USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 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 108:sc= -4.46! USER MOD Set 1.2: A 65 HIS :FLIP no HD1:sc= -2.67! C(o=-8.1!,f=-7.1!) USER MOD Set 2.1: A 11 ASN :FLIP amide:sc= -1.22 F(o=-5.7!,f=0.0022) USER MOD Set 2.2: A 20 TYR OH : rot 121:sc= -0.132! USER MOD Set 2.3: A 62 ASN : amide:sc= 1.22 K(o=0.0022,f=-1.5) USER MOD Set 2.4: A 64 SER OG : rot 97:sc= 0.134 USER MOD Set 3.1: A 6 SER OG : rot 9:sc= -5.49! USER MOD Set 3.2: A 48 MET CE :methyl -163:sc= -4.33! (180deg=-0.691) USER MOD Single : A 3 THR OG1 : rot 34:sc= 0.0857 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 37:sc= 0.0244 USER MOD Single : A 10 THR OG1 : rot 89:sc= -0.283! USER MOD Single : A 25 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.3) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.76 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= -0.0119 K(o=-0.012,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.785 -6.141 -4.116 1.00 0.00 N ATOM 31 CA THR A 3 3.754 -6.456 -5.540 1.00 0.00 C ATOM 32 C THR A 3 3.518 -7.942 -5.762 1.00 0.00 C ATOM 33 O THR A 3 4.205 -8.782 -5.184 1.00 0.00 O ATOM 34 CB THR A 3 5.078 -6.047 -6.187 1.00 0.00 C ATOM 35 OG1 THR A 3 5.263 -4.646 -6.048 1.00 0.00 O ATOM 36 CG2 THR A 3 5.065 -6.424 -7.668 1.00 0.00 C ATOM 0 HA THR A 3 2.933 -5.902 -5.997 1.00 0.00 H new ATOM 0 HB THR A 3 5.898 -6.568 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.873 -4.347 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.010 -6.131 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.931 -7.501 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.244 -5.909 -8.167 1.00 0.00 H new ATOM 44 N PHE A 4 2.543 -8.257 -6.605 1.00 0.00 N ATOM 45 CA PHE A 4 2.220 -9.646 -6.901 1.00 0.00 C ATOM 46 C PHE A 4 2.800 -10.049 -8.254 1.00 0.00 C ATOM 47 O PHE A 4 2.670 -9.319 -9.237 1.00 0.00 O ATOM 48 CB PHE A 4 0.703 -9.826 -6.915 1.00 0.00 C ATOM 49 CG PHE A 4 0.147 -9.571 -5.533 1.00 0.00 C ATOM 50 CD1 PHE A 4 0.108 -10.608 -4.592 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.327 -8.298 -5.193 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.408 -10.372 -3.313 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.843 -8.063 -3.912 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.882 -9.100 -2.972 1.00 0.00 C ATOM 0 H PHE A 4 1.965 -7.573 -7.093 1.00 0.00 H new ATOM 0 HA PHE A 4 2.655 -10.282 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.252 -9.139 -7.631 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.450 -10.836 -7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.476 -11.589 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.295 -7.498 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.441 -11.172 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.211 -7.082 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.278 -8.918 -1.984 1.00 0.00 H new ATOM 64 N THR A 5 3.442 -11.213 -8.298 1.00 0.00 N ATOM 65 CA THR A 5 4.039 -11.697 -9.539 1.00 0.00 C ATOM 66 C THR A 5 3.537 -13.100 -9.869 1.00 0.00 C ATOM 67 O THR A 5 3.538 -13.988 -9.017 1.00 0.00 O ATOM 68 CB THR A 5 5.563 -11.718 -9.411 1.00 0.00 C ATOM 69 OG1 THR A 5 6.031 -10.402 -9.141 1.00 0.00 O ATOM 70 CG2 THR A 5 6.180 -12.223 -10.716 1.00 0.00 C ATOM 0 H THR A 5 3.562 -11.833 -7.497 1.00 0.00 H new ATOM 0 HA THR A 5 3.749 -11.022 -10.344 1.00 0.00 H new ATOM 0 HB THR A 5 5.851 -12.382 -8.596 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.007 -10.413 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.266 -12.237 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.820 -13.231 -10.923 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.894 -11.561 -11.534 1.00 0.00 H new ATOM 78 N SER A 6 3.110 -13.291 -11.114 1.00 0.00 N ATOM 79 CA SER A 6 2.610 -14.590 -11.550 1.00 0.00 C ATOM 80 C SER A 6 3.235 -14.993 -12.882 1.00 0.00 C ATOM 81 O SER A 6 3.642 -14.141 -13.671 1.00 0.00 O ATOM 82 CB SER A 6 1.089 -14.549 -11.686 1.00 0.00 C ATOM 83 OG SER A 6 0.514 -14.283 -10.414 1.00 0.00 O ATOM 0 H SER A 6 3.100 -12.568 -11.834 1.00 0.00 H new ATOM 0 HA SER A 6 2.885 -15.330 -10.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.796 -13.779 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.721 -15.499 -12.074 1.00 0.00 H new ATOM 0 HG SER A 6 1.222 -14.051 -9.777 1.00 0.00 H new ATOM 89 N ILE A 7 3.304 -16.298 -13.128 1.00 0.00 N ATOM 90 CA ILE A 7 3.873 -16.816 -14.367 1.00 0.00 C ATOM 91 C ILE A 7 3.140 -18.092 -14.765 1.00 0.00 C ATOM 92 O ILE A 7 2.526 -18.743 -13.919 1.00 0.00 O ATOM 93 CB ILE A 7 5.361 -17.115 -14.175 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.054 -17.144 -15.537 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.522 -18.475 -13.492 1.00 0.00 C ATOM 96 CD1 ILE A 7 5.985 -15.754 -16.175 1.00 0.00 C ATOM 0 H ILE A 7 2.972 -17.017 -12.485 1.00 0.00 H new ATOM 0 HA ILE A 7 3.761 -16.070 -15.154 1.00 0.00 H new ATOM 0 HB ILE A 7 5.811 -16.340 -13.555 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.093 -17.452 -15.422 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.575 -17.878 -16.185 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.582 -18.690 -13.354 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.027 -18.456 -12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.072 -19.250 -14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.479 -15.775 -17.146 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.942 -15.464 -16.304 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.484 -15.032 -15.529 1.00 0.00 H new ATOM 108 N VAL A 8 3.195 -18.457 -16.043 1.00 0.00 N ATOM 109 CA VAL A 8 2.510 -19.667 -16.487 1.00 0.00 C ATOM 110 C VAL A 8 3.416 -20.884 -16.340 1.00 0.00 C ATOM 111 O VAL A 8 4.323 -21.106 -17.142 1.00 0.00 O ATOM 112 CB VAL A 8 2.085 -19.521 -17.948 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.394 -20.805 -18.408 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.113 -18.346 -18.081 1.00 0.00 C ATOM 0 H VAL A 8 3.693 -17.948 -16.773 1.00 0.00 H new ATOM 0 HA VAL A 8 1.627 -19.809 -15.863 1.00 0.00 H new ATOM 0 HB VAL A 8 2.964 -19.339 -18.566 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.091 -20.702 -19.450 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.084 -21.644 -18.312 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.514 -20.986 -17.790 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.809 -18.241 -19.123 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.234 -18.529 -17.463 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.603 -17.430 -17.752 1.00 0.00 H new ATOM 124 N THR A 9 3.140 -21.676 -15.310 1.00 0.00 N ATOM 125 CA THR A 9 3.897 -22.893 -15.039 1.00 0.00 C ATOM 126 C THR A 9 3.016 -23.883 -14.298 1.00 0.00 C ATOM 127 O THR A 9 2.186 -23.475 -13.486 1.00 0.00 O ATOM 128 CB THR A 9 5.122 -22.577 -14.180 1.00 0.00 C ATOM 129 OG1 THR A 9 6.267 -22.455 -15.011 1.00 0.00 O ATOM 130 CG2 THR A 9 5.328 -23.707 -13.166 1.00 0.00 C ATOM 0 H THR A 9 2.390 -21.494 -14.643 1.00 0.00 H new ATOM 0 HA THR A 9 4.224 -23.320 -15.987 1.00 0.00 H new ATOM 0 HB THR A 9 4.969 -21.637 -13.649 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.016 -22.017 -15.851 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.200 -23.488 -12.550 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.446 -23.791 -12.530 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.484 -24.647 -13.695 1.00 0.00 H new ATOM 138 N THR A 10 3.193 -25.177 -14.538 1.00 0.00 N ATOM 139 CA THR A 10 2.374 -26.138 -13.815 1.00 0.00 C ATOM 140 C THR A 10 3.233 -27.151 -13.063 1.00 0.00 C ATOM 141 O THR A 10 3.618 -28.185 -13.611 1.00 0.00 O ATOM 142 CB THR A 10 1.473 -26.878 -14.808 1.00 0.00 C ATOM 143 OG1 THR A 10 1.274 -28.219 -14.375 1.00 0.00 O ATOM 144 CG2 THR A 10 2.135 -26.885 -16.189 1.00 0.00 C ATOM 0 H THR A 10 3.865 -25.571 -15.197 1.00 0.00 H new ATOM 0 HA THR A 10 1.773 -25.594 -13.086 1.00 0.00 H new ATOM 0 HB THR A 10 0.510 -26.371 -14.864 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.492 -28.260 -13.786 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.495 -27.411 -16.897 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.283 -25.859 -16.527 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.099 -27.389 -16.128 1.00 0.00 H new ATOM 152 N ASN A 11 3.534 -26.834 -11.806 1.00 0.00 N ATOM 153 CA ASN A 11 4.353 -27.710 -10.977 1.00 0.00 C ATOM 154 C ASN A 11 3.886 -27.685 -9.535 1.00 0.00 C ATOM 155 O ASN A 11 4.643 -27.330 -8.630 1.00 0.00 O ATOM 156 CB ASN A 11 5.819 -27.280 -11.049 1.00 0.00 C ATOM 157 CG ASN A 11 5.964 -25.835 -10.581 1.00 0.00 C ATOM 158 OD1 ASN A 11 4.914 -25.193 -10.145 1.00 0.00 O flip ATOM 159 ND2 ASN A 11 7.062 -25.280 -10.606 1.00 0.00 N flip ATOM 0 H ASN A 11 3.224 -25.980 -11.342 1.00 0.00 H new ATOM 0 HA ASN A 11 4.253 -28.727 -11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.429 -27.935 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.185 -27.378 -12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.881 -25.784 -10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.154 -24.316 -10.286 1.00 0.00 H new ATOM 246 N GLU A 18 2.704 -23.108 -1.896 1.00 0.00 N ATOM 247 CA GLU A 18 2.472 -22.470 -3.185 1.00 0.00 C ATOM 248 C GLU A 18 1.005 -22.593 -3.579 1.00 0.00 C ATOM 249 O GLU A 18 0.376 -23.622 -3.332 1.00 0.00 O ATOM 250 CB GLU A 18 3.357 -23.113 -4.252 1.00 0.00 C ATOM 251 CG GLU A 18 4.825 -22.962 -3.849 1.00 0.00 C ATOM 252 CD GLU A 18 5.730 -23.582 -4.909 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.439 -24.520 -4.579 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.705 -23.107 -6.031 1.00 0.00 O ATOM 0 HA GLU A 18 2.724 -21.413 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.105 -24.168 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.183 -22.640 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.069 -21.907 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.997 -23.444 -2.887 1.00 0.00 H new ATOM 261 N PHE A 19 0.457 -21.545 -4.183 1.00 0.00 N ATOM 262 CA PHE A 19 -0.941 -21.566 -4.593 1.00 0.00 C ATOM 263 C PHE A 19 -1.055 -21.456 -6.110 1.00 0.00 C ATOM 264 O PHE A 19 -0.464 -20.566 -6.722 1.00 0.00 O ATOM 265 CB PHE A 19 -1.692 -20.404 -3.942 1.00 0.00 C ATOM 266 CG PHE A 19 -3.163 -20.504 -4.282 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.001 -21.314 -3.506 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.685 -19.797 -5.372 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.362 -21.416 -3.818 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.048 -19.898 -5.682 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.885 -20.707 -4.906 1.00 0.00 C ATOM 0 H PHE A 19 0.953 -20.680 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.380 -22.511 -4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.555 -20.428 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.290 -19.454 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.597 -21.860 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.038 -19.175 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.008 -22.041 -3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.453 -19.351 -6.521 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.935 -20.785 -5.146 1.00 0.00 H new ATOM 281 N TYR A 20 -1.820 -22.361 -6.712 1.00 0.00 N ATOM 282 CA TYR A 20 -2.005 -22.347 -8.159 1.00 0.00 C ATOM 283 C TYR A 20 -3.486 -22.402 -8.518 1.00 0.00 C ATOM 284 O TYR A 20 -4.257 -23.126 -7.889 1.00 0.00 O ATOM 285 CB TYR A 20 -1.299 -23.547 -8.793 1.00 0.00 C ATOM 286 CG TYR A 20 0.180 -23.490 -8.504 1.00 0.00 C ATOM 287 CD1 TYR A 20 1.021 -22.703 -9.300 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.715 -24.234 -7.446 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.394 -22.659 -9.039 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.090 -24.191 -7.182 1.00 0.00 C ATOM 291 CZ TYR A 20 2.929 -23.403 -7.981 1.00 0.00 C ATOM 292 OH TYR A 20 4.283 -23.361 -7.723 1.00 0.00 O ATOM 0 H TYR A 20 -2.318 -23.107 -6.226 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.577 -21.420 -8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.718 -24.474 -8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.467 -23.551 -9.870 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.609 -22.129 -10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.067 -24.842 -6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.041 -22.051 -9.654 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.502 -24.764 -6.365 1.00 0.00 H new ATOM 0 HH TYR A 20 4.432 -23.031 -6.812 1.00 0.00 H new ATOM 302 N VAL A 21 -3.876 -21.646 -9.539 1.00 0.00 N ATOM 303 CA VAL A 21 -5.268 -21.637 -9.975 1.00 0.00 C ATOM 304 C VAL A 21 -5.463 -22.631 -11.111 1.00 0.00 C ATOM 305 O VAL A 21 -4.841 -22.513 -12.166 1.00 0.00 O ATOM 306 CB VAL A 21 -5.668 -20.240 -10.456 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.098 -20.279 -10.995 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.601 -19.253 -9.288 1.00 0.00 C ATOM 0 H VAL A 21 -3.256 -21.038 -10.075 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.895 -21.918 -9.129 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.984 -19.922 -11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.385 -19.285 -11.338 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.154 -20.980 -11.827 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.776 -20.600 -10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.886 -18.260 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.284 -19.573 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.585 -19.222 -8.895 1.00 0.00 H new ATOM 318 N GLU A 22 -6.330 -23.613 -10.891 1.00 0.00 N ATOM 319 CA GLU A 22 -6.593 -24.617 -11.911 1.00 0.00 C ATOM 320 C GLU A 22 -7.374 -23.999 -13.062 1.00 0.00 C ATOM 321 O GLU A 22 -8.242 -23.152 -12.849 1.00 0.00 O ATOM 322 CB GLU A 22 -7.392 -25.776 -11.313 1.00 0.00 C ATOM 323 CG GLU A 22 -6.557 -26.474 -10.238 1.00 0.00 C ATOM 324 CD GLU A 22 -6.771 -25.796 -8.889 1.00 0.00 C ATOM 325 OE1 GLU A 22 -7.385 -24.742 -8.869 1.00 0.00 O ATOM 326 OE2 GLU A 22 -6.318 -26.343 -7.896 1.00 0.00 O ATOM 0 H GLU A 22 -6.856 -23.734 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.641 -24.994 -12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.322 -25.406 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.663 -26.485 -12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.837 -27.525 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.501 -26.441 -10.507 1.00 0.00 H new ATOM 333 N ALA A 23 -7.058 -24.415 -14.284 1.00 0.00 N ATOM 334 CA ALA A 23 -7.744 -23.872 -15.447 1.00 0.00 C ATOM 335 C ALA A 23 -9.248 -23.891 -15.217 1.00 0.00 C ATOM 336 O ALA A 23 -9.821 -24.921 -14.864 1.00 0.00 O ATOM 337 CB ALA A 23 -7.402 -24.697 -16.689 1.00 0.00 C ATOM 0 H ALA A 23 -6.344 -25.114 -14.492 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.418 -22.843 -15.601 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.920 -24.283 -17.554 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.326 -24.667 -16.861 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.716 -25.730 -16.538 1.00 0.00 H new ATOM 343 N GLY A 24 -9.880 -22.741 -15.411 1.00 0.00 N ATOM 344 CA GLY A 24 -11.319 -22.631 -15.212 1.00 0.00 C ATOM 345 C GLY A 24 -11.657 -22.604 -13.723 1.00 0.00 C ATOM 346 O GLY A 24 -12.814 -22.775 -13.337 1.00 0.00 O ATOM 0 H GLY A 24 -9.423 -21.877 -15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.689 -21.724 -15.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.823 -23.472 -15.689 1.00 0.00 H new ATOM 350 N GLN A 25 -10.640 -22.395 -12.890 1.00 0.00 N ATOM 351 CA GLN A 25 -10.842 -22.353 -11.447 1.00 0.00 C ATOM 352 C GLN A 25 -10.726 -20.923 -10.931 1.00 0.00 C ATOM 353 O GLN A 25 -9.770 -20.216 -11.249 1.00 0.00 O ATOM 354 CB GLN A 25 -9.805 -23.235 -10.749 1.00 0.00 C ATOM 355 CG GLN A 25 -10.125 -23.320 -9.256 1.00 0.00 C ATOM 356 CD GLN A 25 -11.490 -23.970 -9.051 1.00 0.00 C ATOM 357 OE1 GLN A 25 -11.723 -25.085 -9.518 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.409 -23.337 -8.376 1.00 0.00 N ATOM 0 H GLN A 25 -9.675 -22.253 -13.188 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.843 -22.726 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.806 -24.232 -11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.806 -22.824 -10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.357 -23.899 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.118 -22.322 -8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.213 -22.413 -7.990 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.324 -23.766 -8.234 1.00 0.00 H new ATOM 367 N GLN A 26 -11.706 -20.503 -10.138 1.00 0.00 N ATOM 368 CA GLN A 26 -11.701 -19.151 -9.591 1.00 0.00 C ATOM 369 C GLN A 26 -10.669 -19.021 -8.477 1.00 0.00 C ATOM 370 O GLN A 26 -10.677 -19.789 -7.514 1.00 0.00 O ATOM 371 CB GLN A 26 -13.084 -18.801 -9.043 1.00 0.00 C ATOM 372 CG GLN A 26 -13.081 -17.360 -8.529 1.00 0.00 C ATOM 373 CD GLN A 26 -14.472 -16.984 -8.031 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.413 -17.765 -8.165 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.658 -15.826 -7.456 1.00 0.00 N ATOM 0 H GLN A 26 -12.506 -21.072 -9.862 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.441 -18.462 -10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.836 -18.918 -9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.351 -19.485 -8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.355 -17.254 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.774 -16.681 -9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.876 -15.180 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.585 -15.568 -7.117 1.00 0.00 H new ATOM 384 N PHE A 27 -9.787 -18.041 -8.616 1.00 0.00 N ATOM 385 CA PHE A 27 -8.753 -17.805 -7.618 1.00 0.00 C ATOM 386 C PHE A 27 -9.369 -17.380 -6.296 1.00 0.00 C ATOM 387 O PHE A 27 -10.142 -16.422 -6.236 1.00 0.00 O ATOM 388 CB PHE A 27 -7.801 -16.715 -8.109 1.00 0.00 C ATOM 389 CG PHE A 27 -6.811 -16.372 -7.022 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.696 -17.187 -6.806 1.00 0.00 C ATOM 391 CD2 PHE A 27 -7.014 -15.237 -6.227 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.780 -16.870 -5.795 1.00 0.00 C ATOM 393 CE2 PHE A 27 -6.098 -14.918 -5.216 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.981 -15.735 -5.001 1.00 0.00 C ATOM 0 H PHE A 27 -9.766 -17.398 -9.408 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.203 -18.733 -7.466 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.273 -17.055 -9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.366 -15.827 -8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.541 -18.062 -7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.876 -14.608 -6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.919 -17.501 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.253 -14.043 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.274 -15.489 -4.222 1.00 0.00 H new ATOM 404 N ASP A 28 -9.020 -18.096 -5.236 1.00 0.00 N ATOM 405 CA ASP A 28 -9.544 -17.784 -3.916 1.00 0.00 C ATOM 406 C ASP A 28 -8.662 -16.748 -3.232 1.00 0.00 C ATOM 407 O ASP A 28 -7.558 -17.054 -2.780 1.00 0.00 O ATOM 408 CB ASP A 28 -9.595 -19.057 -3.071 1.00 0.00 C ATOM 409 CG ASP A 28 -10.710 -19.969 -3.568 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.732 -21.120 -3.163 1.00 0.00 O ATOM 411 OD2 ASP A 28 -11.526 -19.504 -4.347 1.00 0.00 O ATOM 0 H ASP A 28 -8.381 -18.891 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.550 -17.377 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.638 -19.577 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.762 -18.802 -2.024 1.00 0.00 H new ATOM 416 N ASP A 29 -9.157 -15.517 -3.166 1.00 0.00 N ATOM 417 CA ASP A 29 -8.407 -14.435 -2.540 1.00 0.00 C ATOM 418 C ASP A 29 -8.353 -14.606 -1.027 1.00 0.00 C ATOM 419 O ASP A 29 -7.416 -14.141 -0.377 1.00 0.00 O ATOM 420 CB ASP A 29 -9.057 -13.093 -2.880 1.00 0.00 C ATOM 421 CG ASP A 29 -10.491 -13.062 -2.363 1.00 0.00 C ATOM 422 OD1 ASP A 29 -11.159 -12.065 -2.583 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.902 -14.036 -1.753 1.00 0.00 O ATOM 0 H ASP A 29 -10.068 -15.245 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.388 -14.461 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.484 -12.279 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.047 -12.938 -3.959 1.00 0.00 H new ATOM 428 N SER A 30 -9.357 -15.272 -0.467 1.00 0.00 N ATOM 429 CA SER A 30 -9.399 -15.485 0.975 1.00 0.00 C ATOM 430 C SER A 30 -8.245 -16.372 1.431 1.00 0.00 C ATOM 431 O SER A 30 -7.597 -16.092 2.439 1.00 0.00 O ATOM 432 CB SER A 30 -10.726 -16.135 1.365 1.00 0.00 C ATOM 433 OG SER A 30 -11.790 -15.231 1.092 1.00 0.00 O ATOM 0 H SER A 30 -10.143 -15.669 -0.982 1.00 0.00 H new ATOM 0 HA SER A 30 -9.306 -14.516 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.868 -17.061 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.719 -16.397 2.423 1.00 0.00 H new ATOM 0 HG SER A 30 -12.643 -15.645 1.339 1.00 0.00 H new ATOM 439 N ALA A 31 -7.997 -17.449 0.689 1.00 0.00 N ATOM 440 CA ALA A 31 -6.922 -18.373 1.036 1.00 0.00 C ATOM 441 C ALA A 31 -5.560 -17.694 0.949 1.00 0.00 C ATOM 442 O ALA A 31 -4.696 -17.907 1.799 1.00 0.00 O ATOM 443 CB ALA A 31 -6.951 -19.579 0.096 1.00 0.00 C ATOM 0 H ALA A 31 -8.521 -17.701 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.078 -18.701 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.146 -20.265 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.909 -20.090 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.818 -19.242 -0.932 1.00 0.00 H new ATOM 449 N TYR A 32 -5.371 -16.884 -0.088 1.00 0.00 N ATOM 450 CA TYR A 32 -4.103 -16.192 -0.276 1.00 0.00 C ATOM 451 C TYR A 32 -3.809 -15.274 0.903 1.00 0.00 C ATOM 452 O TYR A 32 -2.714 -15.292 1.462 1.00 0.00 O ATOM 453 CB TYR A 32 -4.137 -15.364 -1.561 1.00 0.00 C ATOM 454 CG TYR A 32 -2.802 -14.687 -1.752 1.00 0.00 C ATOM 455 CD1 TYR A 32 -1.778 -15.344 -2.446 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.582 -13.408 -1.228 1.00 0.00 C ATOM 457 CE1 TYR A 32 -0.538 -14.720 -2.619 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.341 -12.783 -1.400 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.318 -13.441 -2.096 1.00 0.00 C ATOM 460 OH TYR A 32 0.905 -12.825 -2.267 1.00 0.00 O ATOM 0 H TYR A 32 -6.072 -16.693 -0.804 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.317 -16.944 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.358 -16.005 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.931 -14.619 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.946 -16.332 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.371 -12.903 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.250 -15.226 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.172 -11.795 -0.997 1.00 0.00 H new ATOM 0 HH TYR A 32 0.815 -12.092 -2.911 1.00 0.00 H new ATOM 470 N GLU A 33 -4.797 -14.471 1.281 1.00 0.00 N ATOM 471 CA GLU A 33 -4.625 -13.554 2.398 1.00 0.00 C ATOM 472 C GLU A 33 -4.520 -14.330 3.707 1.00 0.00 C ATOM 473 O GLU A 33 -3.854 -13.893 4.643 1.00 0.00 O ATOM 474 CB GLU A 33 -5.798 -12.574 2.467 1.00 0.00 C ATOM 475 CG GLU A 33 -7.078 -13.329 2.828 1.00 0.00 C ATOM 476 CD GLU A 33 -8.262 -12.367 2.846 1.00 0.00 C ATOM 477 OE1 GLU A 33 -9.361 -12.818 3.124 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.052 -11.194 2.580 1.00 0.00 O ATOM 0 H GLU A 33 -5.714 -14.437 0.836 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.704 -12.992 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.597 -11.803 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.920 -12.069 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.257 -14.125 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.968 -13.802 3.804 1.00 0.00 H new ATOM 485 N GLU A 34 -5.191 -15.474 3.770 1.00 0.00 N ATOM 486 CA GLU A 34 -5.161 -16.284 4.982 1.00 0.00 C ATOM 487 C GLU A 34 -3.739 -16.755 5.287 1.00 0.00 C ATOM 488 O GLU A 34 -3.254 -16.595 6.407 1.00 0.00 O ATOM 489 CB GLU A 34 -6.078 -17.497 4.819 1.00 0.00 C ATOM 490 CG GLU A 34 -6.027 -18.349 6.089 1.00 0.00 C ATOM 491 CD GLU A 34 -6.559 -17.551 7.275 1.00 0.00 C ATOM 492 OE1 GLU A 34 -6.264 -17.927 8.396 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.252 -16.573 7.042 1.00 0.00 O ATOM 0 H GLU A 34 -5.754 -15.857 3.010 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.510 -15.670 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.100 -17.170 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.766 -18.089 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.620 -19.254 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.002 -18.665 6.283 1.00 0.00 H new ATOM 500 N ALA A 35 -3.073 -17.331 4.288 1.00 0.00 N ATOM 501 CA ALA A 35 -1.706 -17.813 4.476 1.00 0.00 C ATOM 502 C ALA A 35 -0.719 -16.649 4.549 1.00 0.00 C ATOM 503 O ALA A 35 0.141 -16.601 5.429 1.00 0.00 O ATOM 504 CB ALA A 35 -1.318 -18.738 3.320 1.00 0.00 C ATOM 0 H ALA A 35 -3.451 -17.474 3.352 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.666 -18.361 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.298 -19.094 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.999 -19.589 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.380 -18.191 2.379 1.00 0.00 H new ATOM 510 N TYR A 36 -0.849 -15.721 3.606 1.00 0.00 N ATOM 511 CA TYR A 36 0.037 -14.562 3.550 1.00 0.00 C ATOM 512 C TYR A 36 -0.341 -13.536 4.614 1.00 0.00 C ATOM 513 O TYR A 36 0.484 -12.719 5.024 1.00 0.00 O ATOM 514 CB TYR A 36 -0.025 -13.922 2.162 1.00 0.00 C ATOM 515 CG TYR A 36 0.629 -14.842 1.157 1.00 0.00 C ATOM 516 CD1 TYR A 36 2.024 -14.939 1.105 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.158 -15.596 0.278 1.00 0.00 C ATOM 518 CE1 TYR A 36 2.633 -15.791 0.176 1.00 0.00 C ATOM 519 CE2 TYR A 36 0.451 -16.448 -0.651 1.00 0.00 C ATOM 520 CZ TYR A 36 1.846 -16.546 -0.702 1.00 0.00 C ATOM 521 OH TYR A 36 2.446 -17.384 -1.619 1.00 0.00 O ATOM 0 H TYR A 36 -1.557 -15.748 2.872 1.00 0.00 H new ATOM 0 HA TYR A 36 1.055 -14.900 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.062 -13.736 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.481 -12.957 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.631 -14.356 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.235 -15.520 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.710 -15.866 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.156 -17.030 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 36 1.757 -17.835 -2.150 1.00 0.00 H new ATOM 531 N GLY A 37 -1.589 -13.589 5.057 1.00 0.00 N ATOM 532 CA GLY A 37 -2.068 -12.667 6.077 1.00 0.00 C ATOM 533 C GLY A 37 -2.333 -11.284 5.490 1.00 0.00 C ATOM 534 O GLY A 37 -2.451 -10.304 6.225 1.00 0.00 O ATOM 0 H GLY A 37 -2.286 -14.258 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.983 -13.057 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.331 -12.590 6.877 1.00 0.00 H new ATOM 538 N VAL A 38 -2.428 -11.207 4.166 1.00 0.00 N ATOM 539 CA VAL A 38 -2.683 -9.928 3.514 1.00 0.00 C ATOM 540 C VAL A 38 -3.836 -10.038 2.517 1.00 0.00 C ATOM 541 O VAL A 38 -3.945 -11.014 1.777 1.00 0.00 O ATOM 542 CB VAL A 38 -1.425 -9.455 2.787 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.307 -9.218 3.803 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.982 -10.526 1.786 1.00 0.00 C ATOM 0 H VAL A 38 -2.334 -12.001 3.533 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.958 -9.206 4.283 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.639 -8.526 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.590 -8.881 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.620 -8.457 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.093 -10.147 4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.085 -10.190 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.768 -11.454 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.778 -10.698 1.061 1.00 0.00 H new ATOM 554 N SER A 39 -4.697 -9.026 2.522 1.00 0.00 N ATOM 555 CA SER A 39 -5.852 -9.003 1.630 1.00 0.00 C ATOM 556 C SER A 39 -5.419 -8.910 0.168 1.00 0.00 C ATOM 557 O SER A 39 -4.431 -8.249 -0.160 1.00 0.00 O ATOM 558 CB SER A 39 -6.749 -7.813 1.971 1.00 0.00 C ATOM 559 OG SER A 39 -7.253 -7.970 3.291 1.00 0.00 O ATOM 0 H SER A 39 -4.618 -8.212 3.132 1.00 0.00 H new ATOM 0 HA SER A 39 -6.403 -9.933 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.185 -6.883 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.573 -7.748 1.260 1.00 0.00 H new ATOM 0 HG SER A 39 -7.828 -7.208 3.515 1.00 0.00 H new ATOM 565 N VAL A 40 -6.171 -9.574 -0.702 1.00 0.00 N ATOM 566 CA VAL A 40 -5.877 -9.567 -2.132 1.00 0.00 C ATOM 567 C VAL A 40 -6.926 -8.745 -2.876 1.00 0.00 C ATOM 568 O VAL A 40 -8.121 -9.029 -2.790 1.00 0.00 O ATOM 569 CB VAL A 40 -5.870 -10.996 -2.673 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.549 -10.973 -4.168 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.807 -11.812 -1.936 1.00 0.00 C ATOM 0 H VAL A 40 -6.990 -10.125 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.894 -9.121 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.849 -11.449 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.544 -11.992 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.305 -10.389 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.569 -10.521 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.800 -12.832 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.828 -11.359 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.034 -11.827 -0.870 1.00 0.00 H new ATOM 581 N PRO A 41 -6.508 -7.736 -3.588 1.00 0.00 N ATOM 582 CA PRO A 41 -7.438 -6.850 -4.351 1.00 0.00 C ATOM 583 C PRO A 41 -8.131 -7.587 -5.497 1.00 0.00 C ATOM 584 O PRO A 41 -7.552 -8.474 -6.124 1.00 0.00 O ATOM 585 CB PRO A 41 -6.526 -5.741 -4.885 1.00 0.00 C ATOM 586 CG PRO A 41 -5.159 -6.340 -4.913 1.00 0.00 C ATOM 587 CD PRO A 41 -5.105 -7.324 -3.748 1.00 0.00 C ATOM 0 HA PRO A 41 -8.250 -6.477 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.836 -5.421 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.558 -4.861 -4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.975 -6.847 -5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.394 -5.571 -4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.459 -8.174 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.718 -6.855 -2.843 1.00 0.00 H new ATOM 595 N SER A 42 -9.384 -7.219 -5.747 1.00 0.00 N ATOM 596 CA SER A 42 -10.175 -7.848 -6.798 1.00 0.00 C ATOM 597 C SER A 42 -9.530 -7.671 -8.169 1.00 0.00 C ATOM 598 O SER A 42 -9.574 -8.577 -9.002 1.00 0.00 O ATOM 599 CB SER A 42 -11.581 -7.249 -6.818 1.00 0.00 C ATOM 600 OG SER A 42 -12.254 -7.590 -5.613 1.00 0.00 O ATOM 0 H SER A 42 -9.874 -6.486 -5.234 1.00 0.00 H new ATOM 0 HA SER A 42 -10.227 -8.915 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.526 -6.165 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.137 -7.625 -7.677 1.00 0.00 H new ATOM 0 HG SER A 42 -13.156 -7.206 -5.622 1.00 0.00 H new ATOM 606 N ALA A 43 -8.946 -6.503 -8.410 1.00 0.00 N ATOM 607 CA ALA A 43 -8.321 -6.242 -9.701 1.00 0.00 C ATOM 608 C ALA A 43 -7.218 -7.260 -9.974 1.00 0.00 C ATOM 609 O ALA A 43 -7.105 -7.780 -11.085 1.00 0.00 O ATOM 610 CB ALA A 43 -7.730 -4.830 -9.718 1.00 0.00 C ATOM 0 H ALA A 43 -8.892 -5.734 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.081 -6.327 -10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.265 -4.642 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.523 -4.102 -9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.981 -4.740 -8.931 1.00 0.00 H new ATOM 616 N VAL A 44 -6.422 -7.561 -8.954 1.00 0.00 N ATOM 617 CA VAL A 44 -5.354 -8.543 -9.103 1.00 0.00 C ATOM 618 C VAL A 44 -5.947 -9.932 -9.324 1.00 0.00 C ATOM 619 O VAL A 44 -5.477 -10.698 -10.165 1.00 0.00 O ATOM 620 CB VAL A 44 -4.471 -8.553 -7.853 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.488 -9.723 -7.932 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.691 -7.239 -7.773 1.00 0.00 C ATOM 0 H VAL A 44 -6.494 -7.145 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.747 -8.272 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.096 -8.662 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.859 -9.730 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.042 -10.660 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.862 -9.613 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.061 -7.243 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.066 -7.132 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.389 -6.404 -7.719 1.00 0.00 H new ATOM 632 N VAL A 45 -6.979 -10.244 -8.545 1.00 0.00 N ATOM 633 CA VAL A 45 -7.649 -11.539 -8.629 1.00 0.00 C ATOM 634 C VAL A 45 -8.292 -11.753 -9.997 1.00 0.00 C ATOM 635 O VAL A 45 -8.232 -12.851 -10.547 1.00 0.00 O ATOM 636 CB VAL A 45 -8.726 -11.634 -7.547 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.572 -12.888 -7.778 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.060 -11.716 -6.172 1.00 0.00 C ATOM 0 H VAL A 45 -7.371 -9.614 -7.845 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.896 -12.313 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.364 -10.752 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.340 -12.956 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.046 -12.832 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.934 -13.771 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.826 -11.784 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.422 -12.599 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.456 -10.824 -6.006 1.00 0.00 H new ATOM 648 N GLU A 46 -8.918 -10.711 -10.540 1.00 0.00 N ATOM 649 CA GLU A 46 -9.573 -10.840 -11.836 1.00 0.00 C ATOM 650 C GLU A 46 -8.559 -11.210 -12.911 1.00 0.00 C ATOM 651 O GLU A 46 -8.813 -12.091 -13.734 1.00 0.00 O ATOM 652 CB GLU A 46 -10.255 -9.523 -12.209 1.00 0.00 C ATOM 653 CG GLU A 46 -11.466 -9.300 -11.303 1.00 0.00 C ATOM 654 CD GLU A 46 -12.055 -7.915 -11.551 1.00 0.00 C ATOM 655 OE1 GLU A 46 -13.150 -7.664 -11.073 1.00 0.00 O ATOM 656 OE2 GLU A 46 -11.404 -7.127 -12.216 1.00 0.00 O ATOM 0 H GLU A 46 -8.985 -9.787 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.321 -11.630 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.553 -8.696 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.568 -9.546 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.219 -10.064 -11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.172 -9.397 -10.258 1.00 0.00 H new ATOM 663 N GLU A 47 -7.413 -10.537 -12.908 1.00 0.00 N ATOM 664 CA GLU A 47 -6.384 -10.818 -13.899 1.00 0.00 C ATOM 665 C GLU A 47 -5.900 -12.257 -13.765 1.00 0.00 C ATOM 666 O GLU A 47 -5.688 -12.946 -14.763 1.00 0.00 O ATOM 667 CB GLU A 47 -5.204 -9.861 -13.716 1.00 0.00 C ATOM 668 CG GLU A 47 -5.622 -8.450 -14.132 1.00 0.00 C ATOM 669 CD GLU A 47 -4.514 -7.458 -13.792 1.00 0.00 C ATOM 670 OE1 GLU A 47 -4.591 -6.332 -14.255 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.605 -7.838 -13.072 1.00 0.00 O ATOM 0 H GLU A 47 -7.176 -9.803 -12.240 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.811 -10.677 -14.892 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.878 -9.863 -12.676 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.357 -10.193 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.830 -8.424 -15.202 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.543 -8.169 -13.621 1.00 0.00 H new ATOM 678 N MET A 48 -5.741 -12.710 -12.526 1.00 0.00 N ATOM 679 CA MET A 48 -5.296 -14.073 -12.280 1.00 0.00 C ATOM 680 C MET A 48 -6.354 -15.056 -12.770 1.00 0.00 C ATOM 681 O MET A 48 -6.038 -16.085 -13.368 1.00 0.00 O ATOM 682 CB MET A 48 -5.058 -14.280 -10.784 1.00 0.00 C ATOM 683 CG MET A 48 -3.884 -13.410 -10.330 1.00 0.00 C ATOM 684 SD MET A 48 -2.389 -13.889 -11.229 1.00 0.00 S ATOM 685 CE MET A 48 -1.318 -12.580 -10.587 1.00 0.00 C ATOM 0 H MET A 48 -5.912 -12.158 -11.685 1.00 0.00 H new ATOM 0 HA MET A 48 -4.364 -14.246 -12.819 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.956 -14.020 -10.223 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.847 -15.330 -10.580 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.107 -12.358 -10.510 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.727 -13.524 -9.257 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.436 -12.488 -11.221 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.861 -11.635 -10.582 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.010 -12.827 -9.571 1.00 0.00 H new ATOM 695 N ASN A 49 -7.614 -14.714 -12.520 1.00 0.00 N ATOM 696 CA ASN A 49 -8.730 -15.551 -12.947 1.00 0.00 C ATOM 697 C ASN A 49 -8.811 -15.593 -14.468 1.00 0.00 C ATOM 698 O ASN A 49 -9.099 -16.633 -15.060 1.00 0.00 O ATOM 699 CB ASN A 49 -10.040 -15.005 -12.376 1.00 0.00 C ATOM 700 CG ASN A 49 -10.098 -15.258 -10.873 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.393 -16.128 -10.363 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.901 -14.546 -10.131 1.00 0.00 N ATOM 0 H ASN A 49 -7.888 -13.865 -12.025 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.568 -16.563 -12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.117 -13.936 -12.577 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.888 -15.483 -12.867 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.946 -14.710 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.484 -13.826 -10.557 1.00 0.00 H new ATOM 709 N ALA A 50 -8.555 -14.448 -15.094 1.00 0.00 N ATOM 710 CA ALA A 50 -8.602 -14.356 -16.547 1.00 0.00 C ATOM 711 C ALA A 50 -7.569 -15.285 -17.172 1.00 0.00 C ATOM 712 O ALA A 50 -7.846 -15.958 -18.166 1.00 0.00 O ATOM 713 CB ALA A 50 -8.331 -12.917 -16.990 1.00 0.00 C ATOM 0 H ALA A 50 -8.315 -13.577 -14.620 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.596 -14.656 -16.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.368 -12.858 -18.078 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.087 -12.257 -16.565 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.344 -12.609 -16.644 1.00 0.00 H new ATOM 719 N LYS A 51 -6.377 -15.316 -16.585 1.00 0.00 N ATOM 720 CA LYS A 51 -5.313 -16.168 -17.101 1.00 0.00 C ATOM 721 C LYS A 51 -5.725 -17.634 -17.033 1.00 0.00 C ATOM 722 O LYS A 51 -5.479 -18.399 -17.962 1.00 0.00 O ATOM 723 CB LYS A 51 -4.035 -15.959 -16.287 1.00 0.00 C ATOM 724 CG LYS A 51 -3.464 -14.568 -16.575 1.00 0.00 C ATOM 725 CD LYS A 51 -2.188 -14.360 -15.759 1.00 0.00 C ATOM 726 CE LYS A 51 -1.613 -12.974 -16.051 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.375 -12.770 -15.248 1.00 0.00 N ATOM 0 H LYS A 51 -6.126 -14.768 -15.762 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.129 -15.899 -18.141 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.249 -16.062 -15.223 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.301 -16.724 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.249 -14.465 -17.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.198 -13.803 -16.323 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.404 -14.458 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.456 -15.128 -16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.390 -12.878 -17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.347 -12.206 -15.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.016 -11.827 -15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.602 -12.845 -14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.326 -13.496 -15.500 1.00 0.00 H new ATOM 741 N ALA A 52 -6.364 -18.014 -15.932 1.00 0.00 N ATOM 742 CA ALA A 52 -6.815 -19.391 -15.750 1.00 0.00 C ATOM 743 C ALA A 52 -7.815 -19.779 -16.832 1.00 0.00 C ATOM 744 O ALA A 52 -7.825 -20.915 -17.306 1.00 0.00 O ATOM 745 CB ALA A 52 -7.463 -19.549 -14.374 1.00 0.00 C ATOM 0 H ALA A 52 -6.581 -17.391 -15.154 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.948 -20.048 -15.823 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.797 -20.579 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.737 -19.304 -13.599 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.318 -18.878 -14.295 1.00 0.00 H new ATOM 751 N ALA A 53 -8.655 -18.826 -17.218 1.00 0.00 N ATOM 752 CA ALA A 53 -9.659 -19.067 -18.247 1.00 0.00 C ATOM 753 C ALA A 53 -9.003 -19.446 -19.571 1.00 0.00 C ATOM 754 O ALA A 53 -9.507 -20.295 -20.305 1.00 0.00 O ATOM 755 CB ALA A 53 -10.518 -17.816 -18.440 1.00 0.00 C ATOM 0 H ALA A 53 -8.661 -17.881 -16.835 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.288 -19.896 -17.922 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.266 -18.004 -19.210 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.017 -17.569 -17.503 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.884 -16.983 -18.745 1.00 0.00 H new ATOM 761 N GLN A 54 -7.874 -18.809 -19.870 1.00 0.00 N ATOM 762 CA GLN A 54 -7.160 -19.091 -21.112 1.00 0.00 C ATOM 763 C GLN A 54 -6.222 -20.284 -20.942 1.00 0.00 C ATOM 764 O GLN A 54 -5.725 -20.838 -21.924 1.00 0.00 O ATOM 765 CB GLN A 54 -6.352 -17.864 -21.538 1.00 0.00 C ATOM 766 CG GLN A 54 -7.307 -16.749 -21.968 1.00 0.00 C ATOM 767 CD GLN A 54 -6.530 -15.457 -22.195 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.501 -15.230 -21.561 1.00 0.00 O ATOM 769 NE2 GLN A 54 -6.965 -14.589 -23.068 1.00 0.00 N ATOM 0 H GLN A 54 -7.438 -18.102 -19.278 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.895 -19.332 -21.880 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.726 -17.523 -20.713 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.684 -18.122 -22.360 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.827 -17.036 -22.882 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.068 -16.596 -21.203 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.819 -14.778 -23.593 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.451 -13.722 -23.225 1.00 0.00 H new ATOM 778 N LEU A 55 -5.979 -20.674 -19.694 1.00 0.00 N ATOM 779 CA LEU A 55 -5.091 -21.800 -19.418 1.00 0.00 C ATOM 780 C LEU A 55 -5.741 -23.129 -19.783 1.00 0.00 C ATOM 781 O LEU A 55 -6.907 -23.376 -19.477 1.00 0.00 O ATOM 782 CB LEU A 55 -4.704 -21.815 -17.936 1.00 0.00 C ATOM 783 CG LEU A 55 -3.692 -20.703 -17.658 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.522 -20.532 -16.148 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.345 -21.079 -18.280 1.00 0.00 C ATOM 0 H LEU A 55 -6.379 -20.233 -18.866 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.200 -21.674 -20.032 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.590 -21.677 -17.317 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.278 -22.783 -17.671 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.049 -19.769 -18.091 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.800 -19.739 -15.951 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.481 -20.269 -15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.163 -21.465 -15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.620 -20.289 -18.084 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.991 -22.013 -17.843 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.463 -21.204 -19.356 1.00 0.00 H new ATOM 797 N LYS A 56 -4.957 -23.986 -20.429 1.00 0.00 N ATOM 798 CA LYS A 56 -5.431 -25.303 -20.833 1.00 0.00 C ATOM 799 C LYS A 56 -5.068 -26.329 -19.765 1.00 0.00 C ATOM 800 O LYS A 56 -4.276 -26.044 -18.867 1.00 0.00 O ATOM 801 CB LYS A 56 -4.801 -25.702 -22.168 1.00 0.00 C ATOM 802 CG LYS A 56 -5.233 -24.713 -23.252 1.00 0.00 C ATOM 803 CD LYS A 56 -4.521 -25.047 -24.565 1.00 0.00 C ATOM 804 CE LYS A 56 -5.045 -26.380 -25.104 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.403 -26.672 -26.417 1.00 0.00 N ATOM 0 H LYS A 56 -3.989 -23.791 -20.684 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.514 -25.270 -20.949 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.714 -25.711 -22.081 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.108 -26.712 -22.439 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.313 -24.759 -23.391 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.994 -23.695 -22.946 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.691 -24.255 -25.295 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.445 -25.106 -24.403 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.830 -27.180 -24.396 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.128 -26.338 -25.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.759 -27.578 -26.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.630 -25.913 -27.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.372 -26.729 -26.294 1.00 0.00 H new ATOM 819 N ASP A 57 -5.643 -27.522 -19.860 1.00 0.00 N ATOM 820 CA ASP A 57 -5.353 -28.565 -18.885 1.00 0.00 C ATOM 821 C ASP A 57 -3.861 -28.875 -18.881 1.00 0.00 C ATOM 822 O ASP A 57 -3.172 -28.658 -19.877 1.00 0.00 O ATOM 823 CB ASP A 57 -6.141 -29.833 -19.225 1.00 0.00 C ATOM 824 CG ASP A 57 -5.656 -30.408 -20.550 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.223 -31.396 -20.989 1.00 0.00 O ATOM 826 OD2 ASP A 57 -4.724 -29.853 -21.109 1.00 0.00 O ATOM 0 H ASP A 57 -6.303 -27.788 -20.591 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.648 -28.214 -17.896 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.018 -30.571 -18.432 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.205 -29.605 -19.286 1.00 0.00 H new ATOM 831 N GLY A 58 -3.364 -29.376 -17.755 1.00 0.00 N ATOM 832 CA GLY A 58 -1.947 -29.703 -17.643 1.00 0.00 C ATOM 833 C GLY A 58 -1.124 -28.449 -17.359 1.00 0.00 C ATOM 834 O GLY A 58 0.104 -28.481 -17.401 1.00 0.00 O ATOM 0 H GLY A 58 -3.914 -29.563 -16.916 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.799 -30.430 -16.844 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.602 -30.169 -18.566 1.00 0.00 H new ATOM 838 N GLU A 59 -1.813 -27.347 -17.073 1.00 0.00 N ATOM 839 CA GLU A 59 -1.139 -26.086 -16.782 1.00 0.00 C ATOM 840 C GLU A 59 -1.683 -25.462 -15.503 1.00 0.00 C ATOM 841 O GLU A 59 -2.842 -25.672 -15.142 1.00 0.00 O ATOM 842 CB GLU A 59 -1.316 -25.112 -17.946 1.00 0.00 C ATOM 843 CG GLU A 59 -0.509 -25.609 -19.146 1.00 0.00 C ATOM 844 CD GLU A 59 -0.796 -24.741 -20.365 1.00 0.00 C ATOM 845 OE1 GLU A 59 -1.728 -23.957 -20.302 1.00 0.00 O ATOM 846 OE2 GLU A 59 -0.080 -24.873 -21.345 1.00 0.00 O ATOM 0 H GLU A 59 -2.831 -27.302 -17.037 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.078 -26.293 -16.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.370 -25.031 -18.210 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.982 -24.116 -17.656 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.556 -25.583 -18.914 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.764 -26.647 -19.361 1.00 0.00 H new ATOM 853 N TRP A 60 -0.842 -24.687 -14.823 1.00 0.00 N ATOM 854 CA TRP A 60 -1.252 -24.031 -13.590 1.00 0.00 C ATOM 855 C TRP A 60 -0.698 -22.612 -13.541 1.00 0.00 C ATOM 856 O TRP A 60 0.344 -22.320 -14.128 1.00 0.00 O ATOM 857 CB TRP A 60 -0.751 -24.814 -12.376 1.00 0.00 C ATOM 858 CG TRP A 60 -1.128 -26.254 -12.515 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.248 -27.274 -12.616 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.456 -26.852 -12.579 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.949 -28.461 -12.732 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.314 -28.252 -12.717 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.757 -26.319 -12.533 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.421 -29.096 -12.803 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.874 -27.167 -12.621 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.706 -28.552 -12.756 1.00 0.00 C ATOM 0 H TRP A 60 0.120 -24.500 -15.104 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.341 -23.995 -13.567 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.331 -24.718 -12.291 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.181 -24.402 -11.463 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.828 -27.178 -12.608 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.511 -29.378 -12.818 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.898 -25.253 -12.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.285 -30.163 -12.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.869 -26.749 -12.584 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.569 -29.197 -12.824 1.00 0.00 H new ATOM 877 N LEU A 61 -1.396 -21.739 -12.829 1.00 0.00 N ATOM 878 CA LEU A 61 -0.962 -20.354 -12.699 1.00 0.00 C ATOM 879 C LEU A 61 -0.259 -20.165 -11.360 1.00 0.00 C ATOM 880 O LEU A 61 -0.678 -20.730 -10.349 1.00 0.00 O ATOM 881 CB LEU A 61 -2.162 -19.414 -12.804 1.00 0.00 C ATOM 882 CG LEU A 61 -1.681 -17.967 -12.722 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.718 -17.695 -13.879 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.883 -17.026 -12.828 1.00 0.00 C ATOM 0 H LEU A 61 -2.260 -21.962 -12.335 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.267 -20.118 -13.505 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.688 -19.581 -13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.870 -19.619 -12.001 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.172 -17.800 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.370 -16.663 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.135 -18.370 -13.809 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.232 -17.858 -14.826 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.542 -15.992 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.389 -17.188 -13.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.575 -17.226 -12.010 1.00 0.00 H new ATOM 896 N ASN A 62 0.813 -19.376 -11.349 1.00 0.00 N ATOM 897 CA ASN A 62 1.557 -19.139 -10.118 1.00 0.00 C ATOM 898 C ASN A 62 1.302 -17.730 -9.593 1.00 0.00 C ATOM 899 O ASN A 62 1.504 -16.749 -10.306 1.00 0.00 O ATOM 900 CB ASN A 62 3.054 -19.323 -10.373 1.00 0.00 C ATOM 901 CG ASN A 62 3.839 -19.056 -9.093 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.356 -17.954 -8.901 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.959 -20.001 -8.202 1.00 0.00 N ATOM 0 H ASN A 62 1.182 -18.895 -12.170 1.00 0.00 H new ATOM 0 HA ASN A 62 1.220 -19.857 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.249 -20.336 -10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.383 -18.644 -11.159 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.482 -19.829 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.530 -20.912 -8.364 1.00 0.00 H new ATOM 910 N VAL A 63 0.867 -17.634 -8.340 1.00 0.00 N ATOM 911 CA VAL A 63 0.601 -16.335 -7.733 1.00 0.00 C ATOM 912 C VAL A 63 1.546 -16.105 -6.556 1.00 0.00 C ATOM 913 O VAL A 63 1.600 -16.910 -5.628 1.00 0.00 O ATOM 914 CB VAL A 63 -0.848 -16.270 -7.248 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.107 -14.913 -6.590 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.791 -16.444 -8.441 1.00 0.00 C ATOM 0 H VAL A 63 0.693 -18.433 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 63 0.764 -15.559 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.024 -17.065 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.140 -14.867 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.435 -14.786 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.931 -14.118 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.824 -16.398 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.613 -15.648 -9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.608 -17.410 -8.912 1.00 0.00 H new ATOM 926 N SER A 64 2.291 -15.004 -6.601 1.00 0.00 N ATOM 927 CA SER A 64 3.234 -14.681 -5.536 1.00 0.00 C ATOM 928 C SER A 64 3.249 -13.175 -5.286 1.00 0.00 C ATOM 929 O SER A 64 2.606 -12.414 -6.007 1.00 0.00 O ATOM 930 CB SER A 64 4.637 -15.153 -5.917 1.00 0.00 C ATOM 931 OG SER A 64 4.622 -16.562 -6.105 1.00 0.00 O ATOM 0 H SER A 64 2.260 -14.323 -7.360 1.00 0.00 H new ATOM 0 HA SER A 64 2.920 -15.191 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.965 -14.656 -6.830 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.348 -14.886 -5.135 1.00 0.00 H new ATOM 0 HG SER A 64 4.529 -16.764 -7.059 1.00 0.00 H new ATOM 937 N HIS A 65 3.986 -12.749 -4.264 1.00 0.00 N ATOM 938 CA HIS A 65 4.073 -11.330 -3.944 1.00 0.00 C ATOM 939 C HIS A 65 5.478 -10.981 -3.470 1.00 0.00 C ATOM 940 O HIS A 65 6.239 -11.859 -3.063 1.00 0.00 O ATOM 941 CB HIS A 65 3.067 -10.976 -2.847 1.00 0.00 C ATOM 942 CG HIS A 65 3.531 -11.561 -1.541 1.00 0.00 C ATOM 943 ND1 HIS A 65 4.149 -10.994 -0.453 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 3.385 -12.903 -1.234 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 4.382 -11.967 0.512 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 3.904 -13.099 -0.009 1.00 0.00 N flip ATOM 0 H HIS A 65 4.526 -13.359 -3.650 1.00 0.00 H new ATOM 0 HA HIS A 65 3.845 -10.759 -4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.971 -9.894 -2.761 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.081 -11.364 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.936 -13.656 -1.864 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.850 -11.835 1.477 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.929 -14.002 0.464 1.00 0.00 H new ATOM 954 N GLU A 66 5.822 -9.697 -3.522 1.00 0.00 N ATOM 955 CA GLU A 66 7.140 -9.252 -3.095 1.00 0.00 C ATOM 956 C GLU A 66 7.019 -8.344 -1.875 1.00 0.00 C ATOM 957 O GLU A 66 6.175 -7.449 -1.839 1.00 0.00 O ATOM 958 CB GLU A 66 7.833 -8.496 -4.231 1.00 0.00 C ATOM 959 CG GLU A 66 9.231 -8.067 -3.785 1.00 0.00 C ATOM 960 CD GLU A 66 9.949 -7.357 -4.927 1.00 0.00 C ATOM 961 OE1 GLU A 66 11.083 -6.953 -4.728 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.354 -7.229 -5.985 1.00 0.00 O ATOM 0 H GLU A 66 5.209 -8.952 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 66 7.734 -10.127 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.901 -9.130 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.245 -7.622 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.159 -7.405 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.805 -8.939 -3.470 1.00 0.00 H new