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.862 -3.910 7.997 1.00 0.00 C ATOM 1351 C ILE A 89 -0.700 -4.783 7.543 1.00 0.00 C ATOM 1352 O ILE A 89 0.077 -4.377 6.683 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.075 -4.214 7.079 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.882 -2.962 6.699 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.968 -5.253 7.774 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.950 -3.235 5.633 1.00 0.00 C ATOM 0 H ILE A 89 -0.881 -2.336 7.066 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.154 -4.109 9.028 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.692 -4.609 6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.362 -2.562 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.200 -2.195 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.826 -5.477 7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.397 -6.165 7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.315 -4.855 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.485 -2.312 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.473 -3.607 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.653 -3.980 6.005 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.603 -5.991 8.088 1.00 0.00 N ATOM 1369 CA ILE A 90 0.344 -6.979 7.598 1.00 0.00 C ATOM 1370 C ILE A 90 -0.354 -7.547 6.363 1.00 0.00 C ATOM 1371 O ILE A 90 -1.470 -8.050 6.471 1.00 0.00 O ATOM 1372 CB ILE A 90 0.634 -8.046 8.670 1.00 0.00 C ATOM 1373 CG1 ILE A 90 1.327 -7.379 9.873 1.00 0.00 C ATOM 1374 CG2 ILE A 90 1.526 -9.150 8.079 1.00 0.00 C ATOM 1375 CD1 ILE A 90 1.535 -8.333 11.053 1.00 0.00 C ATOM 0 H ILE A 90 -1.173 -6.308 8.873 1.00 0.00 H new ATOM 0 HA ILE A 90 1.325 -6.569 7.358 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.300 -8.499 9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.293 -6.987 9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.730 -6.528 10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.728 -9.902 8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.017 -9.616 7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.466 -8.715 7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.028 -7.802 11.868 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.569 -8.706 11.394 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.157 -9.171 10.738 1.00 0.00 H new ATOM 1387 N GLY A 91 0.261 -7.423 5.187 1.00 0.00 N ATOM 1388 CA GLY A 91 -0.380 -7.804 3.938 1.00 0.00 C ATOM 1389 C GLY A 91 -0.787 -9.273 3.873 1.00 0.00 C ATOM 1390 O GLY A 91 -1.807 -9.584 3.266 1.00 0.00 O ATOM 0 H GLY A 91 1.208 -7.059 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.266 -7.185 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.299 -7.589 3.113 1.00 0.00 H new ATOM 1394 N ALA A 92 0.006 -10.173 4.467 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.245 -11.610 4.475 1.00 0.00 C ATOM 1396 C ALA A 92 -1.509 -11.996 5.265 1.00 0.00 C ATOM 1397 O ALA A 92 -1.415 -12.675 6.286 1.00 0.00 O ATOM 1398 CB ALA A 92 0.992 -12.304 5.059 1.00 0.00 C ATOM 0 H ALA A 92 0.857 -9.912 4.965 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.427 -11.935 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.830 -13.382 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.862 -12.077 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.164 -11.947 6.074 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.690 -11.596 4.786 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.996 -11.923 5.342 1.00 0.00 C ATOM 1406 C VAL A 93 -4.967 -12.058 4.157 1.00 0.00 C ATOM 1407 O VAL A 93 -4.701 -11.480 3.102 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.469 -10.846 6.340 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.555 -10.762 7.569 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.594 -9.456 5.704 1.00 0.00 C ATOM 0 H VAL A 93 -2.759 -11.005 3.957 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.950 -12.855 5.906 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.463 -11.164 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.925 -9.991 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.548 -11.723 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.542 -10.512 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.930 -8.741 6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.624 -9.145 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.317 -9.493 4.889 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.066 -12.822 4.279 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.018 -13.001 3.191 1.00 0.00 C ATOM 1422 C PRO A 94 -7.628 -11.692 2.676 1.00 0.00 C ATOM 1423 O PRO A 94 -7.762 -10.714 3.414 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.122 -13.904 3.747 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.421 -14.688 4.853 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.407 -13.685 5.401 1.00 0.00 C ATOM 0 HA PRO A 94 -6.502 -13.430 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.958 -13.322 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.524 -14.565 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.121 -15.014 5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.934 -15.583 4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.830 -13.109 6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.523 -14.192 5.788 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.071 -11.715 1.414 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.734 -10.597 0.755 1.00 0.00 C ATOM 1436 C LYS A 95 -9.893 -10.107 1.622 1.00 0.00 C ATOM 1437 O LYS A 95 -10.099 -8.908 1.756 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.249 -11.039 -0.624 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.902 -9.865 -1.370 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.508 -10.314 -2.702 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.261 -9.137 -3.332 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.980 -9.542 -4.551 1.00 0.00 N ATOM 0 H LYS A 95 -7.974 -12.533 0.813 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.024 -9.781 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.423 -11.436 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.972 -11.846 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.679 -9.423 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.159 -9.089 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.723 -10.661 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.186 -11.153 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.969 -8.729 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.557 -8.341 -3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.545 -8.743 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.295 -9.828 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.609 -10.342 -4.334 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.661 -11.037 2.191 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.775 -10.714 3.072 1.00 0.00 C ATOM 1458 C ALA A 96 -11.303 -9.783 4.193 1.00 0.00 C ATOM 1459 O ALA A 96 -11.914 -8.747 4.451 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.362 -12.006 3.647 1.00 0.00 C ATOM 0 H ALA A 96 -10.524 -12.038 2.051 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.551 -10.199 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.196 -11.765 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.715 -12.639 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.594 -12.535 4.212 1.00 0.00 H new ATOM 1466 N THR A 97 -10.197 -10.144 4.848 1.00 0.00 N ATOM 1467 CA THR A 97 -9.616 -9.353 5.915 1.00 0.00 C ATOM 1468 C THR A 97 -9.217 -7.983 5.367 1.00 0.00 C ATOM 1469 O THR A 97 -9.551 -6.968 5.976 1.00 0.00 O ATOM 1470 CB THR A 97 -8.420 -10.111 6.505 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.777 -11.472 6.659 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.016 -9.539 7.866 1.00 0.00 C ATOM 0 H THR A 97 -9.682 -11.001 4.645 1.00 0.00 H new ATOM 0 HA THR A 97 -10.338 -9.191 6.716 1.00 0.00 H new ATOM 0 HB THR A 97 -7.572 -10.008 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.286 -11.856 7.415 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.166 -10.098 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.740 -8.491 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.854 -9.621 8.558 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.524 -7.949 4.221 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.124 -6.692 3.592 1.00 0.00 C ATOM 1482 C ILE A 98 -9.364 -5.808 3.396 1.00 0.00 C ATOM 1483 O ILE A 98 -9.403 -4.690 3.900 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.384 -6.956 2.261 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.069 -7.737 2.449 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -7.093 -5.627 1.546 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.000 -7.025 3.287 1.00 0.00 C ATOM 0 H ILE A 98 -8.230 -8.783 3.712 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.425 -6.164 4.240 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.045 -7.575 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.298 -8.694 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.651 -7.955 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.571 -5.824 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.031 -5.113 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.470 -5.000 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.115 -7.656 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.734 -6.081 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.390 -6.831 4.286 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.380 -6.313 2.691 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.637 -5.627 2.420 1.00 0.00 C ATOM 1501 C VAL A 99 -12.204 -5.059 3.718 1.00 0.00 C ATOM 1502 O VAL A 99 -12.395 -3.851 3.823 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.623 -6.605 1.745 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -14.075 -6.106 1.758 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -12.212 -6.841 0.287 1.00 0.00 C ATOM 0 H VAL A 99 -10.344 -7.246 2.280 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.469 -4.794 1.738 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.578 -7.527 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.716 -6.839 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.403 -5.968 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.138 -5.157 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.913 -7.532 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -12.222 -5.893 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.209 -7.266 0.256 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.456 -5.911 4.715 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.021 -5.468 5.983 1.00 0.00 C ATOM 1517 C GLN A 100 -12.183 -4.345 6.601 1.00 0.00 C ATOM 1518 O GLN A 100 -12.723 -3.316 7.011 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.123 -6.666 6.937 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.241 -7.638 6.525 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.638 -7.018 6.526 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.483 -7.383 5.718 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -15.903 -6.070 7.421 1.00 0.00 N ATOM 0 H GLN A 100 -12.275 -6.914 4.664 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.018 -5.065 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.171 -7.196 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.309 -6.308 7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.026 -8.021 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.234 -8.492 7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.185 -5.781 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.824 -5.633 7.443 1.00 0.00 H new ATOM 1532 N THR A 101 -10.866 -4.543 6.657 1.00 0.00 N ATOM 1533 CA THR A 101 -9.942 -3.570 7.224 1.00 0.00 C ATOM 1534 C THR A 101 -9.998 -2.251 6.440 1.00 0.00 C ATOM 1535 O THR A 101 -9.938 -1.187 7.046 1.00 0.00 O ATOM 1536 CB THR A 101 -8.527 -4.162 7.274 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.555 -5.393 7.968 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.569 -3.236 8.025 1.00 0.00 C ATOM 0 H THR A 101 -10.412 -5.387 6.308 1.00 0.00 H new ATOM 0 HA THR A 101 -10.238 -3.340 8.247 1.00 0.00 H new ATOM 0 HB THR A 101 -8.186 -4.292 6.247 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.989 -6.073 7.411 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.574 -3.681 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.525 -2.271 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.924 -3.096 9.046 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.119 -2.289 5.111 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.249 -1.071 4.320 1.00 0.00 C ATOM 1548 C VAL A 102 -11.573 -0.395 4.672 1.00 0.00 C ATOM 1549 O VAL A 102 -11.591 0.770 5.067 1.00 0.00 O ATOM 1550 CB VAL A 102 -10.147 -1.396 2.816 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.547 -0.197 1.944 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.710 -1.782 2.453 1.00 0.00 C ATOM 0 H VAL A 102 -10.129 -3.150 4.564 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.437 -0.382 4.551 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.831 -2.223 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.461 -0.468 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.577 0.085 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.887 0.644 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.652 -2.009 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.041 -0.953 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.413 -2.659 3.028 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.672 -1.140 4.539 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.028 -0.674 4.772 1.00 0.00 C ATOM 1564 C GLU A 103 -14.125 0.161 6.040 1.00 0.00 C ATOM 1565 O GLU A 103 -14.487 1.328 5.951 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.985 -1.871 4.822 1.00 0.00 C ATOM 1567 CG GLU A 103 -15.268 -2.432 3.421 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.098 -1.493 2.547 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.869 -0.690 3.116 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.941 -1.604 1.311 1.00 0.00 O ATOM 0 H GLU A 103 -12.634 -2.119 4.256 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.316 -0.026 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.556 -2.654 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.922 -1.568 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.321 -2.638 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.791 -3.383 3.518 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.737 -0.402 7.187 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.836 0.296 8.471 1.00 0.00 C ATOM 1579 C LYS A 104 -13.171 1.684 8.466 1.00 0.00 C ATOM 1580 O LYS A 104 -13.542 2.540 9.266 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.247 -0.569 9.596 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.792 -0.963 9.339 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.986 -1.199 10.617 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.552 -2.359 11.442 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.712 -2.632 12.622 1.00 0.00 N ATOM 0 H LYS A 104 -13.350 -1.343 7.252 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.899 0.462 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.310 -0.025 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.849 -1.471 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.771 -1.869 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.310 -0.179 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.948 -1.410 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.986 -0.291 11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.567 -2.121 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.615 -3.253 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.119 -3.422 13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.751 -2.882 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.673 -1.785 13.224 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.162 1.914 7.615 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.474 3.196 7.553 1.00 0.00 C ATOM 1601 C TYR A 105 -12.242 4.189 6.673 1.00 0.00 C ATOM 1602 O TYR A 105 -12.035 5.395 6.790 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.050 2.996 7.016 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.195 1.934 7.683 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.280 1.704 9.070 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.181 1.305 6.936 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.386 0.819 9.694 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -7.271 0.439 7.566 1.00 0.00 C ATOM 1609 CZ TYR A 105 -7.385 0.183 8.941 1.00 0.00 C ATOM 1610 OH TYR A 105 -6.435 -0.564 9.568 1.00 0.00 O ATOM 0 H TYR A 105 -11.807 1.219 6.958 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.422 3.611 8.560 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.121 2.754 5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.525 3.948 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.034 2.209 9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.102 1.489 5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.468 0.627 10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.485 -0.029 6.992 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.058 -0.054 10.315 1.00 0.00 H new ATOM 1620 N LEU A 106 -13.102 3.691 5.779 1.00 0.00 N ATOM 1621 CA LEU A 106 -13.899 4.491 4.861 1.00 0.00 C ATOM 1622 C LEU A 106 -15.296 4.751 5.426 1.00 0.00 C ATOM 1623 O LEU A 106 -15.829 5.847 5.258 1.00 0.00 O ATOM 1624 CB LEU A 106 -13.998 3.776 3.504 1.00 0.00 C ATOM 1625 CG LEU A 106 -12.638 3.475 2.847 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -12.870 2.735 1.525 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -11.828 4.748 2.575 1.00 0.00 C ATOM 0 H LEU A 106 -13.263 2.689 5.676 1.00 0.00 H new ATOM 0 HA LEU A 106 -13.408 5.455 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -14.539 2.839 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.589 4.391 2.825 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.065 2.860 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.910 2.519 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.397 1.801 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.468 3.358 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.878 4.483 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.389 5.400 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.641 5.268 3.515 1.00 0.00 H new ATOM 1639 N ASN A 107 -15.899 3.751 6.068 1.00 0.00 N ATOM 1640 CA ASN A 107 -17.246 3.814 6.618 1.00 0.00 C ATOM 1641 C ASN A 107 -17.431 2.721 7.668 1.00 0.00 C ATOM 1642 O ASN A 107 -16.883 1.619 7.442 1.00 0.00 O ATOM 1643 CB ASN A 107 -18.294 3.671 5.498 1.00 0.00 C ATOM 1644 CG ASN A 107 -18.045 2.556 4.472 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -18.337 2.739 3.294 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -17.519 1.401 4.866 1.00 0.00 N ATOM 1647 OXT ASN A 107 -18.146 2.991 8.655 1.00 0.00 O ATOM 0 H ASN A 107 -15.447 2.850 6.223 1.00 0.00 H new ATOM 0 HA ASN A 107 -17.387 4.785 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -19.267 3.500 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -18.356 4.619 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -17.355 0.658 4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -17.279 1.258 5.847 1.00 0.00 H new TER 1654 ASN A 107