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 37:sc= 1.31 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -3.5! C(o=-2.2!,f=-6.7!) USER MOD Set 2.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 ASN : amide:sc= 1.56 K(o=1.6,f=0.065) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 61:sc= -2.08! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 91:sc= -0.791! USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.0046) USER MOD Single : A 25 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.32) USER MOD Single : A 26 GLN : amide:sc=-0.00751 K(o=-0.0075,f=-1.4!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 142:sc= -6.1! (180deg=-7.96!) USER MOD Single : A 49 ASN : amide:sc= -10.5! C(o=-10!,f=-17!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc=-0.00975 K(o=-0.0098,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ 135:sc= -0.044 (180deg=-0.458) USER MOD Single : A 64 SER OG : rot -60:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.526 -6.008 -4.478 1.00 0.00 N ATOM 31 CA THR A 3 3.385 -6.360 -5.881 1.00 0.00 C ATOM 32 C THR A 3 3.211 -7.861 -6.013 1.00 0.00 C ATOM 33 O THR A 3 3.761 -8.625 -5.223 1.00 0.00 O ATOM 34 CB THR A 3 4.636 -5.925 -6.645 1.00 0.00 C ATOM 35 OG1 THR A 3 5.739 -6.715 -6.226 1.00 0.00 O ATOM 36 CG2 THR A 3 4.931 -4.456 -6.347 1.00 0.00 C ATOM 0 HA THR A 3 2.512 -5.855 -6.294 1.00 0.00 H new ATOM 0 HB THR A 3 4.472 -6.055 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.543 -6.440 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.823 -4.146 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.084 -3.844 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.096 -4.328 -5.277 1.00 0.00 H new ATOM 44 N PHE A 4 2.441 -8.283 -7.006 1.00 0.00 N ATOM 45 CA PHE A 4 2.202 -9.701 -7.214 1.00 0.00 C ATOM 46 C PHE A 4 2.791 -10.156 -8.547 1.00 0.00 C ATOM 47 O PHE A 4 2.668 -9.470 -9.560 1.00 0.00 O ATOM 48 CB PHE A 4 0.697 -9.968 -7.183 1.00 0.00 C ATOM 49 CG PHE A 4 0.172 -9.751 -5.780 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.192 -8.466 -5.350 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.041 -10.840 -4.910 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.684 -8.276 -4.053 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.450 -10.647 -3.614 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.814 -9.365 -3.184 1.00 0.00 C ATOM 0 H PHE A 4 1.975 -7.669 -7.674 1.00 0.00 H new ATOM 0 HA PHE A 4 2.689 -10.265 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.185 -9.305 -7.880 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.492 -10.989 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.093 -7.624 -6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.319 -11.830 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.964 -7.287 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.548 -11.488 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.194 -9.217 -2.184 1.00 0.00 H new ATOM 64 N THR A 5 3.439 -11.318 -8.533 1.00 0.00 N ATOM 65 CA THR A 5 4.054 -11.859 -9.741 1.00 0.00 C ATOM 66 C THR A 5 3.506 -13.248 -10.053 1.00 0.00 C ATOM 67 O THR A 5 3.419 -14.102 -9.172 1.00 0.00 O ATOM 68 CB THR A 5 5.571 -11.936 -9.565 1.00 0.00 C ATOM 69 OG1 THR A 5 6.083 -10.634 -9.316 1.00 0.00 O ATOM 70 CG2 THR A 5 6.205 -12.500 -10.837 1.00 0.00 C ATOM 0 H THR A 5 3.551 -11.900 -7.703 1.00 0.00 H new ATOM 0 HA THR A 5 3.816 -11.195 -10.572 1.00 0.00 H new ATOM 0 HB THR A 5 5.808 -12.588 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.055 -10.681 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.286 -12.555 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.811 -13.498 -11.028 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.970 -11.850 -11.680 1.00 0.00 H new ATOM 78 N SER A 6 3.139 -13.466 -11.312 1.00 0.00 N ATOM 79 CA SER A 6 2.602 -14.755 -11.730 1.00 0.00 C ATOM 80 C SER A 6 3.136 -15.134 -13.110 1.00 0.00 C ATOM 81 O SER A 6 3.336 -14.273 -13.966 1.00 0.00 O ATOM 82 CB SER A 6 1.075 -14.694 -11.766 1.00 0.00 C ATOM 83 OG SER A 6 0.566 -15.948 -12.201 1.00 0.00 O ATOM 0 H SER A 6 3.203 -12.771 -12.056 1.00 0.00 H new ATOM 0 HA SER A 6 2.917 -15.513 -11.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.686 -14.454 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.747 -13.902 -12.439 1.00 0.00 H new ATOM 0 HG SER A 6 0.844 -16.649 -11.575 1.00 0.00 H new ATOM 89 N ILE A 7 3.355 -16.431 -13.320 1.00 0.00 N ATOM 90 CA ILE A 7 3.854 -16.936 -14.595 1.00 0.00 C ATOM 91 C ILE A 7 3.099 -18.211 -14.950 1.00 0.00 C ATOM 92 O ILE A 7 2.683 -18.949 -14.056 1.00 0.00 O ATOM 93 CB ILE A 7 5.353 -17.229 -14.500 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.104 -15.933 -14.184 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.850 -17.793 -15.830 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.561 -16.257 -13.845 1.00 0.00 C ATOM 0 H ILE A 7 3.193 -17.154 -12.618 1.00 0.00 H new ATOM 0 HA ILE A 7 3.698 -16.185 -15.369 1.00 0.00 H new ATOM 0 HB ILE A 7 5.531 -17.958 -13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.060 -15.257 -15.038 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.630 -15.420 -13.347 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.918 -18.001 -15.761 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.315 -18.715 -16.057 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.673 -17.066 -16.622 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.096 -15.334 -13.620 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.595 -16.917 -12.978 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.031 -16.751 -14.695 1.00 0.00 H new ATOM 108 N VAL A 8 2.909 -18.485 -16.237 1.00 0.00 N ATOM 109 CA VAL A 8 2.188 -19.692 -16.625 1.00 0.00 C ATOM 110 C VAL A 8 3.132 -20.888 -16.727 1.00 0.00 C ATOM 111 O VAL A 8 3.875 -21.032 -17.698 1.00 0.00 O ATOM 112 CB VAL A 8 1.494 -19.474 -17.970 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.769 -20.756 -18.384 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.481 -18.334 -17.843 1.00 0.00 C ATOM 0 H VAL A 8 3.234 -17.905 -17.011 1.00 0.00 H new ATOM 0 HA VAL A 8 1.444 -19.903 -15.857 1.00 0.00 H new ATOM 0 HB VAL A 8 2.238 -19.217 -18.724 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.274 -20.601 -19.343 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.490 -21.568 -18.475 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.026 -21.013 -17.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.014 -18.178 -18.802 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.263 -18.590 -17.088 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.997 -17.420 -17.548 1.00 0.00 H new ATOM 124 N THR A 9 3.062 -21.750 -15.723 1.00 0.00 N ATOM 125 CA THR A 9 3.872 -22.964 -15.679 1.00 0.00 C ATOM 126 C THR A 9 3.139 -24.001 -14.843 1.00 0.00 C ATOM 127 O THR A 9 2.346 -23.633 -13.977 1.00 0.00 O ATOM 128 CB THR A 9 5.235 -22.673 -15.046 1.00 0.00 C ATOM 129 OG1 THR A 9 6.100 -23.781 -15.262 1.00 0.00 O ATOM 130 CG2 THR A 9 5.058 -22.455 -13.542 1.00 0.00 C ATOM 0 H THR A 9 2.446 -21.631 -14.919 1.00 0.00 H new ATOM 0 HA THR A 9 4.031 -23.333 -16.692 1.00 0.00 H new ATOM 0 HB THR A 9 5.665 -21.779 -15.498 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.974 -23.597 -14.859 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.027 -22.247 -13.088 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.390 -21.611 -13.373 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.631 -23.351 -13.092 1.00 0.00 H new ATOM 138 N THR A 10 3.393 -25.286 -15.059 1.00 0.00 N ATOM 139 CA THR A 10 2.705 -26.271 -14.238 1.00 0.00 C ATOM 140 C THR A 10 3.669 -27.266 -13.607 1.00 0.00 C ATOM 141 O THR A 10 3.997 -28.296 -14.196 1.00 0.00 O ATOM 142 CB THR A 10 1.706 -27.040 -15.105 1.00 0.00 C ATOM 143 OG1 THR A 10 1.451 -28.310 -14.519 1.00 0.00 O ATOM 144 CG2 THR A 10 2.291 -27.232 -16.504 1.00 0.00 C ATOM 0 H THR A 10 4.036 -25.657 -15.758 1.00 0.00 H new ATOM 0 HA THR A 10 2.198 -25.734 -13.436 1.00 0.00 H new ATOM 0 HB THR A 10 0.774 -26.478 -15.174 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.689 -28.241 -13.907 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.581 -27.780 -17.123 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.488 -26.258 -16.953 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.222 -27.795 -16.435 1.00 0.00 H new ATOM 152 N ASN A 11 4.112 -26.950 -12.394 1.00 0.00 N ATOM 153 CA ASN A 11 5.029 -27.820 -11.674 1.00 0.00 C ATOM 154 C ASN A 11 5.046 -27.465 -10.193 1.00 0.00 C ATOM 155 O ASN A 11 6.109 -27.328 -9.587 1.00 0.00 O ATOM 156 CB ASN A 11 6.433 -27.683 -12.256 1.00 0.00 C ATOM 157 CG ASN A 11 7.127 -29.036 -12.238 1.00 0.00 C ATOM 158 OD1 ASN A 11 7.703 -29.431 -11.225 1.00 0.00 O ATOM 159 ND2 ASN A 11 7.084 -29.782 -13.305 1.00 0.00 N ATOM 0 H ASN A 11 3.851 -26.101 -11.893 1.00 0.00 H new ATOM 0 HA ASN A 11 4.692 -28.851 -11.782 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.379 -27.304 -13.277 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.008 -26.960 -11.678 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.529 -30.700 -13.304 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.605 -29.449 -14.141 1.00 0.00 H new ATOM 246 N GLU A 18 2.701 -23.045 -1.763 1.00 0.00 N ATOM 247 CA GLU A 18 2.468 -22.312 -2.999 1.00 0.00 C ATOM 248 C GLU A 18 1.012 -22.460 -3.425 1.00 0.00 C ATOM 249 O GLU A 18 0.422 -23.528 -3.262 1.00 0.00 O ATOM 250 CB GLU A 18 3.388 -22.835 -4.103 1.00 0.00 C ATOM 251 CG GLU A 18 4.848 -22.656 -3.681 1.00 0.00 C ATOM 252 CD GLU A 18 5.181 -21.173 -3.578 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.467 -20.380 -4.171 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.147 -20.848 -2.906 1.00 0.00 O ATOM 0 HA GLU A 18 2.685 -21.257 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.181 -23.888 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.199 -22.298 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.020 -23.144 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.506 -23.136 -4.405 1.00 0.00 H new ATOM 261 N PHE A 19 0.429 -21.398 -3.968 1.00 0.00 N ATOM 262 CA PHE A 19 -0.960 -21.455 -4.402 1.00 0.00 C ATOM 263 C PHE A 19 -1.049 -21.324 -5.918 1.00 0.00 C ATOM 264 O PHE A 19 -0.484 -20.400 -6.506 1.00 0.00 O ATOM 265 CB PHE A 19 -1.768 -20.338 -3.744 1.00 0.00 C ATOM 266 CG PHE A 19 -3.227 -20.508 -4.096 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.769 -19.831 -5.196 1.00 0.00 C ATOM 268 CD2 PHE A 19 -4.037 -21.350 -3.324 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.122 -19.995 -5.520 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.389 -21.513 -3.648 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.931 -20.835 -4.746 1.00 0.00 C ATOM 0 H PHE A 19 0.889 -20.500 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.372 -22.419 -4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.637 -20.366 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.410 -19.366 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.145 -19.183 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.618 -21.874 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.541 -19.473 -6.367 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.013 -22.161 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.974 -20.960 -4.996 1.00 0.00 H new ATOM 281 N TYR A 20 -1.764 -22.250 -6.545 1.00 0.00 N ATOM 282 CA TYR A 20 -1.924 -22.226 -7.995 1.00 0.00 C ATOM 283 C TYR A 20 -3.393 -22.367 -8.377 1.00 0.00 C ATOM 284 O TYR A 20 -4.130 -23.138 -7.764 1.00 0.00 O ATOM 285 CB TYR A 20 -1.127 -23.371 -8.624 1.00 0.00 C ATOM 286 CG TYR A 20 0.340 -23.193 -8.323 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.888 -23.736 -7.155 1.00 0.00 C ATOM 288 CD2 TYR A 20 1.157 -22.489 -9.216 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.252 -23.575 -6.880 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.519 -22.327 -8.942 1.00 0.00 C ATOM 291 CZ TYR A 20 3.067 -22.870 -7.773 1.00 0.00 C ATOM 292 OH TYR A 20 4.410 -22.710 -7.503 1.00 0.00 O ATOM 0 H TYR A 20 -2.239 -23.022 -6.077 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.553 -21.270 -8.365 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.475 -24.327 -8.233 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.288 -23.390 -9.702 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.259 -24.279 -6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.735 -22.070 -10.118 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.675 -23.995 -5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.148 -21.783 -9.632 1.00 0.00 H new ATOM 0 HH TYR A 20 4.830 -22.197 -8.225 1.00 0.00 H new ATOM 302 N VAL A 21 -3.812 -21.628 -9.401 1.00 0.00 N ATOM 303 CA VAL A 21 -5.195 -21.700 -9.855 1.00 0.00 C ATOM 304 C VAL A 21 -5.337 -22.757 -10.940 1.00 0.00 C ATOM 305 O VAL A 21 -4.738 -22.646 -12.009 1.00 0.00 O ATOM 306 CB VAL A 21 -5.647 -20.348 -10.413 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.054 -20.487 -10.998 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.678 -19.310 -9.290 1.00 0.00 C ATOM 0 H VAL A 21 -3.222 -20.981 -9.925 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.819 -21.965 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.950 -20.029 -11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.379 -19.526 -11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.044 -21.227 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.743 -20.808 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.000 -18.349 -9.691 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.375 -19.632 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.681 -19.208 -8.861 1.00 0.00 H new ATOM 318 N GLU A 22 -6.140 -23.778 -10.663 1.00 0.00 N ATOM 319 CA GLU A 22 -6.353 -24.839 -11.634 1.00 0.00 C ATOM 320 C GLU A 22 -7.214 -24.322 -12.777 1.00 0.00 C ATOM 321 O GLU A 22 -8.106 -23.500 -12.566 1.00 0.00 O ATOM 322 CB GLU A 22 -7.040 -26.031 -10.966 1.00 0.00 C ATOM 323 CG GLU A 22 -6.100 -26.651 -9.930 1.00 0.00 C ATOM 324 CD GLU A 22 -6.793 -27.813 -9.226 1.00 0.00 C ATOM 325 OE1 GLU A 22 -6.132 -28.494 -8.461 1.00 0.00 O ATOM 326 OE2 GLU A 22 -7.974 -28.004 -9.465 1.00 0.00 O ATOM 0 H GLU A 22 -6.647 -23.891 -9.785 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.388 -25.161 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.964 -25.709 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.312 -26.774 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.189 -27.001 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.803 -25.898 -9.200 1.00 0.00 H new ATOM 333 N ALA A 23 -6.942 -24.790 -13.987 1.00 0.00 N ATOM 334 CA ALA A 23 -7.706 -24.341 -15.142 1.00 0.00 C ATOM 335 C ALA A 23 -9.197 -24.521 -14.884 1.00 0.00 C ATOM 336 O ALA A 23 -9.632 -25.572 -14.413 1.00 0.00 O ATOM 337 CB ALA A 23 -7.298 -25.137 -16.382 1.00 0.00 C ATOM 0 H ALA A 23 -6.210 -25.470 -14.193 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.498 -23.285 -15.311 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.875 -24.794 -17.241 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.236 -24.989 -16.576 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.492 -26.196 -16.214 1.00 0.00 H new ATOM 343 N GLY A 24 -9.971 -23.488 -15.191 1.00 0.00 N ATOM 344 CA GLY A 24 -11.413 -23.543 -14.985 1.00 0.00 C ATOM 345 C GLY A 24 -11.772 -23.290 -13.522 1.00 0.00 C ATOM 346 O GLY A 24 -12.899 -23.547 -13.101 1.00 0.00 O ATOM 0 H GLY A 24 -9.629 -22.609 -15.580 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.902 -22.800 -15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.790 -24.519 -15.291 1.00 0.00 H new ATOM 350 N GLN A 25 -10.811 -22.788 -12.747 1.00 0.00 N ATOM 351 CA GLN A 25 -11.056 -22.516 -11.335 1.00 0.00 C ATOM 352 C GLN A 25 -10.853 -21.036 -11.030 1.00 0.00 C ATOM 353 O GLN A 25 -10.099 -20.346 -11.717 1.00 0.00 O ATOM 354 CB GLN A 25 -10.124 -23.358 -10.465 1.00 0.00 C ATOM 355 CG GLN A 25 -10.372 -24.842 -10.745 1.00 0.00 C ATOM 356 CD GLN A 25 -11.830 -25.185 -10.466 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.323 -24.965 -9.359 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.558 -25.717 -11.410 1.00 0.00 N ATOM 0 H GLN A 25 -9.869 -22.565 -13.069 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.089 -22.780 -11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.085 -23.105 -10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.298 -23.141 -9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.127 -25.071 -11.782 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.720 -25.453 -10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.150 -25.899 -12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.535 -25.950 -11.231 1.00 0.00 H new ATOM 367 N GLN A 26 -11.538 -20.556 -9.998 1.00 0.00 N ATOM 368 CA GLN A 26 -11.433 -19.155 -9.613 1.00 0.00 C ATOM 369 C GLN A 26 -10.478 -18.984 -8.437 1.00 0.00 C ATOM 370 O GLN A 26 -10.621 -19.640 -7.404 1.00 0.00 O ATOM 371 CB GLN A 26 -12.814 -18.616 -9.234 1.00 0.00 C ATOM 372 CG GLN A 26 -13.692 -18.536 -10.484 1.00 0.00 C ATOM 373 CD GLN A 26 -15.128 -18.200 -10.094 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.569 -18.543 -8.996 1.00 0.00 O ATOM 375 NE2 GLN A 26 -15.887 -17.547 -10.930 1.00 0.00 N ATOM 0 H GLN A 26 -12.167 -21.111 -9.418 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.041 -18.595 -10.462 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.278 -19.265 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.719 -17.630 -8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.304 -17.777 -11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.665 -19.485 -11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.519 -17.264 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.848 -17.319 -10.675 1.00 0.00 H new ATOM 384 N PHE A 27 -9.506 -18.093 -8.602 1.00 0.00 N ATOM 385 CA PHE A 27 -8.530 -17.833 -7.551 1.00 0.00 C ATOM 386 C PHE A 27 -9.219 -17.315 -6.300 1.00 0.00 C ATOM 387 O PHE A 27 -9.999 -16.364 -6.354 1.00 0.00 O ATOM 388 CB PHE A 27 -7.513 -16.796 -8.039 1.00 0.00 C ATOM 389 CG PHE A 27 -6.544 -16.468 -6.929 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.455 -17.311 -6.675 1.00 0.00 C ATOM 391 CD2 PHE A 27 -6.735 -15.320 -6.151 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.557 -17.004 -5.645 1.00 0.00 C ATOM 393 CE2 PHE A 27 -5.838 -15.013 -5.120 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.749 -15.855 -4.867 1.00 0.00 C ATOM 0 H PHE A 27 -9.374 -17.541 -9.450 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.020 -18.766 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.973 -17.182 -8.903 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.029 -15.892 -8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.308 -18.198 -7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.575 -14.670 -6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.716 -17.653 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.987 -14.127 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.057 -15.619 -4.072 1.00 0.00 H new ATOM 404 N ASP A 28 -8.926 -17.950 -5.174 1.00 0.00 N ATOM 405 CA ASP A 28 -9.523 -17.546 -3.911 1.00 0.00 C ATOM 406 C ASP A 28 -8.609 -16.567 -3.185 1.00 0.00 C ATOM 407 O ASP A 28 -7.531 -16.936 -2.720 1.00 0.00 O ATOM 408 CB ASP A 28 -9.757 -18.777 -3.037 1.00 0.00 C ATOM 409 CG ASP A 28 -10.904 -19.609 -3.602 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.058 -20.740 -3.170 1.00 0.00 O ATOM 411 OD2 ASP A 28 -11.611 -19.104 -4.457 1.00 0.00 O ATOM 0 H ASP A 28 -8.284 -18.740 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.476 -17.056 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.849 -19.378 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.988 -18.470 -2.017 1.00 0.00 H new ATOM 416 N ASP A 29 -9.047 -15.318 -3.096 1.00 0.00 N ATOM 417 CA ASP A 29 -8.259 -14.291 -2.427 1.00 0.00 C ATOM 418 C ASP A 29 -8.294 -14.477 -0.915 1.00 0.00 C ATOM 419 O ASP A 29 -7.414 -13.994 -0.204 1.00 0.00 O ATOM 420 CB ASP A 29 -8.798 -12.905 -2.786 1.00 0.00 C ATOM 421 CG ASP A 29 -10.245 -12.773 -2.324 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.834 -11.736 -2.575 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.743 -13.712 -1.725 1.00 0.00 O ATOM 0 H ASP A 29 -9.936 -14.993 -3.475 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.226 -14.380 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.186 -12.135 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.736 -12.749 -3.863 1.00 0.00 H new ATOM 428 N SER A 30 -9.313 -15.179 -0.426 1.00 0.00 N ATOM 429 CA SER A 30 -9.435 -15.412 1.008 1.00 0.00 C ATOM 430 C SER A 30 -8.356 -16.373 1.497 1.00 0.00 C ATOM 431 O SER A 30 -7.769 -16.170 2.560 1.00 0.00 O ATOM 432 CB SER A 30 -10.815 -15.988 1.326 1.00 0.00 C ATOM 433 OG SER A 30 -10.956 -17.248 0.685 1.00 0.00 O ATOM 0 H SER A 30 -10.055 -15.590 -0.992 1.00 0.00 H new ATOM 0 HA SER A 30 -9.309 -14.458 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.936 -16.100 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.594 -15.305 0.987 1.00 0.00 H new ATOM 0 HG SER A 30 -11.839 -17.621 0.888 1.00 0.00 H new ATOM 439 N ALA A 31 -8.096 -17.421 0.720 1.00 0.00 N ATOM 440 CA ALA A 31 -7.082 -18.399 1.094 1.00 0.00 C ATOM 441 C ALA A 31 -5.681 -17.805 0.976 1.00 0.00 C ATOM 442 O ALA A 31 -4.831 -18.017 1.841 1.00 0.00 O ATOM 443 CB ALA A 31 -7.191 -19.631 0.195 1.00 0.00 C ATOM 0 H ALA A 31 -8.569 -17.613 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.252 -18.685 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.430 -20.358 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.179 -20.077 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.041 -19.338 -0.844 1.00 0.00 H new ATOM 449 N TYR A 32 -5.450 -17.067 -0.104 1.00 0.00 N ATOM 450 CA TYR A 32 -4.147 -16.451 -0.332 1.00 0.00 C ATOM 451 C TYR A 32 -3.831 -15.447 0.769 1.00 0.00 C ATOM 452 O TYR A 32 -2.738 -15.457 1.339 1.00 0.00 O ATOM 453 CB TYR A 32 -4.123 -15.741 -1.684 1.00 0.00 C ATOM 454 CG TYR A 32 -2.722 -15.249 -1.962 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.301 -14.006 -1.473 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.842 -16.037 -2.715 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.004 -13.553 -1.736 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.544 -15.584 -2.977 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.125 -14.341 -2.488 1.00 0.00 C ATOM 460 OH TYR A 32 1.155 -13.894 -2.747 1.00 0.00 O ATOM 0 H TYR A 32 -6.141 -16.881 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.395 -17.240 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.445 -16.422 -2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.821 -14.904 -1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.978 -13.397 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.166 -16.995 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.681 -12.594 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.134 -16.193 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 32 1.498 -13.414 -1.965 1.00 0.00 H new ATOM 470 N GLU A 33 -4.794 -14.579 1.062 1.00 0.00 N ATOM 471 CA GLU A 33 -4.604 -13.570 2.095 1.00 0.00 C ATOM 472 C GLU A 33 -4.498 -14.232 3.461 1.00 0.00 C ATOM 473 O GLU A 33 -3.748 -13.781 4.322 1.00 0.00 O ATOM 474 CB GLU A 33 -5.775 -12.585 2.095 1.00 0.00 C ATOM 475 CG GLU A 33 -7.049 -13.309 2.528 1.00 0.00 C ATOM 476 CD GLU A 33 -7.152 -13.316 4.049 1.00 0.00 C ATOM 477 OE1 GLU A 33 -6.501 -12.493 4.673 1.00 0.00 O ATOM 478 OE2 GLU A 33 -7.879 -14.146 4.569 1.00 0.00 O ATOM 0 H GLU A 33 -5.705 -14.554 0.603 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.681 -13.029 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.567 -11.756 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.906 -12.159 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.921 -12.816 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.042 -14.332 2.151 1.00 0.00 H new ATOM 485 N GLU A 34 -5.262 -15.299 3.655 1.00 0.00 N ATOM 486 CA GLU A 34 -5.247 -16.009 4.926 1.00 0.00 C ATOM 487 C GLU A 34 -3.860 -16.584 5.207 1.00 0.00 C ATOM 488 O GLU A 34 -3.341 -16.455 6.316 1.00 0.00 O ATOM 489 CB GLU A 34 -6.274 -17.143 4.903 1.00 0.00 C ATOM 490 CG GLU A 34 -6.243 -17.887 6.238 1.00 0.00 C ATOM 491 CD GLU A 34 -6.646 -16.946 7.368 1.00 0.00 C ATOM 492 OE1 GLU A 34 -6.333 -17.252 8.507 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.259 -15.933 7.079 1.00 0.00 O ATOM 0 H GLU A 34 -5.894 -15.689 2.956 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.501 -15.302 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.271 -16.741 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.054 -17.831 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.921 -18.740 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.243 -18.281 6.421 1.00 0.00 H new ATOM 500 N ALA A 35 -3.266 -17.219 4.199 1.00 0.00 N ATOM 501 CA ALA A 35 -1.942 -17.810 4.360 1.00 0.00 C ATOM 502 C ALA A 35 -0.889 -16.744 4.656 1.00 0.00 C ATOM 503 O ALA A 35 -0.038 -16.926 5.526 1.00 0.00 O ATOM 504 CB ALA A 35 -1.554 -18.568 3.090 1.00 0.00 C ATOM 0 H ALA A 35 -3.676 -17.336 3.272 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.982 -18.497 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.564 -19.007 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.280 -19.359 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.540 -17.879 2.245 1.00 0.00 H new ATOM 510 N TYR A 36 -0.940 -15.639 3.916 1.00 0.00 N ATOM 511 CA TYR A 36 0.029 -14.563 4.103 1.00 0.00 C ATOM 512 C TYR A 36 -0.472 -13.546 5.124 1.00 0.00 C ATOM 513 O TYR A 36 0.282 -12.688 5.580 1.00 0.00 O ATOM 514 CB TYR A 36 0.284 -13.861 2.767 1.00 0.00 C ATOM 515 CG TYR A 36 0.926 -14.830 1.804 1.00 0.00 C ATOM 516 CD1 TYR A 36 0.146 -15.483 0.841 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.303 -15.078 1.874 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.742 -16.382 -0.052 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.899 -15.976 0.982 1.00 0.00 C ATOM 520 CZ TYR A 36 2.119 -16.629 0.019 1.00 0.00 C ATOM 521 OH TYR A 36 2.707 -17.515 -0.861 1.00 0.00 O ATOM 0 H TYR A 36 -1.634 -15.466 3.189 1.00 0.00 H new ATOM 0 HA TYR A 36 0.956 -14.999 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.654 -13.489 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.931 -12.997 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.916 -15.293 0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.905 -14.576 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.140 -16.885 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.961 -16.166 1.036 1.00 0.00 H new ATOM 0 HH TYR A 36 3.668 -17.570 -0.677 1.00 0.00 H new ATOM 531 N GLY A 37 -1.745 -13.654 5.479 1.00 0.00 N ATOM 532 CA GLY A 37 -2.337 -12.744 6.451 1.00 0.00 C ATOM 533 C GLY A 37 -2.510 -11.347 5.862 1.00 0.00 C ATOM 534 O GLY A 37 -2.661 -10.372 6.598 1.00 0.00 O ATOM 0 H GLY A 37 -2.385 -14.358 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.305 -13.129 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.705 -12.692 7.337 1.00 0.00 H new ATOM 538 N VAL A 38 -2.492 -11.253 4.536 1.00 0.00 N ATOM 539 CA VAL A 38 -2.653 -9.960 3.878 1.00 0.00 C ATOM 540 C VAL A 38 -3.743 -10.026 2.812 1.00 0.00 C ATOM 541 O VAL A 38 -3.831 -10.993 2.057 1.00 0.00 O ATOM 542 CB VAL A 38 -1.332 -9.535 3.233 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.270 -9.352 4.317 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.876 -10.616 2.250 1.00 0.00 C ATOM 0 H VAL A 38 -2.369 -12.044 3.903 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.945 -9.228 4.631 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.473 -8.594 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.671 -9.049 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.595 -8.584 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.128 -10.292 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.065 -10.315 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.735 -11.556 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.633 -10.747 1.477 1.00 0.00 H new ATOM 554 N SER A 39 -4.571 -8.989 2.767 1.00 0.00 N ATOM 555 CA SER A 39 -5.664 -8.932 1.802 1.00 0.00 C ATOM 556 C SER A 39 -5.137 -8.878 0.372 1.00 0.00 C ATOM 557 O SER A 39 -4.184 -8.158 0.074 1.00 0.00 O ATOM 558 CB SER A 39 -6.531 -7.701 2.072 1.00 0.00 C ATOM 559 OG SER A 39 -7.550 -7.619 1.083 1.00 0.00 O ATOM 0 H SER A 39 -4.508 -8.179 3.384 1.00 0.00 H new ATOM 0 HA SER A 39 -6.261 -9.837 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.976 -7.766 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.918 -6.800 2.055 1.00 0.00 H new ATOM 0 HG SER A 39 -8.109 -6.832 1.254 1.00 0.00 H new ATOM 565 N VAL A 40 -5.774 -9.643 -0.510 1.00 0.00 N ATOM 566 CA VAL A 40 -5.379 -9.680 -1.914 1.00 0.00 C ATOM 567 C VAL A 40 -6.301 -8.795 -2.745 1.00 0.00 C ATOM 568 O VAL A 40 -7.511 -9.017 -2.792 1.00 0.00 O ATOM 569 CB VAL A 40 -5.437 -11.116 -2.437 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.014 -11.141 -3.906 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.488 -11.990 -1.618 1.00 0.00 C ATOM 0 H VAL A 40 -6.564 -10.244 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.358 -9.308 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.454 -11.497 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.055 -12.164 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.689 -10.515 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.996 -10.762 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.527 -13.015 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.471 -11.609 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.789 -11.971 -0.570 1.00 0.00 H new ATOM 581 N PRO A 41 -5.759 -7.795 -3.385 1.00 0.00 N ATOM 582 CA PRO A 41 -6.557 -6.848 -4.221 1.00 0.00 C ATOM 583 C PRO A 41 -7.386 -7.565 -5.285 1.00 0.00 C ATOM 584 O PRO A 41 -6.887 -8.440 -5.992 1.00 0.00 O ATOM 585 CB PRO A 41 -5.488 -5.967 -4.877 1.00 0.00 C ATOM 586 CG PRO A 41 -4.310 -6.044 -3.966 1.00 0.00 C ATOM 587 CD PRO A 41 -4.328 -7.455 -3.387 1.00 0.00 C ATOM 0 HA PRO A 41 -7.282 -6.292 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.239 -6.327 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.836 -4.940 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.383 -5.855 -4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.376 -5.296 -3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.749 -8.149 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.905 -7.484 -2.383 1.00 0.00 H new ATOM 595 N SER A 42 -8.660 -7.194 -5.378 1.00 0.00 N ATOM 596 CA SER A 42 -9.567 -7.810 -6.342 1.00 0.00 C ATOM 597 C SER A 42 -9.064 -7.619 -7.769 1.00 0.00 C ATOM 598 O SER A 42 -9.171 -8.523 -8.597 1.00 0.00 O ATOM 599 CB SER A 42 -10.961 -7.197 -6.207 1.00 0.00 C ATOM 600 OG SER A 42 -11.834 -7.805 -7.150 1.00 0.00 O ATOM 0 H SER A 42 -9.087 -6.471 -4.799 1.00 0.00 H new ATOM 0 HA SER A 42 -9.611 -8.878 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.340 -7.345 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.916 -6.121 -6.377 1.00 0.00 H new ATOM 0 HG SER A 42 -12.729 -7.416 -7.065 1.00 0.00 H new ATOM 606 N ALA A 43 -8.526 -6.440 -8.056 1.00 0.00 N ATOM 607 CA ALA A 43 -8.025 -6.157 -9.395 1.00 0.00 C ATOM 608 C ALA A 43 -6.938 -7.159 -9.774 1.00 0.00 C ATOM 609 O ALA A 43 -6.884 -7.630 -10.906 1.00 0.00 O ATOM 610 CB ALA A 43 -7.459 -4.737 -9.454 1.00 0.00 C ATOM 0 H ALA A 43 -8.426 -5.674 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.851 -6.244 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.087 -4.535 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.244 -4.022 -9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.642 -4.641 -8.739 1.00 0.00 H new ATOM 616 N VAL A 44 -6.083 -7.493 -8.816 1.00 0.00 N ATOM 617 CA VAL A 44 -5.019 -8.458 -9.064 1.00 0.00 C ATOM 618 C VAL A 44 -5.604 -9.850 -9.313 1.00 0.00 C ATOM 619 O VAL A 44 -5.146 -10.585 -10.188 1.00 0.00 O ATOM 620 CB VAL A 44 -4.067 -8.508 -7.867 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.083 -9.665 -8.044 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.294 -7.190 -7.778 1.00 0.00 C ATOM 0 H VAL A 44 -6.104 -7.115 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.469 -8.143 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.640 -8.657 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.405 -9.700 -7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.633 -10.604 -8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.508 -9.517 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.615 -7.223 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.721 -7.042 -8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.995 -6.365 -7.651 1.00 0.00 H new ATOM 632 N VAL A 45 -6.609 -10.204 -8.516 1.00 0.00 N ATOM 633 CA VAL A 45 -7.257 -11.512 -8.616 1.00 0.00 C ATOM 634 C VAL A 45 -7.935 -11.725 -9.970 1.00 0.00 C ATOM 635 O VAL A 45 -7.860 -12.817 -10.531 1.00 0.00 O ATOM 636 CB VAL A 45 -8.300 -11.661 -7.508 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.121 -12.929 -7.747 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.594 -11.759 -6.154 1.00 0.00 C ATOM 0 H VAL A 45 -6.995 -9.601 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.475 -12.264 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.961 -10.794 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.865 -13.035 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.624 -12.861 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.461 -13.796 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.337 -11.865 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.933 -12.626 -6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.008 -10.856 -5.983 1.00 0.00 H new ATOM 648 N GLU A 46 -8.608 -10.701 -10.491 1.00 0.00 N ATOM 649 CA GLU A 46 -9.292 -10.853 -11.772 1.00 0.00 C ATOM 650 C GLU A 46 -8.292 -11.236 -12.855 1.00 0.00 C ATOM 651 O GLU A 46 -8.565 -12.105 -13.683 1.00 0.00 O ATOM 652 CB GLU A 46 -10.000 -9.555 -12.167 1.00 0.00 C ATOM 653 CG GLU A 46 -8.990 -8.596 -12.798 1.00 0.00 C ATOM 654 CD GLU A 46 -9.595 -7.200 -12.907 1.00 0.00 C ATOM 655 OE1 GLU A 46 -9.807 -6.585 -11.876 1.00 0.00 O ATOM 656 OE2 GLU A 46 -9.840 -6.769 -14.021 1.00 0.00 O ATOM 0 H GLU A 46 -8.694 -9.781 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.037 -11.642 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.805 -9.767 -12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.456 -9.095 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.082 -8.562 -12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.703 -8.955 -13.786 1.00 0.00 H new ATOM 663 N GLU A 47 -7.134 -10.580 -12.852 1.00 0.00 N ATOM 664 CA GLU A 47 -6.116 -10.870 -13.851 1.00 0.00 C ATOM 665 C GLU A 47 -5.723 -12.337 -13.775 1.00 0.00 C ATOM 666 O GLU A 47 -5.628 -13.016 -14.798 1.00 0.00 O ATOM 667 CB GLU A 47 -4.883 -9.993 -13.612 1.00 0.00 C ATOM 668 CG GLU A 47 -3.816 -10.314 -14.661 1.00 0.00 C ATOM 669 CD GLU A 47 -4.336 -9.977 -16.054 1.00 0.00 C ATOM 670 OE1 GLU A 47 -3.782 -10.490 -17.012 1.00 0.00 O ATOM 671 OE2 GLU A 47 -5.280 -9.208 -16.143 1.00 0.00 O ATOM 0 H GLU A 47 -6.882 -9.856 -12.179 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.520 -10.656 -14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.157 -8.939 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.488 -10.168 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.909 -9.745 -14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.549 -11.370 -14.609 1.00 0.00 H new ATOM 678 N MET A 48 -5.523 -12.833 -12.558 1.00 0.00 N ATOM 679 CA MET A 48 -5.176 -14.234 -12.375 1.00 0.00 C ATOM 680 C MET A 48 -6.338 -15.105 -12.838 1.00 0.00 C ATOM 681 O MET A 48 -6.142 -16.148 -13.462 1.00 0.00 O ATOM 682 CB MET A 48 -4.875 -14.514 -10.901 1.00 0.00 C ATOM 683 CG MET A 48 -3.566 -13.829 -10.508 1.00 0.00 C ATOM 684 SD MET A 48 -3.236 -14.120 -8.751 1.00 0.00 S ATOM 685 CE MET A 48 -1.623 -13.303 -8.685 1.00 0.00 C ATOM 0 H MET A 48 -5.594 -12.293 -11.696 1.00 0.00 H new ATOM 0 HA MET A 48 -4.288 -14.464 -12.964 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.690 -14.149 -10.277 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.801 -15.588 -10.732 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.745 -14.216 -11.112 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.630 -12.759 -10.705 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.524 -12.769 -7.740 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.833 -14.050 -8.764 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.539 -12.597 -9.511 1.00 0.00 H new ATOM 695 N ASN A 49 -7.553 -14.657 -12.526 1.00 0.00 N ATOM 696 CA ASN A 49 -8.754 -15.387 -12.909 1.00 0.00 C ATOM 697 C ASN A 49 -8.849 -15.478 -14.427 1.00 0.00 C ATOM 698 O ASN A 49 -9.204 -16.518 -14.981 1.00 0.00 O ATOM 699 CB ASN A 49 -9.990 -14.659 -12.375 1.00 0.00 C ATOM 700 CG ASN A 49 -10.028 -14.729 -10.853 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.965 -13.699 -10.181 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.133 -15.887 -10.263 1.00 0.00 N ATOM 0 H ASN A 49 -7.729 -13.794 -12.011 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.704 -16.391 -12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.975 -13.618 -12.698 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.893 -15.108 -12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.163 -15.940 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.185 -16.740 -10.820 1.00 0.00 H new ATOM 709 N ALA A 50 -8.522 -14.373 -15.092 1.00 0.00 N ATOM 710 CA ALA A 50 -8.563 -14.325 -16.547 1.00 0.00 C ATOM 711 C ALA A 50 -7.561 -15.307 -17.141 1.00 0.00 C ATOM 712 O ALA A 50 -7.847 -15.978 -18.133 1.00 0.00 O ATOM 713 CB ALA A 50 -8.244 -12.910 -17.033 1.00 0.00 C ATOM 0 H ALA A 50 -8.227 -13.504 -14.647 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.565 -14.602 -16.874 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.277 -12.883 -18.122 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.979 -12.213 -16.631 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.249 -12.624 -16.693 1.00 0.00 H new ATOM 719 N LYS A 51 -6.382 -15.376 -16.532 1.00 0.00 N ATOM 720 CA LYS A 51 -5.338 -16.270 -17.013 1.00 0.00 C ATOM 721 C LYS A 51 -5.789 -17.725 -16.941 1.00 0.00 C ATOM 722 O LYS A 51 -5.532 -18.504 -17.856 1.00 0.00 O ATOM 723 CB LYS A 51 -4.069 -16.087 -16.178 1.00 0.00 C ATOM 724 CG LYS A 51 -3.451 -14.720 -16.480 1.00 0.00 C ATOM 725 CD LYS A 51 -2.184 -14.536 -15.642 1.00 0.00 C ATOM 726 CE LYS A 51 -1.562 -13.171 -15.948 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.333 -12.990 -15.125 1.00 0.00 N ATOM 0 H LYS A 51 -6.128 -14.828 -15.711 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.131 -16.021 -18.054 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.305 -16.165 -15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.355 -16.879 -16.404 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.212 -14.643 -17.541 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.166 -13.928 -16.256 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.423 -14.609 -14.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.471 -15.330 -15.863 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.317 -13.100 -17.008 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.277 -12.377 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.090 -12.063 -15.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.580 -13.040 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.350 -13.741 -15.351 1.00 0.00 H new ATOM 741 N ALA A 52 -6.465 -18.086 -15.855 1.00 0.00 N ATOM 742 CA ALA A 52 -6.944 -19.454 -15.679 1.00 0.00 C ATOM 743 C ALA A 52 -7.910 -19.839 -16.792 1.00 0.00 C ATOM 744 O ALA A 52 -7.909 -20.976 -17.262 1.00 0.00 O ATOM 745 CB ALA A 52 -7.642 -19.592 -14.325 1.00 0.00 C ATOM 0 H ALA A 52 -6.693 -17.455 -15.087 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.085 -20.123 -15.717 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.997 -20.615 -14.201 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.939 -19.352 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.489 -18.907 -14.281 1.00 0.00 H new ATOM 751 N ALA A 53 -8.729 -18.883 -17.212 1.00 0.00 N ATOM 752 CA ALA A 53 -9.693 -19.129 -18.276 1.00 0.00 C ATOM 753 C ALA A 53 -8.980 -19.521 -19.566 1.00 0.00 C ATOM 754 O ALA A 53 -9.456 -20.373 -20.317 1.00 0.00 O ATOM 755 CB ALA A 53 -10.537 -17.876 -18.516 1.00 0.00 C ATOM 0 H ALA A 53 -8.745 -17.936 -16.835 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.342 -19.950 -17.970 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.255 -18.068 -19.313 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.070 -17.616 -17.602 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.887 -17.050 -18.805 1.00 0.00 H new ATOM 761 N GLN A 54 -7.837 -18.891 -19.818 1.00 0.00 N ATOM 762 CA GLN A 54 -7.068 -19.180 -21.023 1.00 0.00 C ATOM 763 C GLN A 54 -6.130 -20.366 -20.805 1.00 0.00 C ATOM 764 O GLN A 54 -5.581 -20.915 -21.760 1.00 0.00 O ATOM 765 CB GLN A 54 -6.250 -17.950 -21.419 1.00 0.00 C ATOM 766 CG GLN A 54 -7.193 -16.844 -21.897 1.00 0.00 C ATOM 767 CD GLN A 54 -6.418 -15.546 -22.095 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.413 -15.312 -21.423 1.00 0.00 O ATOM 769 NE2 GLN A 54 -6.827 -14.683 -22.984 1.00 0.00 N ATOM 0 H GLN A 54 -7.426 -18.183 -19.210 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.766 -19.434 -21.821 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.664 -17.601 -20.569 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.544 -18.208 -22.209 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.668 -17.139 -22.832 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.989 -16.694 -21.168 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.660 -14.879 -23.540 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.314 -13.812 -23.123 1.00 0.00 H new ATOM 778 N LEU A 55 -5.942 -20.754 -19.546 1.00 0.00 N ATOM 779 CA LEU A 55 -5.056 -21.871 -19.230 1.00 0.00 C ATOM 780 C LEU A 55 -5.646 -23.198 -19.696 1.00 0.00 C ATOM 781 O LEU A 55 -6.797 -23.522 -19.405 1.00 0.00 O ATOM 782 CB LEU A 55 -4.794 -21.932 -17.723 1.00 0.00 C ATOM 783 CG LEU A 55 -3.800 -20.839 -17.331 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.762 -20.705 -15.808 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.407 -21.216 -17.840 1.00 0.00 C ATOM 0 H LEU A 55 -6.385 -20.318 -18.737 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.117 -21.705 -19.758 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.728 -21.802 -17.176 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.399 -22.911 -17.452 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.109 -19.891 -17.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.053 -19.926 -15.529 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.754 -20.442 -15.441 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.452 -21.652 -15.367 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.695 -20.439 -17.562 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.101 -22.163 -17.396 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.431 -21.315 -18.925 1.00 0.00 H new ATOM 797 N LYS A 56 -4.832 -23.960 -20.418 1.00 0.00 N ATOM 798 CA LYS A 56 -5.251 -25.261 -20.926 1.00 0.00 C ATOM 799 C LYS A 56 -4.859 -26.360 -19.946 1.00 0.00 C ATOM 800 O LYS A 56 -4.090 -26.127 -19.013 1.00 0.00 O ATOM 801 CB LYS A 56 -4.599 -25.526 -22.286 1.00 0.00 C ATOM 802 CG LYS A 56 -5.129 -24.520 -23.310 1.00 0.00 C ATOM 803 CD LYS A 56 -4.483 -24.787 -24.672 1.00 0.00 C ATOM 804 CE LYS A 56 -5.045 -23.810 -25.704 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.690 -22.415 -25.312 1.00 0.00 N ATOM 0 H LYS A 56 -3.877 -23.699 -20.665 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.335 -25.259 -21.041 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.515 -25.442 -22.204 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.816 -26.543 -22.613 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.213 -24.602 -23.388 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.908 -23.503 -22.984 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.401 -24.675 -24.601 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.678 -25.813 -24.984 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.642 -24.036 -26.691 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.128 -23.916 -25.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.348 -21.896 -26.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.530 -21.938 -24.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.943 -22.437 -24.588 1.00 0.00 H new ATOM 819 N ASP A 57 -5.386 -27.559 -20.162 1.00 0.00 N ATOM 820 CA ASP A 57 -5.077 -28.685 -19.290 1.00 0.00 C ATOM 821 C ASP A 57 -3.568 -28.896 -19.219 1.00 0.00 C ATOM 822 O ASP A 57 -2.857 -28.670 -20.200 1.00 0.00 O ATOM 823 CB ASP A 57 -5.749 -29.954 -19.816 1.00 0.00 C ATOM 824 CG ASP A 57 -5.572 -31.093 -18.817 1.00 0.00 C ATOM 825 OD1 ASP A 57 -4.809 -30.921 -17.883 1.00 0.00 O ATOM 826 OD2 ASP A 57 -6.203 -32.121 -19.003 1.00 0.00 O ATOM 0 H ASP A 57 -6.024 -27.776 -20.927 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.454 -28.467 -18.291 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.810 -29.770 -19.985 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.317 -30.232 -20.777 1.00 0.00 H new ATOM 831 N GLY A 58 -3.082 -29.328 -18.061 1.00 0.00 N ATOM 832 CA GLY A 58 -1.655 -29.562 -17.886 1.00 0.00 C ATOM 833 C GLY A 58 -0.910 -28.264 -17.586 1.00 0.00 C ATOM 834 O GLY A 58 0.312 -28.205 -17.692 1.00 0.00 O ATOM 0 H GLY A 58 -3.650 -29.522 -17.236 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.498 -30.270 -17.072 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.246 -30.018 -18.788 1.00 0.00 H new ATOM 838 N GLU A 59 -1.654 -27.229 -17.207 1.00 0.00 N ATOM 839 CA GLU A 59 -1.043 -25.941 -16.887 1.00 0.00 C ATOM 840 C GLU A 59 -1.560 -25.413 -15.553 1.00 0.00 C ATOM 841 O GLU A 59 -2.691 -25.698 -15.159 1.00 0.00 O ATOM 842 CB GLU A 59 -1.337 -24.923 -17.989 1.00 0.00 C ATOM 843 CG GLU A 59 -0.595 -25.331 -19.263 1.00 0.00 C ATOM 844 CD GLU A 59 -0.957 -24.385 -20.402 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.321 -24.469 -21.440 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.865 -23.590 -20.221 1.00 0.00 O ATOM 0 H GLU A 59 -2.669 -27.254 -17.114 1.00 0.00 H new ATOM 0 HA GLU A 59 0.034 -26.089 -16.813 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.409 -24.874 -18.178 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.023 -23.928 -17.674 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.481 -25.310 -19.090 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.854 -26.355 -19.533 1.00 0.00 H new ATOM 853 N TRP A 60 -0.728 -24.633 -14.865 1.00 0.00 N ATOM 854 CA TRP A 60 -1.121 -24.064 -13.582 1.00 0.00 C ATOM 855 C TRP A 60 -0.659 -22.615 -13.483 1.00 0.00 C ATOM 856 O TRP A 60 0.354 -22.234 -14.069 1.00 0.00 O ATOM 857 CB TRP A 60 -0.521 -24.875 -12.431 1.00 0.00 C ATOM 858 CG TRP A 60 -0.882 -26.317 -12.594 1.00 0.00 C ATOM 859 CD1 TRP A 60 0.007 -27.325 -12.738 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.204 -26.925 -12.652 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.685 -28.516 -12.869 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.051 -28.322 -12.823 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.509 -26.408 -12.570 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.152 -29.174 -12.911 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.620 -27.264 -12.658 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.440 -28.643 -12.828 1.00 0.00 C ATOM 0 H TRP A 60 0.212 -24.384 -15.172 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.208 -24.098 -13.511 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.563 -24.760 -12.418 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.893 -24.502 -11.477 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.082 -27.218 -12.749 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.240 -29.426 -12.985 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.658 -25.346 -12.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.009 -30.236 -13.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.618 -26.857 -12.594 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.298 -29.295 -12.895 1.00 0.00 H new ATOM 877 N LEU A 61 -1.405 -21.813 -12.735 1.00 0.00 N ATOM 878 CA LEU A 61 -1.063 -20.409 -12.562 1.00 0.00 C ATOM 879 C LEU A 61 -0.358 -20.204 -11.224 1.00 0.00 C ATOM 880 O LEU A 61 -0.741 -20.800 -10.217 1.00 0.00 O ATOM 881 CB LEU A 61 -2.325 -19.547 -12.619 1.00 0.00 C ATOM 882 CG LEU A 61 -1.931 -18.078 -12.510 1.00 0.00 C ATOM 883 CD1 LEU A 61 -1.012 -17.722 -13.680 1.00 0.00 C ATOM 884 CD2 LEU A 61 -3.189 -17.207 -12.564 1.00 0.00 C ATOM 0 H LEU A 61 -2.247 -22.109 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.393 -20.110 -13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.860 -19.725 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.001 -19.816 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.413 -17.903 -11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.725 -16.673 -13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.119 -18.346 -13.644 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.537 -17.893 -14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.908 -16.157 -12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.708 -17.375 -13.508 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.848 -17.468 -11.736 1.00 0.00 H new ATOM 896 N ASN A 62 0.676 -19.367 -11.215 1.00 0.00 N ATOM 897 CA ASN A 62 1.423 -19.105 -9.989 1.00 0.00 C ATOM 898 C ASN A 62 1.101 -17.720 -9.437 1.00 0.00 C ATOM 899 O ASN A 62 1.177 -16.721 -10.153 1.00 0.00 O ATOM 900 CB ASN A 62 2.924 -19.207 -10.261 1.00 0.00 C ATOM 901 CG ASN A 62 3.710 -18.799 -9.017 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.158 -17.658 -8.913 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.901 -19.668 -8.061 1.00 0.00 N ATOM 0 H ASN A 62 1.013 -18.863 -12.035 1.00 0.00 H new ATOM 0 HA ASN A 62 1.131 -19.851 -9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.182 -20.227 -10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.194 -18.564 -11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.423 -19.401 -7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.529 -20.613 -8.149 1.00 0.00 H new ATOM 910 N VAL A 63 0.746 -17.669 -8.158 1.00 0.00 N ATOM 911 CA VAL A 63 0.420 -16.403 -7.509 1.00 0.00 C ATOM 912 C VAL A 63 1.413 -16.118 -6.386 1.00 0.00 C ATOM 913 O VAL A 63 1.654 -16.968 -5.530 1.00 0.00 O ATOM 914 CB VAL A 63 -0.997 -16.456 -6.939 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.314 -15.132 -6.241 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.995 -16.686 -8.075 1.00 0.00 C ATOM 0 H VAL A 63 0.677 -18.486 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 63 0.479 -15.605 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.071 -17.273 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.324 -15.168 -5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.602 -14.968 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.241 -14.315 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.006 -16.724 -7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.923 -15.870 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.768 -17.629 -8.573 1.00 0.00 H new ATOM 926 N SER A 64 1.994 -14.921 -6.400 1.00 0.00 N ATOM 927 CA SER A 64 2.966 -14.540 -5.383 1.00 0.00 C ATOM 928 C SER A 64 2.946 -13.027 -5.178 1.00 0.00 C ATOM 929 O SER A 64 2.277 -12.305 -5.916 1.00 0.00 O ATOM 930 CB SER A 64 4.367 -14.984 -5.804 1.00 0.00 C ATOM 931 OG SER A 64 4.771 -14.242 -6.947 1.00 0.00 O ATOM 0 H SER A 64 1.809 -14.203 -7.101 1.00 0.00 H new ATOM 0 HA SER A 64 2.702 -15.030 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.071 -14.828 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.371 -16.051 -6.029 1.00 0.00 H new ATOM 0 HG SER A 64 4.145 -14.407 -7.682 1.00 0.00 H new ATOM 937 N HIS A 65 3.677 -12.551 -4.174 1.00 0.00 N ATOM 938 CA HIS A 65 3.722 -11.121 -3.892 1.00 0.00 C ATOM 939 C HIS A 65 5.116 -10.711 -3.432 1.00 0.00 C ATOM 940 O HIS A 65 5.911 -11.553 -3.014 1.00 0.00 O ATOM 941 CB HIS A 65 2.708 -10.774 -2.801 1.00 0.00 C ATOM 942 CG HIS A 65 3.161 -11.365 -1.496 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.008 -12.710 -1.198 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.769 -10.807 -0.398 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.514 -12.915 0.030 1.00 0.00 C ATOM 946 NE2 HIS A 65 3.991 -11.787 0.563 1.00 0.00 N ATOM 0 H HIS A 65 4.240 -13.128 -3.549 1.00 0.00 H new ATOM 0 HA HIS A 65 3.476 -10.581 -4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.611 -9.692 -2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.724 -11.161 -3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.034 -9.765 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.533 -13.875 0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.425 -11.670 1.479 1.00 0.00 H new ATOM 954 N GLU A 66 5.412 -9.414 -3.510 1.00 0.00 N ATOM 955 CA GLU A 66 6.717 -8.915 -3.097 1.00 0.00 C ATOM 956 C GLU A 66 6.646 -8.331 -1.690 1.00 0.00 C ATOM 957 O GLU A 66 5.787 -7.500 -1.394 1.00 0.00 O ATOM 958 CB GLU A 66 7.194 -7.835 -4.072 1.00 0.00 C ATOM 959 CG GLU A 66 8.549 -7.295 -3.615 1.00 0.00 C ATOM 960 CD GLU A 66 9.590 -8.410 -3.641 1.00 0.00 C ATOM 961 OE1 GLU A 66 9.355 -9.397 -4.317 1.00 0.00 O ATOM 962 OE2 GLU A 66 10.608 -8.259 -2.986 1.00 0.00 O ATOM 0 H GLU A 66 4.771 -8.698 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 66 7.421 -9.747 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.276 -8.249 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.465 -7.026 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.862 -6.478 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.466 -6.887 -2.608 1.00 0.00 H new