USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 32 TYR OH : rot -47:sc= -3.83! USER MOD Set 1.2: A 65 HIS : no HD1:sc= -8.72! C(o=-13!,f=-16!) USER MOD Set 2.1: A 20 TYR OH : rot 90:sc= 0.068 USER MOD Set 2.2: A 62 ASN : amide:sc= -1.46! X(o=-1.4!,f=-1.1) USER MOD Set 3.1: A 6 SER OG : rot -155:sc= 0.00156 USER MOD Set 3.2: A 48 MET CE :methyl -132:sc= -0.223 (180deg=-1.73!) USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.0872 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 107:sc= -0.528! USER MOD Single : A 11 ASN : amide:sc= -1.08 K(o=-1.1,f=-5!) USER MOD Single : A 25 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.71) USER MOD Single : A 26 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -44:sc= 0.0428 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.81 K(o=-1.8,f=-14!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.4!) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.082 (180deg=-0.531) USER MOD Single : A 64 SER OG : rot 43:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.855 -6.166 -4.176 1.00 0.00 N ATOM 31 CA THR A 3 3.797 -6.445 -5.606 1.00 0.00 C ATOM 32 C THR A 3 3.491 -7.914 -5.852 1.00 0.00 C ATOM 33 O THR A 3 4.142 -8.795 -5.296 1.00 0.00 O ATOM 34 CB THR A 3 5.135 -6.086 -6.258 1.00 0.00 C ATOM 35 OG1 THR A 3 5.385 -4.698 -6.090 1.00 0.00 O ATOM 36 CG2 THR A 3 5.091 -6.431 -7.747 1.00 0.00 C ATOM 0 HA THR A 3 3.002 -5.842 -6.045 1.00 0.00 H new ATOM 0 HB THR A 3 5.935 -6.655 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.988 -4.394 -5.247 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.045 -6.174 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.905 -7.498 -7.868 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.292 -5.867 -8.228 1.00 0.00 H new ATOM 44 N PHE A 4 2.487 -8.170 -6.683 1.00 0.00 N ATOM 45 CA PHE A 4 2.091 -9.537 -6.990 1.00 0.00 C ATOM 46 C PHE A 4 2.504 -9.909 -8.413 1.00 0.00 C ATOM 47 O PHE A 4 2.380 -9.104 -9.336 1.00 0.00 O ATOM 48 CB PHE A 4 0.576 -9.674 -6.849 1.00 0.00 C ATOM 49 CG PHE A 4 0.169 -9.412 -5.418 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.271 -8.139 -5.034 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.230 -10.445 -4.474 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.649 -7.899 -3.707 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.148 -10.204 -3.148 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.587 -8.932 -2.764 1.00 0.00 C ATOM 0 H PHE A 4 1.936 -7.452 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 4 2.590 -10.210 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.075 -8.971 -7.514 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.263 -10.674 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.319 -7.342 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.569 -11.427 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.988 -6.917 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.101 -11.001 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.878 -8.747 -1.740 1.00 0.00 H new ATOM 64 N THR A 5 3.008 -11.130 -8.582 1.00 0.00 N ATOM 65 CA THR A 5 3.449 -11.585 -9.898 1.00 0.00 C ATOM 66 C THR A 5 3.017 -13.023 -10.157 1.00 0.00 C ATOM 67 O THR A 5 2.736 -13.780 -9.227 1.00 0.00 O ATOM 68 CB THR A 5 4.971 -11.494 -9.999 1.00 0.00 C ATOM 69 OG1 THR A 5 5.374 -11.791 -11.328 1.00 0.00 O ATOM 70 CG2 THR A 5 5.609 -12.494 -9.034 1.00 0.00 C ATOM 0 H THR A 5 3.120 -11.814 -7.834 1.00 0.00 H new ATOM 0 HA THR A 5 2.987 -10.941 -10.646 1.00 0.00 H new ATOM 0 HB THR A 5 5.293 -10.486 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.350 -11.731 -11.395 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.695 -12.428 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.299 -12.264 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.289 -13.503 -9.292 1.00 0.00 H new ATOM 78 N SER A 6 2.970 -13.388 -11.434 1.00 0.00 N ATOM 79 CA SER A 6 2.574 -14.737 -11.817 1.00 0.00 C ATOM 80 C SER A 6 3.179 -15.134 -13.157 1.00 0.00 C ATOM 81 O SER A 6 3.638 -14.286 -13.922 1.00 0.00 O ATOM 82 CB SER A 6 1.050 -14.834 -11.893 1.00 0.00 C ATOM 83 OG SER A 6 0.580 -14.010 -12.953 1.00 0.00 O ATOM 0 H SER A 6 3.199 -12.774 -12.215 1.00 0.00 H new ATOM 0 HA SER A 6 2.948 -15.423 -11.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.748 -15.868 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.606 -14.520 -10.948 1.00 0.00 H new ATOM 0 HG SER A 6 -0.347 -13.746 -12.776 1.00 0.00 H new ATOM 89 N ILE A 7 3.173 -16.435 -13.427 1.00 0.00 N ATOM 90 CA ILE A 7 3.718 -16.967 -14.666 1.00 0.00 C ATOM 91 C ILE A 7 3.017 -18.280 -14.997 1.00 0.00 C ATOM 92 O ILE A 7 2.471 -18.928 -14.105 1.00 0.00 O ATOM 93 CB ILE A 7 5.217 -17.207 -14.501 1.00 0.00 C ATOM 94 CG1 ILE A 7 5.864 -17.395 -15.872 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.441 -18.463 -13.660 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.378 -17.253 -15.730 1.00 0.00 C ATOM 0 H ILE A 7 2.793 -17.143 -12.798 1.00 0.00 H new ATOM 0 HA ILE A 7 3.558 -16.256 -15.476 1.00 0.00 H new ATOM 0 HB ILE A 7 5.666 -16.347 -14.004 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.614 -18.376 -16.275 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.480 -16.655 -16.574 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.511 -18.636 -13.541 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.984 -18.331 -12.679 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.988 -19.320 -14.158 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.849 -17.386 -16.704 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.616 -16.262 -15.344 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.751 -18.010 -15.040 1.00 0.00 H new ATOM 108 N VAL A 8 3.016 -18.678 -16.266 1.00 0.00 N ATOM 109 CA VAL A 8 2.352 -19.924 -16.633 1.00 0.00 C ATOM 110 C VAL A 8 3.341 -21.083 -16.686 1.00 0.00 C ATOM 111 O VAL A 8 4.114 -21.221 -17.634 1.00 0.00 O ATOM 112 CB VAL A 8 1.671 -19.778 -17.993 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.011 -21.106 -18.369 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.605 -18.685 -17.912 1.00 0.00 C ATOM 0 H VAL A 8 3.454 -18.173 -17.037 1.00 0.00 H new ATOM 0 HA VAL A 8 1.605 -20.139 -15.869 1.00 0.00 H new ATOM 0 HB VAL A 8 2.410 -19.509 -18.748 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.523 -21.008 -19.339 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.769 -21.887 -18.421 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.270 -21.370 -17.615 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.118 -18.579 -18.881 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.137 -18.955 -17.161 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.073 -17.740 -17.636 1.00 0.00 H new ATOM 124 N THR A 9 3.275 -21.928 -15.667 1.00 0.00 N ATOM 125 CA THR A 9 4.130 -23.107 -15.582 1.00 0.00 C ATOM 126 C THR A 9 3.425 -24.163 -14.750 1.00 0.00 C ATOM 127 O THR A 9 2.698 -23.820 -13.817 1.00 0.00 O ATOM 128 CB THR A 9 5.458 -22.755 -14.909 1.00 0.00 C ATOM 129 OG1 THR A 9 6.377 -23.823 -15.095 1.00 0.00 O ATOM 130 CG2 THR A 9 5.223 -22.546 -13.409 1.00 0.00 C ATOM 0 H THR A 9 2.634 -21.819 -14.881 1.00 0.00 H new ATOM 0 HA THR A 9 4.327 -23.478 -16.588 1.00 0.00 H new ATOM 0 HB THR A 9 5.862 -21.843 -15.349 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.229 -23.600 -14.666 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.167 -22.295 -12.924 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.512 -21.733 -13.262 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.823 -23.461 -12.972 1.00 0.00 H new ATOM 138 N THR A 10 3.646 -25.441 -15.033 1.00 0.00 N ATOM 139 CA THR A 10 3.005 -26.448 -14.206 1.00 0.00 C ATOM 140 C THR A 10 3.966 -27.573 -13.838 1.00 0.00 C ATOM 141 O THR A 10 4.108 -28.551 -14.572 1.00 0.00 O ATOM 142 CB THR A 10 1.816 -27.038 -14.960 1.00 0.00 C ATOM 143 OG1 THR A 10 1.331 -28.175 -14.259 1.00 0.00 O ATOM 144 CG2 THR A 10 2.258 -27.452 -16.366 1.00 0.00 C ATOM 0 H THR A 10 4.234 -25.791 -15.790 1.00 0.00 H new ATOM 0 HA THR A 10 2.677 -25.965 -13.285 1.00 0.00 H new ATOM 0 HB THR A 10 1.024 -26.292 -15.035 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.480 -27.954 -13.826 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.409 -27.873 -16.905 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.631 -26.579 -16.902 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.049 -28.199 -16.294 1.00 0.00 H new ATOM 152 N ASN A 11 4.622 -27.421 -12.692 1.00 0.00 N ATOM 153 CA ASN A 11 5.570 -28.424 -12.227 1.00 0.00 C ATOM 154 C ASN A 11 5.845 -28.266 -10.735 1.00 0.00 C ATOM 155 O ASN A 11 6.993 -28.339 -10.298 1.00 0.00 O ATOM 156 CB ASN A 11 6.882 -28.297 -13.003 1.00 0.00 C ATOM 157 CG ASN A 11 7.412 -26.871 -12.897 1.00 0.00 C ATOM 158 OD1 ASN A 11 7.213 -26.208 -11.880 1.00 0.00 O ATOM 159 ND2 ASN A 11 8.077 -26.357 -13.896 1.00 0.00 N ATOM 0 H ASN A 11 4.515 -26.618 -12.072 1.00 0.00 H new ATOM 0 HA ASN A 11 5.135 -29.409 -12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.617 -28.998 -12.608 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.723 -28.558 -14.049 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.433 -25.403 -13.835 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.240 -26.909 -14.738 1.00 0.00 H new ATOM 246 N GLU A 18 2.458 -23.031 -1.989 1.00 0.00 N ATOM 247 CA GLU A 18 2.259 -22.217 -3.182 1.00 0.00 C ATOM 248 C GLU A 18 0.790 -22.240 -3.588 1.00 0.00 C ATOM 249 O GLU A 18 0.119 -23.263 -3.444 1.00 0.00 O ATOM 250 CB GLU A 18 3.122 -22.740 -4.332 1.00 0.00 C ATOM 251 CG GLU A 18 4.596 -22.693 -3.925 1.00 0.00 C ATOM 252 CD GLU A 18 5.011 -21.251 -3.650 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.455 -20.365 -4.278 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.879 -21.054 -2.815 1.00 0.00 O ATOM 0 HA GLU A 18 2.554 -21.192 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.835 -23.762 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.961 -22.137 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.757 -23.303 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.215 -23.114 -4.717 1.00 0.00 H new ATOM 261 N PHE A 19 0.288 -21.122 -4.099 1.00 0.00 N ATOM 262 CA PHE A 19 -1.105 -21.062 -4.520 1.00 0.00 C ATOM 263 C PHE A 19 -1.188 -21.032 -6.041 1.00 0.00 C ATOM 264 O PHE A 19 -0.615 -20.154 -6.685 1.00 0.00 O ATOM 265 CB PHE A 19 -1.787 -19.819 -3.946 1.00 0.00 C ATOM 266 CG PHE A 19 -3.272 -19.905 -4.211 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.108 -20.536 -3.281 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.812 -19.364 -5.384 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.484 -20.624 -3.524 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.188 -19.454 -5.627 1.00 0.00 C ATOM 271 CZ PHE A 19 -6.024 -20.085 -4.696 1.00 0.00 C ATOM 0 H PHE A 19 0.815 -20.259 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.616 -21.949 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.599 -19.748 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.375 -18.919 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.691 -20.955 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.167 -18.877 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.129 -21.108 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.605 -19.037 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.085 -20.155 -4.884 1.00 0.00 H new ATOM 281 N TYR A 20 -1.901 -21.996 -6.609 1.00 0.00 N ATOM 282 CA TYR A 20 -2.045 -22.065 -8.056 1.00 0.00 C ATOM 283 C TYR A 20 -3.509 -22.189 -8.451 1.00 0.00 C ATOM 284 O TYR A 20 -4.287 -22.873 -7.784 1.00 0.00 O ATOM 285 CB TYR A 20 -1.260 -23.258 -8.600 1.00 0.00 C ATOM 286 CG TYR A 20 0.199 -23.086 -8.260 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.976 -24.196 -7.902 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.777 -21.814 -8.302 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.330 -24.027 -7.587 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.128 -21.647 -7.989 1.00 0.00 C ATOM 291 CZ TYR A 20 2.907 -22.753 -7.631 1.00 0.00 C ATOM 292 OH TYR A 20 4.241 -22.588 -7.322 1.00 0.00 O ATOM 0 H TYR A 20 -2.384 -22.733 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.650 -21.144 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.639 -24.185 -8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.388 -23.331 -9.680 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.531 -25.180 -7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.178 -20.959 -8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.930 -24.881 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.572 -20.663 -8.023 1.00 0.00 H new ATOM 0 HH TYR A 20 4.779 -22.681 -8.136 1.00 0.00 H new ATOM 302 N VAL A 21 -3.881 -21.522 -9.537 1.00 0.00 N ATOM 303 CA VAL A 21 -5.256 -21.565 -10.011 1.00 0.00 C ATOM 304 C VAL A 21 -5.404 -22.603 -11.115 1.00 0.00 C ATOM 305 O VAL A 21 -4.754 -22.510 -12.158 1.00 0.00 O ATOM 306 CB VAL A 21 -5.666 -20.192 -10.548 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.105 -20.254 -11.066 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.572 -19.153 -9.430 1.00 0.00 C ATOM 0 H VAL A 21 -3.254 -20.949 -10.102 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.901 -21.838 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.998 -19.909 -11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.397 -19.276 -11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.172 -20.991 -11.866 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.772 -20.539 -10.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.865 -18.176 -9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.237 -19.435 -8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.547 -19.106 -9.062 1.00 0.00 H new ATOM 318 N GLU A 22 -6.264 -23.588 -10.884 1.00 0.00 N ATOM 319 CA GLU A 22 -6.490 -24.631 -11.872 1.00 0.00 C ATOM 320 C GLU A 22 -7.239 -24.060 -13.066 1.00 0.00 C ATOM 321 O GLU A 22 -8.074 -23.170 -12.914 1.00 0.00 O ATOM 322 CB GLU A 22 -7.303 -25.770 -11.252 1.00 0.00 C ATOM 323 CG GLU A 22 -6.499 -26.415 -10.120 1.00 0.00 C ATOM 324 CD GLU A 22 -6.766 -25.685 -8.809 1.00 0.00 C ATOM 325 OE1 GLU A 22 -7.384 -24.634 -8.854 1.00 0.00 O ATOM 326 OE2 GLU A 22 -6.350 -26.187 -7.779 1.00 0.00 O ATOM 0 H GLU A 22 -6.811 -23.685 -10.029 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.527 -25.018 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.249 -25.388 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.544 -26.514 -12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.771 -27.466 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.435 -26.382 -10.354 1.00 0.00 H new ATOM 333 N ALA A 23 -6.938 -24.562 -14.259 1.00 0.00 N ATOM 334 CA ALA A 23 -7.600 -24.063 -15.454 1.00 0.00 C ATOM 335 C ALA A 23 -9.108 -24.050 -15.238 1.00 0.00 C ATOM 336 O ALA A 23 -9.702 -25.063 -14.864 1.00 0.00 O ATOM 337 CB ALA A 23 -7.258 -24.948 -16.655 1.00 0.00 C ATOM 0 H ALA A 23 -6.253 -25.300 -14.421 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.254 -23.049 -15.653 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.759 -24.565 -17.544 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.180 -24.943 -16.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.591 -25.968 -16.462 1.00 0.00 H new ATOM 343 N GLY A 24 -9.720 -22.895 -15.466 1.00 0.00 N ATOM 344 CA GLY A 24 -11.159 -22.759 -15.285 1.00 0.00 C ATOM 345 C GLY A 24 -11.512 -22.689 -13.801 1.00 0.00 C ATOM 346 O GLY A 24 -12.675 -22.838 -13.424 1.00 0.00 O ATOM 0 H GLY A 24 -9.247 -22.045 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.511 -21.860 -15.790 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.670 -23.604 -15.746 1.00 0.00 H new ATOM 350 N GLN A 25 -10.503 -22.468 -12.959 1.00 0.00 N ATOM 351 CA GLN A 25 -10.726 -22.389 -11.520 1.00 0.00 C ATOM 352 C GLN A 25 -10.580 -20.953 -11.030 1.00 0.00 C ATOM 353 O GLN A 25 -9.607 -20.272 -11.350 1.00 0.00 O ATOM 354 CB GLN A 25 -9.725 -23.284 -10.784 1.00 0.00 C ATOM 355 CG GLN A 25 -9.993 -23.219 -9.279 1.00 0.00 C ATOM 356 CD GLN A 25 -11.406 -23.711 -8.979 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.255 -22.933 -8.544 1.00 0.00 O ATOM 358 NE2 GLN A 25 -11.710 -24.963 -9.189 1.00 0.00 N ATOM 0 H GLN A 25 -9.533 -22.342 -13.247 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.740 -22.730 -11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.813 -24.312 -11.136 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.706 -22.960 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.265 -23.830 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.872 -22.196 -8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.005 -25.606 -9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.653 -25.299 -8.993 1.00 0.00 H new ATOM 367 N GLN A 26 -11.560 -20.498 -10.254 1.00 0.00 N ATOM 368 CA GLN A 26 -11.537 -19.139 -9.728 1.00 0.00 C ATOM 369 C GLN A 26 -10.447 -18.985 -8.671 1.00 0.00 C ATOM 370 O GLN A 26 -10.117 -19.934 -7.961 1.00 0.00 O ATOM 371 CB GLN A 26 -12.895 -18.797 -9.114 1.00 0.00 C ATOM 372 CG GLN A 26 -13.944 -18.681 -10.221 1.00 0.00 C ATOM 373 CD GLN A 26 -15.333 -18.548 -9.608 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.582 -19.052 -8.514 1.00 0.00 O ATOM 375 NE2 GLN A 26 -16.262 -17.896 -10.255 1.00 0.00 N ATOM 0 H GLN A 26 -12.374 -21.047 -9.978 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.324 -18.457 -10.551 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.188 -19.568 -8.401 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.830 -17.860 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.729 -17.816 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.904 -19.559 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.054 -17.478 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.195 -17.804 -9.853 1.00 0.00 H new ATOM 384 N PHE A 27 -9.898 -17.779 -8.575 1.00 0.00 N ATOM 385 CA PHE A 27 -8.847 -17.501 -7.602 1.00 0.00 C ATOM 386 C PHE A 27 -9.453 -17.048 -6.281 1.00 0.00 C ATOM 387 O PHE A 27 -10.167 -16.048 -6.221 1.00 0.00 O ATOM 388 CB PHE A 27 -7.914 -16.412 -8.137 1.00 0.00 C ATOM 389 CG PHE A 27 -6.866 -16.083 -7.100 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.741 -16.902 -6.957 1.00 0.00 C ATOM 391 CD2 PHE A 27 -7.023 -14.958 -6.281 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.770 -16.597 -5.996 1.00 0.00 C ATOM 393 CE2 PHE A 27 -6.052 -14.653 -5.319 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.925 -15.472 -5.177 1.00 0.00 C ATOM 0 H PHE A 27 -10.161 -16.982 -9.155 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.278 -18.416 -7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.436 -16.749 -9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.487 -15.518 -8.385 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.622 -17.770 -7.588 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.892 -14.326 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.901 -17.229 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.172 -13.786 -4.686 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.176 -15.236 -4.436 1.00 0.00 H new ATOM 404 N ASP A 28 -9.161 -17.798 -5.225 1.00 0.00 N ATOM 405 CA ASP A 28 -9.683 -17.472 -3.907 1.00 0.00 C ATOM 406 C ASP A 28 -8.746 -16.511 -3.186 1.00 0.00 C ATOM 407 O ASP A 28 -7.642 -16.882 -2.789 1.00 0.00 O ATOM 408 CB ASP A 28 -9.837 -18.752 -3.087 1.00 0.00 C ATOM 409 CG ASP A 28 -11.001 -19.579 -3.621 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.104 -20.734 -3.241 1.00 0.00 O ATOM 411 OD2 ASP A 28 -11.771 -19.046 -4.402 1.00 0.00 O ATOM 0 H ASP A 28 -8.570 -18.629 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.655 -16.992 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.917 -19.334 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.007 -18.504 -2.039 1.00 0.00 H new ATOM 416 N ASP A 29 -9.194 -15.270 -3.027 1.00 0.00 N ATOM 417 CA ASP A 29 -8.390 -14.256 -2.357 1.00 0.00 C ATOM 418 C ASP A 29 -8.340 -14.501 -0.854 1.00 0.00 C ATOM 419 O ASP A 29 -7.408 -14.064 -0.177 1.00 0.00 O ATOM 420 CB ASP A 29 -8.977 -12.870 -2.627 1.00 0.00 C ATOM 421 CG ASP A 29 -10.405 -12.797 -2.096 1.00 0.00 C ATOM 422 OD1 ASP A 29 -11.032 -11.766 -2.278 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.851 -13.772 -1.515 1.00 0.00 O ATOM 0 H ASP A 29 -10.105 -14.944 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.375 -14.312 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.363 -12.106 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.967 -12.664 -3.697 1.00 0.00 H new ATOM 428 N SER A 30 -9.344 -15.198 -0.331 1.00 0.00 N ATOM 429 CA SER A 30 -9.394 -15.482 1.097 1.00 0.00 C ATOM 430 C SER A 30 -8.231 -16.375 1.520 1.00 0.00 C ATOM 431 O SER A 30 -7.603 -16.142 2.554 1.00 0.00 O ATOM 432 CB SER A 30 -10.715 -16.168 1.446 1.00 0.00 C ATOM 433 OG SER A 30 -11.788 -15.265 1.214 1.00 0.00 O ATOM 0 H SER A 30 -10.126 -15.573 -0.869 1.00 0.00 H new ATOM 0 HA SER A 30 -9.318 -14.536 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.843 -17.066 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.710 -16.484 2.489 1.00 0.00 H new ATOM 0 HG SER A 30 -12.637 -15.702 1.435 1.00 0.00 H new ATOM 439 N ALA A 31 -7.954 -17.401 0.721 1.00 0.00 N ATOM 440 CA ALA A 31 -6.870 -18.327 1.030 1.00 0.00 C ATOM 441 C ALA A 31 -5.519 -17.619 1.028 1.00 0.00 C ATOM 442 O ALA A 31 -4.671 -17.881 1.881 1.00 0.00 O ATOM 443 CB ALA A 31 -6.850 -19.464 0.006 1.00 0.00 C ATOM 0 H ALA A 31 -8.461 -17.611 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.046 -18.729 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.038 -20.152 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.799 -19.998 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.698 -19.052 -0.992 1.00 0.00 H new ATOM 449 N TYR A 32 -5.320 -16.728 0.063 1.00 0.00 N ATOM 450 CA TYR A 32 -4.059 -16.003 -0.035 1.00 0.00 C ATOM 451 C TYR A 32 -3.818 -15.179 1.224 1.00 0.00 C ATOM 452 O TYR A 32 -2.742 -15.236 1.818 1.00 0.00 O ATOM 453 CB TYR A 32 -4.074 -15.077 -1.252 1.00 0.00 C ATOM 454 CG TYR A 32 -2.751 -14.354 -1.342 1.00 0.00 C ATOM 455 CD1 TYR A 32 -1.665 -14.964 -1.982 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.607 -13.081 -0.781 1.00 0.00 C ATOM 457 CE1 TYR A 32 -0.436 -14.300 -2.062 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.377 -12.415 -0.863 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.292 -13.025 -1.503 1.00 0.00 C ATOM 460 OH TYR A 32 0.918 -12.370 -1.582 1.00 0.00 O ATOM 0 H TYR A 32 -6.006 -16.492 -0.654 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.255 -16.731 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.250 -15.653 -2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.890 -14.359 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.776 -15.948 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.444 -12.612 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.401 -14.771 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.266 -11.431 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 32 1.639 -12.983 -1.328 1.00 0.00 H new ATOM 470 N GLU A 33 -4.828 -14.422 1.633 1.00 0.00 N ATOM 471 CA GLU A 33 -4.707 -13.603 2.833 1.00 0.00 C ATOM 472 C GLU A 33 -4.673 -14.489 4.071 1.00 0.00 C ATOM 473 O GLU A 33 -4.086 -14.129 5.089 1.00 0.00 O ATOM 474 CB GLU A 33 -5.880 -12.625 2.924 1.00 0.00 C ATOM 475 CG GLU A 33 -7.178 -13.399 3.156 1.00 0.00 C ATOM 476 CD GLU A 33 -8.362 -12.439 3.185 1.00 0.00 C ATOM 477 OE1 GLU A 33 -9.474 -12.906 3.364 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.138 -11.249 3.028 1.00 0.00 O ATOM 0 H GLU A 33 -5.729 -14.358 1.159 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.778 -13.036 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.715 -11.919 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.952 -12.042 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.317 -14.137 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.121 -13.947 4.097 1.00 0.00 H new ATOM 485 N GLU A 34 -5.311 -15.652 3.974 1.00 0.00 N ATOM 486 CA GLU A 34 -5.350 -16.586 5.092 1.00 0.00 C ATOM 487 C GLU A 34 -3.942 -17.047 5.458 1.00 0.00 C ATOM 488 O GLU A 34 -3.581 -17.086 6.634 1.00 0.00 O ATOM 489 CB GLU A 34 -6.209 -17.797 4.728 1.00 0.00 C ATOM 490 CG GLU A 34 -6.276 -18.752 5.922 1.00 0.00 C ATOM 491 CD GLU A 34 -7.172 -19.942 5.589 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.327 -20.799 6.445 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.688 -19.979 4.486 1.00 0.00 O ATOM 0 H GLU A 34 -5.804 -15.967 3.139 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.785 -16.077 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.212 -17.474 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.787 -18.309 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.275 -19.100 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.663 -18.228 6.796 1.00 0.00 H new ATOM 500 N ALA A 35 -3.149 -17.391 4.447 1.00 0.00 N ATOM 501 CA ALA A 35 -1.782 -17.843 4.683 1.00 0.00 C ATOM 502 C ALA A 35 -0.824 -16.657 4.705 1.00 0.00 C ATOM 503 O ALA A 35 0.045 -16.562 5.572 1.00 0.00 O ATOM 504 CB ALA A 35 -1.359 -18.824 3.588 1.00 0.00 C ATOM 0 H ALA A 35 -3.426 -17.366 3.466 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.746 -18.343 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.337 -19.156 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.027 -19.685 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.411 -18.330 2.618 1.00 0.00 H new ATOM 510 N TYR A 36 -0.992 -15.751 3.745 1.00 0.00 N ATOM 511 CA TYR A 36 -0.139 -14.573 3.662 1.00 0.00 C ATOM 512 C TYR A 36 -0.526 -13.558 4.733 1.00 0.00 C ATOM 513 O TYR A 36 0.302 -12.765 5.180 1.00 0.00 O ATOM 514 CB TYR A 36 -0.250 -13.930 2.277 1.00 0.00 C ATOM 515 CG TYR A 36 0.427 -14.815 1.254 1.00 0.00 C ATOM 516 CD1 TYR A 36 1.818 -14.765 1.101 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.333 -15.681 0.458 1.00 0.00 C ATOM 518 CE1 TYR A 36 2.449 -15.580 0.154 1.00 0.00 C ATOM 519 CE2 TYR A 36 0.299 -16.496 -0.490 1.00 0.00 C ATOM 520 CZ TYR A 36 1.689 -16.446 -0.642 1.00 0.00 C ATOM 521 OH TYR A 36 2.312 -17.249 -1.576 1.00 0.00 O ATOM 0 H TYR A 36 -1.706 -15.811 3.019 1.00 0.00 H new ATOM 0 HA TYR A 36 0.892 -14.886 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.298 -13.788 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.214 -12.944 2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.405 -14.097 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.406 -15.721 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.522 -15.541 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.287 -17.164 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 36 1.641 -17.790 -2.042 1.00 0.00 H new ATOM 531 N GLY A 37 -1.789 -13.594 5.146 1.00 0.00 N ATOM 532 CA GLY A 37 -2.273 -12.677 6.170 1.00 0.00 C ATOM 533 C GLY A 37 -2.538 -11.293 5.588 1.00 0.00 C ATOM 534 O GLY A 37 -2.667 -10.316 6.325 1.00 0.00 O ATOM 0 H GLY A 37 -2.491 -14.243 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.189 -13.071 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.539 -12.603 6.972 1.00 0.00 H new ATOM 538 N VAL A 38 -2.624 -11.213 4.263 1.00 0.00 N ATOM 539 CA VAL A 38 -2.882 -9.935 3.612 1.00 0.00 C ATOM 540 C VAL A 38 -3.972 -10.065 2.552 1.00 0.00 C ATOM 541 O VAL A 38 -4.008 -11.037 1.797 1.00 0.00 O ATOM 542 CB VAL A 38 -1.600 -9.414 2.964 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.548 -9.154 4.045 1.00 0.00 C ATOM 544 CG2 VAL A 38 -1.068 -10.457 1.978 1.00 0.00 C ATOM 0 H VAL A 38 -2.521 -12.005 3.629 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.223 -9.232 4.372 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.813 -8.485 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.366 -8.782 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.925 -8.412 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.334 -10.082 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.153 -10.087 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.856 -11.385 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.815 -10.643 1.207 1.00 0.00 H new ATOM 554 N SER A 39 -4.858 -9.077 2.512 1.00 0.00 N ATOM 555 CA SER A 39 -5.956 -9.077 1.552 1.00 0.00 C ATOM 556 C SER A 39 -5.428 -8.971 0.124 1.00 0.00 C ATOM 557 O SER A 39 -4.407 -8.331 -0.128 1.00 0.00 O ATOM 558 CB SER A 39 -6.895 -7.906 1.836 1.00 0.00 C ATOM 559 OG SER A 39 -7.473 -8.069 3.125 1.00 0.00 O ATOM 0 H SER A 39 -4.838 -8.267 3.132 1.00 0.00 H new ATOM 0 HA SER A 39 -6.500 -10.016 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.347 -6.965 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.677 -7.859 1.078 1.00 0.00 H new ATOM 0 HG SER A 39 -7.750 -9.002 3.244 1.00 0.00 H new ATOM 565 N VAL A 40 -6.138 -9.601 -0.807 1.00 0.00 N ATOM 566 CA VAL A 40 -5.744 -9.573 -2.211 1.00 0.00 C ATOM 567 C VAL A 40 -6.688 -8.680 -3.008 1.00 0.00 C ATOM 568 O VAL A 40 -7.891 -8.935 -3.069 1.00 0.00 O ATOM 569 CB VAL A 40 -5.772 -10.988 -2.792 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.341 -10.946 -4.259 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.816 -11.882 -2.004 1.00 0.00 C ATOM 0 H VAL A 40 -6.986 -10.135 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.732 -9.174 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.783 -11.389 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.361 -11.954 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.024 -10.309 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.330 -10.545 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.836 -12.890 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.804 -11.482 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.125 -11.913 -0.959 1.00 0.00 H new ATOM 581 N PRO A 41 -6.172 -7.645 -3.611 1.00 0.00 N ATOM 582 CA PRO A 41 -6.994 -6.694 -4.418 1.00 0.00 C ATOM 583 C PRO A 41 -7.785 -7.417 -5.504 1.00 0.00 C ATOM 584 O PRO A 41 -7.263 -8.312 -6.171 1.00 0.00 O ATOM 585 CB PRO A 41 -5.951 -5.757 -5.038 1.00 0.00 C ATOM 586 CG PRO A 41 -4.774 -5.832 -4.124 1.00 0.00 C ATOM 587 CD PRO A 41 -4.751 -7.262 -3.594 1.00 0.00 C ATOM 0 HA PRO A 41 -7.738 -6.172 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.688 -6.072 -6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.330 -4.738 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.851 -5.596 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.865 -5.114 -3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.149 -7.916 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.331 -7.313 -2.589 1.00 0.00 H new ATOM 595 N SER A 42 -9.048 -7.039 -5.668 1.00 0.00 N ATOM 596 CA SER A 42 -9.902 -7.678 -6.663 1.00 0.00 C ATOM 597 C SER A 42 -9.330 -7.505 -8.065 1.00 0.00 C ATOM 598 O SER A 42 -9.473 -8.387 -8.912 1.00 0.00 O ATOM 599 CB SER A 42 -11.306 -7.077 -6.607 1.00 0.00 C ATOM 600 OG SER A 42 -11.241 -5.698 -6.943 1.00 0.00 O ATOM 0 H SER A 42 -9.500 -6.300 -5.130 1.00 0.00 H new ATOM 0 HA SER A 42 -9.949 -8.743 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.966 -7.601 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.727 -7.200 -5.609 1.00 0.00 H new ATOM 0 HG SER A 42 -12.140 -5.310 -6.910 1.00 0.00 H new ATOM 606 N ALA A 43 -8.682 -6.372 -8.310 1.00 0.00 N ATOM 607 CA ALA A 43 -8.099 -6.119 -9.622 1.00 0.00 C ATOM 608 C ALA A 43 -7.049 -7.177 -9.943 1.00 0.00 C ATOM 609 O ALA A 43 -6.988 -7.684 -11.063 1.00 0.00 O ATOM 610 CB ALA A 43 -7.455 -4.731 -9.650 1.00 0.00 C ATOM 0 H ALA A 43 -8.548 -5.624 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.890 -6.163 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.022 -4.551 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.212 -3.975 -9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.672 -4.678 -8.894 1.00 0.00 H new ATOM 616 N VAL A 44 -6.240 -7.520 -8.946 1.00 0.00 N ATOM 617 CA VAL A 44 -5.210 -8.536 -9.122 1.00 0.00 C ATOM 618 C VAL A 44 -5.846 -9.909 -9.316 1.00 0.00 C ATOM 619 O VAL A 44 -5.416 -10.697 -10.160 1.00 0.00 O ATOM 620 CB VAL A 44 -4.289 -8.566 -7.901 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.344 -9.763 -8.003 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.471 -7.274 -7.851 1.00 0.00 C ATOM 0 H VAL A 44 -6.278 -7.111 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.626 -8.287 -10.008 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.889 -8.654 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.688 -9.784 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.926 -10.684 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.743 -9.676 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.814 -7.293 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.872 -7.188 -8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.144 -6.420 -7.778 1.00 0.00 H new ATOM 632 N VAL A 45 -6.870 -10.188 -8.514 1.00 0.00 N ATOM 633 CA VAL A 45 -7.571 -11.466 -8.574 1.00 0.00 C ATOM 634 C VAL A 45 -8.224 -11.685 -9.934 1.00 0.00 C ATOM 635 O VAL A 45 -8.184 -12.789 -10.475 1.00 0.00 O ATOM 636 CB VAL A 45 -8.642 -11.520 -7.483 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.520 -12.755 -7.690 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.967 -11.600 -6.111 1.00 0.00 C ATOM 0 H VAL A 45 -7.233 -9.543 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.837 -12.256 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.259 -10.623 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.283 -12.793 -6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.000 -12.701 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.904 -13.652 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.729 -11.639 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.351 -12.498 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.340 -10.721 -5.962 1.00 0.00 H new ATOM 648 N GLU A 46 -8.835 -10.639 -10.483 1.00 0.00 N ATOM 649 CA GLU A 46 -9.493 -10.769 -11.778 1.00 0.00 C ATOM 650 C GLU A 46 -8.479 -11.165 -12.843 1.00 0.00 C ATOM 651 O GLU A 46 -8.746 -12.038 -13.669 1.00 0.00 O ATOM 652 CB GLU A 46 -10.155 -9.445 -12.165 1.00 0.00 C ATOM 653 CG GLU A 46 -11.333 -9.169 -11.228 1.00 0.00 C ATOM 654 CD GLU A 46 -12.437 -10.193 -11.462 1.00 0.00 C ATOM 655 OE1 GLU A 46 -13.240 -10.386 -10.564 1.00 0.00 O ATOM 656 OE2 GLU A 46 -12.465 -10.771 -12.537 1.00 0.00 O ATOM 0 H GLU A 46 -8.888 -9.711 -10.062 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.256 -11.544 -11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.431 -8.633 -12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.501 -9.487 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.001 -9.211 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.717 -8.163 -11.399 1.00 0.00 H new ATOM 663 N GLU A 47 -7.316 -10.524 -12.821 1.00 0.00 N ATOM 664 CA GLU A 47 -6.277 -10.830 -13.795 1.00 0.00 C ATOM 665 C GLU A 47 -5.829 -12.278 -13.647 1.00 0.00 C ATOM 666 O GLU A 47 -5.606 -12.973 -14.638 1.00 0.00 O ATOM 667 CB GLU A 47 -5.080 -9.898 -13.594 1.00 0.00 C ATOM 668 CG GLU A 47 -5.461 -8.477 -14.015 1.00 0.00 C ATOM 669 CD GLU A 47 -4.335 -7.510 -13.664 1.00 0.00 C ATOM 670 OE1 GLU A 47 -4.387 -6.380 -14.119 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.437 -7.914 -12.944 1.00 0.00 O ATOM 0 H GLU A 47 -7.071 -9.798 -12.148 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.682 -10.683 -14.796 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.770 -9.908 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.231 -10.247 -14.182 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.657 -8.447 -15.087 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.381 -8.175 -13.514 1.00 0.00 H new ATOM 678 N MET A 48 -5.709 -12.732 -12.402 1.00 0.00 N ATOM 679 CA MET A 48 -5.301 -14.105 -12.141 1.00 0.00 C ATOM 680 C MET A 48 -6.361 -15.066 -12.666 1.00 0.00 C ATOM 681 O MET A 48 -6.048 -16.104 -13.250 1.00 0.00 O ATOM 682 CB MET A 48 -5.126 -14.316 -10.635 1.00 0.00 C ATOM 683 CG MET A 48 -3.949 -13.477 -10.132 1.00 0.00 C ATOM 684 SD MET A 48 -2.424 -14.010 -10.946 1.00 0.00 S ATOM 685 CE MET A 48 -1.336 -12.766 -10.206 1.00 0.00 C ATOM 0 H MET A 48 -5.887 -12.174 -11.567 1.00 0.00 H new ATOM 0 HA MET A 48 -4.355 -14.297 -12.646 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.038 -14.033 -10.110 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.950 -15.371 -10.423 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.130 -12.421 -10.334 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.851 -13.582 -9.052 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.729 -12.304 -10.985 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.938 -12.002 -9.715 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.685 -13.242 -9.473 1.00 0.00 H new ATOM 695 N ASN A 49 -7.622 -14.691 -12.465 1.00 0.00 N ATOM 696 CA ASN A 49 -8.742 -15.499 -12.928 1.00 0.00 C ATOM 697 C ASN A 49 -8.760 -15.550 -14.452 1.00 0.00 C ATOM 698 O ASN A 49 -9.058 -16.584 -15.050 1.00 0.00 O ATOM 699 CB ASN A 49 -10.058 -14.910 -12.419 1.00 0.00 C ATOM 700 CG ASN A 49 -10.184 -15.142 -10.917 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.525 -16.023 -10.367 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.999 -14.401 -10.217 1.00 0.00 N ATOM 0 H ASN A 49 -7.891 -13.833 -11.984 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.626 -16.511 -12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.096 -13.842 -12.635 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.898 -15.371 -12.939 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.090 -14.552 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.545 -13.671 -10.675 1.00 0.00 H new ATOM 709 N ALA A 50 -8.441 -14.417 -15.070 1.00 0.00 N ATOM 710 CA ALA A 50 -8.420 -14.328 -16.524 1.00 0.00 C ATOM 711 C ALA A 50 -7.395 -15.294 -17.106 1.00 0.00 C ATOM 712 O ALA A 50 -7.647 -15.950 -18.115 1.00 0.00 O ATOM 713 CB ALA A 50 -8.081 -12.900 -16.955 1.00 0.00 C ATOM 0 H ALA A 50 -8.195 -13.552 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.408 -14.596 -16.899 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.067 -12.842 -18.043 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.833 -12.214 -16.564 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.101 -12.625 -16.565 1.00 0.00 H new ATOM 719 N LYS A 51 -6.233 -15.372 -16.463 1.00 0.00 N ATOM 720 CA LYS A 51 -5.176 -16.260 -16.930 1.00 0.00 C ATOM 721 C LYS A 51 -5.633 -17.714 -16.883 1.00 0.00 C ATOM 722 O LYS A 51 -5.355 -18.490 -17.795 1.00 0.00 O ATOM 723 CB LYS A 51 -3.929 -16.088 -16.061 1.00 0.00 C ATOM 724 CG LYS A 51 -3.328 -14.701 -16.295 1.00 0.00 C ATOM 725 CD LYS A 51 -2.804 -14.607 -17.729 1.00 0.00 C ATOM 726 CE LYS A 51 -2.148 -13.242 -17.946 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.643 -13.150 -19.345 1.00 0.00 N ATOM 0 H LYS A 51 -6.002 -14.837 -15.626 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.941 -16.000 -17.962 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.187 -16.211 -15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.196 -16.858 -16.302 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.081 -13.933 -16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.518 -14.520 -15.588 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.083 -15.402 -17.916 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.622 -14.745 -18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.868 -12.446 -17.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.327 -13.105 -17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.197 -12.222 -19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.943 -13.901 -19.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.436 -13.262 -20.008 1.00 0.00 H new ATOM 741 N ALA A 52 -6.343 -18.075 -15.819 1.00 0.00 N ATOM 742 CA ALA A 52 -6.840 -19.439 -15.662 1.00 0.00 C ATOM 743 C ALA A 52 -7.790 -19.805 -16.796 1.00 0.00 C ATOM 744 O ALA A 52 -7.789 -20.938 -17.279 1.00 0.00 O ATOM 745 CB ALA A 52 -7.564 -19.579 -14.322 1.00 0.00 C ATOM 0 H ALA A 52 -6.587 -17.445 -15.055 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.988 -20.118 -15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.932 -20.599 -14.212 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.873 -19.353 -13.510 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.404 -18.885 -14.288 1.00 0.00 H new ATOM 751 N ALA A 53 -8.593 -18.838 -17.220 1.00 0.00 N ATOM 752 CA ALA A 53 -9.544 -19.058 -18.305 1.00 0.00 C ATOM 753 C ALA A 53 -8.819 -19.410 -19.600 1.00 0.00 C ATOM 754 O ALA A 53 -9.285 -20.241 -20.378 1.00 0.00 O ATOM 755 CB ALA A 53 -10.391 -17.803 -18.516 1.00 0.00 C ATOM 0 H ALA A 53 -8.606 -17.895 -16.831 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.189 -19.893 -18.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.099 -17.974 -19.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.937 -17.574 -17.601 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.742 -16.965 -18.771 1.00 0.00 H new ATOM 761 N GLN A 54 -7.677 -18.766 -19.826 1.00 0.00 N ATOM 762 CA GLN A 54 -6.897 -19.014 -21.034 1.00 0.00 C ATOM 763 C GLN A 54 -6.000 -20.239 -20.868 1.00 0.00 C ATOM 764 O GLN A 54 -5.533 -20.813 -21.851 1.00 0.00 O ATOM 765 CB GLN A 54 -6.034 -17.793 -21.355 1.00 0.00 C ATOM 766 CG GLN A 54 -6.933 -16.634 -21.796 1.00 0.00 C ATOM 767 CD GLN A 54 -6.112 -15.355 -21.920 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.119 -15.183 -21.213 1.00 0.00 O ATOM 769 NE2 GLN A 54 -6.470 -14.443 -22.781 1.00 0.00 N ATOM 0 H GLN A 54 -7.274 -18.074 -19.194 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.592 -19.201 -21.852 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.454 -17.504 -20.479 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.322 -18.035 -22.144 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.401 -16.869 -22.752 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.737 -16.491 -21.074 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.293 -14.588 -23.365 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.927 -13.584 -22.870 1.00 0.00 H new ATOM 778 N LEU A 55 -5.754 -20.630 -19.620 1.00 0.00 N ATOM 779 CA LEU A 55 -4.900 -21.785 -19.352 1.00 0.00 C ATOM 780 C LEU A 55 -5.601 -23.096 -19.687 1.00 0.00 C ATOM 781 O LEU A 55 -6.772 -23.294 -19.367 1.00 0.00 O ATOM 782 CB LEU A 55 -4.479 -21.797 -17.881 1.00 0.00 C ATOM 783 CG LEU A 55 -3.457 -20.688 -17.630 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.237 -20.525 -16.125 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.132 -21.062 -18.297 1.00 0.00 C ATOM 0 H LEU A 55 -6.128 -20.172 -18.789 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.021 -21.696 -19.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.350 -21.654 -17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.050 -22.765 -17.623 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.827 -19.751 -18.046 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.508 -19.734 -15.947 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.180 -20.264 -15.646 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.865 -21.461 -15.708 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.400 -20.274 -18.120 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.765 -21.998 -17.877 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.285 -21.181 -19.370 1.00 0.00 H new ATOM 797 N LYS A 56 -4.856 -23.990 -20.328 1.00 0.00 N ATOM 798 CA LYS A 56 -5.380 -25.296 -20.706 1.00 0.00 C ATOM 799 C LYS A 56 -5.051 -26.320 -19.623 1.00 0.00 C ATOM 800 O LYS A 56 -4.234 -26.058 -18.743 1.00 0.00 O ATOM 801 CB LYS A 56 -4.771 -25.743 -22.036 1.00 0.00 C ATOM 802 CG LYS A 56 -5.200 -24.782 -23.145 1.00 0.00 C ATOM 803 CD LYS A 56 -4.595 -25.233 -24.476 1.00 0.00 C ATOM 804 CE LYS A 56 -4.991 -24.249 -25.578 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.472 -24.254 -25.742 1.00 0.00 N ATOM 0 H LYS A 56 -3.885 -23.833 -20.597 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.462 -25.222 -20.817 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.684 -25.765 -21.961 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.095 -26.756 -22.274 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.287 -24.757 -23.218 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.873 -23.769 -22.910 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.509 -25.286 -24.394 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.945 -26.235 -24.726 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.646 -23.246 -25.326 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.510 -24.525 -26.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.719 -23.870 -26.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.827 -25.228 -25.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.905 -23.667 -25.001 1.00 0.00 H new ATOM 819 N ASP A 57 -5.686 -27.485 -19.692 1.00 0.00 N ATOM 820 CA ASP A 57 -5.437 -28.528 -18.706 1.00 0.00 C ATOM 821 C ASP A 57 -3.958 -28.900 -18.704 1.00 0.00 C ATOM 822 O ASP A 57 -3.265 -28.718 -19.705 1.00 0.00 O ATOM 823 CB ASP A 57 -6.279 -29.764 -19.023 1.00 0.00 C ATOM 824 CG ASP A 57 -5.828 -30.378 -20.344 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.440 -31.345 -20.766 1.00 0.00 O ATOM 826 OD2 ASP A 57 -4.875 -29.870 -20.915 1.00 0.00 O ATOM 0 H ASP A 57 -6.368 -27.728 -20.410 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.714 -28.153 -17.721 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.182 -30.496 -18.221 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.333 -29.491 -19.080 1.00 0.00 H new ATOM 831 N GLY A 58 -3.476 -29.414 -17.578 1.00 0.00 N ATOM 832 CA GLY A 58 -2.073 -29.795 -17.469 1.00 0.00 C ATOM 833 C GLY A 58 -1.203 -28.578 -17.172 1.00 0.00 C ATOM 834 O GLY A 58 0.026 -28.659 -17.200 1.00 0.00 O ATOM 0 H GLY A 58 -4.029 -29.575 -16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.953 -30.535 -16.678 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.746 -30.264 -18.397 1.00 0.00 H new ATOM 838 N GLU A 59 -1.849 -27.452 -16.884 1.00 0.00 N ATOM 839 CA GLU A 59 -1.123 -26.223 -16.576 1.00 0.00 C ATOM 840 C GLU A 59 -1.648 -25.582 -15.299 1.00 0.00 C ATOM 841 O GLU A 59 -2.808 -25.769 -14.928 1.00 0.00 O ATOM 842 CB GLU A 59 -1.237 -25.232 -17.731 1.00 0.00 C ATOM 843 CG GLU A 59 -0.573 -25.824 -18.973 1.00 0.00 C ATOM 844 CD GLU A 59 -0.695 -24.855 -20.144 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.374 -23.693 -19.960 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.107 -25.289 -21.207 1.00 0.00 O ATOM 0 H GLU A 59 -2.865 -27.364 -16.857 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.075 -26.485 -16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.285 -25.013 -17.935 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.760 -24.289 -17.464 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.478 -26.031 -18.770 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.041 -26.775 -19.227 1.00 0.00 H new ATOM 853 N TRP A 60 -0.788 -24.819 -14.631 1.00 0.00 N ATOM 854 CA TRP A 60 -1.176 -24.149 -13.399 1.00 0.00 C ATOM 855 C TRP A 60 -0.640 -22.721 -13.386 1.00 0.00 C ATOM 856 O TRP A 60 0.415 -22.440 -13.956 1.00 0.00 O ATOM 857 CB TRP A 60 -0.629 -24.911 -12.190 1.00 0.00 C ATOM 858 CG TRP A 60 -1.007 -26.354 -12.295 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.128 -27.378 -12.378 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.337 -26.951 -12.349 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.831 -28.567 -12.467 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.195 -28.355 -12.456 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.637 -26.417 -12.315 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.304 -29.200 -12.525 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.756 -27.265 -12.385 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.589 -28.653 -12.489 1.00 0.00 C ATOM 0 H TRP A 60 0.175 -24.651 -14.921 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.264 -24.124 -13.345 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.455 -24.811 -12.144 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.027 -24.486 -11.269 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.948 -27.284 -12.375 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.395 -29.487 -12.533 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.777 -25.349 -12.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.170 -30.269 -12.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.750 -26.845 -12.358 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.453 -29.299 -12.541 1.00 0.00 H new ATOM 877 N LEU A 61 -1.363 -21.828 -12.727 1.00 0.00 N ATOM 878 CA LEU A 61 -0.943 -20.435 -12.640 1.00 0.00 C ATOM 879 C LEU A 61 -0.207 -20.202 -11.326 1.00 0.00 C ATOM 880 O LEU A 61 -0.588 -20.754 -10.294 1.00 0.00 O ATOM 881 CB LEU A 61 -2.156 -19.509 -12.729 1.00 0.00 C ATOM 882 CG LEU A 61 -1.681 -18.058 -12.705 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.761 -17.813 -13.901 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.891 -17.123 -12.788 1.00 0.00 C ATOM 0 H LEU A 61 -2.238 -22.040 -12.247 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.274 -20.215 -13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.713 -19.707 -13.645 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.834 -19.696 -11.896 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.139 -17.863 -11.780 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.418 -16.778 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.098 -18.481 -13.842 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.307 -18.005 -14.825 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.552 -16.087 -12.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.434 -17.312 -13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.549 -17.304 -11.938 1.00 0.00 H new ATOM 896 N ASN A 62 0.847 -19.391 -11.359 1.00 0.00 N ATOM 897 CA ASN A 62 1.619 -19.111 -10.153 1.00 0.00 C ATOM 898 C ASN A 62 1.302 -17.718 -9.619 1.00 0.00 C ATOM 899 O ASN A 62 1.511 -16.719 -10.306 1.00 0.00 O ATOM 900 CB ASN A 62 3.117 -19.207 -10.462 1.00 0.00 C ATOM 901 CG ASN A 62 3.935 -18.878 -9.214 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.216 -17.710 -8.947 1.00 0.00 O ATOM 903 ND2 ASN A 62 4.340 -19.843 -8.435 1.00 0.00 N ATOM 0 H ASN A 62 1.183 -18.920 -12.199 1.00 0.00 H new ATOM 0 HA ASN A 62 1.350 -19.847 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.360 -20.211 -10.811 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.375 -18.518 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.890 -19.630 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.106 -20.811 -8.658 1.00 0.00 H new ATOM 910 N VAL A 63 0.806 -17.657 -8.387 1.00 0.00 N ATOM 911 CA VAL A 63 0.475 -16.378 -7.771 1.00 0.00 C ATOM 912 C VAL A 63 1.364 -16.139 -6.555 1.00 0.00 C ATOM 913 O VAL A 63 1.439 -16.980 -5.659 1.00 0.00 O ATOM 914 CB VAL A 63 -0.993 -16.364 -7.342 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.318 -15.027 -6.677 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.883 -16.551 -8.574 1.00 0.00 C ATOM 0 H VAL A 63 0.626 -18.472 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 63 0.642 -15.586 -8.501 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.174 -17.173 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.364 -15.017 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.683 -14.892 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.139 -14.216 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.930 -16.541 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.702 -15.741 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.651 -17.504 -9.049 1.00 0.00 H new ATOM 926 N SER A 64 2.038 -14.996 -6.530 1.00 0.00 N ATOM 927 CA SER A 64 2.925 -14.665 -5.420 1.00 0.00 C ATOM 928 C SER A 64 3.031 -13.152 -5.261 1.00 0.00 C ATOM 929 O SER A 64 2.449 -12.396 -6.038 1.00 0.00 O ATOM 930 CB SER A 64 4.313 -15.255 -5.666 1.00 0.00 C ATOM 931 OG SER A 64 5.119 -15.057 -4.513 1.00 0.00 O ATOM 0 H SER A 64 1.989 -14.286 -7.261 1.00 0.00 H new ATOM 0 HA SER A 64 2.511 -15.089 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.234 -16.319 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.774 -14.780 -6.532 1.00 0.00 H new ATOM 0 HG SER A 64 4.594 -15.253 -3.709 1.00 0.00 H new ATOM 937 N HIS A 65 3.774 -12.717 -4.250 1.00 0.00 N ATOM 938 CA HIS A 65 3.943 -11.290 -4.001 1.00 0.00 C ATOM 939 C HIS A 65 5.373 -10.996 -3.563 1.00 0.00 C ATOM 940 O HIS A 65 6.094 -11.896 -3.132 1.00 0.00 O ATOM 941 CB HIS A 65 2.978 -10.835 -2.905 1.00 0.00 C ATOM 942 CG HIS A 65 3.429 -11.395 -1.585 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.217 -12.717 -1.229 1.00 0.00 N ATOM 944 CD2 HIS A 65 4.086 -10.823 -0.524 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.740 -12.896 -0.003 1.00 0.00 C ATOM 946 NE2 HIS A 65 4.282 -11.772 0.475 1.00 0.00 N ATOM 0 H HIS A 65 4.265 -13.325 -3.595 1.00 0.00 H new ATOM 0 HA HIS A 65 3.731 -10.750 -4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.947 -9.746 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.967 -11.174 -3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.403 -9.792 -0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.724 -13.835 0.531 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.740 -11.638 1.377 1.00 0.00 H new ATOM 954 N GLU A 66 5.779 -9.734 -3.667 1.00 0.00 N ATOM 955 CA GLU A 66 7.125 -9.339 -3.273 1.00 0.00 C ATOM 956 C GLU A 66 7.061 -8.326 -2.134 1.00 0.00 C ATOM 957 O GLU A 66 6.265 -7.387 -2.174 1.00 0.00 O ATOM 958 CB GLU A 66 7.859 -8.724 -4.465 1.00 0.00 C ATOM 959 CG GLU A 66 9.280 -8.337 -4.048 1.00 0.00 C ATOM 960 CD GLU A 66 10.037 -7.763 -5.240 1.00 0.00 C ATOM 961 OE1 GLU A 66 9.451 -7.691 -6.308 1.00 0.00 O ATOM 962 OE2 GLU A 66 11.190 -7.403 -5.068 1.00 0.00 O ATOM 0 H GLU A 66 5.199 -8.973 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 66 7.665 -10.223 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.892 -9.435 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.322 -7.845 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.244 -7.603 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.804 -9.210 -3.660 1.00 0.00 H new