USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0274 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.321 USER MOD Single : A 3 SER OG : rot -20:sc= 0.654 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0455 X(o=-0.045,f=0.084) USER MOD Single : A 19 THR OG1 : rot -130:sc= -0.92 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 124:sc= 0.0953 USER MOD Single : A 27 GLN : amide:sc= -5.04! K(o=-5!,f=-2.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0.631 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.68! K(o=-3.7!,f=-1.8) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 6:sc= -1.43! USER MOD Single : A 58 LYS NZ :NH3+ -134:sc= -0.0064 (180deg=-0.867) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.972 -27.617 -11.401 1.00 0.00 N ATOM 2 CA GLY A 1 7.813 -26.685 -10.673 1.00 0.00 C ATOM 3 C GLY A 1 7.064 -25.436 -10.251 1.00 0.00 C ATOM 4 O GLY A 1 5.856 -25.477 -10.017 1.00 0.00 O ATOM 0 H1 GLY A 1 7.094 -28.573 -11.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.976 -27.330 -11.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.242 -27.617 -12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.217 -27.179 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.662 -26.403 -11.296 1.00 0.00 H new ATOM 8 N SER A 2 7.783 -24.322 -10.152 1.00 0.00 N ATOM 9 CA SER A 2 7.180 -23.057 -9.750 1.00 0.00 C ATOM 10 C SER A 2 7.943 -21.877 -10.345 1.00 0.00 C ATOM 11 O SER A 2 9.173 -21.840 -10.311 1.00 0.00 O ATOM 12 CB SER A 2 7.151 -22.943 -8.225 1.00 0.00 C ATOM 13 OG SER A 2 6.016 -23.598 -7.686 1.00 0.00 O ATOM 0 H SER A 2 8.783 -24.270 -10.345 1.00 0.00 H new ATOM 0 HA SER A 2 6.158 -23.034 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.059 -23.379 -7.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.140 -21.892 -7.936 1.00 0.00 H new ATOM 0 HG SER A 2 5.712 -24.291 -8.309 1.00 0.00 H new ATOM 19 N SER A 3 7.205 -20.916 -10.891 1.00 0.00 N ATOM 20 CA SER A 3 7.811 -19.737 -11.497 1.00 0.00 C ATOM 21 C SER A 3 6.821 -18.577 -11.538 1.00 0.00 C ATOM 22 O SER A 3 5.761 -18.672 -12.156 1.00 0.00 O ATOM 23 CB SER A 3 8.297 -20.058 -12.912 1.00 0.00 C ATOM 24 OG SER A 3 9.210 -21.141 -12.904 1.00 0.00 O ATOM 0 H SER A 3 6.186 -20.931 -10.926 1.00 0.00 H new ATOM 0 HA SER A 3 8.664 -19.442 -10.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.445 -20.302 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.775 -19.179 -13.344 1.00 0.00 H new ATOM 0 HG SER A 3 9.584 -21.247 -12.004 1.00 0.00 H new ATOM 30 N GLY A 4 7.175 -17.481 -10.874 1.00 0.00 N ATOM 31 CA GLY A 4 6.308 -16.318 -10.846 1.00 0.00 C ATOM 32 C GLY A 4 7.023 -15.072 -10.361 1.00 0.00 C ATOM 33 O GLY A 4 7.488 -14.263 -11.164 1.00 0.00 O ATOM 0 H GLY A 4 8.047 -17.378 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.912 -16.140 -11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.456 -16.520 -10.197 1.00 0.00 H new ATOM 37 N SER A 5 7.111 -14.917 -9.044 1.00 0.00 N ATOM 38 CA SER A 5 7.771 -13.758 -8.454 1.00 0.00 C ATOM 39 C SER A 5 9.261 -13.756 -8.781 1.00 0.00 C ATOM 40 O SER A 5 9.914 -14.799 -8.760 1.00 0.00 O ATOM 41 CB SER A 5 7.570 -13.749 -6.937 1.00 0.00 C ATOM 42 OG SER A 5 8.455 -14.653 -6.300 1.00 0.00 O ATOM 0 H SER A 5 6.734 -15.579 -8.366 1.00 0.00 H new ATOM 0 HA SER A 5 7.323 -12.860 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.733 -12.743 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.540 -14.017 -6.702 1.00 0.00 H new ATOM 0 HG SER A 5 8.308 -14.627 -5.331 1.00 0.00 H new ATOM 48 N SER A 6 9.792 -12.575 -9.082 1.00 0.00 N ATOM 49 CA SER A 6 11.204 -12.436 -9.418 1.00 0.00 C ATOM 50 C SER A 6 12.070 -12.506 -8.164 1.00 0.00 C ATOM 51 O SER A 6 11.830 -11.794 -7.189 1.00 0.00 O ATOM 52 CB SER A 6 11.449 -11.113 -10.147 1.00 0.00 C ATOM 53 OG SER A 6 10.934 -11.156 -11.467 1.00 0.00 O ATOM 0 H SER A 6 9.266 -11.701 -9.100 1.00 0.00 H new ATOM 0 HA SER A 6 11.479 -13.261 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.979 -10.298 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.518 -10.903 -10.177 1.00 0.00 H new ATOM 0 HG SER A 6 11.101 -10.299 -11.911 1.00 0.00 H new ATOM 59 N GLY A 7 13.080 -13.371 -8.197 1.00 0.00 N ATOM 60 CA GLY A 7 13.967 -13.519 -7.058 1.00 0.00 C ATOM 61 C GLY A 7 15.259 -12.745 -7.224 1.00 0.00 C ATOM 62 O GLY A 7 16.278 -13.302 -7.633 1.00 0.00 O ATOM 0 H GLY A 7 13.299 -13.971 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.456 -13.178 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.196 -14.575 -6.915 1.00 0.00 H new ATOM 66 N THR A 8 15.219 -11.454 -6.909 1.00 0.00 N ATOM 67 CA THR A 8 16.394 -10.601 -7.029 1.00 0.00 C ATOM 68 C THR A 8 16.515 -9.660 -5.835 1.00 0.00 C ATOM 69 O THR A 8 15.511 -9.256 -5.248 1.00 0.00 O ATOM 70 CB THR A 8 16.354 -9.767 -8.323 1.00 0.00 C ATOM 71 OG1 THR A 8 17.547 -8.984 -8.439 1.00 0.00 O ATOM 72 CG2 THR A 8 15.138 -8.853 -8.340 1.00 0.00 C ATOM 0 H THR A 8 14.384 -10.976 -6.569 1.00 0.00 H new ATOM 0 HA THR A 8 17.261 -11.261 -7.058 1.00 0.00 H new ATOM 0 HB THR A 8 16.286 -10.452 -9.168 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.514 -8.458 -9.265 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.131 -8.274 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.230 -9.454 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.180 -8.176 -7.487 1.00 0.00 H new ATOM 80 N TYR A 9 17.748 -9.315 -5.483 1.00 0.00 N ATOM 81 CA TYR A 9 17.999 -8.422 -4.357 1.00 0.00 C ATOM 82 C TYR A 9 17.551 -7.000 -4.680 1.00 0.00 C ATOM 83 O TYR A 9 18.249 -6.259 -5.374 1.00 0.00 O ATOM 84 CB TYR A 9 19.485 -8.431 -3.994 1.00 0.00 C ATOM 85 CG TYR A 9 19.774 -7.885 -2.614 1.00 0.00 C ATOM 86 CD1 TYR A 9 19.528 -6.552 -2.307 1.00 0.00 C ATOM 87 CD2 TYR A 9 20.293 -8.702 -1.617 1.00 0.00 C ATOM 88 CE1 TYR A 9 19.792 -6.049 -1.048 1.00 0.00 C ATOM 89 CE2 TYR A 9 20.558 -8.208 -0.355 1.00 0.00 C ATOM 90 CZ TYR A 9 20.306 -6.881 -0.075 1.00 0.00 C ATOM 91 OH TYR A 9 20.569 -6.384 1.181 1.00 0.00 O ATOM 0 H TYR A 9 18.589 -9.639 -5.960 1.00 0.00 H new ATOM 0 HA TYR A 9 17.422 -8.781 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 9 19.860 -9.453 -4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 9 20.034 -7.844 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 9 19.124 -5.898 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 9 20.493 -9.741 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 9 19.597 -5.010 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 9 20.960 -8.857 0.409 1.00 0.00 H new ATOM 0 HH TYR A 9 20.926 -7.099 1.748 1.00 0.00 H new ATOM 101 N ASP A 10 16.383 -6.624 -4.170 1.00 0.00 N ATOM 102 CA ASP A 10 15.841 -5.290 -4.401 1.00 0.00 C ATOM 103 C ASP A 10 15.470 -4.619 -3.083 1.00 0.00 C ATOM 104 O ASP A 10 14.484 -3.887 -3.005 1.00 0.00 O ATOM 105 CB ASP A 10 14.615 -5.366 -5.313 1.00 0.00 C ATOM 106 CG ASP A 10 14.980 -5.281 -6.782 1.00 0.00 C ATOM 107 OD1 ASP A 10 15.953 -4.569 -7.112 1.00 0.00 O ATOM 108 OD2 ASP A 10 14.294 -5.926 -7.601 1.00 0.00 O ATOM 0 H ASP A 10 15.793 -7.225 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 10 16.610 -4.691 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.085 -6.300 -5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.930 -4.555 -5.064 1.00 0.00 H new ATOM 113 N GLU A 11 16.265 -4.876 -2.049 1.00 0.00 N ATOM 114 CA GLU A 11 16.017 -4.297 -0.734 1.00 0.00 C ATOM 115 C GLU A 11 17.248 -3.551 -0.227 1.00 0.00 C ATOM 116 O GLU A 11 17.640 -3.691 0.932 1.00 0.00 O ATOM 117 CB GLU A 11 15.624 -5.390 0.263 1.00 0.00 C ATOM 118 CG GLU A 11 16.705 -6.437 0.476 1.00 0.00 C ATOM 119 CD GLU A 11 16.619 -7.575 -0.522 1.00 0.00 C ATOM 120 OE1 GLU A 11 17.077 -7.396 -1.669 1.00 0.00 O ATOM 121 OE2 GLU A 11 16.092 -8.646 -0.155 1.00 0.00 O ATOM 0 H GLU A 11 17.085 -5.481 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 11 15.195 -3.587 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.384 -4.928 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.717 -5.882 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.684 -5.964 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.623 -6.838 1.486 1.00 0.00 H new ATOM 128 N TYR A 12 17.854 -2.758 -1.104 1.00 0.00 N ATOM 129 CA TYR A 12 19.042 -1.991 -0.748 1.00 0.00 C ATOM 130 C TYR A 12 18.700 -0.517 -0.550 1.00 0.00 C ATOM 131 O TYR A 12 18.978 0.059 0.501 1.00 0.00 O ATOM 132 CB TYR A 12 20.112 -2.137 -1.831 1.00 0.00 C ATOM 133 CG TYR A 12 21.062 -0.962 -1.905 1.00 0.00 C ATOM 134 CD1 TYR A 12 21.980 -0.721 -0.891 1.00 0.00 C ATOM 135 CD2 TYR A 12 21.041 -0.094 -2.989 1.00 0.00 C ATOM 136 CE1 TYR A 12 22.849 0.351 -0.954 1.00 0.00 C ATOM 137 CE2 TYR A 12 21.907 0.979 -3.062 1.00 0.00 C ATOM 138 CZ TYR A 12 22.810 1.198 -2.042 1.00 0.00 C ATOM 139 OH TYR A 12 23.673 2.267 -2.109 1.00 0.00 O ATOM 0 H TYR A 12 17.542 -2.630 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 12 19.430 -2.385 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 12 20.685 -3.045 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 12 19.624 -2.261 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 12 22.015 -1.383 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.335 -0.261 -3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 12 23.555 0.525 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 12 21.878 1.643 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 12 23.516 2.763 -2.940 1.00 0.00 H new ATOM 149 N GLU A 13 18.095 0.085 -1.568 1.00 0.00 N ATOM 150 CA GLU A 13 17.715 1.492 -1.507 1.00 0.00 C ATOM 151 C GLU A 13 16.227 1.667 -1.796 1.00 0.00 C ATOM 152 O GLU A 13 15.838 2.491 -2.622 1.00 0.00 O ATOM 153 CB GLU A 13 18.539 2.310 -2.503 1.00 0.00 C ATOM 154 CG GLU A 13 18.400 3.812 -2.320 1.00 0.00 C ATOM 155 CD GLU A 13 18.724 4.260 -0.909 1.00 0.00 C ATOM 156 OE1 GLU A 13 19.891 4.106 -0.491 1.00 0.00 O ATOM 157 OE2 GLU A 13 17.812 4.765 -0.221 1.00 0.00 O ATOM 0 H GLU A 13 17.857 -0.379 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 13 17.916 1.852 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.589 2.036 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.235 2.046 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.062 4.322 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.382 4.112 -2.568 1.00 0.00 H new ATOM 164 N ASN A 14 15.401 0.883 -1.110 1.00 0.00 N ATOM 165 CA ASN A 14 13.956 0.950 -1.294 1.00 0.00 C ATOM 166 C ASN A 14 13.235 0.935 0.050 1.00 0.00 C ATOM 167 O ASN A 14 13.255 -0.067 0.765 1.00 0.00 O ATOM 168 CB ASN A 14 13.476 -0.219 -2.156 1.00 0.00 C ATOM 169 CG ASN A 14 13.906 -0.085 -3.604 1.00 0.00 C ATOM 170 OD1 ASN A 14 14.605 -0.947 -4.138 1.00 0.00 O ATOM 171 ND2 ASN A 14 13.490 0.999 -4.247 1.00 0.00 N ATOM 0 H ASN A 14 15.708 0.195 -0.422 1.00 0.00 H new ATOM 0 HA ASN A 14 13.723 1.886 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.867 -1.151 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.389 -0.281 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.748 1.143 -5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.912 1.688 -3.765 1.00 0.00 H new ATOM 178 N ASP A 15 12.599 2.051 0.387 1.00 0.00 N ATOM 179 CA ASP A 15 11.871 2.167 1.645 1.00 0.00 C ATOM 180 C ASP A 15 10.366 2.072 1.412 1.00 0.00 C ATOM 181 O ASP A 15 9.690 3.086 1.232 1.00 0.00 O ATOM 182 CB ASP A 15 12.210 3.488 2.337 1.00 0.00 C ATOM 183 CG ASP A 15 12.453 4.613 1.350 1.00 0.00 C ATOM 184 OD1 ASP A 15 11.764 4.646 0.309 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.331 5.459 1.618 1.00 0.00 O ATOM 0 H ASP A 15 12.573 2.889 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 15 12.174 1.341 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.394 3.765 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.097 3.353 2.956 1.00 0.00 H new ATOM 190 N LEU A 16 9.848 0.849 1.415 1.00 0.00 N ATOM 191 CA LEU A 16 8.422 0.622 1.203 1.00 0.00 C ATOM 192 C LEU A 16 7.596 1.276 2.306 1.00 0.00 C ATOM 193 O LEU A 16 6.561 1.885 2.042 1.00 0.00 O ATOM 194 CB LEU A 16 8.127 -0.878 1.150 1.00 0.00 C ATOM 195 CG LEU A 16 9.266 -1.769 0.653 1.00 0.00 C ATOM 196 CD1 LEU A 16 10.068 -1.058 -0.426 1.00 0.00 C ATOM 197 CD2 LEU A 16 10.168 -2.176 1.810 1.00 0.00 C ATOM 0 H LEU A 16 10.393 -0.001 1.562 1.00 0.00 H new ATOM 0 HA LEU A 16 8.145 1.075 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.844 -1.208 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.262 -1.035 0.506 1.00 0.00 H new ATOM 0 HG LEU A 16 8.834 -2.671 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.874 -1.707 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.415 -0.817 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.490 -0.139 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.973 -2.810 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.592 -1.284 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.586 -2.726 2.549 1.00 0.00 H new ATOM 209 N GLY A 17 8.064 1.147 3.544 1.00 0.00 N ATOM 210 CA GLY A 17 7.357 1.732 4.668 1.00 0.00 C ATOM 211 C GLY A 17 6.091 0.974 5.016 1.00 0.00 C ATOM 212 O GLY A 17 6.105 -0.252 5.124 1.00 0.00 O ATOM 0 H GLY A 17 8.920 0.648 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.015 1.752 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.105 2.767 4.436 1.00 0.00 H new ATOM 216 N ILE A 18 4.996 1.705 5.194 1.00 0.00 N ATOM 217 CA ILE A 18 3.717 1.093 5.532 1.00 0.00 C ATOM 218 C ILE A 18 3.090 0.422 4.315 1.00 0.00 C ATOM 219 O ILE A 18 3.239 0.892 3.186 1.00 0.00 O ATOM 220 CB ILE A 18 2.729 2.131 6.098 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.370 2.898 7.257 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.447 1.449 6.552 1.00 0.00 C ATOM 223 CD1 ILE A 18 4.145 4.120 6.817 1.00 0.00 C ATOM 0 H ILE A 18 4.969 2.721 5.110 1.00 0.00 H new ATOM 0 HA ILE A 18 3.918 0.341 6.295 1.00 0.00 H new ATOM 0 HB ILE A 18 2.480 2.842 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.591 3.204 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.039 2.229 7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.759 2.195 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.984 0.943 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.678 0.719 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.572 4.614 7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.947 3.819 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.476 4.809 6.301 1.00 0.00 H new ATOM 235 N THR A 19 2.385 -0.680 4.551 1.00 0.00 N ATOM 236 CA THR A 19 1.734 -1.417 3.475 1.00 0.00 C ATOM 237 C THR A 19 0.289 -1.748 3.831 1.00 0.00 C ATOM 238 O THR A 19 -0.082 -1.766 5.004 1.00 0.00 O ATOM 239 CB THR A 19 2.484 -2.723 3.154 1.00 0.00 C ATOM 240 OG1 THR A 19 2.680 -3.483 4.352 1.00 0.00 O ATOM 241 CG2 THR A 19 3.830 -2.430 2.509 1.00 0.00 C ATOM 0 H THR A 19 2.250 -1.082 5.479 1.00 0.00 H new ATOM 0 HA THR A 19 1.750 -0.773 2.596 1.00 0.00 H new ATOM 0 HB THR A 19 1.880 -3.299 2.453 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.620 -3.751 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.341 -3.368 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.677 -1.877 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.438 -1.835 3.190 1.00 0.00 H new ATOM 249 N ALA A 20 -0.521 -2.011 2.812 1.00 0.00 N ATOM 250 CA ALA A 20 -1.925 -2.344 3.018 1.00 0.00 C ATOM 251 C ALA A 20 -2.438 -3.267 1.917 1.00 0.00 C ATOM 252 O ALA A 20 -1.859 -3.338 0.833 1.00 0.00 O ATOM 253 CB ALA A 20 -2.765 -1.077 3.081 1.00 0.00 C ATOM 0 H ALA A 20 -0.229 -2.000 1.835 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.012 -2.871 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.811 -1.341 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.423 -0.454 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.664 -0.527 2.146 1.00 0.00 H new ATOM 259 N VAL A 21 -3.527 -3.973 2.203 1.00 0.00 N ATOM 260 CA VAL A 21 -4.118 -4.891 1.237 1.00 0.00 C ATOM 261 C VAL A 21 -5.562 -4.511 0.929 1.00 0.00 C ATOM 262 O VAL A 21 -6.393 -4.406 1.832 1.00 0.00 O ATOM 263 CB VAL A 21 -4.079 -6.344 1.747 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.980 -6.509 2.961 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.480 -7.308 0.640 1.00 0.00 C ATOM 0 H VAL A 21 -4.018 -3.927 3.096 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.524 -4.817 0.326 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.058 -6.577 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.939 -7.542 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.642 -5.846 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.005 -6.257 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.447 -8.330 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.491 -7.077 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.789 -7.208 -0.197 1.00 0.00 H new ATOM 275 N ALA A 22 -5.855 -4.307 -0.351 1.00 0.00 N ATOM 276 CA ALA A 22 -7.200 -3.941 -0.778 1.00 0.00 C ATOM 277 C ALA A 22 -8.199 -5.045 -0.450 1.00 0.00 C ATOM 278 O ALA A 22 -7.899 -6.231 -0.594 1.00 0.00 O ATOM 279 CB ALA A 22 -7.215 -3.637 -2.269 1.00 0.00 C ATOM 0 H ALA A 22 -5.179 -4.389 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.497 -3.045 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.225 -3.365 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.537 -2.809 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.893 -4.519 -2.823 1.00 0.00 H new ATOM 285 N LEU A 23 -9.388 -4.648 -0.009 1.00 0.00 N ATOM 286 CA LEU A 23 -10.432 -5.605 0.340 1.00 0.00 C ATOM 287 C LEU A 23 -11.452 -5.733 -0.787 1.00 0.00 C ATOM 288 O LEU A 23 -11.974 -6.818 -1.045 1.00 0.00 O ATOM 289 CB LEU A 23 -11.133 -5.176 1.631 1.00 0.00 C ATOM 290 CG LEU A 23 -10.221 -4.859 2.817 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.966 -4.042 3.860 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.677 -6.141 3.429 1.00 0.00 C ATOM 0 H LEU A 23 -9.653 -3.671 0.115 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.963 -6.577 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.737 -4.294 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.820 -5.968 1.928 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.380 -4.267 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.301 -3.826 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.305 -3.106 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.827 -4.607 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.030 -5.896 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.505 -6.759 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.105 -6.688 2.679 1.00 0.00 H new ATOM 304 N TYR A 24 -11.729 -4.619 -1.456 1.00 0.00 N ATOM 305 CA TYR A 24 -12.687 -4.607 -2.556 1.00 0.00 C ATOM 306 C TYR A 24 -12.159 -3.785 -3.728 1.00 0.00 C ATOM 307 O TYR A 24 -11.303 -2.917 -3.556 1.00 0.00 O ATOM 308 CB TYR A 24 -14.028 -4.043 -2.085 1.00 0.00 C ATOM 309 CG TYR A 24 -14.434 -4.514 -0.707 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.925 -3.905 0.434 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.324 -5.568 -0.545 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.292 -4.333 1.696 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.698 -6.001 0.712 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.179 -5.381 1.829 1.00 0.00 C ATOM 315 OH TYR A 24 -15.547 -5.810 3.084 1.00 0.00 O ATOM 0 H TYR A 24 -11.304 -3.713 -1.256 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.831 -5.634 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.975 -2.954 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.802 -4.325 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.231 -3.084 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.731 -6.058 -1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.887 -3.850 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.393 -6.821 0.820 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.178 -6.555 3.003 1.00 0.00 H new ATOM 325 N ASP A 25 -12.678 -4.065 -4.918 1.00 0.00 N ATOM 326 CA ASP A 25 -12.262 -3.351 -6.120 1.00 0.00 C ATOM 327 C ASP A 25 -12.635 -1.874 -6.032 1.00 0.00 C ATOM 328 O ASP A 25 -13.744 -1.527 -5.626 1.00 0.00 O ATOM 329 CB ASP A 25 -12.902 -3.979 -7.359 1.00 0.00 C ATOM 330 CG ASP A 25 -14.402 -3.763 -7.408 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.029 -3.703 -6.329 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.949 -3.652 -8.525 1.00 0.00 O ATOM 0 H ASP A 25 -13.387 -4.781 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.178 -3.429 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.447 -3.554 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.691 -5.048 -7.371 1.00 0.00 H new ATOM 337 N TYR A 26 -11.701 -1.010 -6.413 1.00 0.00 N ATOM 338 CA TYR A 26 -11.930 0.429 -6.373 1.00 0.00 C ATOM 339 C TYR A 26 -11.644 1.064 -7.731 1.00 0.00 C ATOM 340 O TYR A 26 -10.767 0.612 -8.466 1.00 0.00 O ATOM 341 CB TYR A 26 -11.054 1.077 -5.300 1.00 0.00 C ATOM 342 CG TYR A 26 -11.590 2.398 -4.796 1.00 0.00 C ATOM 343 CD1 TYR A 26 -12.523 2.443 -3.767 1.00 0.00 C ATOM 344 CD2 TYR A 26 -11.166 3.600 -5.349 1.00 0.00 C ATOM 345 CE1 TYR A 26 -13.017 3.647 -3.303 1.00 0.00 C ATOM 346 CE2 TYR A 26 -11.653 4.808 -4.890 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.579 4.827 -3.868 1.00 0.00 C ATOM 348 OH TYR A 26 -13.068 6.029 -3.409 1.00 0.00 O ATOM 0 H TYR A 26 -10.778 -1.281 -6.753 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.978 0.597 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.956 0.390 -4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.053 1.231 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.868 1.521 -3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.443 3.589 -6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.742 3.664 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.310 5.733 -5.329 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.323 6.597 -3.121 1.00 0.00 H new ATOM 358 N GLN A 27 -12.392 2.114 -8.055 1.00 0.00 N ATOM 359 CA GLN A 27 -12.219 2.811 -9.324 1.00 0.00 C ATOM 360 C GLN A 27 -12.149 4.320 -9.111 1.00 0.00 C ATOM 361 O GLN A 27 -13.175 4.987 -8.979 1.00 0.00 O ATOM 362 CB GLN A 27 -13.367 2.472 -10.277 1.00 0.00 C ATOM 363 CG GLN A 27 -13.487 0.987 -10.579 1.00 0.00 C ATOM 364 CD GLN A 27 -14.253 0.234 -9.510 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.468 0.381 -9.380 1.00 0.00 O ATOM 366 NE2 GLN A 27 -13.544 -0.580 -8.736 1.00 0.00 N ATOM 0 H GLN A 27 -13.123 2.500 -7.457 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.279 2.480 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.304 2.823 -9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.225 3.014 -11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.986 0.855 -11.539 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.490 0.558 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.538 -0.672 -8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.005 -1.113 -7.999 1.00 0.00 H new ATOM 375 N ALA A 28 -10.931 4.852 -9.077 1.00 0.00 N ATOM 376 CA ALA A 28 -10.727 6.281 -8.882 1.00 0.00 C ATOM 377 C ALA A 28 -11.658 7.096 -9.774 1.00 0.00 C ATOM 378 O ALA A 28 -11.754 6.850 -10.976 1.00 0.00 O ATOM 379 CB ALA A 28 -9.276 6.650 -9.155 1.00 0.00 C ATOM 0 H ALA A 28 -10.071 4.314 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.962 6.517 -7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.139 7.721 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.627 6.102 -8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.022 6.392 -10.183 1.00 0.00 H new ATOM 385 N ALA A 29 -12.343 8.066 -9.177 1.00 0.00 N ATOM 386 CA ALA A 29 -13.265 8.917 -9.917 1.00 0.00 C ATOM 387 C ALA A 29 -12.516 9.827 -10.885 1.00 0.00 C ATOM 388 O ALA A 29 -12.996 10.112 -11.982 1.00 0.00 O ATOM 389 CB ALA A 29 -14.107 9.745 -8.957 1.00 0.00 C ATOM 0 H ALA A 29 -12.276 8.282 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.925 8.274 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.791 10.376 -9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.679 9.081 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.455 10.372 -8.349 1.00 0.00 H new ATOM 395 N GLY A 30 -11.336 10.280 -10.472 1.00 0.00 N ATOM 396 CA GLY A 30 -10.541 11.153 -11.315 1.00 0.00 C ATOM 397 C GLY A 30 -9.076 10.763 -11.335 1.00 0.00 C ATOM 398 O GLY A 30 -8.733 9.602 -11.111 1.00 0.00 O ATOM 0 H GLY A 30 -10.917 10.058 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.934 11.128 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.636 12.180 -10.961 1.00 0.00 H new ATOM 402 N ASP A 31 -8.210 11.733 -11.606 1.00 0.00 N ATOM 403 CA ASP A 31 -6.774 11.485 -11.655 1.00 0.00 C ATOM 404 C ASP A 31 -6.177 11.469 -10.251 1.00 0.00 C ATOM 405 O ASP A 31 -5.349 10.618 -9.928 1.00 0.00 O ATOM 406 CB ASP A 31 -6.080 12.549 -12.506 1.00 0.00 C ATOM 407 CG ASP A 31 -6.052 12.185 -13.978 1.00 0.00 C ATOM 408 OD1 ASP A 31 -7.104 12.306 -14.640 1.00 0.00 O ATOM 409 OD2 ASP A 31 -4.977 11.781 -14.468 1.00 0.00 O ATOM 0 H ASP A 31 -8.478 12.699 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.614 10.507 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.593 13.502 -12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.059 12.687 -12.149 1.00 0.00 H new ATOM 414 N ASP A 32 -6.601 12.417 -9.423 1.00 0.00 N ATOM 415 CA ASP A 32 -6.108 12.513 -8.054 1.00 0.00 C ATOM 416 C ASP A 32 -6.195 11.162 -7.350 1.00 0.00 C ATOM 417 O ASP A 32 -5.233 10.713 -6.728 1.00 0.00 O ATOM 418 CB ASP A 32 -6.905 13.560 -7.274 1.00 0.00 C ATOM 419 CG ASP A 32 -7.222 14.785 -8.109 1.00 0.00 C ATOM 420 OD1 ASP A 32 -6.341 15.223 -8.878 1.00 0.00 O ATOM 421 OD2 ASP A 32 -8.350 15.308 -7.992 1.00 0.00 O ATOM 0 H ASP A 32 -7.285 13.130 -9.676 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.062 12.818 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.835 13.115 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.339 13.861 -6.392 1.00 0.00 H new ATOM 426 N GLU A 33 -7.355 10.521 -7.451 1.00 0.00 N ATOM 427 CA GLU A 33 -7.567 9.222 -6.822 1.00 0.00 C ATOM 428 C GLU A 33 -6.939 8.106 -7.652 1.00 0.00 C ATOM 429 O GLU A 33 -6.728 8.257 -8.856 1.00 0.00 O ATOM 430 CB GLU A 33 -9.063 8.957 -6.640 1.00 0.00 C ATOM 431 CG GLU A 33 -9.722 9.865 -5.615 1.00 0.00 C ATOM 432 CD GLU A 33 -11.236 9.805 -5.670 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.772 8.775 -6.132 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.885 10.786 -5.253 1.00 0.00 O ATOM 0 H GLU A 33 -8.162 10.879 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.086 9.238 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.565 9.082 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.206 7.919 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.387 9.583 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.397 10.892 -5.782 1.00 0.00 H new ATOM 441 N ILE A 34 -6.642 6.988 -6.999 1.00 0.00 N ATOM 442 CA ILE A 34 -6.038 5.847 -7.676 1.00 0.00 C ATOM 443 C ILE A 34 -6.970 4.639 -7.656 1.00 0.00 C ATOM 444 O ILE A 34 -7.789 4.490 -6.749 1.00 0.00 O ATOM 445 CB ILE A 34 -4.695 5.455 -7.032 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.884 5.169 -5.541 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.667 6.558 -7.239 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.650 4.605 -4.873 1.00 0.00 C ATOM 0 H ILE A 34 -6.810 6.848 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.862 6.151 -8.708 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.329 4.548 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.171 6.091 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.708 4.467 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.723 6.267 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.516 6.719 -8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.025 7.480 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.857 4.427 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.374 3.666 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.829 5.315 -4.967 1.00 0.00 H new ATOM 460 N SER A 35 -6.837 3.779 -8.660 1.00 0.00 N ATOM 461 CA SER A 35 -7.668 2.585 -8.759 1.00 0.00 C ATOM 462 C SER A 35 -6.820 1.322 -8.642 1.00 0.00 C ATOM 463 O SER A 35 -5.814 1.169 -9.334 1.00 0.00 O ATOM 464 CB SER A 35 -8.433 2.579 -10.084 1.00 0.00 C ATOM 465 OG SER A 35 -8.887 3.879 -10.417 1.00 0.00 O ATOM 0 H SER A 35 -6.162 3.887 -9.417 1.00 0.00 H new ATOM 0 HA SER A 35 -8.382 2.600 -7.936 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.789 2.201 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.283 1.901 -10.014 1.00 0.00 H new ATOM 0 HG SER A 35 -9.371 3.848 -11.268 1.00 0.00 H new ATOM 471 N PHE A 36 -7.235 0.418 -7.760 1.00 0.00 N ATOM 472 CA PHE A 36 -6.515 -0.832 -7.550 1.00 0.00 C ATOM 473 C PHE A 36 -7.483 -2.006 -7.439 1.00 0.00 C ATOM 474 O PHE A 36 -8.657 -1.827 -7.114 1.00 0.00 O ATOM 475 CB PHE A 36 -5.655 -0.744 -6.288 1.00 0.00 C ATOM 476 CG PHE A 36 -6.235 0.148 -5.228 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.475 -0.128 -4.673 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.541 1.263 -4.786 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.011 0.692 -3.699 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.073 2.087 -3.812 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.309 1.800 -3.267 1.00 0.00 C ATOM 0 H PHE A 36 -8.066 0.528 -7.179 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.868 -0.998 -8.411 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.524 -1.745 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.665 -0.378 -6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.028 -0.994 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.573 1.491 -5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.979 0.467 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.523 2.954 -3.478 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.726 2.441 -2.504 1.00 0.00 H new ATOM 491 N ASP A 37 -6.982 -3.206 -7.711 1.00 0.00 N ATOM 492 CA ASP A 37 -7.802 -4.410 -7.642 1.00 0.00 C ATOM 493 C ASP A 37 -7.941 -4.890 -6.201 1.00 0.00 C ATOM 494 O ASP A 37 -7.162 -4.524 -5.321 1.00 0.00 O ATOM 495 CB ASP A 37 -7.194 -5.517 -8.505 1.00 0.00 C ATOM 496 CG ASP A 37 -5.685 -5.412 -8.602 1.00 0.00 C ATOM 497 OD1 ASP A 37 -5.007 -5.627 -7.575 1.00 0.00 O ATOM 498 OD2 ASP A 37 -5.181 -5.117 -9.705 1.00 0.00 O ATOM 0 H ASP A 37 -6.012 -3.371 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.794 -4.167 -8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.462 -6.488 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.624 -5.471 -9.506 1.00 0.00 H new ATOM 503 N PRO A 38 -8.958 -5.729 -5.951 1.00 0.00 N ATOM 504 CA PRO A 38 -9.224 -6.276 -4.618 1.00 0.00 C ATOM 505 C PRO A 38 -8.161 -7.279 -4.181 1.00 0.00 C ATOM 506 O PRO A 38 -7.770 -8.158 -4.949 1.00 0.00 O ATOM 507 CB PRO A 38 -10.578 -6.971 -4.783 1.00 0.00 C ATOM 508 CG PRO A 38 -10.657 -7.306 -6.232 1.00 0.00 C ATOM 509 CD PRO A 38 -9.926 -6.207 -6.952 1.00 0.00 C ATOM 0 HA PRO A 38 -9.218 -5.502 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.641 -7.867 -4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.397 -6.318 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.201 -8.275 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.694 -7.367 -6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.428 -6.576 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.603 -5.413 -7.267 1.00 0.00 H new ATOM 517 N ASP A 39 -7.698 -7.141 -2.943 1.00 0.00 N ATOM 518 CA ASP A 39 -6.682 -8.036 -2.403 1.00 0.00 C ATOM 519 C ASP A 39 -5.319 -7.751 -3.028 1.00 0.00 C ATOM 520 O ASP A 39 -4.493 -8.652 -3.175 1.00 0.00 O ATOM 521 CB ASP A 39 -7.074 -9.494 -2.647 1.00 0.00 C ATOM 522 CG ASP A 39 -8.530 -9.765 -2.323 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.377 -8.902 -2.636 1.00 0.00 O ATOM 524 OD2 ASP A 39 -8.822 -10.839 -1.758 1.00 0.00 O ATOM 0 H ASP A 39 -8.010 -6.418 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.613 -7.862 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.884 -9.749 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.443 -10.143 -2.040 1.00 0.00 H new ATOM 529 N ASP A 40 -5.093 -6.494 -3.393 1.00 0.00 N ATOM 530 CA ASP A 40 -3.832 -6.090 -4.002 1.00 0.00 C ATOM 531 C ASP A 40 -2.825 -5.668 -2.937 1.00 0.00 C ATOM 532 O ASP A 40 -3.148 -5.615 -1.750 1.00 0.00 O ATOM 533 CB ASP A 40 -4.061 -4.944 -4.989 1.00 0.00 C ATOM 534 CG ASP A 40 -3.016 -4.908 -6.087 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.470 -5.980 -6.423 1.00 0.00 O ATOM 536 OD2 ASP A 40 -2.745 -3.807 -6.611 1.00 0.00 O ATOM 0 H ASP A 40 -5.767 -5.737 -3.278 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.426 -6.946 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.050 -5.045 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.050 -3.997 -4.450 1.00 0.00 H new ATOM 541 N ILE A 41 -1.604 -5.369 -3.369 1.00 0.00 N ATOM 542 CA ILE A 41 -0.551 -4.951 -2.453 1.00 0.00 C ATOM 543 C ILE A 41 -0.107 -3.520 -2.740 1.00 0.00 C ATOM 544 O ILE A 41 0.151 -3.159 -3.889 1.00 0.00 O ATOM 545 CB ILE A 41 0.672 -5.883 -2.539 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.261 -7.328 -2.250 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.752 -5.430 -1.567 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.359 -7.519 -0.884 1.00 0.00 C ATOM 0 H ILE A 41 -1.320 -5.409 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.969 -5.004 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 41 1.076 -5.835 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.448 -7.654 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.138 -7.970 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.610 -6.098 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.061 -4.414 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.359 -5.452 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.625 -8.567 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.356 -7.224 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.255 -6.903 -0.802 1.00 0.00 H new ATOM 560 N ILE A 42 -0.020 -2.712 -1.690 1.00 0.00 N ATOM 561 CA ILE A 42 0.396 -1.321 -1.830 1.00 0.00 C ATOM 562 C ILE A 42 1.572 -1.004 -0.912 1.00 0.00 C ATOM 563 O ILE A 42 1.650 -1.502 0.212 1.00 0.00 O ATOM 564 CB ILE A 42 -0.761 -0.354 -1.516 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.856 -0.473 -2.578 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.248 1.076 -1.434 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.881 -1.542 -2.271 1.00 0.00 C ATOM 0 H ILE A 42 -0.232 -2.995 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 42 0.701 -1.185 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.188 -0.622 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.362 0.487 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.395 -0.689 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.077 1.748 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.500 1.149 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.201 1.357 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.626 -1.570 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.387 -2.511 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.370 -1.316 -1.323 1.00 0.00 H new ATOM 579 N THR A 43 2.486 -0.170 -1.398 1.00 0.00 N ATOM 580 CA THR A 43 3.659 0.214 -0.622 1.00 0.00 C ATOM 581 C THR A 43 3.798 1.731 -0.552 1.00 0.00 C ATOM 582 O THR A 43 3.142 2.459 -1.296 1.00 0.00 O ATOM 583 CB THR A 43 4.948 -0.382 -1.219 1.00 0.00 C ATOM 584 OG1 THR A 43 5.124 0.080 -2.563 1.00 0.00 O ATOM 585 CG2 THR A 43 4.900 -1.902 -1.201 1.00 0.00 C ATOM 0 H THR A 43 2.437 0.252 -2.325 1.00 0.00 H new ATOM 0 HA THR A 43 3.517 -0.182 0.383 1.00 0.00 H new ATOM 0 HB THR A 43 5.790 -0.054 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.946 -0.302 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.821 -2.300 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.795 -2.251 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.049 -2.246 -1.789 1.00 0.00 H new ATOM 593 N ASN A 44 4.658 2.201 0.346 1.00 0.00 N ATOM 594 CA ASN A 44 4.884 3.632 0.512 1.00 0.00 C ATOM 595 C ASN A 44 3.573 4.360 0.797 1.00 0.00 C ATOM 596 O ASN A 44 3.240 5.342 0.133 1.00 0.00 O ATOM 597 CB ASN A 44 5.542 4.214 -0.740 1.00 0.00 C ATOM 598 CG ASN A 44 6.782 3.444 -1.153 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.896 2.996 -2.293 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.717 3.287 -0.224 1.00 0.00 N ATOM 0 H ASN A 44 5.210 1.612 0.970 1.00 0.00 H new ATOM 0 HA ASN A 44 5.550 3.773 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.824 4.208 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.808 5.255 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.573 2.777 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.580 3.676 0.709 1.00 0.00 H new ATOM 607 N ILE A 45 2.835 3.872 1.788 1.00 0.00 N ATOM 608 CA ILE A 45 1.562 4.477 2.161 1.00 0.00 C ATOM 609 C ILE A 45 1.773 5.681 3.072 1.00 0.00 C ATOM 610 O ILE A 45 2.575 5.635 4.003 1.00 0.00 O ATOM 611 CB ILE A 45 0.645 3.464 2.872 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.163 2.399 1.884 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.539 4.178 3.508 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.636 1.291 2.533 1.00 0.00 C ATOM 0 H ILE A 45 3.096 3.060 2.347 1.00 0.00 H new ATOM 0 HA ILE A 45 1.083 4.802 1.237 1.00 0.00 H new ATOM 0 HB ILE A 45 1.214 2.971 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.448 2.876 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.026 1.966 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.178 3.449 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.178 4.903 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.110 4.694 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.945 0.572 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.021 0.788 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.519 1.713 3.014 1.00 0.00 H new ATOM 626 N GLU A 46 1.044 6.759 2.797 1.00 0.00 N ATOM 627 CA GLU A 46 1.151 7.976 3.592 1.00 0.00 C ATOM 628 C GLU A 46 -0.143 8.241 4.357 1.00 0.00 C ATOM 629 O GLU A 46 -1.232 8.205 3.785 1.00 0.00 O ATOM 630 CB GLU A 46 1.480 9.171 2.695 1.00 0.00 C ATOM 631 CG GLU A 46 2.970 9.375 2.476 1.00 0.00 C ATOM 632 CD GLU A 46 3.327 10.825 2.210 1.00 0.00 C ATOM 633 OE1 GLU A 46 2.664 11.715 2.782 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.271 11.069 1.429 1.00 0.00 O ATOM 0 H GLU A 46 0.374 6.813 2.030 1.00 0.00 H new ATOM 0 HA GLU A 46 1.958 7.839 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.995 9.034 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.059 10.074 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.514 9.026 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.297 8.764 1.635 1.00 0.00 H new ATOM 641 N MET A 47 -0.014 8.507 5.653 1.00 0.00 N ATOM 642 CA MET A 47 -1.172 8.779 6.496 1.00 0.00 C ATOM 643 C MET A 47 -1.429 10.279 6.600 1.00 0.00 C ATOM 644 O MET A 47 -0.753 10.983 7.351 1.00 0.00 O ATOM 645 CB MET A 47 -0.964 8.188 7.891 1.00 0.00 C ATOM 646 CG MET A 47 -0.750 6.683 7.888 1.00 0.00 C ATOM 647 SD MET A 47 -1.040 5.936 9.503 1.00 0.00 S ATOM 648 CE MET A 47 -1.561 4.290 9.027 1.00 0.00 C ATOM 0 H MET A 47 0.881 8.540 6.142 1.00 0.00 H new ATOM 0 HA MET A 47 -2.042 8.310 6.037 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.103 8.668 8.355 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.831 8.422 8.509 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.417 6.227 7.156 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.270 6.466 7.569 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.777 3.704 9.920 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.457 4.356 8.410 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.766 3.806 8.460 1.00 0.00 H new ATOM 658 N ILE A 48 -2.408 10.761 5.841 1.00 0.00 N ATOM 659 CA ILE A 48 -2.753 12.177 5.849 1.00 0.00 C ATOM 660 C ILE A 48 -3.963 12.442 6.739 1.00 0.00 C ATOM 661 O ILE A 48 -3.874 13.176 7.723 1.00 0.00 O ATOM 662 CB ILE A 48 -3.051 12.692 4.429 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.824 12.518 3.532 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.479 14.151 4.473 1.00 0.00 C ATOM 665 CD1 ILE A 48 -2.141 12.582 2.054 1.00 0.00 C ATOM 0 H ILE A 48 -2.976 10.192 5.213 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.889 12.711 6.245 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.870 12.106 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.095 13.292 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.355 11.559 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.686 14.500 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.378 14.248 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.680 14.752 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.224 12.451 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.846 11.791 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.582 13.551 1.818 1.00 0.00 H new ATOM 677 N ASP A 49 -5.093 11.840 6.386 1.00 0.00 N ATOM 678 CA ASP A 49 -6.322 12.009 7.153 1.00 0.00 C ATOM 679 C ASP A 49 -6.774 10.681 7.753 1.00 0.00 C ATOM 680 O ASP A 49 -6.133 9.649 7.556 1.00 0.00 O ATOM 681 CB ASP A 49 -7.427 12.585 6.267 1.00 0.00 C ATOM 682 CG ASP A 49 -7.507 11.895 4.920 1.00 0.00 C ATOM 683 OD1 ASP A 49 -6.463 11.793 4.242 1.00 0.00 O ATOM 684 OD2 ASP A 49 -8.614 11.457 4.543 1.00 0.00 O ATOM 0 H ASP A 49 -5.184 11.230 5.573 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.121 12.706 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.385 12.490 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.250 13.650 6.117 1.00 0.00 H new ATOM 689 N ASP A 50 -7.881 10.716 8.487 1.00 0.00 N ATOM 690 CA ASP A 50 -8.419 9.516 9.116 1.00 0.00 C ATOM 691 C ASP A 50 -9.467 8.858 8.224 1.00 0.00 C ATOM 692 O ASP A 50 -10.429 8.266 8.712 1.00 0.00 O ATOM 693 CB ASP A 50 -9.031 9.858 10.476 1.00 0.00 C ATOM 694 CG ASP A 50 -8.026 9.755 11.606 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.881 10.218 11.425 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.384 9.210 12.671 1.00 0.00 O ATOM 0 H ASP A 50 -8.423 11.562 8.661 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.599 8.813 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.436 10.870 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.866 9.186 10.674 1.00 0.00 H new ATOM 701 N GLY A 51 -9.273 8.966 6.913 1.00 0.00 N ATOM 702 CA GLY A 51 -10.210 8.378 5.974 1.00 0.00 C ATOM 703 C GLY A 51 -9.576 8.090 4.627 1.00 0.00 C ATOM 704 O GLY A 51 -9.935 7.119 3.960 1.00 0.00 O ATOM 0 H GLY A 51 -8.484 9.450 6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.606 7.452 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.055 9.053 5.838 1.00 0.00 H new ATOM 708 N TRP A 52 -8.634 8.935 4.226 1.00 0.00 N ATOM 709 CA TRP A 52 -7.950 8.766 2.948 1.00 0.00 C ATOM 710 C TRP A 52 -6.438 8.723 3.141 1.00 0.00 C ATOM 711 O TRP A 52 -5.906 9.314 4.081 1.00 0.00 O ATOM 712 CB TRP A 52 -8.322 9.902 1.994 1.00 0.00 C ATOM 713 CG TRP A 52 -9.764 9.885 1.584 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.834 10.278 2.336 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.292 9.452 0.326 1.00 0.00 C ATOM 716 NE1 TRP A 52 -11.996 10.115 1.621 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.691 9.610 0.385 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.720 8.947 -0.845 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.522 9.281 -0.682 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.547 8.621 -1.903 1.00 0.00 C ATOM 721 CH2 TRP A 52 -11.935 8.789 -1.816 1.00 0.00 C ATOM 0 H TRP A 52 -8.326 9.744 4.766 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.269 7.818 2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.099 10.856 2.472 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.697 9.838 1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.776 10.661 3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.934 10.335 1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.651 8.814 -0.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.592 9.409 -0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.116 8.230 -2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.554 8.525 -2.661 1.00 0.00 H new ATOM 732 N TRP A 53 -5.752 8.019 2.248 1.00 0.00 N ATOM 733 CA TRP A 53 -4.301 7.899 2.321 1.00 0.00 C ATOM 734 C TRP A 53 -3.674 8.015 0.936 1.00 0.00 C ATOM 735 O TRP A 53 -4.366 7.922 -0.078 1.00 0.00 O ATOM 736 CB TRP A 53 -3.910 6.567 2.962 1.00 0.00 C ATOM 737 CG TRP A 53 -4.289 6.469 4.408 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.346 7.492 5.312 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.663 5.283 5.118 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.732 7.013 6.540 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.934 5.661 6.448 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.797 3.939 4.759 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.329 4.742 7.417 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.189 3.029 5.722 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.452 3.433 7.038 1.00 0.00 C ATOM 0 H TRP A 53 -6.177 7.523 1.465 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.925 8.715 2.938 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.386 5.754 2.413 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.833 6.428 2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.121 8.525 5.093 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.849 7.573 7.384 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.598 3.618 3.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.531 5.052 8.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.295 1.988 5.456 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.758 2.697 7.767 1.00 0.00 H new ATOM 756 N ARG A 54 -2.361 8.218 0.900 1.00 0.00 N ATOM 757 CA ARG A 54 -1.643 8.347 -0.362 1.00 0.00 C ATOM 758 C ARG A 54 -0.506 7.333 -0.447 1.00 0.00 C ATOM 759 O ARG A 54 0.428 7.363 0.354 1.00 0.00 O ATOM 760 CB ARG A 54 -1.088 9.764 -0.515 1.00 0.00 C ATOM 761 CG ARG A 54 -2.124 10.778 -0.973 1.00 0.00 C ATOM 762 CD ARG A 54 -1.517 12.164 -1.128 1.00 0.00 C ATOM 763 NE ARG A 54 -2.521 13.217 -1.011 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.232 14.476 -0.698 1.00 0.00 C ATOM 765 NH1 ARG A 54 -0.976 14.835 -0.474 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.202 15.378 -0.610 1.00 0.00 N ATOM 0 H ARG A 54 -1.773 8.297 1.730 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.345 8.149 -1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.673 10.087 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.266 9.748 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.552 10.459 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.941 10.816 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.748 12.310 -0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.025 12.238 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.497 12.973 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.228 14.144 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.757 15.802 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.170 15.105 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.980 16.344 -0.370 1.00 0.00 H new ATOM 780 N GLY A 55 -0.593 6.433 -1.422 1.00 0.00 N ATOM 781 CA GLY A 55 0.433 5.422 -1.593 1.00 0.00 C ATOM 782 C GLY A 55 0.676 5.082 -3.050 1.00 0.00 C ATOM 783 O GLY A 55 -0.117 5.444 -3.920 1.00 0.00 O ATOM 0 H GLY A 55 -1.357 6.387 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.363 5.773 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.142 4.519 -1.056 1.00 0.00 H new ATOM 787 N VAL A 56 1.777 4.387 -3.319 1.00 0.00 N ATOM 788 CA VAL A 56 2.122 3.999 -4.681 1.00 0.00 C ATOM 789 C VAL A 56 1.599 2.604 -5.004 1.00 0.00 C ATOM 790 O VAL A 56 2.152 1.602 -4.549 1.00 0.00 O ATOM 791 CB VAL A 56 3.646 4.028 -4.903 1.00 0.00 C ATOM 792 CG1 VAL A 56 3.987 3.602 -6.323 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.201 5.413 -4.605 1.00 0.00 C ATOM 0 H VAL A 56 2.445 4.081 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 56 1.651 4.723 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 56 4.110 3.320 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.068 3.629 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.624 2.589 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.514 4.283 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.279 5.416 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.733 6.142 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.989 5.674 -3.568 1.00 0.00 H new ATOM 803 N CYS A 57 0.533 2.546 -5.794 1.00 0.00 N ATOM 804 CA CYS A 57 -0.066 1.273 -6.179 1.00 0.00 C ATOM 805 C CYS A 57 0.051 1.050 -7.683 1.00 0.00 C ATOM 806 O CYS A 57 -0.298 1.921 -8.480 1.00 0.00 O ATOM 807 CB CYS A 57 -1.535 1.228 -5.757 1.00 0.00 C ATOM 808 SG CYS A 57 -2.674 1.926 -6.976 1.00 0.00 S ATOM 0 H CYS A 57 0.065 3.366 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 57 0.475 0.476 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.815 0.192 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.649 1.769 -4.817 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.019 2.235 -8.055 1.00 0.00 H new ATOM 814 N LYS A 58 0.547 -0.122 -8.065 1.00 0.00 N ATOM 815 CA LYS A 58 0.711 -0.461 -9.474 1.00 0.00 C ATOM 816 C LYS A 58 1.336 0.698 -10.243 1.00 0.00 C ATOM 817 O LYS A 58 1.028 0.917 -11.414 1.00 0.00 O ATOM 818 CB LYS A 58 -0.640 -0.828 -10.093 1.00 0.00 C ATOM 819 CG LYS A 58 -1.222 -2.124 -9.556 1.00 0.00 C ATOM 820 CD LYS A 58 -2.595 -2.403 -10.144 1.00 0.00 C ATOM 821 CE LYS A 58 -2.494 -3.124 -11.480 1.00 0.00 C ATOM 822 NZ LYS A 58 -2.422 -2.169 -12.620 1.00 0.00 N ATOM 0 H LYS A 58 0.843 -0.853 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 58 1.379 -1.320 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.346 -0.018 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.525 -0.911 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.550 -2.950 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.294 -2.069 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.175 -3.007 -9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.133 -1.464 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.610 -3.761 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.358 -3.777 -11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.073 -2.475 -13.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.691 -1.219 -12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.451 -2.145 -12.992 1.00 0.00 H new ATOM 836 N GLY A 59 2.218 1.438 -9.577 1.00 0.00 N ATOM 837 CA GLY A 59 2.874 2.565 -10.214 1.00 0.00 C ATOM 838 C GLY A 59 1.978 3.784 -10.300 1.00 0.00 C ATOM 839 O GLY A 59 1.948 4.471 -11.321 1.00 0.00 O ATOM 0 H GLY A 59 2.490 1.277 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.776 2.819 -9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.190 2.278 -11.217 1.00 0.00 H new ATOM 843 N ARG A 60 1.243 4.054 -9.225 1.00 0.00 N ATOM 844 CA ARG A 60 0.340 5.197 -9.184 1.00 0.00 C ATOM 845 C ARG A 60 0.208 5.735 -7.762 1.00 0.00 C ATOM 846 O ARG A 60 -0.157 5.003 -6.842 1.00 0.00 O ATOM 847 CB ARG A 60 -1.037 4.806 -9.722 1.00 0.00 C ATOM 848 CG ARG A 60 -1.186 5.011 -11.221 1.00 0.00 C ATOM 849 CD ARG A 60 -2.624 5.332 -11.599 1.00 0.00 C ATOM 850 NE ARG A 60 -2.956 4.859 -12.940 1.00 0.00 N ATOM 851 CZ ARG A 60 -2.550 5.460 -14.053 1.00 0.00 C ATOM 852 NH1 ARG A 60 -1.801 6.552 -13.985 1.00 0.00 N ATOM 853 NH2 ARG A 60 -2.894 4.970 -15.237 1.00 0.00 N ATOM 0 H ARG A 60 1.256 3.496 -8.371 1.00 0.00 H new ATOM 0 HA ARG A 60 0.759 5.982 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.226 3.759 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.799 5.391 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.534 5.822 -11.545 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.862 4.112 -11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.300 4.875 -10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.781 6.409 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.531 4.021 -13.027 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.535 6.932 -13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.491 7.012 -14.841 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.471 4.131 -15.294 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.582 5.433 -16.091 1.00 0.00 H new ATOM 867 N TYR A 61 0.508 7.017 -7.590 1.00 0.00 N ATOM 868 CA TYR A 61 0.426 7.653 -6.280 1.00 0.00 C ATOM 869 C TYR A 61 -0.701 8.680 -6.243 1.00 0.00 C ATOM 870 O TYR A 61 -0.626 9.725 -6.887 1.00 0.00 O ATOM 871 CB TYR A 61 1.756 8.325 -5.932 1.00 0.00 C ATOM 872 CG TYR A 61 1.697 9.172 -4.681 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.915 8.612 -3.428 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.423 10.532 -4.752 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.861 9.382 -2.283 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.368 11.310 -3.612 1.00 0.00 C ATOM 877 CZ TYR A 61 1.588 10.730 -2.379 1.00 0.00 C ATOM 878 OH TYR A 61 1.535 11.501 -1.241 1.00 0.00 O ATOM 0 H TYR A 61 0.810 7.637 -8.341 1.00 0.00 H new ATOM 0 HA TYR A 61 0.213 6.880 -5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.519 7.557 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.068 8.949 -6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.130 7.557 -3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.250 10.989 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.032 8.930 -1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.154 12.366 -3.685 1.00 0.00 H new ATOM 0 HH TYR A 61 1.333 12.429 -1.484 1.00 0.00 H new ATOM 888 N GLY A 62 -1.747 8.374 -5.481 1.00 0.00 N ATOM 889 CA GLY A 62 -2.876 9.279 -5.372 1.00 0.00 C ATOM 890 C GLY A 62 -3.674 9.060 -4.102 1.00 0.00 C ATOM 891 O GLY A 62 -3.283 8.268 -3.243 1.00 0.00 O ATOM 0 H GLY A 62 -1.832 7.515 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.517 10.308 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.529 9.146 -6.235 1.00 0.00 H new ATOM 895 N LEU A 63 -4.795 9.762 -3.982 1.00 0.00 N ATOM 896 CA LEU A 63 -5.651 9.642 -2.806 1.00 0.00 C ATOM 897 C LEU A 63 -6.540 8.407 -2.904 1.00 0.00 C ATOM 898 O LEU A 63 -7.065 8.090 -3.972 1.00 0.00 O ATOM 899 CB LEU A 63 -6.514 10.895 -2.649 1.00 0.00 C ATOM 900 CG LEU A 63 -5.851 12.083 -1.950 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.481 13.390 -2.407 1.00 0.00 C ATOM 902 CD2 LEU A 63 -5.954 11.938 -0.439 1.00 0.00 C ATOM 0 H LEU A 63 -5.133 10.420 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.011 9.538 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.837 11.216 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.412 10.626 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.796 12.098 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.997 14.224 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.354 13.498 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.544 13.386 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.477 12.792 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.004 11.897 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.455 11.021 -0.127 1.00 0.00 H new ATOM 914 N PHE A 64 -6.708 7.714 -1.783 1.00 0.00 N ATOM 915 CA PHE A 64 -7.535 6.514 -1.742 1.00 0.00 C ATOM 916 C PHE A 64 -8.113 6.299 -0.346 1.00 0.00 C ATOM 917 O PHE A 64 -7.481 6.595 0.668 1.00 0.00 O ATOM 918 CB PHE A 64 -6.718 5.290 -2.162 1.00 0.00 C ATOM 919 CG PHE A 64 -5.698 4.872 -1.141 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.059 4.070 -0.071 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.379 5.280 -1.253 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.122 3.684 0.870 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.438 4.898 -0.316 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.810 4.098 0.747 1.00 0.00 C ATOM 0 H PHE A 64 -6.282 7.963 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.360 6.648 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.396 4.457 -2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.212 5.506 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.083 3.743 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.082 5.904 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.416 3.059 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.413 5.224 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.077 3.797 1.480 1.00 0.00 H new ATOM 934 N PRO A 65 -9.345 5.771 -0.291 1.00 0.00 N ATOM 935 CA PRO A 65 -10.036 5.505 0.974 1.00 0.00 C ATOM 936 C PRO A 65 -9.403 4.355 1.749 1.00 0.00 C ATOM 937 O PRO A 65 -9.175 3.276 1.203 1.00 0.00 O ATOM 938 CB PRO A 65 -11.454 5.135 0.532 1.00 0.00 C ATOM 939 CG PRO A 65 -11.296 4.618 -0.857 1.00 0.00 C ATOM 940 CD PRO A 65 -10.158 5.394 -1.460 1.00 0.00 C ATOM 0 HA PRO A 65 -9.994 6.360 1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.889 4.381 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.116 6.001 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.081 3.549 -0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.211 4.757 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.589 4.790 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.512 6.270 -2.003 1.00 0.00 H new ATOM 948 N ALA A 66 -9.122 4.593 3.026 1.00 0.00 N ATOM 949 CA ALA A 66 -8.517 3.576 3.877 1.00 0.00 C ATOM 950 C ALA A 66 -9.526 2.491 4.238 1.00 0.00 C ATOM 951 O ALA A 66 -9.196 1.529 4.931 1.00 0.00 O ATOM 952 CB ALA A 66 -7.950 4.211 5.138 1.00 0.00 C ATOM 0 H ALA A 66 -9.304 5.481 3.494 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.704 3.110 3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.501 3.439 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.191 4.945 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.751 4.705 5.689 1.00 0.00 H new ATOM 958 N ASN A 67 -10.757 2.652 3.763 1.00 0.00 N ATOM 959 CA ASN A 67 -11.815 1.686 4.037 1.00 0.00 C ATOM 960 C ASN A 67 -11.755 0.521 3.055 1.00 0.00 C ATOM 961 O ASN A 67 -12.021 -0.625 3.418 1.00 0.00 O ATOM 962 CB ASN A 67 -13.185 2.363 3.960 1.00 0.00 C ATOM 963 CG ASN A 67 -13.600 2.981 5.281 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.849 2.275 6.258 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.677 4.306 5.316 1.00 0.00 N ATOM 0 H ASN A 67 -11.046 3.442 3.187 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.666 1.297 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.163 3.136 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.932 1.631 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.952 4.778 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.461 4.852 4.482 1.00 0.00 H new ATOM 972 N TYR A 68 -11.403 0.822 1.809 1.00 0.00 N ATOM 973 CA TYR A 68 -11.310 -0.200 0.774 1.00 0.00 C ATOM 974 C TYR A 68 -9.987 -0.954 0.869 1.00 0.00 C ATOM 975 O TYR A 68 -9.617 -1.700 -0.037 1.00 0.00 O ATOM 976 CB TYR A 68 -11.449 0.434 -0.612 1.00 0.00 C ATOM 977 CG TYR A 68 -12.883 0.696 -1.016 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.559 1.820 -0.559 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.560 -0.181 -1.854 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.869 2.063 -0.925 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.869 0.055 -2.226 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.520 1.178 -1.759 1.00 0.00 C ATOM 983 OH TYR A 68 -16.824 1.416 -2.127 1.00 0.00 O ATOM 0 H TYR A 68 -11.178 1.765 1.492 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.124 -0.909 0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.898 1.374 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.986 -0.221 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.052 2.516 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.054 -1.062 -2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.381 2.941 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.380 -0.636 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.133 0.698 -2.718 1.00 0.00 H new ATOM 993 N VAL A 69 -9.278 -0.753 1.976 1.00 0.00 N ATOM 994 CA VAL A 69 -7.997 -1.414 2.193 1.00 0.00 C ATOM 995 C VAL A 69 -7.801 -1.763 3.664 1.00 0.00 C ATOM 996 O VAL A 69 -8.534 -1.284 4.528 1.00 0.00 O ATOM 997 CB VAL A 69 -6.824 -0.532 1.725 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.031 -0.086 0.286 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.660 0.668 2.646 1.00 0.00 C ATOM 0 H VAL A 69 -9.569 -0.138 2.736 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.010 -2.331 1.604 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.909 -1.122 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.192 0.536 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.094 -0.961 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.955 0.487 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.827 1.280 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.574 1.261 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.461 0.323 3.661 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.805 -2.600 3.941 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.514 -3.013 5.309 1.00 0.00 C ATOM 1011 C GLU A 70 -5.008 -3.090 5.544 1.00 0.00 C ATOM 1012 O GLU A 70 -4.325 -3.955 4.995 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.157 -4.370 5.603 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.968 -4.834 7.038 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.055 -6.341 7.180 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -6.610 -7.050 6.252 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.567 -6.812 8.217 1.00 0.00 O ATOM 0 H GLU A 70 -6.187 -3.004 3.237 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.933 -2.267 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.224 -4.312 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.735 -5.116 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.998 -4.494 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.725 -4.369 7.669 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.496 -2.178 6.363 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.071 -2.140 6.672 1.00 0.00 C ATOM 1026 C LEU A 71 -2.589 -3.495 7.182 1.00 0.00 C ATOM 1027 O LEU A 71 -3.295 -4.177 7.924 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.783 -1.058 7.715 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.153 0.371 7.317 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.523 1.188 8.546 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.006 1.029 6.563 1.00 0.00 C ATOM 0 H LEU A 71 -5.047 -1.455 6.825 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.532 -1.904 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.320 -1.310 8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.720 -1.084 7.953 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.020 0.331 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.783 2.202 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.376 0.728 9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.675 1.220 9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.287 2.045 6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.121 1.057 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.787 0.456 5.662 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.381 -3.876 6.781 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.803 -5.148 7.199 1.00 0.00 C ATOM 1045 C ARG A 72 0.200 -4.945 8.330 1.00 0.00 C ATOM 1046 O ARG A 72 1.112 -4.125 8.223 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.120 -5.835 6.014 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.952 -5.824 4.742 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.376 -6.762 3.692 1.00 0.00 C ATOM 1050 NE ARG A 72 0.723 -6.147 2.953 1.00 0.00 N ATOM 1051 CZ ARG A 72 1.977 -6.117 3.391 1.00 0.00 C ATOM 1052 NH1 ARG A 72 2.289 -6.664 4.558 1.00 0.00 N ATOM 1053 NH2 ARG A 72 2.922 -5.539 2.660 1.00 0.00 N ATOM 0 H ARG A 72 -0.783 -3.322 6.167 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.610 -5.783 7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.833 -5.343 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.104 -6.867 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.976 -6.119 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.995 -4.811 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.023 -7.673 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.162 -7.054 2.996 1.00 0.00 H new ATOM 0 HE ARG A 72 0.517 -5.717 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.565 -7.109 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.253 -6.639 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.686 -5.118 1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.885 -5.516 2.997 1.00 0.00 H new ATOM 1067 N GLN A 73 0.024 -5.696 9.412 1.00 0.00 N ATOM 1068 CA GLN A 73 0.914 -5.597 10.563 1.00 0.00 C ATOM 1069 C GLN A 73 0.651 -6.727 11.553 1.00 0.00 C ATOM 1070 O GLN A 73 -0.497 -7.023 11.882 1.00 0.00 O ATOM 1071 CB GLN A 73 0.737 -4.245 11.256 1.00 0.00 C ATOM 1072 CG GLN A 73 1.854 -3.910 12.232 1.00 0.00 C ATOM 1073 CD GLN A 73 1.704 -2.529 12.838 1.00 0.00 C ATOM 1074 OE1 GLN A 73 1.065 -2.360 13.877 1.00 0.00 O ATOM 1075 NE2 GLN A 73 2.295 -1.531 12.191 1.00 0.00 N ATOM 0 H GLN A 73 -0.726 -6.379 9.516 1.00 0.00 H new ATOM 0 HA GLN A 73 1.940 -5.683 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.681 -3.463 10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.214 -4.241 11.790 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.870 -4.653 13.029 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.813 -3.975 11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.815 -1.716 11.333 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.229 -0.579 12.552 1.00 0.00 H new ATOM 1084 N SER A 74 1.724 -7.355 12.025 1.00 0.00 N ATOM 1085 CA SER A 74 1.609 -8.456 12.974 1.00 0.00 C ATOM 1086 C SER A 74 1.949 -7.992 14.387 1.00 0.00 C ATOM 1087 O SER A 74 1.236 -8.299 15.342 1.00 0.00 O ATOM 1088 CB SER A 74 2.532 -9.606 12.567 1.00 0.00 C ATOM 1089 OG SER A 74 3.884 -9.186 12.528 1.00 0.00 O ATOM 0 H SER A 74 2.682 -7.120 11.766 1.00 0.00 H new ATOM 0 HA SER A 74 0.577 -8.807 12.963 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.424 -10.430 13.272 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.237 -9.984 11.588 1.00 0.00 H new ATOM 0 HG SER A 74 4.453 -9.940 12.267 1.00 0.00 H new ATOM 1095 N GLY A 75 3.044 -7.249 14.512 1.00 0.00 N ATOM 1096 CA GLY A 75 3.461 -6.754 15.812 1.00 0.00 C ATOM 1097 C GLY A 75 4.969 -6.712 15.960 1.00 0.00 C ATOM 1098 O GLY A 75 5.624 -5.738 15.589 1.00 0.00 O ATOM 0 H GLY A 75 3.650 -6.981 13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.056 -5.753 15.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.040 -7.389 16.591 1.00 0.00 H new ATOM 1102 N PRO A 76 5.542 -7.790 16.517 1.00 0.00 N ATOM 1103 CA PRO A 76 6.989 -7.896 16.727 1.00 0.00 C ATOM 1104 C PRO A 76 7.756 -8.042 15.418 1.00 0.00 C ATOM 1105 O PRO A 76 7.939 -9.151 14.915 1.00 0.00 O ATOM 1106 CB PRO A 76 7.132 -9.162 17.575 1.00 0.00 C ATOM 1107 CG PRO A 76 5.925 -9.974 17.251 1.00 0.00 C ATOM 1108 CD PRO A 76 4.823 -8.987 16.983 1.00 0.00 C ATOM 0 HA PRO A 76 7.399 -7.002 17.198 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.048 -9.700 17.331 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.175 -8.924 18.638 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.102 -10.607 16.381 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.665 -10.634 18.078 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.127 -9.356 16.230 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.241 -8.782 17.881 1.00 0.00 H new ATOM 1116 N SER A 77 8.203 -6.917 14.870 1.00 0.00 N ATOM 1117 CA SER A 77 8.949 -6.920 13.617 1.00 0.00 C ATOM 1118 C SER A 77 10.372 -7.424 13.832 1.00 0.00 C ATOM 1119 O SER A 77 10.935 -7.283 14.918 1.00 0.00 O ATOM 1120 CB SER A 77 8.979 -5.514 13.014 1.00 0.00 C ATOM 1121 OG SER A 77 9.898 -4.684 13.702 1.00 0.00 O ATOM 0 H SER A 77 8.062 -5.991 15.274 1.00 0.00 H new ATOM 0 HA SER A 77 8.445 -7.594 12.925 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.254 -5.572 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.983 -5.074 13.059 1.00 0.00 H new ATOM 0 HG SER A 77 9.900 -3.792 13.297 1.00 0.00 H new ATOM 1127 N SER A 78 10.950 -8.012 12.789 1.00 0.00 N ATOM 1128 CA SER A 78 12.306 -8.541 12.864 1.00 0.00 C ATOM 1129 C SER A 78 13.328 -7.472 12.487 1.00 0.00 C ATOM 1130 O SER A 78 12.974 -6.416 11.966 1.00 0.00 O ATOM 1131 CB SER A 78 12.455 -9.753 11.943 1.00 0.00 C ATOM 1132 OG SER A 78 12.408 -9.367 10.580 1.00 0.00 O ATOM 0 H SER A 78 10.500 -8.134 11.882 1.00 0.00 H new ATOM 0 HA SER A 78 12.493 -8.850 13.892 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.400 -10.256 12.149 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.660 -10.470 12.149 1.00 0.00 H new ATOM 0 HG SER A 78 12.507 -10.159 10.012 1.00 0.00 H new ATOM 1138 N GLY A 79 14.599 -7.756 12.754 1.00 0.00 N ATOM 1139 CA GLY A 79 15.653 -6.811 12.437 1.00 0.00 C ATOM 1140 C GLY A 79 16.526 -6.492 13.634 1.00 0.00 C ATOM 1141 O GLY A 79 16.508 -5.371 14.143 1.00 0.00 O ATOM 0 H GLY A 79 14.917 -8.624 13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.273 -7.217 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.209 -5.890 12.059 1.00 0.00 H new TER 1145 GLY A 79