USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 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 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN :FLIP amide:sc= -5.02! C(o=-8.5!,f=-5!) USER MOD Set 2.1: A 32 TYR OH : rot 38:sc= 0.631! USER MOD Set 2.2: A 65 HIS : no HE2:sc= -3.56! C(o=-2.9!,f=-12!) USER MOD Set 3.1: A 9 THR OG1 : rot -91:sc= 0.992 USER MOD Set 3.2: A 11 ASN : amide:sc= -1.85! C(o=-0.86!,f=-12!) USER MOD Set 4.1: A 6 SER OG : rot 40:sc= -1.76! USER MOD Set 4.2: A 48 MET CE :methyl 168:sc= -2.96! (180deg=-3.68!) USER MOD Set 4.3: A 51 LYS NZ :NH3+ 173:sc=-0.00768 (180deg=-0.115) USER MOD Set 5.1: A 5 THR OG1 : rot 25:sc= 0.164 USER MOD Set 5.2: A 64 SER OG : rot 180:sc= 0.486 USER MOD Single : A 3 THR OG1 : rot 35:sc= 0.0907 USER MOD Single : A 10 THR OG1 : rot 90:sc= -0.697! USER MOD Single : A 25 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.31) USER MOD Single : A 26 GLN : amide:sc= 0.337 K(o=0.34,f=-7.6!) 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= -7.57! C(o=-7.6!,f=-21!) USER MOD Single : A 54 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.778 -6.014 -4.098 1.00 0.00 N ATOM 31 CA THR A 3 3.732 -6.344 -5.518 1.00 0.00 C ATOM 32 C THR A 3 3.447 -7.825 -5.726 1.00 0.00 C ATOM 33 O THR A 3 4.102 -8.682 -5.138 1.00 0.00 O ATOM 34 CB THR A 3 5.065 -5.983 -6.173 1.00 0.00 C ATOM 35 OG1 THR A 3 5.289 -4.585 -6.051 1.00 0.00 O ATOM 36 CG2 THR A 3 5.038 -6.380 -7.647 1.00 0.00 C ATOM 0 HA THR A 3 2.927 -5.770 -5.977 1.00 0.00 H new ATOM 0 HB THR A 3 5.872 -6.521 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.925 -4.269 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.990 -6.121 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.873 -7.454 -7.732 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.232 -5.848 -8.152 1.00 0.00 H new ATOM 44 N PHE A 4 2.462 -8.115 -6.569 1.00 0.00 N ATOM 45 CA PHE A 4 2.093 -9.493 -6.852 1.00 0.00 C ATOM 46 C PHE A 4 2.578 -9.901 -8.238 1.00 0.00 C ATOM 47 O PHE A 4 2.433 -9.149 -9.202 1.00 0.00 O ATOM 48 CB PHE A 4 0.571 -9.639 -6.785 1.00 0.00 C ATOM 49 CG PHE A 4 0.088 -9.351 -5.383 1.00 0.00 C ATOM 50 CD1 PHE A 4 0.044 -10.379 -4.435 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.318 -8.058 -5.032 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.404 -10.114 -3.135 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.766 -7.792 -3.733 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.810 -8.821 -2.784 1.00 0.00 C ATOM 0 H PHE A 4 1.908 -7.417 -7.065 1.00 0.00 H new ATOM 0 HA PHE A 4 2.561 -10.140 -6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.100 -8.953 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.280 -10.648 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.356 -11.377 -4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.285 -7.265 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.436 -10.907 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.078 -6.794 -3.463 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.157 -8.617 -1.782 1.00 0.00 H new ATOM 64 N THR A 5 3.162 -11.090 -8.328 1.00 0.00 N ATOM 65 CA THR A 5 3.673 -11.580 -9.600 1.00 0.00 C ATOM 66 C THR A 5 3.131 -12.975 -9.905 1.00 0.00 C ATOM 67 O THR A 5 2.709 -13.699 -9.003 1.00 0.00 O ATOM 68 CB THR A 5 5.201 -11.620 -9.558 1.00 0.00 C ATOM 69 OG1 THR A 5 5.622 -12.513 -8.537 1.00 0.00 O ATOM 70 CG2 THR A 5 5.743 -10.220 -9.272 1.00 0.00 C ATOM 0 H THR A 5 3.292 -11.727 -7.542 1.00 0.00 H new ATOM 0 HA THR A 5 3.343 -10.903 -10.388 1.00 0.00 H new ATOM 0 HB THR A 5 5.582 -11.963 -10.520 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.919 -13.175 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.832 -10.251 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.420 -9.537 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.364 -9.872 -8.311 1.00 0.00 H new ATOM 78 N SER A 6 3.142 -13.339 -11.185 1.00 0.00 N ATOM 79 CA SER A 6 2.642 -14.645 -11.603 1.00 0.00 C ATOM 80 C SER A 6 3.287 -15.080 -12.918 1.00 0.00 C ATOM 81 O SER A 6 3.635 -14.248 -13.755 1.00 0.00 O ATOM 82 CB SER A 6 1.123 -14.592 -11.773 1.00 0.00 C ATOM 83 OG SER A 6 0.653 -15.872 -12.178 1.00 0.00 O ATOM 0 H SER A 6 3.489 -12.753 -11.945 1.00 0.00 H new ATOM 0 HA SER A 6 2.899 -15.371 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.650 -14.297 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.854 -13.841 -12.516 1.00 0.00 H new ATOM 0 HG SER A 6 1.144 -16.569 -11.694 1.00 0.00 H new ATOM 89 N ILE A 7 3.426 -16.390 -13.098 1.00 0.00 N ATOM 90 CA ILE A 7 4.008 -16.943 -14.317 1.00 0.00 C ATOM 91 C ILE A 7 3.214 -18.180 -14.730 1.00 0.00 C ATOM 92 O ILE A 7 2.549 -18.793 -13.896 1.00 0.00 O ATOM 93 CB ILE A 7 5.472 -17.319 -14.083 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.377 -16.203 -14.613 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.790 -18.621 -14.820 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.739 -15.248 -13.473 1.00 0.00 C ATOM 0 H ILE A 7 3.143 -17.091 -12.413 1.00 0.00 H new ATOM 0 HA ILE A 7 3.966 -16.196 -15.109 1.00 0.00 H new ATOM 0 HB ILE A 7 5.644 -17.453 -13.015 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.283 -16.630 -15.044 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.871 -15.658 -15.410 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.833 -18.888 -14.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.147 -19.417 -14.446 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.617 -18.486 -15.888 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.383 -14.455 -13.853 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.829 -14.811 -13.062 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.263 -15.797 -12.691 1.00 0.00 H new ATOM 108 N VAL A 8 3.268 -18.546 -16.007 1.00 0.00 N ATOM 109 CA VAL A 8 2.518 -19.713 -16.459 1.00 0.00 C ATOM 110 C VAL A 8 3.414 -20.942 -16.584 1.00 0.00 C ATOM 111 O VAL A 8 4.170 -21.092 -17.543 1.00 0.00 O ATOM 112 CB VAL A 8 1.861 -19.420 -17.808 1.00 0.00 C ATOM 113 CG1 VAL A 8 2.936 -19.039 -18.825 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.120 -20.669 -18.295 1.00 0.00 C ATOM 0 H VAL A 8 3.807 -18.068 -16.729 1.00 0.00 H new ATOM 0 HA VAL A 8 1.752 -19.925 -15.713 1.00 0.00 H new ATOM 0 HB VAL A 8 1.155 -18.597 -17.698 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.469 -18.830 -19.787 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.466 -18.152 -18.479 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.641 -19.863 -18.935 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.651 -20.462 -19.257 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.827 -21.491 -18.406 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.354 -20.944 -17.570 1.00 0.00 H new ATOM 124 N THR A 9 3.282 -21.828 -15.606 1.00 0.00 N ATOM 125 CA THR A 9 4.024 -23.083 -15.571 1.00 0.00 C ATOM 126 C THR A 9 3.208 -24.088 -14.773 1.00 0.00 C ATOM 127 O THR A 9 2.423 -23.683 -13.914 1.00 0.00 O ATOM 128 CB THR A 9 5.388 -22.881 -14.905 1.00 0.00 C ATOM 129 OG1 THR A 9 6.171 -24.054 -15.069 1.00 0.00 O ATOM 130 CG2 THR A 9 5.189 -22.606 -13.412 1.00 0.00 C ATOM 0 H THR A 9 2.656 -21.697 -14.812 1.00 0.00 H new ATOM 0 HA THR A 9 4.192 -23.443 -16.586 1.00 0.00 H new ATOM 0 HB THR A 9 5.898 -22.035 -15.366 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.026 -24.653 -14.307 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.159 -22.462 -12.936 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.585 -21.707 -13.285 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.681 -23.453 -12.951 1.00 0.00 H new ATOM 138 N THR A 10 3.371 -25.383 -15.012 1.00 0.00 N ATOM 139 CA THR A 10 2.592 -26.327 -14.224 1.00 0.00 C ATOM 140 C THR A 10 3.464 -27.382 -13.555 1.00 0.00 C ATOM 141 O THR A 10 3.770 -28.422 -14.137 1.00 0.00 O ATOM 142 CB THR A 10 1.570 -27.027 -15.125 1.00 0.00 C ATOM 143 OG1 THR A 10 1.265 -28.306 -14.584 1.00 0.00 O ATOM 144 CG2 THR A 10 2.149 -27.193 -16.531 1.00 0.00 C ATOM 0 H THR A 10 4.000 -25.788 -15.706 1.00 0.00 H new ATOM 0 HA THR A 10 2.092 -25.758 -13.440 1.00 0.00 H new ATOM 0 HB THR A 10 0.663 -26.425 -15.179 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.511 -28.227 -13.963 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.419 -27.691 -17.169 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.384 -26.213 -16.946 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.057 -27.793 -16.482 1.00 0.00 H new ATOM 152 N ASN A 11 3.854 -27.094 -12.317 1.00 0.00 N ATOM 153 CA ASN A 11 4.688 -28.008 -11.546 1.00 0.00 C ATOM 154 C ASN A 11 4.624 -27.668 -10.059 1.00 0.00 C ATOM 155 O ASN A 11 5.647 -27.650 -9.375 1.00 0.00 O ATOM 156 CB ASN A 11 6.135 -27.911 -12.030 1.00 0.00 C ATOM 157 CG ASN A 11 6.491 -26.452 -12.304 1.00 0.00 C ATOM 158 OD1 ASN A 11 5.671 -25.699 -12.828 1.00 0.00 O ATOM 159 ND2 ASN A 11 7.670 -26.006 -11.976 1.00 0.00 N ATOM 0 H ASN A 11 3.606 -26.235 -11.827 1.00 0.00 H new ATOM 0 HA ASN A 11 4.318 -29.023 -11.689 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.808 -28.324 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.266 -28.503 -12.936 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.914 -25.032 -12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.349 -26.631 -11.542 1.00 0.00 H new ATOM 246 N GLU A 18 2.299 -22.848 -1.753 1.00 0.00 N ATOM 247 CA GLU A 18 2.139 -22.139 -3.015 1.00 0.00 C ATOM 248 C GLU A 18 0.685 -22.206 -3.467 1.00 0.00 C ATOM 249 O GLU A 18 0.026 -23.231 -3.290 1.00 0.00 O ATOM 250 CB GLU A 18 3.044 -22.757 -4.080 1.00 0.00 C ATOM 251 CG GLU A 18 4.510 -22.549 -3.695 1.00 0.00 C ATOM 252 CD GLU A 18 4.982 -23.689 -2.801 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.175 -23.767 -2.556 1.00 0.00 O ATOM 254 OE2 GLU A 18 4.146 -24.470 -2.377 1.00 0.00 O ATOM 0 HA GLU A 18 2.420 -21.095 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.831 -23.822 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.844 -22.301 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.127 -22.501 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.627 -21.597 -3.177 1.00 0.00 H new ATOM 261 N PHE A 19 0.181 -21.123 -4.047 1.00 0.00 N ATOM 262 CA PHE A 19 -1.201 -21.109 -4.508 1.00 0.00 C ATOM 263 C PHE A 19 -1.254 -21.078 -6.032 1.00 0.00 C ATOM 264 O PHE A 19 -0.674 -20.197 -6.666 1.00 0.00 O ATOM 265 CB PHE A 19 -1.940 -19.893 -3.950 1.00 0.00 C ATOM 266 CG PHE A 19 -3.403 -19.992 -4.317 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.278 -20.709 -3.491 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.884 -19.381 -5.481 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.632 -20.814 -3.828 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.239 -19.486 -5.818 1.00 0.00 C ATOM 271 CZ PHE A 19 -6.112 -20.203 -4.992 1.00 0.00 C ATOM 0 H PHE A 19 0.698 -20.258 -4.207 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.686 -22.017 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.826 -19.848 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.512 -18.975 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.907 -21.181 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.210 -18.829 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.306 -21.366 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.610 -19.014 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.157 -20.285 -5.253 1.00 0.00 H new ATOM 281 N TYR A 20 -1.962 -22.039 -6.609 1.00 0.00 N ATOM 282 CA TYR A 20 -2.095 -22.109 -8.057 1.00 0.00 C ATOM 283 C TYR A 20 -3.561 -22.248 -8.448 1.00 0.00 C ATOM 284 O TYR A 20 -4.324 -22.952 -7.786 1.00 0.00 O ATOM 285 CB TYR A 20 -1.311 -23.304 -8.602 1.00 0.00 C ATOM 286 CG TYR A 20 0.154 -23.139 -8.280 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.680 -23.694 -7.108 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.989 -22.431 -9.155 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.039 -23.542 -6.809 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.348 -22.280 -8.855 1.00 0.00 C ATOM 291 CZ TYR A 20 2.873 -22.835 -7.683 1.00 0.00 C ATOM 292 OH TYR A 20 4.213 -22.685 -7.387 1.00 0.00 O ATOM 0 H TYR A 20 -2.450 -22.776 -6.100 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.695 -21.189 -8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.688 -24.229 -8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.450 -23.382 -9.680 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.037 -24.240 -6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.584 -22.002 -10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.444 -23.970 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.992 -21.734 -9.529 1.00 0.00 H new ATOM 0 HH TYR A 20 4.649 -22.169 -8.097 1.00 0.00 H new ATOM 302 N VAL A 21 -3.949 -21.580 -9.528 1.00 0.00 N ATOM 303 CA VAL A 21 -5.328 -21.652 -9.993 1.00 0.00 C ATOM 304 C VAL A 21 -5.454 -22.689 -11.098 1.00 0.00 C ATOM 305 O VAL A 21 -4.813 -22.580 -12.144 1.00 0.00 O ATOM 306 CB VAL A 21 -5.785 -20.293 -10.525 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.205 -20.419 -11.081 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.780 -19.268 -9.390 1.00 0.00 C ATOM 0 H VAL A 21 -3.337 -20.990 -10.092 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.958 -21.938 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.106 -19.967 -11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.534 -19.452 -11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.216 -21.150 -11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.878 -20.745 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.106 -18.301 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.459 -19.594 -8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.772 -19.177 -8.986 1.00 0.00 H new ATOM 318 N GLU A 22 -6.292 -23.691 -10.866 1.00 0.00 N ATOM 319 CA GLU A 22 -6.500 -24.734 -11.856 1.00 0.00 C ATOM 320 C GLU A 22 -7.241 -24.160 -13.054 1.00 0.00 C ATOM 321 O GLU A 22 -8.092 -23.284 -12.903 1.00 0.00 O ATOM 322 CB GLU A 22 -7.309 -25.882 -11.246 1.00 0.00 C ATOM 323 CG GLU A 22 -6.459 -26.610 -10.200 1.00 0.00 C ATOM 324 CD GLU A 22 -7.305 -27.652 -9.475 1.00 0.00 C ATOM 325 OE1 GLU A 22 -6.736 -28.437 -8.736 1.00 0.00 O ATOM 326 OE2 GLU A 22 -8.509 -27.650 -9.670 1.00 0.00 O ATOM 0 H GLU A 22 -6.833 -23.802 -10.009 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.532 -25.117 -12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.218 -25.495 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.618 -26.577 -12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.608 -27.091 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.056 -25.894 -9.484 1.00 0.00 H new ATOM 333 N ALA A 23 -6.907 -24.641 -14.245 1.00 0.00 N ATOM 334 CA ALA A 23 -7.550 -24.143 -15.451 1.00 0.00 C ATOM 335 C ALA A 23 -9.066 -24.195 -15.302 1.00 0.00 C ATOM 336 O ALA A 23 -9.629 -25.219 -14.918 1.00 0.00 O ATOM 337 CB ALA A 23 -7.123 -24.981 -16.657 1.00 0.00 C ATOM 0 H ALA A 23 -6.205 -25.365 -14.400 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.244 -23.108 -15.606 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.610 -24.601 -17.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.041 -24.921 -16.777 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.413 -26.020 -16.499 1.00 0.00 H new ATOM 343 N GLY A 24 -9.720 -23.083 -15.617 1.00 0.00 N ATOM 344 CA GLY A 24 -11.173 -23.009 -15.523 1.00 0.00 C ATOM 345 C GLY A 24 -11.634 -22.878 -14.072 1.00 0.00 C ATOM 346 O GLY A 24 -12.809 -23.083 -13.770 1.00 0.00 O ATOM 0 H GLY A 24 -9.271 -22.225 -15.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.533 -22.156 -16.099 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.613 -23.902 -15.967 1.00 0.00 H new ATOM 350 N GLN A 25 -10.710 -22.541 -13.173 1.00 0.00 N ATOM 351 CA GLN A 25 -11.060 -22.399 -11.762 1.00 0.00 C ATOM 352 C GLN A 25 -10.805 -20.975 -11.275 1.00 0.00 C ATOM 353 O GLN A 25 -9.894 -20.297 -11.750 1.00 0.00 O ATOM 354 CB GLN A 25 -10.257 -23.390 -10.919 1.00 0.00 C ATOM 355 CG GLN A 25 -10.578 -24.816 -11.374 1.00 0.00 C ATOM 356 CD GLN A 25 -12.075 -25.075 -11.247 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.645 -24.923 -10.167 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.753 -25.461 -12.295 1.00 0.00 N ATOM 0 H GLN A 25 -9.730 -22.364 -13.392 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.123 -22.613 -11.653 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.190 -23.194 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.501 -23.269 -9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.262 -24.957 -12.407 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.023 -25.534 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.280 -25.587 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.755 -25.636 -12.218 1.00 0.00 H new ATOM 367 N GLN A 26 -11.630 -20.531 -10.332 1.00 0.00 N ATOM 368 CA GLN A 26 -11.513 -19.183 -9.785 1.00 0.00 C ATOM 369 C GLN A 26 -10.361 -19.078 -8.788 1.00 0.00 C ATOM 370 O GLN A 26 -9.930 -20.072 -8.205 1.00 0.00 O ATOM 371 CB GLN A 26 -12.819 -18.789 -9.093 1.00 0.00 C ATOM 372 CG GLN A 26 -13.966 -18.828 -10.106 1.00 0.00 C ATOM 373 CD GLN A 26 -14.635 -20.197 -10.087 1.00 0.00 C ATOM 374 OE1 GLN A 26 -14.005 -21.192 -9.728 1.00 0.00 O ATOM 375 NE2 GLN A 26 -15.882 -20.308 -10.453 1.00 0.00 N ATOM 0 H GLN A 26 -12.387 -21.085 -9.931 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.309 -18.505 -10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.025 -19.470 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.730 -17.790 -8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.697 -18.054 -9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.587 -18.614 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.402 -19.482 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.337 -21.221 -10.442 1.00 0.00 H new ATOM 384 N PHE A 27 -9.883 -17.853 -8.598 1.00 0.00 N ATOM 385 CA PHE A 27 -8.791 -17.595 -7.664 1.00 0.00 C ATOM 386 C PHE A 27 -9.345 -17.249 -6.287 1.00 0.00 C ATOM 387 O PHE A 27 -10.076 -16.271 -6.131 1.00 0.00 O ATOM 388 CB PHE A 27 -7.931 -16.435 -8.175 1.00 0.00 C ATOM 389 CG PHE A 27 -6.860 -16.107 -7.161 1.00 0.00 C ATOM 390 CD1 PHE A 27 -7.037 -15.034 -6.280 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.691 -16.872 -7.104 1.00 0.00 C ATOM 392 CE1 PHE A 27 -6.045 -14.726 -5.342 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.697 -16.565 -6.166 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.874 -15.492 -5.286 1.00 0.00 C ATOM 0 H PHE A 27 -10.233 -17.024 -9.077 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.179 -18.494 -7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.473 -16.702 -9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.555 -15.559 -8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.940 -14.443 -6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.554 -17.700 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.182 -13.898 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.794 -17.156 -6.122 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.107 -15.254 -4.563 1.00 0.00 H new ATOM 404 N ASP A 28 -8.995 -18.057 -5.291 1.00 0.00 N ATOM 405 CA ASP A 28 -9.470 -17.819 -3.932 1.00 0.00 C ATOM 406 C ASP A 28 -8.550 -16.838 -3.215 1.00 0.00 C ATOM 407 O ASP A 28 -7.483 -17.212 -2.730 1.00 0.00 O ATOM 408 CB ASP A 28 -9.521 -19.136 -3.158 1.00 0.00 C ATOM 409 CG ASP A 28 -10.047 -18.891 -1.748 1.00 0.00 C ATOM 410 OD1 ASP A 28 -9.278 -19.046 -0.815 1.00 0.00 O ATOM 411 OD2 ASP A 28 -11.212 -18.549 -1.623 1.00 0.00 O ATOM 0 H ASP A 28 -8.392 -18.873 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.472 -17.393 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.164 -19.848 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.526 -19.579 -3.112 1.00 0.00 H new ATOM 416 N ASP A 29 -8.972 -15.579 -3.164 1.00 0.00 N ATOM 417 CA ASP A 29 -8.178 -14.545 -2.514 1.00 0.00 C ATOM 418 C ASP A 29 -8.164 -14.728 -1.001 1.00 0.00 C ATOM 419 O ASP A 29 -7.240 -14.275 -0.325 1.00 0.00 O ATOM 420 CB ASP A 29 -8.754 -13.168 -2.850 1.00 0.00 C ATOM 421 CG ASP A 29 -10.192 -13.069 -2.350 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.808 -12.041 -2.577 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.655 -14.025 -1.749 1.00 0.00 O ATOM 0 H ASP A 29 -9.853 -15.252 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.155 -14.624 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.146 -12.388 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.722 -13.004 -3.927 1.00 0.00 H new ATOM 428 N SER A 30 -9.187 -15.391 -0.470 1.00 0.00 N ATOM 429 CA SER A 30 -9.259 -15.615 0.968 1.00 0.00 C ATOM 430 C SER A 30 -8.116 -16.507 1.442 1.00 0.00 C ATOM 431 O SER A 30 -7.465 -16.216 2.445 1.00 0.00 O ATOM 432 CB SER A 30 -10.595 -16.264 1.329 1.00 0.00 C ATOM 433 OG SER A 30 -11.652 -15.357 1.037 1.00 0.00 O ATOM 0 H SER A 30 -9.965 -15.777 -1.005 1.00 0.00 H new ATOM 0 HA SER A 30 -9.174 -14.649 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.727 -17.188 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.610 -16.530 2.386 1.00 0.00 H new ATOM 0 HG SER A 30 -12.511 -15.771 1.266 1.00 0.00 H new ATOM 439 N ALA A 31 -7.876 -17.595 0.714 1.00 0.00 N ATOM 440 CA ALA A 31 -6.807 -18.521 1.076 1.00 0.00 C ATOM 441 C ALA A 31 -5.441 -17.853 0.958 1.00 0.00 C ATOM 442 O ALA A 31 -4.583 -18.017 1.823 1.00 0.00 O ATOM 443 CB ALA A 31 -6.852 -19.749 0.164 1.00 0.00 C ATOM 0 H ALA A 31 -8.401 -17.855 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.958 -18.824 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.052 -20.436 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.814 -20.249 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.722 -19.437 -0.872 1.00 0.00 H new ATOM 449 N TYR A 32 -5.250 -17.102 -0.122 1.00 0.00 N ATOM 450 CA TYR A 32 -3.985 -16.416 -0.345 1.00 0.00 C ATOM 451 C TYR A 32 -3.721 -15.410 0.768 1.00 0.00 C ATOM 452 O TYR A 32 -2.633 -15.372 1.341 1.00 0.00 O ATOM 453 CB TYR A 32 -4.012 -15.686 -1.688 1.00 0.00 C ATOM 454 CG TYR A 32 -2.667 -15.048 -1.937 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.407 -13.754 -1.465 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.683 -15.745 -2.648 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.162 -13.160 -1.703 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.437 -15.149 -2.885 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.177 -13.857 -2.413 1.00 0.00 C ATOM 460 OH TYR A 32 1.048 -13.271 -2.648 1.00 0.00 O ATOM 0 H TYR A 32 -5.949 -16.954 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.189 -17.160 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.250 -16.385 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.793 -14.926 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.167 -13.216 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.884 -16.741 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.961 -12.163 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.323 -15.687 -3.432 1.00 0.00 H new ATOM 0 HH TYR A 32 1.318 -12.751 -1.862 1.00 0.00 H new ATOM 470 N GLU A 33 -4.728 -14.596 1.066 1.00 0.00 N ATOM 471 CA GLU A 33 -4.594 -13.588 2.110 1.00 0.00 C ATOM 472 C GLU A 33 -4.500 -14.247 3.481 1.00 0.00 C ATOM 473 O GLU A 33 -3.776 -13.777 4.356 1.00 0.00 O ATOM 474 CB GLU A 33 -5.795 -12.640 2.078 1.00 0.00 C ATOM 475 CG GLU A 33 -7.060 -13.403 2.473 1.00 0.00 C ATOM 476 CD GLU A 33 -8.273 -12.482 2.379 1.00 0.00 C ATOM 477 OE1 GLU A 33 -9.366 -12.943 2.667 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.091 -11.331 2.022 1.00 0.00 O ATOM 0 H GLU A 33 -5.637 -14.614 0.604 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.680 -13.022 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.632 -11.807 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.910 -12.216 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.195 -14.264 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.962 -13.787 3.489 1.00 0.00 H new ATOM 485 N GLU A 34 -5.249 -15.326 3.665 1.00 0.00 N ATOM 486 CA GLU A 34 -5.248 -16.024 4.944 1.00 0.00 C ATOM 487 C GLU A 34 -3.853 -16.542 5.283 1.00 0.00 C ATOM 488 O GLU A 34 -3.366 -16.347 6.396 1.00 0.00 O ATOM 489 CB GLU A 34 -6.229 -17.196 4.898 1.00 0.00 C ATOM 490 CG GLU A 34 -6.243 -17.904 6.255 1.00 0.00 C ATOM 491 CD GLU A 34 -7.256 -19.042 6.241 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.386 -19.707 7.255 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.889 -19.232 5.214 1.00 0.00 O ATOM 0 H GLU A 34 -5.858 -15.733 2.955 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.554 -15.318 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.229 -16.838 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.940 -17.896 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.250 -18.293 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.494 -17.193 7.042 1.00 0.00 H new ATOM 500 N ALA A 35 -3.210 -17.200 4.322 1.00 0.00 N ATOM 501 CA ALA A 35 -1.870 -17.733 4.548 1.00 0.00 C ATOM 502 C ALA A 35 -0.866 -16.608 4.789 1.00 0.00 C ATOM 503 O ALA A 35 -0.043 -16.681 5.701 1.00 0.00 O ATOM 504 CB ALA A 35 -1.431 -18.560 3.338 1.00 0.00 C ATOM 0 H ALA A 35 -3.589 -17.375 3.391 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.900 -18.365 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.430 -18.956 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.127 -19.386 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.423 -17.929 2.450 1.00 0.00 H new ATOM 510 N TYR A 36 -0.929 -15.578 3.950 1.00 0.00 N ATOM 511 CA TYR A 36 -0.007 -14.452 4.066 1.00 0.00 C ATOM 512 C TYR A 36 -0.480 -13.447 5.110 1.00 0.00 C ATOM 513 O TYR A 36 0.296 -12.612 5.575 1.00 0.00 O ATOM 514 CB TYR A 36 0.134 -13.756 2.710 1.00 0.00 C ATOM 515 CG TYR A 36 0.843 -14.677 1.745 1.00 0.00 C ATOM 516 CD1 TYR A 36 0.133 -15.274 0.696 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.209 -14.938 1.903 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.791 -16.131 -0.196 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.865 -15.793 1.012 1.00 0.00 C ATOM 520 CZ TYR A 36 2.157 -16.391 -0.038 1.00 0.00 C ATOM 521 OH TYR A 36 2.804 -17.235 -0.917 1.00 0.00 O ATOM 0 H TYR A 36 -1.603 -15.499 3.188 1.00 0.00 H new ATOM 0 HA TYR A 36 0.960 -14.842 4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.849 -13.491 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.694 -12.827 2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.921 -15.074 0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.756 -14.479 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.244 -16.591 -1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.919 -15.993 1.134 1.00 0.00 H new ATOM 0 HH TYR A 36 3.749 -17.307 -0.666 1.00 0.00 H new ATOM 531 N GLY A 37 -1.751 -13.530 5.479 1.00 0.00 N ATOM 532 CA GLY A 37 -2.306 -12.617 6.470 1.00 0.00 C ATOM 533 C GLY A 37 -2.546 -11.234 5.871 1.00 0.00 C ATOM 534 O GLY A 37 -2.699 -10.252 6.598 1.00 0.00 O ATOM 0 H GLY A 37 -2.413 -14.214 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.244 -13.018 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.624 -12.536 7.317 1.00 0.00 H new ATOM 538 N VAL A 38 -2.585 -11.163 4.542 1.00 0.00 N ATOM 539 CA VAL A 38 -2.815 -9.884 3.872 1.00 0.00 C ATOM 540 C VAL A 38 -3.887 -10.015 2.793 1.00 0.00 C ATOM 541 O VAL A 38 -3.912 -10.987 2.040 1.00 0.00 O ATOM 542 CB VAL A 38 -1.515 -9.386 3.241 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.485 -9.114 4.340 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.970 -10.452 2.286 1.00 0.00 C ATOM 0 H VAL A 38 -2.463 -11.960 3.917 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.160 -9.168 4.618 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.709 -8.467 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.442 -8.759 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.871 -8.356 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.291 -10.033 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.043 -10.097 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.776 -11.371 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.702 -10.647 1.503 1.00 0.00 H new ATOM 554 N SER A 39 -4.771 -9.026 2.733 1.00 0.00 N ATOM 555 CA SER A 39 -5.855 -9.026 1.755 1.00 0.00 C ATOM 556 C SER A 39 -5.316 -8.922 0.331 1.00 0.00 C ATOM 557 O SER A 39 -4.302 -8.269 0.084 1.00 0.00 O ATOM 558 CB SER A 39 -6.803 -7.857 2.026 1.00 0.00 C ATOM 559 OG SER A 39 -7.401 -8.022 3.305 1.00 0.00 O ATOM 0 H SER A 39 -4.759 -8.213 3.349 1.00 0.00 H new ATOM 0 HA SER A 39 -6.394 -9.969 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.257 -6.915 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.573 -7.812 1.255 1.00 0.00 H new ATOM 0 HG SER A 39 -8.008 -7.273 3.482 1.00 0.00 H new ATOM 565 N VAL A 40 -6.008 -9.572 -0.600 1.00 0.00 N ATOM 566 CA VAL A 40 -5.607 -9.556 -2.002 1.00 0.00 C ATOM 567 C VAL A 40 -6.560 -8.690 -2.821 1.00 0.00 C ATOM 568 O VAL A 40 -7.760 -8.960 -2.880 1.00 0.00 O ATOM 569 CB VAL A 40 -5.610 -10.978 -2.561 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.181 -10.952 -4.029 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.636 -11.844 -1.762 1.00 0.00 C ATOM 0 H VAL A 40 -6.849 -10.116 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.602 -9.139 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.614 -11.394 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.183 -11.967 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.876 -10.337 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.177 -10.534 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.639 -12.858 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.632 -11.427 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.942 -11.865 -0.716 1.00 0.00 H new ATOM 581 N PRO A 41 -6.053 -7.662 -3.448 1.00 0.00 N ATOM 582 CA PRO A 41 -6.883 -6.738 -4.280 1.00 0.00 C ATOM 583 C PRO A 41 -7.664 -7.490 -5.356 1.00 0.00 C ATOM 584 O PRO A 41 -7.130 -8.384 -6.012 1.00 0.00 O ATOM 585 CB PRO A 41 -5.846 -5.803 -4.913 1.00 0.00 C ATOM 586 CG PRO A 41 -4.677 -5.843 -3.988 1.00 0.00 C ATOM 587 CD PRO A 41 -4.638 -7.263 -3.434 1.00 0.00 C ATOM 0 HA PRO A 41 -7.637 -6.214 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.570 -6.138 -5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.236 -4.790 -5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.753 -5.602 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.787 -5.113 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.027 -7.921 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.220 -7.292 -2.428 1.00 0.00 H new ATOM 595 N SER A 42 -8.936 -7.137 -5.515 1.00 0.00 N ATOM 596 CA SER A 42 -9.791 -7.800 -6.496 1.00 0.00 C ATOM 597 C SER A 42 -9.258 -7.619 -7.915 1.00 0.00 C ATOM 598 O SER A 42 -9.425 -8.499 -8.760 1.00 0.00 O ATOM 599 CB SER A 42 -11.209 -7.239 -6.411 1.00 0.00 C ATOM 600 OG SER A 42 -11.191 -5.858 -6.751 1.00 0.00 O ATOM 0 H SER A 42 -9.396 -6.400 -4.981 1.00 0.00 H new ATOM 0 HA SER A 42 -9.798 -8.866 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.868 -7.783 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.605 -7.372 -5.404 1.00 0.00 H new ATOM 0 HG SER A 42 -12.100 -5.496 -6.699 1.00 0.00 H new ATOM 606 N ALA A 43 -8.625 -6.481 -8.182 1.00 0.00 N ATOM 607 CA ALA A 43 -8.094 -6.224 -9.516 1.00 0.00 C ATOM 608 C ALA A 43 -7.061 -7.281 -9.890 1.00 0.00 C ATOM 609 O ALA A 43 -7.047 -7.779 -11.016 1.00 0.00 O ATOM 610 CB ALA A 43 -7.446 -4.838 -9.565 1.00 0.00 C ATOM 0 H ALA A 43 -8.469 -5.734 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.918 -6.264 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.053 -4.655 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.191 -4.079 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.633 -4.791 -8.841 1.00 0.00 H new ATOM 616 N VAL A 44 -6.212 -7.635 -8.933 1.00 0.00 N ATOM 617 CA VAL A 44 -5.193 -8.652 -9.162 1.00 0.00 C ATOM 618 C VAL A 44 -5.846 -10.013 -9.387 1.00 0.00 C ATOM 619 O VAL A 44 -5.424 -10.788 -10.246 1.00 0.00 O ATOM 620 CB VAL A 44 -4.252 -8.730 -7.959 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.323 -9.936 -8.113 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.416 -7.450 -7.884 1.00 0.00 C ATOM 0 H VAL A 44 -6.208 -7.235 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.623 -8.379 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.838 -8.838 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.653 -9.991 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.917 -10.848 -8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.736 -9.829 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.745 -7.504 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.831 -7.344 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.077 -6.590 -7.774 1.00 0.00 H new ATOM 632 N VAL A 45 -6.869 -10.295 -8.587 1.00 0.00 N ATOM 633 CA VAL A 45 -7.585 -11.565 -8.666 1.00 0.00 C ATOM 634 C VAL A 45 -8.234 -11.770 -10.031 1.00 0.00 C ATOM 635 O VAL A 45 -8.188 -12.871 -10.582 1.00 0.00 O ATOM 636 CB VAL A 45 -8.664 -11.613 -7.586 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.562 -12.831 -7.811 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.002 -11.716 -6.210 1.00 0.00 C ATOM 0 H VAL A 45 -7.223 -9.658 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.858 -12.363 -8.514 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.266 -10.706 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.331 -12.863 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.034 -12.759 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.962 -13.739 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.771 -11.750 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.400 -12.623 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.363 -10.848 -6.048 1.00 0.00 H new ATOM 648 N GLU A 46 -8.847 -10.724 -10.577 1.00 0.00 N ATOM 649 CA GLU A 46 -9.502 -10.851 -11.874 1.00 0.00 C ATOM 650 C GLU A 46 -8.489 -11.230 -12.949 1.00 0.00 C ATOM 651 O GLU A 46 -8.751 -12.104 -13.776 1.00 0.00 O ATOM 652 CB GLU A 46 -10.180 -9.531 -12.251 1.00 0.00 C ATOM 653 CG GLU A 46 -11.385 -9.298 -11.340 1.00 0.00 C ATOM 654 CD GLU A 46 -12.377 -10.447 -11.480 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.703 -10.789 -12.606 1.00 0.00 O ATOM 656 OE2 GLU A 46 -12.797 -10.970 -10.461 1.00 0.00 O ATOM 0 H GLU A 46 -8.904 -9.798 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.254 -11.637 -11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.473 -8.707 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.498 -9.558 -13.293 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.057 -9.215 -10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.869 -8.356 -11.598 1.00 0.00 H new ATOM 663 N GLU A 47 -7.337 -10.568 -12.941 1.00 0.00 N ATOM 664 CA GLU A 47 -6.305 -10.851 -13.930 1.00 0.00 C ATOM 665 C GLU A 47 -5.847 -12.302 -13.828 1.00 0.00 C ATOM 666 O GLU A 47 -5.711 -12.990 -14.840 1.00 0.00 O ATOM 667 CB GLU A 47 -5.111 -9.919 -13.719 1.00 0.00 C ATOM 668 CG GLU A 47 -4.047 -10.201 -14.783 1.00 0.00 C ATOM 669 CD GLU A 47 -2.869 -9.250 -14.605 1.00 0.00 C ATOM 670 OE1 GLU A 47 -2.920 -8.438 -13.696 1.00 0.00 O ATOM 671 OE2 GLU A 47 -1.932 -9.349 -15.380 1.00 0.00 O ATOM 0 H GLU A 47 -7.096 -9.840 -12.269 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.724 -10.685 -14.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.433 -8.879 -13.778 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.693 -10.067 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.707 -11.234 -14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.475 -10.081 -15.778 1.00 0.00 H new ATOM 678 N MET A 48 -5.620 -12.769 -12.604 1.00 0.00 N ATOM 679 CA MET A 48 -5.189 -14.146 -12.395 1.00 0.00 C ATOM 680 C MET A 48 -6.284 -15.111 -12.836 1.00 0.00 C ATOM 681 O MET A 48 -6.009 -16.144 -13.448 1.00 0.00 O ATOM 682 CB MET A 48 -4.868 -14.377 -10.918 1.00 0.00 C ATOM 683 CG MET A 48 -3.621 -13.579 -10.534 1.00 0.00 C ATOM 684 SD MET A 48 -2.222 -14.114 -11.549 1.00 0.00 S ATOM 685 CE MET A 48 -2.271 -12.750 -12.738 1.00 0.00 C ATOM 0 H MET A 48 -5.726 -12.221 -11.751 1.00 0.00 H new ATOM 0 HA MET A 48 -4.293 -14.325 -12.989 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.712 -14.072 -10.300 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.704 -15.439 -10.733 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.801 -12.513 -10.677 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.394 -13.725 -9.478 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.361 -12.758 -13.339 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.137 -12.866 -13.390 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.344 -11.803 -12.203 1.00 0.00 H new ATOM 695 N ASN A 49 -7.527 -14.757 -12.530 1.00 0.00 N ATOM 696 CA ASN A 49 -8.666 -15.586 -12.906 1.00 0.00 C ATOM 697 C ASN A 49 -8.791 -15.654 -14.424 1.00 0.00 C ATOM 698 O ASN A 49 -9.089 -16.707 -14.990 1.00 0.00 O ATOM 699 CB ASN A 49 -9.951 -15.010 -12.311 1.00 0.00 C ATOM 700 CG ASN A 49 -9.967 -15.223 -10.801 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.261 -16.091 -10.288 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.735 -14.478 -10.054 1.00 0.00 N ATOM 0 H ASN A 49 -7.771 -13.905 -12.025 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.508 -16.592 -12.517 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.021 -13.946 -12.537 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.818 -15.490 -12.764 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.751 -14.614 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.319 -13.759 -10.481 1.00 0.00 H new ATOM 709 N ALA A 50 -8.556 -14.520 -15.074 1.00 0.00 N ATOM 710 CA ALA A 50 -8.639 -14.451 -16.527 1.00 0.00 C ATOM 711 C ALA A 50 -7.601 -15.368 -17.164 1.00 0.00 C ATOM 712 O ALA A 50 -7.883 -16.058 -18.142 1.00 0.00 O ATOM 713 CB ALA A 50 -8.415 -13.017 -17.004 1.00 0.00 C ATOM 0 H ALA A 50 -8.308 -13.641 -14.621 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.635 -14.777 -16.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.480 -12.981 -18.091 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.177 -12.367 -16.573 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.428 -12.678 -16.688 1.00 0.00 H new ATOM 719 N LYS A 51 -6.396 -15.364 -16.601 1.00 0.00 N ATOM 720 CA LYS A 51 -5.320 -16.195 -17.123 1.00 0.00 C ATOM 721 C LYS A 51 -5.670 -17.675 -16.999 1.00 0.00 C ATOM 722 O LYS A 51 -5.412 -18.458 -17.910 1.00 0.00 O ATOM 723 CB LYS A 51 -4.025 -15.907 -16.362 1.00 0.00 C ATOM 724 CG LYS A 51 -3.514 -14.514 -16.736 1.00 0.00 C ATOM 725 CD LYS A 51 -2.291 -14.170 -15.883 1.00 0.00 C ATOM 726 CE LYS A 51 -1.125 -15.076 -16.277 1.00 0.00 C ATOM 727 NZ LYS A 51 0.086 -14.696 -15.494 1.00 0.00 N ATOM 0 H LYS A 51 -6.143 -14.799 -15.790 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.183 -15.957 -18.178 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.201 -15.965 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.274 -16.659 -16.603 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.253 -14.483 -17.794 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.299 -13.774 -16.580 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.017 -13.124 -16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.524 -14.298 -14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.381 -16.119 -16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.924 -14.985 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.845 -15.384 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.403 -13.748 -15.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.144 -14.690 -14.480 1.00 0.00 H new ATOM 741 N ALA A 52 -6.266 -18.051 -15.871 1.00 0.00 N ATOM 742 CA ALA A 52 -6.649 -19.442 -15.645 1.00 0.00 C ATOM 743 C ALA A 52 -7.671 -19.896 -16.680 1.00 0.00 C ATOM 744 O ALA A 52 -7.615 -21.026 -17.167 1.00 0.00 O ATOM 745 CB ALA A 52 -7.239 -19.597 -14.241 1.00 0.00 C ATOM 0 H ALA A 52 -6.493 -17.418 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.758 -20.063 -15.738 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.523 -20.637 -14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.496 -19.303 -13.500 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.119 -18.961 -14.144 1.00 0.00 H new ATOM 751 N ALA A 53 -8.589 -19.004 -17.025 1.00 0.00 N ATOM 752 CA ALA A 53 -9.609 -19.307 -18.020 1.00 0.00 C ATOM 753 C ALA A 53 -8.961 -19.558 -19.377 1.00 0.00 C ATOM 754 O ALA A 53 -9.391 -20.425 -20.138 1.00 0.00 O ATOM 755 CB ALA A 53 -10.598 -18.144 -18.129 1.00 0.00 C ATOM 0 H ALA A 53 -8.649 -18.065 -16.631 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.144 -20.204 -17.709 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.357 -18.380 -18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.077 -17.982 -17.163 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.066 -17.240 -18.426 1.00 0.00 H new ATOM 761 N GLN A 54 -7.919 -18.786 -19.665 1.00 0.00 N ATOM 762 CA GLN A 54 -7.200 -18.915 -20.925 1.00 0.00 C ATOM 763 C GLN A 54 -6.309 -20.155 -20.910 1.00 0.00 C ATOM 764 O GLN A 54 -5.957 -20.694 -21.959 1.00 0.00 O ATOM 765 CB GLN A 54 -6.330 -17.678 -21.159 1.00 0.00 C ATOM 766 CG GLN A 54 -7.209 -16.425 -21.193 1.00 0.00 C ATOM 767 CD GLN A 54 -8.294 -16.570 -22.253 1.00 0.00 C ATOM 768 OE1 GLN A 54 -8.002 -16.875 -23.408 1.00 0.00 O ATOM 769 NE2 GLN A 54 -9.540 -16.360 -21.923 1.00 0.00 N ATOM 0 H GLN A 54 -7.554 -18.065 -19.043 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.932 -19.009 -21.727 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.586 -17.590 -20.367 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.786 -17.777 -22.098 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.665 -16.265 -20.216 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.597 -15.549 -21.406 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.778 -16.107 -20.964 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.275 -16.449 -22.624 1.00 0.00 H new ATOM 778 N LEU A 55 -5.933 -20.591 -19.711 1.00 0.00 N ATOM 779 CA LEU A 55 -5.064 -21.752 -19.565 1.00 0.00 C ATOM 780 C LEU A 55 -5.772 -23.054 -19.924 1.00 0.00 C ATOM 781 O LEU A 55 -6.928 -23.275 -19.562 1.00 0.00 O ATOM 782 CB LEU A 55 -4.550 -21.840 -18.127 1.00 0.00 C ATOM 783 CG LEU A 55 -3.527 -20.732 -17.883 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.209 -20.650 -16.388 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.248 -21.048 -18.661 1.00 0.00 C ATOM 0 H LEU A 55 -6.215 -20.159 -18.831 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.233 -21.620 -20.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.380 -21.744 -17.426 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.095 -22.815 -17.951 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.933 -19.778 -18.218 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.479 -19.859 -16.214 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.121 -20.430 -15.834 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.800 -21.602 -16.050 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.514 -20.260 -18.490 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.842 -22.001 -18.322 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.475 -21.108 -19.725 1.00 0.00 H new ATOM 797 N LYS A 56 -5.041 -23.913 -20.626 1.00 0.00 N ATOM 798 CA LYS A 56 -5.558 -25.214 -21.033 1.00 0.00 C ATOM 799 C LYS A 56 -5.191 -26.258 -19.983 1.00 0.00 C ATOM 800 O LYS A 56 -4.411 -25.983 -19.074 1.00 0.00 O ATOM 801 CB LYS A 56 -4.949 -25.633 -22.375 1.00 0.00 C ATOM 802 CG LYS A 56 -5.169 -24.543 -23.429 1.00 0.00 C ATOM 803 CD LYS A 56 -6.656 -24.460 -23.776 1.00 0.00 C ATOM 804 CE LYS A 56 -7.109 -25.810 -24.335 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.478 -25.685 -24.913 1.00 0.00 N ATOM 0 H LYS A 56 -4.084 -23.730 -20.926 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.641 -25.143 -21.133 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.882 -25.820 -22.254 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.400 -26.567 -22.710 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.819 -23.582 -23.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.588 -24.765 -24.324 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.237 -24.205 -22.889 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.829 -23.671 -24.508 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.411 -26.149 -25.100 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.105 -26.561 -23.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.780 -26.605 -25.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.141 -25.380 -24.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.468 -24.982 -25.679 1.00 0.00 H new ATOM 819 N ASP A 57 -5.741 -27.460 -20.121 1.00 0.00 N ATOM 820 CA ASP A 57 -5.439 -28.534 -19.181 1.00 0.00 C ATOM 821 C ASP A 57 -3.941 -28.831 -19.187 1.00 0.00 C ATOM 822 O ASP A 57 -3.273 -28.669 -20.209 1.00 0.00 O ATOM 823 CB ASP A 57 -6.215 -29.797 -19.564 1.00 0.00 C ATOM 824 CG ASP A 57 -6.076 -30.848 -18.468 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.771 -31.847 -18.541 1.00 0.00 O ATOM 826 OD2 ASP A 57 -5.277 -30.636 -17.571 1.00 0.00 O ATOM 0 H ASP A 57 -6.391 -27.714 -20.865 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.736 -28.219 -18.181 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.267 -29.555 -19.716 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.839 -30.192 -20.508 1.00 0.00 H new ATOM 831 N GLY A 58 -3.414 -29.266 -18.046 1.00 0.00 N ATOM 832 CA GLY A 58 -1.992 -29.577 -17.946 1.00 0.00 C ATOM 833 C GLY A 58 -1.169 -28.330 -17.634 1.00 0.00 C ATOM 834 O GLY A 58 0.059 -28.354 -17.703 1.00 0.00 O ATOM 0 H GLY A 58 -3.944 -29.410 -17.186 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.835 -30.323 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.648 -30.017 -18.882 1.00 0.00 H new ATOM 838 N GLU A 59 -1.851 -27.242 -17.286 1.00 0.00 N ATOM 839 CA GLU A 59 -1.162 -25.996 -16.960 1.00 0.00 C ATOM 840 C GLU A 59 -1.675 -25.421 -15.643 1.00 0.00 C ATOM 841 O GLU A 59 -2.829 -25.629 -15.272 1.00 0.00 O ATOM 842 CB GLU A 59 -1.360 -24.975 -18.078 1.00 0.00 C ATOM 843 CG GLU A 59 -0.610 -25.440 -19.326 1.00 0.00 C ATOM 844 CD GLU A 59 -0.913 -24.509 -20.495 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.248 -24.630 -21.511 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.807 -23.691 -20.357 1.00 0.00 O ATOM 0 H GLU A 59 -2.868 -27.197 -17.223 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.099 -26.214 -16.855 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.421 -24.862 -18.299 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.994 -23.998 -17.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.462 -25.455 -19.131 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.903 -26.459 -19.577 1.00 0.00 H new ATOM 853 N TRP A 60 -0.811 -24.687 -14.946 1.00 0.00 N ATOM 854 CA TRP A 60 -1.193 -24.079 -13.679 1.00 0.00 C ATOM 855 C TRP A 60 -0.655 -22.656 -13.593 1.00 0.00 C ATOM 856 O TRP A 60 0.404 -22.348 -14.138 1.00 0.00 O ATOM 857 CB TRP A 60 -0.646 -24.897 -12.507 1.00 0.00 C ATOM 858 CG TRP A 60 -1.034 -26.332 -12.666 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.161 -27.359 -12.763 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.366 -26.915 -12.762 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.872 -28.539 -12.903 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.234 -28.316 -12.910 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.662 -26.372 -12.736 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.349 -29.148 -13.025 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.786 -27.206 -12.852 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.629 -28.591 -12.998 1.00 0.00 C ATOM 0 H TRP A 60 0.149 -24.501 -15.236 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.282 -24.059 -13.626 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.439 -24.807 -12.464 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.036 -24.507 -11.567 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.915 -27.273 -12.736 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.442 -29.460 -12.990 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.795 -25.306 -12.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.222 -30.215 -13.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.777 -26.778 -12.829 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.497 -29.227 -13.090 1.00 0.00 H new ATOM 877 N LEU A 61 -1.385 -21.796 -12.894 1.00 0.00 N ATOM 878 CA LEU A 61 -0.968 -20.411 -12.729 1.00 0.00 C ATOM 879 C LEU A 61 -0.337 -20.236 -11.353 1.00 0.00 C ATOM 880 O LEU A 61 -0.846 -20.761 -10.361 1.00 0.00 O ATOM 881 CB LEU A 61 -2.165 -19.474 -12.876 1.00 0.00 C ATOM 882 CG LEU A 61 -1.685 -18.031 -12.740 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.666 -17.740 -13.842 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.877 -17.083 -12.881 1.00 0.00 C ATOM 0 H LEU A 61 -2.264 -22.032 -12.435 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.238 -20.163 -13.500 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.643 -19.622 -13.844 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.913 -19.696 -12.114 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.223 -17.885 -11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.317 -16.711 -13.753 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.180 -18.420 -13.744 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.134 -17.881 -14.816 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.536 -16.052 -12.784 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.339 -17.222 -13.859 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.607 -17.298 -12.101 1.00 0.00 H new ATOM 896 N ASN A 62 0.773 -19.509 -11.288 1.00 0.00 N ATOM 897 CA ASN A 62 1.451 -19.298 -10.014 1.00 0.00 C ATOM 898 C ASN A 62 1.233 -17.871 -9.518 1.00 0.00 C ATOM 899 O ASN A 62 1.440 -16.909 -10.256 1.00 0.00 O ATOM 900 CB ASN A 62 2.948 -19.575 -10.172 1.00 0.00 C ATOM 901 CG ASN A 62 3.618 -19.711 -8.803 1.00 0.00 C ATOM 902 OD1 ASN A 62 2.887 -19.849 -7.728 1.00 0.00 O flip ATOM 903 ND2 ASN A 62 4.845 -19.686 -8.713 1.00 0.00 N flip ATOM 0 H ASN A 62 1.217 -19.062 -12.090 1.00 0.00 H new ATOM 0 HA ASN A 62 1.033 -19.985 -9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.095 -20.489 -10.747 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.416 -18.766 -10.733 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.416 -19.578 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.291 -19.773 -7.800 1.00 0.00 H new ATOM 910 N VAL A 63 0.815 -17.744 -8.263 1.00 0.00 N ATOM 911 CA VAL A 63 0.570 -16.430 -7.674 1.00 0.00 C ATOM 912 C VAL A 63 1.546 -16.174 -6.530 1.00 0.00 C ATOM 913 O VAL A 63 1.705 -17.011 -5.641 1.00 0.00 O ATOM 914 CB VAL A 63 -0.863 -16.352 -7.147 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.101 -14.982 -6.509 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.845 -16.553 -8.302 1.00 0.00 C ATOM 0 H VAL A 63 0.639 -18.529 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 63 0.714 -15.672 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.016 -17.131 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.123 -14.928 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.403 -14.839 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.946 -14.202 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.866 -16.497 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.691 -15.775 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.678 -17.530 -8.755 1.00 0.00 H new ATOM 926 N SER A 64 2.205 -15.019 -6.559 1.00 0.00 N ATOM 927 CA SER A 64 3.170 -14.669 -5.522 1.00 0.00 C ATOM 928 C SER A 64 3.249 -13.152 -5.373 1.00 0.00 C ATOM 929 O SER A 64 2.667 -12.413 -6.168 1.00 0.00 O ATOM 930 CB SER A 64 4.549 -15.220 -5.884 1.00 0.00 C ATOM 931 OG SER A 64 5.035 -14.550 -7.041 1.00 0.00 O ATOM 0 H SER A 64 2.089 -14.313 -7.286 1.00 0.00 H new ATOM 0 HA SER A 64 2.845 -15.106 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.239 -15.080 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.487 -16.292 -6.070 1.00 0.00 H new ATOM 0 HG SER A 64 5.920 -14.900 -7.274 1.00 0.00 H new ATOM 937 N HIS A 65 3.962 -12.688 -4.350 1.00 0.00 N ATOM 938 CA HIS A 65 4.093 -11.252 -4.118 1.00 0.00 C ATOM 939 C HIS A 65 5.452 -10.933 -3.507 1.00 0.00 C ATOM 940 O HIS A 65 6.130 -11.818 -2.984 1.00 0.00 O ATOM 941 CB HIS A 65 2.992 -10.777 -3.171 1.00 0.00 C ATOM 942 CG HIS A 65 3.254 -11.317 -1.792 1.00 0.00 C ATOM 943 ND1 HIS A 65 2.982 -12.633 -1.449 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.761 -10.732 -0.659 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.326 -12.795 -0.159 1.00 0.00 C ATOM 946 NE2 HIS A 65 3.806 -11.666 0.371 1.00 0.00 N ATOM 0 H HIS A 65 4.452 -13.276 -3.676 1.00 0.00 H new ATOM 0 HA HIS A 65 4.002 -10.738 -5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.962 -9.688 -3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.019 -11.115 -3.528 1.00 0.00 H new ATOM 0 HD1 HIS A 65 2.592 -13.348 -2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.077 -9.702 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.226 -13.724 0.383 1.00 0.00 H new ATOM 954 N GLU A 66 5.847 -9.664 -3.571 1.00 0.00 N ATOM 955 CA GLU A 66 7.126 -9.244 -3.017 1.00 0.00 C ATOM 956 C GLU A 66 6.916 -8.488 -1.708 1.00 0.00 C ATOM 957 O GLU A 66 6.096 -7.573 -1.635 1.00 0.00 O ATOM 958 CB GLU A 66 7.856 -8.344 -4.016 1.00 0.00 C ATOM 959 CG GLU A 66 9.182 -7.876 -3.411 1.00 0.00 C ATOM 960 CD GLU A 66 10.088 -9.075 -3.150 1.00 0.00 C ATOM 961 OE1 GLU A 66 9.848 -10.114 -3.744 1.00 0.00 O ATOM 962 OE2 GLU A 66 11.008 -8.937 -2.362 1.00 0.00 O ATOM 0 H GLU A 66 5.302 -8.915 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 66 7.728 -10.131 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.039 -8.887 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.235 -7.484 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.674 -7.178 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.997 -7.340 -2.480 1.00 0.00 H new