USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.34 K(o=-2.3,f=-3.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.233 K(o=0.23,f=-8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -7.73! C(o=-7.7!,f=-7.9!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.454) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 171:sc= -0.689 (180deg=-0.812) USER MOD Single : A 46 CYS SG : rot -140:sc= -2.84 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.66 F(o=-2.4!,f=-0.66) USER MOD Single : A 52 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.023) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= -0.0186 (180deg=-0.0215) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc=-0.00369 (180deg=-0.0427) USER MOD Single : A 78 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.42) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 86 LYS NZ :NH3+ -126:sc= -2.26 (180deg=-3.79!) USER MOD Single : A 87 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.1!) USER MOD Single : A 88 THR OG1 : rot 103:sc= 1.16 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00477 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.063 4.007 -5.452 1.00 0.00 N ATOM 2 CA GLY A 1 -16.416 4.709 -4.231 1.00 0.00 C ATOM 3 C GLY A 1 -15.946 6.150 -4.233 1.00 0.00 C ATOM 4 O GLY A 1 -14.811 6.439 -4.609 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.407 3.027 -5.401 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.500 4.485 -6.266 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.029 4.006 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.498 4.683 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.980 4.189 -3.378 1.00 0.00 H new ATOM 8 N SER A 2 -16.823 7.057 -3.816 1.00 0.00 N ATOM 9 CA SER A 2 -16.493 8.478 -3.776 1.00 0.00 C ATOM 10 C SER A 2 -15.640 8.803 -2.554 1.00 0.00 C ATOM 11 O SER A 2 -16.129 8.801 -1.424 1.00 0.00 O ATOM 12 CB SER A 2 -17.771 9.319 -3.759 1.00 0.00 C ATOM 13 OG SER A 2 -17.472 10.698 -3.625 1.00 0.00 O ATOM 0 H SER A 2 -17.767 6.834 -3.501 1.00 0.00 H new ATOM 0 HA SER A 2 -15.920 8.719 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.332 9.153 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.409 9.000 -2.935 1.00 0.00 H new ATOM 0 HG SER A 2 -18.305 11.214 -3.618 1.00 0.00 H new ATOM 19 N SER A 3 -14.362 9.083 -2.790 1.00 0.00 N ATOM 20 CA SER A 3 -13.439 9.408 -1.708 1.00 0.00 C ATOM 21 C SER A 3 -12.478 10.516 -2.129 1.00 0.00 C ATOM 22 O SER A 3 -11.723 10.368 -3.089 1.00 0.00 O ATOM 23 CB SER A 3 -12.651 8.165 -1.293 1.00 0.00 C ATOM 24 OG SER A 3 -12.073 8.333 -0.010 1.00 0.00 O ATOM 0 H SER A 3 -13.942 9.091 -3.720 1.00 0.00 H new ATOM 0 HA SER A 3 -14.023 9.761 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.311 7.297 -1.287 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.868 7.966 -2.025 1.00 0.00 H new ATOM 0 HG SER A 3 -11.576 7.524 0.233 1.00 0.00 H new ATOM 30 N GLY A 4 -12.512 11.629 -1.401 1.00 0.00 N ATOM 31 CA GLY A 4 -11.641 12.746 -1.714 1.00 0.00 C ATOM 32 C GLY A 4 -11.161 13.472 -0.472 1.00 0.00 C ATOM 33 O GLY A 4 -11.668 14.543 -0.137 1.00 0.00 O ATOM 0 H GLY A 4 -13.127 11.776 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.780 12.385 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.171 13.447 -2.359 1.00 0.00 H new ATOM 37 N SER A 5 -10.184 12.887 0.213 1.00 0.00 N ATOM 38 CA SER A 5 -9.640 13.482 1.427 1.00 0.00 C ATOM 39 C SER A 5 -9.621 15.005 1.325 1.00 0.00 C ATOM 40 O SER A 5 -9.471 15.563 0.238 1.00 0.00 O ATOM 41 CB SER A 5 -8.226 12.960 1.688 1.00 0.00 C ATOM 42 OG SER A 5 -8.259 11.670 2.272 1.00 0.00 O ATOM 0 H SER A 5 -9.753 12.001 -0.052 1.00 0.00 H new ATOM 0 HA SER A 5 -10.284 13.199 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.669 12.925 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.697 13.648 2.348 1.00 0.00 H new ATOM 0 HG SER A 5 -7.343 11.358 2.427 1.00 0.00 H new ATOM 48 N SER A 6 -9.775 15.670 2.466 1.00 0.00 N ATOM 49 CA SER A 6 -9.780 17.128 2.505 1.00 0.00 C ATOM 50 C SER A 6 -8.359 17.673 2.616 1.00 0.00 C ATOM 51 O SER A 6 -7.938 18.507 1.815 1.00 0.00 O ATOM 52 CB SER A 6 -10.621 17.624 3.683 1.00 0.00 C ATOM 53 OG SER A 6 -11.974 17.802 3.303 1.00 0.00 O ATOM 0 H SER A 6 -9.898 15.223 3.375 1.00 0.00 H new ATOM 0 HA SER A 6 -10.219 17.491 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.561 16.909 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.216 18.567 4.052 1.00 0.00 H new ATOM 0 HG SER A 6 -12.491 18.118 4.073 1.00 0.00 H new ATOM 59 N GLY A 7 -7.623 17.195 3.616 1.00 0.00 N ATOM 60 CA GLY A 7 -6.259 17.644 3.814 1.00 0.00 C ATOM 61 C GLY A 7 -6.148 18.706 4.890 1.00 0.00 C ATOM 62 O GLY A 7 -5.573 19.771 4.664 1.00 0.00 O ATOM 0 H GLY A 7 -7.949 16.504 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.635 16.792 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.870 18.040 2.876 1.00 0.00 H new ATOM 66 N SER A 8 -6.701 18.416 6.063 1.00 0.00 N ATOM 67 CA SER A 8 -6.667 19.357 7.177 1.00 0.00 C ATOM 68 C SER A 8 -5.534 19.017 8.141 1.00 0.00 C ATOM 69 O SER A 8 -5.660 18.114 8.970 1.00 0.00 O ATOM 70 CB SER A 8 -8.004 19.349 7.920 1.00 0.00 C ATOM 71 OG SER A 8 -8.033 20.342 8.931 1.00 0.00 O ATOM 0 H SER A 8 -7.178 17.538 6.267 1.00 0.00 H new ATOM 0 HA SER A 8 -6.490 20.354 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.817 19.521 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.170 18.368 8.365 1.00 0.00 H new ATOM 0 HG SER A 8 -8.899 20.317 9.390 1.00 0.00 H new ATOM 77 N ILE A 9 -4.428 19.744 8.025 1.00 0.00 N ATOM 78 CA ILE A 9 -3.274 19.522 8.886 1.00 0.00 C ATOM 79 C ILE A 9 -3.088 20.674 9.867 1.00 0.00 C ATOM 80 O ILE A 9 -2.765 21.794 9.469 1.00 0.00 O ATOM 81 CB ILE A 9 -1.984 19.348 8.064 1.00 0.00 C ATOM 82 CG1 ILE A 9 -2.121 18.169 7.099 1.00 0.00 C ATOM 83 CG2 ILE A 9 -0.790 19.149 8.985 1.00 0.00 C ATOM 84 CD1 ILE A 9 -1.013 18.096 6.072 1.00 0.00 C ATOM 0 H ILE A 9 -4.307 20.492 7.342 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.468 18.604 9.442 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.820 20.254 7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.136 17.242 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.079 18.241 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.114 19.028 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.682 20.018 9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.945 18.258 9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.175 17.236 5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.011 19.007 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.054 17.992 6.579 1.00 0.00 H new ATOM 96 N GLN A 10 -3.292 20.393 11.149 1.00 0.00 N ATOM 97 CA GLN A 10 -3.145 21.407 12.187 1.00 0.00 C ATOM 98 C GLN A 10 -2.091 20.993 13.208 1.00 0.00 C ATOM 99 O GLN A 10 -1.892 19.805 13.464 1.00 0.00 O ATOM 100 CB GLN A 10 -4.484 21.647 12.887 1.00 0.00 C ATOM 101 CG GLN A 10 -5.006 20.431 13.634 1.00 0.00 C ATOM 102 CD GLN A 10 -4.488 20.352 15.057 1.00 0.00 C ATOM 103 OE1 GLN A 10 -3.570 19.587 15.354 1.00 0.00 O ATOM 104 NE2 GLN A 10 -5.073 21.146 15.945 1.00 0.00 N ATOM 0 H GLN A 10 -3.560 19.471 11.495 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.820 22.333 11.712 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.375 22.475 13.588 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.222 21.952 12.146 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.096 20.459 13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.718 19.528 13.096 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.830 21.765 15.655 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.765 21.138 16.917 1.00 0.00 H new ATOM 113 N LYS A 11 -1.416 21.980 13.787 1.00 0.00 N ATOM 114 CA LYS A 11 -0.381 21.719 14.781 1.00 0.00 C ATOM 115 C LYS A 11 0.434 20.485 14.407 1.00 0.00 C ATOM 116 O LYS A 11 0.757 19.661 15.262 1.00 0.00 O ATOM 117 CB LYS A 11 -1.010 21.528 16.164 1.00 0.00 C ATOM 118 CG LYS A 11 -1.191 22.825 16.934 1.00 0.00 C ATOM 119 CD LYS A 11 0.088 23.235 17.645 1.00 0.00 C ATOM 120 CE LYS A 11 0.091 24.718 17.976 1.00 0.00 C ATOM 121 NZ LYS A 11 -0.724 25.018 19.186 1.00 0.00 N ATOM 0 H LYS A 11 -1.567 22.968 13.585 1.00 0.00 H new ATOM 0 HA LYS A 11 0.287 22.580 14.808 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.980 21.045 16.049 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.385 20.853 16.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.497 23.616 16.249 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.992 22.707 17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.197 22.656 18.562 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.947 23.000 17.016 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.116 25.052 18.137 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.298 25.280 17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.697 26.040 19.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.708 24.723 19.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.337 24.502 20.002 1.00 0.00 H new ATOM 135 N ASP A 12 0.765 20.367 13.127 1.00 0.00 N ATOM 136 CA ASP A 12 1.546 19.236 12.640 1.00 0.00 C ATOM 137 C ASP A 12 2.338 19.618 11.393 1.00 0.00 C ATOM 138 O ASP A 12 1.797 20.206 10.457 1.00 0.00 O ATOM 139 CB ASP A 12 0.628 18.050 12.333 1.00 0.00 C ATOM 140 CG ASP A 12 1.367 16.903 11.672 1.00 0.00 C ATOM 141 OD1 ASP A 12 2.491 16.587 12.115 1.00 0.00 O ATOM 142 OD2 ASP A 12 0.821 16.321 10.711 1.00 0.00 O ATOM 0 H ASP A 12 0.505 21.041 12.407 1.00 0.00 H new ATOM 0 HA ASP A 12 2.250 18.949 13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.171 17.699 13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.182 18.380 11.682 1.00 0.00 H new ATOM 147 N LEU A 13 3.623 19.281 11.390 1.00 0.00 N ATOM 148 CA LEU A 13 4.492 19.590 10.260 1.00 0.00 C ATOM 149 C LEU A 13 5.215 18.339 9.771 1.00 0.00 C ATOM 150 O LEU A 13 6.082 17.802 10.461 1.00 0.00 O ATOM 151 CB LEU A 13 5.510 20.662 10.651 1.00 0.00 C ATOM 152 CG LEU A 13 4.959 22.076 10.832 1.00 0.00 C ATOM 153 CD1 LEU A 13 4.321 22.230 12.204 1.00 0.00 C ATOM 154 CD2 LEU A 13 6.062 23.108 10.635 1.00 0.00 C ATOM 0 H LEU A 13 4.086 18.794 12.157 1.00 0.00 H new ATOM 0 HA LEU A 13 3.870 19.968 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.988 20.358 11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.288 20.692 9.888 1.00 0.00 H new ATOM 0 HG LEU A 13 4.191 22.245 10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.935 23.243 12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.503 21.517 12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.067 22.041 12.976 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.652 24.109 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.852 22.940 11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.472 23.014 9.630 1.00 0.00 H new ATOM 166 N ALA A 14 4.854 17.880 8.577 1.00 0.00 N ATOM 167 CA ALA A 14 5.472 16.695 7.995 1.00 0.00 C ATOM 168 C ALA A 14 5.168 16.595 6.505 1.00 0.00 C ATOM 169 O ALA A 14 4.315 17.312 5.985 1.00 0.00 O ATOM 170 CB ALA A 14 4.998 15.444 8.718 1.00 0.00 C ATOM 0 H ALA A 14 4.137 18.311 7.994 1.00 0.00 H new ATOM 0 HA ALA A 14 6.552 16.782 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.467 14.567 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.271 15.507 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.915 15.361 8.629 1.00 0.00 H new ATOM 176 N ASN A 15 5.874 15.699 5.820 1.00 0.00 N ATOM 177 CA ASN A 15 5.681 15.506 4.388 1.00 0.00 C ATOM 178 C ASN A 15 5.118 14.118 4.098 1.00 0.00 C ATOM 179 O ASN A 15 4.338 13.937 3.162 1.00 0.00 O ATOM 180 CB ASN A 15 7.003 15.698 3.643 1.00 0.00 C ATOM 181 CG ASN A 15 8.084 14.751 4.130 1.00 0.00 C ATOM 182 OD1 ASN A 15 8.047 14.282 5.267 1.00 0.00 O ATOM 183 ND2 ASN A 15 9.053 14.467 3.268 1.00 0.00 N ATOM 0 H ASN A 15 6.584 15.096 6.235 1.00 0.00 H new ATOM 0 HA ASN A 15 4.965 16.250 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.842 15.543 2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.341 16.727 3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.808 13.836 3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.043 14.879 2.335 1.00 0.00 H new ATOM 190 N ILE A 16 5.517 13.143 4.906 1.00 0.00 N ATOM 191 CA ILE A 16 5.051 11.772 4.737 1.00 0.00 C ATOM 192 C ILE A 16 3.596 11.738 4.282 1.00 0.00 C ATOM 193 O ILE A 16 2.789 12.575 4.688 1.00 0.00 O ATOM 194 CB ILE A 16 5.189 10.966 6.042 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.664 10.760 6.388 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.477 9.628 5.916 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.467 10.143 5.263 1.00 0.00 C ATOM 0 H ILE A 16 6.162 13.276 5.685 1.00 0.00 H new ATOM 0 HA ILE A 16 5.679 11.317 3.971 1.00 0.00 H new ATOM 0 HB ILE A 16 4.722 11.530 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.104 11.721 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.737 10.122 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.584 9.070 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.419 9.796 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.917 9.057 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.504 10.026 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.051 9.167 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.425 10.791 4.388 1.00 0.00 H new ATOM 209 N ALA A 17 3.267 10.764 3.441 1.00 0.00 N ATOM 210 CA ALA A 17 1.908 10.619 2.935 1.00 0.00 C ATOM 211 C ALA A 17 1.344 9.240 3.265 1.00 0.00 C ATOM 212 O ALA A 17 1.799 8.230 2.730 1.00 0.00 O ATOM 213 CB ALA A 17 1.877 10.858 1.432 1.00 0.00 C ATOM 0 H ALA A 17 3.923 10.063 3.096 1.00 0.00 H new ATOM 0 HA ALA A 17 1.282 11.366 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.856 10.747 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.232 11.866 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.521 10.133 0.935 1.00 0.00 H new ATOM 219 N GLU A 18 0.352 9.208 4.149 1.00 0.00 N ATOM 220 CA GLU A 18 -0.272 7.953 4.550 1.00 0.00 C ATOM 221 C GLU A 18 -1.449 7.615 3.639 1.00 0.00 C ATOM 222 O GLU A 18 -2.425 8.361 3.564 1.00 0.00 O ATOM 223 CB GLU A 18 -0.745 8.035 6.003 1.00 0.00 C ATOM 224 CG GLU A 18 -1.111 6.686 6.601 1.00 0.00 C ATOM 225 CD GLU A 18 -2.443 6.166 6.096 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.481 5.627 4.970 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.446 6.297 6.827 1.00 0.00 O ATOM 0 H GLU A 18 -0.036 10.036 4.601 1.00 0.00 H new ATOM 0 HA GLU A 18 0.473 7.162 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.040 8.490 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.611 8.694 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.330 5.964 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.147 6.772 7.687 1.00 0.00 H new ATOM 234 N VAL A 19 -1.347 6.485 2.947 1.00 0.00 N ATOM 235 CA VAL A 19 -2.403 6.046 2.040 1.00 0.00 C ATOM 236 C VAL A 19 -2.775 4.590 2.295 1.00 0.00 C ATOM 237 O VAL A 19 -1.939 3.694 2.178 1.00 0.00 O ATOM 238 CB VAL A 19 -1.979 6.205 0.568 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.094 5.751 -0.360 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.588 7.646 0.280 1.00 0.00 C ATOM 0 H VAL A 19 -0.545 5.857 2.996 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.269 6.679 2.232 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.109 5.573 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.777 5.871 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.322 4.702 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.984 6.354 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.291 7.741 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.438 8.300 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.754 7.932 0.921 1.00 0.00 H new ATOM 250 N GLU A 20 -4.038 4.361 2.646 1.00 0.00 N ATOM 251 CA GLU A 20 -4.522 3.013 2.919 1.00 0.00 C ATOM 252 C GLU A 20 -5.210 2.423 1.690 1.00 0.00 C ATOM 253 O GLU A 20 -5.586 3.148 0.768 1.00 0.00 O ATOM 254 CB GLU A 20 -5.491 3.024 4.102 1.00 0.00 C ATOM 255 CG GLU A 20 -4.845 3.444 5.412 1.00 0.00 C ATOM 256 CD GLU A 20 -5.864 3.785 6.482 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.920 4.357 6.134 1.00 0.00 O ATOM 258 OE2 GLU A 20 -5.609 3.482 7.665 1.00 0.00 O ATOM 0 H GLU A 20 -4.743 5.091 2.748 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.663 2.390 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.316 3.701 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.919 2.028 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.203 2.640 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.205 4.309 5.236 1.00 0.00 H new ATOM 265 N VAL A 21 -5.370 1.104 1.685 1.00 0.00 N ATOM 266 CA VAL A 21 -6.012 0.415 0.572 1.00 0.00 C ATOM 267 C VAL A 21 -6.942 -0.684 1.069 1.00 0.00 C ATOM 268 O VAL A 21 -6.801 -1.171 2.191 1.00 0.00 O ATOM 269 CB VAL A 21 -4.971 -0.199 -0.383 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.043 -1.137 0.371 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.663 -0.926 -1.527 1.00 0.00 C ATOM 0 H VAL A 21 -5.064 0.490 2.440 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.594 1.161 0.031 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.370 0.606 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.315 -1.561 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.522 -0.583 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.626 -1.940 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.913 -1.354 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.289 -1.723 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.283 -0.223 -2.083 1.00 0.00 H new ATOM 281 N SER A 22 -7.893 -1.074 0.226 1.00 0.00 N ATOM 282 CA SER A 22 -8.849 -2.116 0.580 1.00 0.00 C ATOM 283 C SER A 22 -8.362 -3.484 0.110 1.00 0.00 C ATOM 284 O SER A 22 -8.299 -3.753 -1.089 1.00 0.00 O ATOM 285 CB SER A 22 -10.218 -1.811 -0.032 1.00 0.00 C ATOM 286 OG SER A 22 -11.088 -2.924 0.085 1.00 0.00 O ATOM 0 H SER A 22 -8.022 -0.684 -0.707 1.00 0.00 H new ATOM 0 HA SER A 22 -8.941 -2.136 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.658 -0.947 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.099 -1.547 -1.083 1.00 0.00 H new ATOM 0 HG SER A 22 -11.956 -2.704 -0.312 1.00 0.00 H new ATOM 292 N ILE A 23 -8.021 -4.343 1.065 1.00 0.00 N ATOM 293 CA ILE A 23 -7.541 -5.683 0.750 1.00 0.00 C ATOM 294 C ILE A 23 -7.809 -6.647 1.900 1.00 0.00 C ATOM 295 O ILE A 23 -7.590 -6.332 3.071 1.00 0.00 O ATOM 296 CB ILE A 23 -6.034 -5.681 0.437 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.739 -4.770 -0.758 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.549 -7.096 0.161 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.269 -4.678 -1.099 1.00 0.00 C ATOM 0 H ILE A 23 -8.068 -4.135 2.062 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.087 -6.015 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.499 -5.296 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.283 -5.138 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.117 -3.770 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.482 -7.078 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.729 -7.720 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.088 -7.505 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.135 -4.016 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.721 -4.281 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.890 -5.670 -1.344 1.00 0.00 H new ATOM 311 N PRO A 24 -8.292 -7.851 1.562 1.00 0.00 N ATOM 312 CA PRO A 24 -8.598 -8.888 2.553 1.00 0.00 C ATOM 313 C PRO A 24 -7.341 -9.465 3.196 1.00 0.00 C ATOM 314 O PRO A 24 -6.251 -9.384 2.631 1.00 0.00 O ATOM 315 CB PRO A 24 -9.318 -9.961 1.732 1.00 0.00 C ATOM 316 CG PRO A 24 -8.823 -9.770 0.341 1.00 0.00 C ATOM 317 CD PRO A 24 -8.577 -8.295 0.187 1.00 0.00 C ATOM 0 HA PRO A 24 -9.188 -8.498 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.089 -10.961 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.400 -9.842 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.908 -10.338 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.556 -10.121 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.740 -8.095 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.446 -7.784 -0.228 1.00 0.00 H new ATOM 325 N ALA A 25 -7.500 -10.046 4.380 1.00 0.00 N ATOM 326 CA ALA A 25 -6.379 -10.638 5.098 1.00 0.00 C ATOM 327 C ALA A 25 -5.945 -11.950 4.455 1.00 0.00 C ATOM 328 O ALA A 25 -4.812 -12.397 4.632 1.00 0.00 O ATOM 329 CB ALA A 25 -6.745 -10.859 6.558 1.00 0.00 C ATOM 0 H ALA A 25 -8.396 -10.119 4.863 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.540 -9.944 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.898 -11.302 7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.998 -9.904 7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.602 -11.530 6.621 1.00 0.00 H new ATOM 335 N LYS A 26 -6.855 -12.565 3.706 1.00 0.00 N ATOM 336 CA LYS A 26 -6.567 -13.827 3.034 1.00 0.00 C ATOM 337 C LYS A 26 -5.480 -13.647 1.980 1.00 0.00 C ATOM 338 O LYS A 26 -4.736 -14.580 1.675 1.00 0.00 O ATOM 339 CB LYS A 26 -7.836 -14.383 2.384 1.00 0.00 C ATOM 340 CG LYS A 26 -8.186 -13.715 1.065 1.00 0.00 C ATOM 341 CD LYS A 26 -9.646 -13.930 0.701 1.00 0.00 C ATOM 342 CE LYS A 26 -9.953 -13.415 -0.696 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.401 -13.539 -1.027 1.00 0.00 N ATOM 0 H LYS A 26 -7.798 -12.210 3.549 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.209 -14.535 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.710 -15.453 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.671 -14.264 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.980 -12.647 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.550 -14.114 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.884 -14.992 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.282 -13.421 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.651 -12.370 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.365 -13.971 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.570 -13.177 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.684 -14.539 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.961 -12.988 -0.346 1.00 0.00 H new ATOM 357 N LEU A 27 -5.392 -12.442 1.427 1.00 0.00 N ATOM 358 CA LEU A 27 -4.394 -12.139 0.407 1.00 0.00 C ATOM 359 C LEU A 27 -3.064 -11.748 1.046 1.00 0.00 C ATOM 360 O LEU A 27 -1.996 -12.102 0.548 1.00 0.00 O ATOM 361 CB LEU A 27 -4.889 -11.011 -0.499 1.00 0.00 C ATOM 362 CG LEU A 27 -6.084 -11.344 -1.392 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.594 -10.092 -2.089 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.708 -12.409 -2.412 1.00 0.00 C ATOM 0 H LEU A 27 -6.000 -11.659 1.668 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.238 -13.036 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.155 -10.159 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.063 -10.694 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.884 -11.737 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.445 -10.348 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.903 -9.360 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.800 -9.669 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.571 -12.633 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.892 -12.044 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.391 -13.314 -1.893 1.00 0.00 H new ATOM 376 N HIS A 28 -3.139 -11.016 2.154 1.00 0.00 N ATOM 377 CA HIS A 28 -1.942 -10.578 2.863 1.00 0.00 C ATOM 378 C HIS A 28 -0.903 -11.694 2.915 1.00 0.00 C ATOM 379 O HIS A 28 0.124 -11.633 2.239 1.00 0.00 O ATOM 380 CB HIS A 28 -2.298 -10.131 4.281 1.00 0.00 C ATOM 381 CG HIS A 28 -3.325 -9.041 4.324 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.787 -8.489 5.500 1.00 0.00 N ATOM 383 CD2 HIS A 28 -3.980 -8.402 3.327 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.682 -7.558 5.225 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.817 -7.485 3.913 1.00 0.00 N ATOM 0 H HIS A 28 -4.016 -10.714 2.579 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.517 -9.734 2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.667 -10.989 4.842 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.394 -9.787 4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.866 -8.580 2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.213 -6.958 5.949 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.442 -6.850 3.416 1.00 0.00 H new ATOM 393 N ASN A 29 -1.177 -12.714 3.722 1.00 0.00 N ATOM 394 CA ASN A 29 -0.266 -13.844 3.863 1.00 0.00 C ATOM 395 C ASN A 29 0.417 -14.162 2.536 1.00 0.00 C ATOM 396 O ASN A 29 1.597 -14.510 2.501 1.00 0.00 O ATOM 397 CB ASN A 29 -1.021 -15.075 4.368 1.00 0.00 C ATOM 398 CG ASN A 29 -0.122 -16.035 5.125 1.00 0.00 C ATOM 399 OD1 ASN A 29 0.192 -17.121 4.639 1.00 0.00 O ATOM 400 ND2 ASN A 29 0.296 -15.634 6.320 1.00 0.00 N ATOM 0 H ASN A 29 -2.023 -12.781 4.288 1.00 0.00 H new ATOM 0 HA ASN A 29 0.500 -13.572 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.836 -14.757 5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.471 -15.594 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.904 -16.236 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.009 -14.724 6.682 1.00 0.00 H new ATOM 407 N SER A 30 -0.335 -14.038 1.446 1.00 0.00 N ATOM 408 CA SER A 30 0.197 -14.314 0.117 1.00 0.00 C ATOM 409 C SER A 30 1.120 -13.191 -0.344 1.00 0.00 C ATOM 410 O SER A 30 2.294 -13.417 -0.640 1.00 0.00 O ATOM 411 CB SER A 30 -0.945 -14.494 -0.885 1.00 0.00 C ATOM 412 OG SER A 30 -1.925 -15.387 -0.386 1.00 0.00 O ATOM 0 H SER A 30 -1.313 -13.749 1.458 1.00 0.00 H new ATOM 0 HA SER A 30 0.775 -15.237 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.403 -13.528 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.550 -14.873 -1.828 1.00 0.00 H new ATOM 0 HG SER A 30 -2.645 -15.484 -1.044 1.00 0.00 H new ATOM 418 N LEU A 31 0.582 -11.978 -0.402 1.00 0.00 N ATOM 419 CA LEU A 31 1.357 -10.817 -0.826 1.00 0.00 C ATOM 420 C LEU A 31 2.656 -10.709 -0.034 1.00 0.00 C ATOM 421 O LEU A 31 3.741 -10.630 -0.610 1.00 0.00 O ATOM 422 CB LEU A 31 0.533 -9.539 -0.654 1.00 0.00 C ATOM 423 CG LEU A 31 -0.315 -9.120 -1.855 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.541 -8.345 -1.398 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.510 -8.290 -2.827 1.00 0.00 C ATOM 0 H LEU A 31 -0.388 -11.773 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 31 1.606 -10.943 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.127 -9.669 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.213 -8.722 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.650 -10.020 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.133 -8.055 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.144 -8.972 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.226 -7.452 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.110 -8.001 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.875 -7.395 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.357 -8.878 -3.180 1.00 0.00 H new ATOM 437 N ILE A 32 2.538 -10.709 1.290 1.00 0.00 N ATOM 438 CA ILE A 32 3.702 -10.614 2.161 1.00 0.00 C ATOM 439 C ILE A 32 4.734 -11.684 1.817 1.00 0.00 C ATOM 440 O ILE A 32 5.874 -11.375 1.475 1.00 0.00 O ATOM 441 CB ILE A 32 3.310 -10.754 3.643 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.250 -9.714 4.013 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.536 -10.607 4.532 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.520 -10.027 5.300 1.00 0.00 C ATOM 0 H ILE A 32 1.647 -10.774 1.782 1.00 0.00 H new ATOM 0 HA ILE A 32 4.136 -9.627 2.000 1.00 0.00 H new ATOM 0 HB ILE A 32 2.889 -11.747 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.726 -8.738 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.525 -9.641 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.242 -10.708 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.261 -11.381 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.984 -9.626 4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.784 -9.248 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.015 -10.988 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.234 -10.071 6.122 1.00 0.00 H new ATOM 456 N GLY A 33 4.323 -12.946 1.910 1.00 0.00 N ATOM 457 CA GLY A 33 5.223 -14.042 1.603 1.00 0.00 C ATOM 458 C GLY A 33 5.550 -14.882 2.822 1.00 0.00 C ATOM 459 O GLY A 33 5.030 -14.638 3.913 1.00 0.00 O ATOM 0 H GLY A 33 3.384 -13.228 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.772 -14.676 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.146 -13.643 1.182 1.00 0.00 H new ATOM 463 N THR A 34 6.413 -15.877 2.641 1.00 0.00 N ATOM 464 CA THR A 34 6.805 -16.757 3.733 1.00 0.00 C ATOM 465 C THR A 34 7.463 -15.972 4.863 1.00 0.00 C ATOM 466 O THR A 34 7.119 -16.141 6.033 1.00 0.00 O ATOM 467 CB THR A 34 7.776 -17.852 3.251 1.00 0.00 C ATOM 468 OG1 THR A 34 8.152 -18.691 4.349 1.00 0.00 O ATOM 469 CG2 THR A 34 9.020 -17.236 2.629 1.00 0.00 C ATOM 0 H THR A 34 6.854 -16.093 1.747 1.00 0.00 H new ATOM 0 HA THR A 34 5.894 -17.227 4.103 1.00 0.00 H new ATOM 0 HB THR A 34 7.268 -18.450 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.768 -19.385 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.691 -18.028 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.734 -16.621 1.776 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.528 -16.617 3.368 1.00 0.00 H new ATOM 477 N LYS A 35 8.411 -15.112 4.506 1.00 0.00 N ATOM 478 CA LYS A 35 9.116 -14.298 5.488 1.00 0.00 C ATOM 479 C LYS A 35 9.079 -12.823 5.100 1.00 0.00 C ATOM 480 O LYS A 35 9.968 -12.053 5.461 1.00 0.00 O ATOM 481 CB LYS A 35 10.568 -14.765 5.620 1.00 0.00 C ATOM 482 CG LYS A 35 11.346 -14.707 4.316 1.00 0.00 C ATOM 483 CD LYS A 35 12.614 -15.540 4.387 1.00 0.00 C ATOM 484 CE LYS A 35 13.783 -14.731 4.928 1.00 0.00 C ATOM 485 NZ LYS A 35 13.823 -14.740 6.417 1.00 0.00 N ATOM 0 H LYS A 35 8.709 -14.961 3.542 1.00 0.00 H new ATOM 0 HA LYS A 35 8.614 -14.416 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.073 -14.148 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.579 -15.788 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.718 -15.066 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.602 -13.672 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.445 -16.408 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.859 -15.916 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.716 -15.136 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.708 -13.703 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.794 -14.553 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.188 -14.004 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.516 -15.670 6.767 1.00 0.00 H new ATOM 499 N GLY A 36 8.042 -12.435 4.364 1.00 0.00 N ATOM 500 CA GLY A 36 7.907 -11.054 3.941 1.00 0.00 C ATOM 501 C GLY A 36 8.982 -10.642 2.955 1.00 0.00 C ATOM 502 O GLY A 36 9.595 -9.584 3.100 1.00 0.00 O ATOM 0 H GLY A 36 7.293 -13.053 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.927 -10.911 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.951 -10.404 4.815 1.00 0.00 H new ATOM 506 N ARG A 37 9.211 -11.479 1.949 1.00 0.00 N ATOM 507 CA ARG A 37 10.221 -11.198 0.937 1.00 0.00 C ATOM 508 C ARG A 37 9.589 -10.567 -0.301 1.00 0.00 C ATOM 509 O ARG A 37 10.258 -9.872 -1.067 1.00 0.00 O ATOM 510 CB ARG A 37 10.956 -12.482 0.548 1.00 0.00 C ATOM 511 CG ARG A 37 10.156 -13.387 -0.375 1.00 0.00 C ATOM 512 CD ARG A 37 11.044 -14.421 -1.049 1.00 0.00 C ATOM 513 NE ARG A 37 11.984 -15.029 -0.112 1.00 0.00 N ATOM 514 CZ ARG A 37 12.791 -16.036 -0.430 1.00 0.00 C ATOM 515 NH1 ARG A 37 12.772 -16.544 -1.654 1.00 0.00 N ATOM 516 NH2 ARG A 37 13.619 -16.536 0.479 1.00 0.00 N ATOM 0 H ARG A 37 8.711 -12.357 1.813 1.00 0.00 H new ATOM 0 HA ARG A 37 10.936 -10.492 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.895 -12.219 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.210 -13.034 1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.376 -13.892 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.657 -12.785 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.422 -15.198 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.596 -13.950 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 37 12.024 -14.661 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.137 -16.162 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.393 -17.317 -1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.636 -16.147 1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.238 -17.309 0.235 1.00 0.00 H new ATOM 530 N LEU A 38 8.297 -10.814 -0.490 1.00 0.00 N ATOM 531 CA LEU A 38 7.575 -10.270 -1.635 1.00 0.00 C ATOM 532 C LEU A 38 7.208 -8.807 -1.403 1.00 0.00 C ATOM 533 O LEU A 38 7.101 -8.028 -2.349 1.00 0.00 O ATOM 534 CB LEU A 38 6.310 -11.089 -1.899 1.00 0.00 C ATOM 535 CG LEU A 38 6.464 -12.271 -2.857 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.225 -13.153 -2.819 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.728 -11.780 -4.273 1.00 0.00 C ATOM 0 H LEU A 38 7.729 -11.387 0.134 1.00 0.00 H new ATOM 0 HA LEU A 38 8.227 -10.328 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.939 -11.466 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.546 -10.422 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 38 7.319 -12.866 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.352 -13.989 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.080 -13.534 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.353 -12.569 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.835 -12.635 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.894 -11.162 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.645 -11.191 -4.289 1.00 0.00 H new ATOM 549 N ILE A 39 7.019 -8.444 -0.140 1.00 0.00 N ATOM 550 CA ILE A 39 6.668 -7.075 0.217 1.00 0.00 C ATOM 551 C ILE A 39 7.916 -6.224 0.426 1.00 0.00 C ATOM 552 O ILE A 39 7.999 -5.096 -0.059 1.00 0.00 O ATOM 553 CB ILE A 39 5.808 -7.028 1.494 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.361 -7.407 1.174 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.872 -5.645 2.125 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.597 -6.322 0.449 1.00 0.00 C ATOM 0 H ILE A 39 7.103 -9.079 0.654 1.00 0.00 H new ATOM 0 HA ILE A 39 6.091 -6.671 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 39 6.204 -7.750 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.357 -8.311 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.843 -7.646 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.259 -5.628 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.905 -5.410 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.498 -4.905 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.579 -6.661 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.569 -5.423 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.091 -6.099 -0.497 1.00 0.00 H new ATOM 568 N ARG A 40 8.885 -6.773 1.150 1.00 0.00 N ATOM 569 CA ARG A 40 10.130 -6.065 1.423 1.00 0.00 C ATOM 570 C ARG A 40 10.759 -5.553 0.132 1.00 0.00 C ATOM 571 O ARG A 40 11.279 -4.438 0.083 1.00 0.00 O ATOM 572 CB ARG A 40 11.114 -6.982 2.153 1.00 0.00 C ATOM 573 CG ARG A 40 11.941 -7.852 1.221 1.00 0.00 C ATOM 574 CD ARG A 40 12.933 -8.708 1.992 1.00 0.00 C ATOM 575 NE ARG A 40 13.640 -9.644 1.122 1.00 0.00 N ATOM 576 CZ ARG A 40 14.661 -10.393 1.525 1.00 0.00 C ATOM 577 NH1 ARG A 40 15.092 -10.316 2.776 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.253 -11.222 0.674 1.00 0.00 N ATOM 0 H ARG A 40 8.832 -7.706 1.558 1.00 0.00 H new ATOM 0 HA ARG A 40 9.900 -5.210 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.785 -6.373 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.560 -7.623 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.280 -8.494 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.477 -7.221 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.655 -8.063 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.406 -9.262 2.769 1.00 0.00 H new ATOM 0 HE ARG A 40 13.334 -9.727 0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.640 -9.680 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.876 -10.892 3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.924 -11.284 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.037 -11.797 0.984 1.00 0.00 H new ATOM 592 N SER A 41 10.706 -6.373 -0.913 1.00 0.00 N ATOM 593 CA SER A 41 11.274 -6.005 -2.204 1.00 0.00 C ATOM 594 C SER A 41 10.601 -4.752 -2.755 1.00 0.00 C ATOM 595 O SER A 41 11.239 -3.711 -2.918 1.00 0.00 O ATOM 596 CB SER A 41 11.124 -7.157 -3.199 1.00 0.00 C ATOM 597 OG SER A 41 11.636 -6.803 -4.472 1.00 0.00 O ATOM 0 H SER A 41 10.275 -7.297 -0.890 1.00 0.00 H new ATOM 0 HA SER A 41 12.334 -5.795 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.649 -8.036 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.072 -7.429 -3.290 1.00 0.00 H new ATOM 0 HG SER A 41 11.530 -7.557 -5.089 1.00 0.00 H new ATOM 603 N ILE A 42 9.308 -4.859 -3.042 1.00 0.00 N ATOM 604 CA ILE A 42 8.548 -3.735 -3.575 1.00 0.00 C ATOM 605 C ILE A 42 8.912 -2.438 -2.860 1.00 0.00 C ATOM 606 O ILE A 42 9.151 -1.413 -3.499 1.00 0.00 O ATOM 607 CB ILE A 42 7.031 -3.971 -3.446 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.604 -5.164 -4.304 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.265 -2.719 -3.851 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.158 -5.563 -4.105 1.00 0.00 C ATOM 0 H ILE A 42 8.765 -5.713 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 42 8.806 -3.650 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 42 6.799 -4.195 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.765 -4.922 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.243 -6.016 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.195 -2.900 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.552 -1.891 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.499 -2.468 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.924 -6.415 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.996 -5.836 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.510 -4.726 -4.365 1.00 0.00 H new ATOM 622 N MET A 43 8.953 -2.491 -1.533 1.00 0.00 N ATOM 623 CA MET A 43 9.292 -1.320 -0.732 1.00 0.00 C ATOM 624 C MET A 43 10.685 -0.807 -1.081 1.00 0.00 C ATOM 625 O MET A 43 10.925 0.401 -1.095 1.00 0.00 O ATOM 626 CB MET A 43 9.218 -1.657 0.758 1.00 0.00 C ATOM 627 CG MET A 43 7.841 -2.113 1.211 1.00 0.00 C ATOM 628 SD MET A 43 7.599 -1.931 2.989 1.00 0.00 S ATOM 629 CE MET A 43 8.925 -2.958 3.618 1.00 0.00 C ATOM 0 H MET A 43 8.756 -3.331 -0.990 1.00 0.00 H new ATOM 0 HA MET A 43 8.569 -0.536 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.943 -2.440 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.509 -0.779 1.335 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.080 -1.537 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.699 -3.158 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.009 -2.823 4.696 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.710 -4.004 3.399 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.863 -2.673 3.142 1.00 0.00 H new ATOM 639 N GLU A 44 11.598 -1.730 -1.363 1.00 0.00 N ATOM 640 CA GLU A 44 12.967 -1.369 -1.711 1.00 0.00 C ATOM 641 C GLU A 44 13.033 -0.778 -3.116 1.00 0.00 C ATOM 642 O GLU A 44 13.469 0.359 -3.302 1.00 0.00 O ATOM 643 CB GLU A 44 13.880 -2.594 -1.618 1.00 0.00 C ATOM 644 CG GLU A 44 15.339 -2.247 -1.374 1.00 0.00 C ATOM 645 CD GLU A 44 15.606 -1.821 0.056 1.00 0.00 C ATOM 646 OE1 GLU A 44 14.642 -1.432 0.748 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.778 -1.875 0.483 1.00 0.00 O ATOM 0 H GLU A 44 11.415 -2.733 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 44 13.309 -0.615 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.529 -3.238 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.801 -3.167 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.959 -3.111 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.636 -1.445 -2.050 1.00 0.00 H new ATOM 654 N GLU A 45 12.597 -1.556 -4.101 1.00 0.00 N ATOM 655 CA GLU A 45 12.609 -1.110 -5.489 1.00 0.00 C ATOM 656 C GLU A 45 11.825 0.191 -5.649 1.00 0.00 C ATOM 657 O GLU A 45 12.191 1.054 -6.447 1.00 0.00 O ATOM 658 CB GLU A 45 12.018 -2.188 -6.400 1.00 0.00 C ATOM 659 CG GLU A 45 10.622 -2.631 -5.994 1.00 0.00 C ATOM 660 CD GLU A 45 9.999 -3.585 -6.994 1.00 0.00 C ATOM 661 OE1 GLU A 45 9.809 -3.182 -8.160 1.00 0.00 O ATOM 662 OE2 GLU A 45 9.701 -4.735 -6.610 1.00 0.00 O ATOM 0 H GLU A 45 12.231 -2.498 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 45 13.645 -0.929 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.987 -1.811 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.679 -3.054 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.667 -3.113 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.983 -1.754 -5.887 1.00 0.00 H new ATOM 669 N CYS A 46 10.747 0.322 -4.885 1.00 0.00 N ATOM 670 CA CYS A 46 9.911 1.516 -4.941 1.00 0.00 C ATOM 671 C CYS A 46 10.686 2.745 -4.480 1.00 0.00 C ATOM 672 O CYS A 46 10.707 3.771 -5.159 1.00 0.00 O ATOM 673 CB CYS A 46 8.662 1.331 -4.077 1.00 0.00 C ATOM 674 SG CYS A 46 7.459 2.672 -4.221 1.00 0.00 S ATOM 0 H CYS A 46 10.431 -0.383 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 46 9.608 1.668 -5.977 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.179 0.393 -4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.965 1.240 -3.034 1.00 0.00 H new ATOM 0 HG CYS A 46 6.962 2.937 -3.049 1.00 0.00 H new ATOM 680 N GLY A 47 11.322 2.636 -3.317 1.00 0.00 N ATOM 681 CA GLY A 47 12.089 3.746 -2.783 1.00 0.00 C ATOM 682 C GLY A 47 12.471 3.541 -1.331 1.00 0.00 C ATOM 683 O GLY A 47 13.569 3.910 -0.913 1.00 0.00 O ATOM 0 H GLY A 47 11.319 1.798 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.993 3.879 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.508 4.663 -2.877 1.00 0.00 H new ATOM 687 N GLY A 48 11.563 2.951 -0.558 1.00 0.00 N ATOM 688 CA GLY A 48 11.830 2.710 0.848 1.00 0.00 C ATOM 689 C GLY A 48 10.622 2.979 1.722 1.00 0.00 C ATOM 690 O GLY A 48 10.755 3.440 2.855 1.00 0.00 O ATOM 0 H GLY A 48 10.648 2.636 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.149 1.676 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.657 3.343 1.171 1.00 0.00 H new ATOM 694 N VAL A 49 9.436 2.693 1.193 1.00 0.00 N ATOM 695 CA VAL A 49 8.197 2.908 1.932 1.00 0.00 C ATOM 696 C VAL A 49 7.948 1.779 2.925 1.00 0.00 C ATOM 697 O VAL A 49 8.536 0.702 2.818 1.00 0.00 O ATOM 698 CB VAL A 49 6.989 3.018 0.982 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.208 4.128 -0.033 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.736 1.690 0.287 1.00 0.00 C ATOM 0 H VAL A 49 9.307 2.312 0.256 1.00 0.00 H new ATOM 0 HA VAL A 49 8.310 3.847 2.474 1.00 0.00 H new ATOM 0 HB VAL A 49 6.106 3.267 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.345 4.191 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.336 5.077 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.101 3.913 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.879 1.786 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.616 1.408 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.531 0.922 1.033 1.00 0.00 H new ATOM 710 N HIS A 50 7.071 2.031 3.892 1.00 0.00 N ATOM 711 CA HIS A 50 6.742 1.035 4.906 1.00 0.00 C ATOM 712 C HIS A 50 5.272 0.636 4.818 1.00 0.00 C ATOM 713 O HIS A 50 4.387 1.492 4.794 1.00 0.00 O ATOM 714 CB HIS A 50 7.054 1.575 6.302 1.00 0.00 C ATOM 715 CG HIS A 50 8.445 2.112 6.440 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.198 2.849 5.589 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.224 1.908 7.559 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.404 3.075 6.205 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.394 2.497 7.393 1.00 0.00 N flip ATOM 0 H HIS A 50 6.575 2.917 3.995 1.00 0.00 H new ATOM 0 HA HIS A 50 7.352 0.150 4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.343 2.365 6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.907 0.779 7.032 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.924 1.353 8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.227 3.635 5.786 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.160 2.504 8.067 1.00 0.00 H new ATOM 727 N ILE A 51 5.020 -0.668 4.770 1.00 0.00 N ATOM 728 CA ILE A 51 3.657 -1.179 4.685 1.00 0.00 C ATOM 729 C ILE A 51 3.274 -1.934 5.954 1.00 0.00 C ATOM 730 O ILE A 51 4.034 -2.769 6.446 1.00 0.00 O ATOM 731 CB ILE A 51 3.481 -2.112 3.473 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.919 -1.404 2.189 1.00 0.00 C ATOM 733 CG2 ILE A 51 2.035 -2.571 3.365 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.186 -2.349 1.039 1.00 0.00 C ATOM 0 H ILE A 51 5.741 -1.389 4.788 1.00 0.00 H new ATOM 0 HA ILE A 51 3.002 -0.316 4.567 1.00 0.00 H new ATOM 0 HB ILE A 51 4.111 -2.990 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.146 -0.694 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.821 -0.827 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.926 -3.230 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.755 -3.109 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.386 -1.704 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.492 -1.778 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.980 -3.043 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.279 -2.908 0.809 1.00 0.00 H new ATOM 746 N HIS A 52 2.089 -1.636 6.478 1.00 0.00 N ATOM 747 CA HIS A 52 1.603 -2.288 7.688 1.00 0.00 C ATOM 748 C HIS A 52 0.446 -3.230 7.370 1.00 0.00 C ATOM 749 O HIS A 52 -0.509 -2.850 6.692 1.00 0.00 O ATOM 750 CB HIS A 52 1.158 -1.244 8.713 1.00 0.00 C ATOM 751 CG HIS A 52 2.261 -0.332 9.157 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.613 -0.165 10.479 1.00 0.00 N ATOM 753 CD2 HIS A 52 3.092 0.463 8.444 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.612 0.695 10.561 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.923 1.090 9.340 1.00 0.00 N ATOM 0 H HIS A 52 1.448 -0.947 6.083 1.00 0.00 H new ATOM 0 HA HIS A 52 2.421 -2.873 8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.354 -0.646 8.285 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.747 -1.754 9.584 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.100 0.582 7.371 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.093 1.020 11.472 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.660 1.753 9.101 1.00 0.00 H new ATOM 763 N PHE A 53 0.539 -4.461 7.862 1.00 0.00 N ATOM 764 CA PHE A 53 -0.499 -5.459 7.629 1.00 0.00 C ATOM 765 C PHE A 53 -1.083 -5.954 8.949 1.00 0.00 C ATOM 766 O PHE A 53 -0.373 -6.452 9.823 1.00 0.00 O ATOM 767 CB PHE A 53 0.066 -6.637 6.834 1.00 0.00 C ATOM 768 CG PHE A 53 0.037 -6.425 5.347 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.101 -6.721 4.614 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.147 -5.930 4.681 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.132 -6.528 3.247 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.122 -5.735 3.313 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.018 -6.033 2.595 1.00 0.00 C ATOM 0 H PHE A 53 1.323 -4.792 8.425 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.296 -4.990 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.094 -6.817 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.503 -7.535 7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.975 -7.107 5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.042 -5.694 5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.025 -6.763 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.994 -5.350 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.040 -5.880 1.526 1.00 0.00 H new ATOM 783 N PRO A 54 -2.409 -5.818 9.097 1.00 0.00 N ATOM 784 CA PRO A 54 -3.118 -6.246 10.307 1.00 0.00 C ATOM 785 C PRO A 54 -3.161 -7.763 10.447 1.00 0.00 C ATOM 786 O PRO A 54 -3.170 -8.489 9.452 1.00 0.00 O ATOM 787 CB PRO A 54 -4.529 -5.687 10.106 1.00 0.00 C ATOM 788 CG PRO A 54 -4.683 -5.568 8.629 1.00 0.00 C ATOM 789 CD PRO A 54 -3.318 -5.234 8.096 1.00 0.00 C ATOM 0 HA PRO A 54 -2.629 -5.891 11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.282 -6.351 10.530 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.645 -4.720 10.595 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.053 -6.499 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.403 -4.791 8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.156 -5.664 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.175 -4.157 8.003 1.00 0.00 H new ATOM 797 N VAL A 55 -3.188 -8.238 11.688 1.00 0.00 N ATOM 798 CA VAL A 55 -3.232 -9.670 11.958 1.00 0.00 C ATOM 799 C VAL A 55 -4.616 -10.242 11.671 1.00 0.00 C ATOM 800 O VAL A 55 -5.630 -9.659 12.053 1.00 0.00 O ATOM 801 CB VAL A 55 -2.855 -9.976 13.420 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.932 -11.472 13.689 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.467 -9.440 13.737 1.00 0.00 C ATOM 0 H VAL A 55 -3.180 -7.652 12.523 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.504 -10.140 11.296 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.570 -9.476 14.073 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.662 -11.669 14.727 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.947 -11.823 13.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.241 -11.996 13.029 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.218 -9.665 14.774 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.736 -9.909 13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.451 -8.361 13.586 1.00 0.00 H new ATOM 813 N GLU A 56 -4.648 -11.386 10.996 1.00 0.00 N ATOM 814 CA GLU A 56 -5.909 -12.037 10.658 1.00 0.00 C ATOM 815 C GLU A 56 -6.837 -12.088 11.867 1.00 0.00 C ATOM 816 O GLU A 56 -8.015 -11.746 11.775 1.00 0.00 O ATOM 817 CB GLU A 56 -5.653 -13.452 10.135 1.00 0.00 C ATOM 818 CG GLU A 56 -4.847 -14.317 11.090 1.00 0.00 C ATOM 819 CD GLU A 56 -4.538 -15.686 10.517 1.00 0.00 C ATOM 820 OE1 GLU A 56 -4.373 -15.791 9.284 1.00 0.00 O ATOM 821 OE2 GLU A 56 -4.461 -16.654 11.303 1.00 0.00 O ATOM 0 H GLU A 56 -3.817 -11.881 10.673 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.393 -11.451 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.610 -13.936 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.126 -13.389 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.913 -13.810 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.399 -14.434 12.023 1.00 0.00 H new ATOM 828 N GLY A 57 -6.296 -12.520 13.002 1.00 0.00 N ATOM 829 CA GLY A 57 -7.089 -12.610 14.215 1.00 0.00 C ATOM 830 C GLY A 57 -7.898 -11.355 14.472 1.00 0.00 C ATOM 831 O GLY A 57 -9.097 -11.426 14.743 1.00 0.00 O ATOM 0 H GLY A 57 -5.323 -12.809 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.762 -13.464 14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.430 -12.794 15.064 1.00 0.00 H new ATOM 835 N SER A 58 -7.242 -10.202 14.391 1.00 0.00 N ATOM 836 CA SER A 58 -7.907 -8.925 14.623 1.00 0.00 C ATOM 837 C SER A 58 -9.153 -8.797 13.754 1.00 0.00 C ATOM 838 O SER A 58 -10.249 -8.541 14.253 1.00 0.00 O ATOM 839 CB SER A 58 -6.949 -7.767 14.335 1.00 0.00 C ATOM 840 OG SER A 58 -7.465 -6.544 14.828 1.00 0.00 O ATOM 0 H SER A 58 -6.250 -10.126 14.166 1.00 0.00 H new ATOM 0 HA SER A 58 -8.209 -8.885 15.670 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.981 -7.969 14.794 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.782 -7.688 13.261 1.00 0.00 H new ATOM 0 HG SER A 58 -6.834 -5.820 14.633 1.00 0.00 H new ATOM 846 N GLY A 59 -8.980 -8.976 12.448 1.00 0.00 N ATOM 847 CA GLY A 59 -10.098 -8.876 11.529 1.00 0.00 C ATOM 848 C GLY A 59 -10.151 -7.535 10.824 1.00 0.00 C ATOM 849 O GLY A 59 -11.220 -6.941 10.685 1.00 0.00 O ATOM 0 H GLY A 59 -8.084 -9.189 12.010 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.026 -9.671 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.028 -9.033 12.075 1.00 0.00 H new ATOM 853 N SER A 60 -8.994 -7.056 10.379 1.00 0.00 N ATOM 854 CA SER A 60 -8.911 -5.774 9.689 1.00 0.00 C ATOM 855 C SER A 60 -8.358 -5.950 8.279 1.00 0.00 C ATOM 856 O SER A 60 -7.209 -6.355 8.097 1.00 0.00 O ATOM 857 CB SER A 60 -8.032 -4.802 10.478 1.00 0.00 C ATOM 858 OG SER A 60 -7.978 -3.534 9.846 1.00 0.00 O ATOM 0 H SER A 60 -8.101 -7.537 10.484 1.00 0.00 H new ATOM 0 HA SER A 60 -9.918 -5.363 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.424 -4.691 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.025 -5.209 10.569 1.00 0.00 H new ATOM 0 HG SER A 60 -7.411 -2.931 10.371 1.00 0.00 H new ATOM 864 N ASP A 61 -9.182 -5.643 7.283 1.00 0.00 N ATOM 865 CA ASP A 61 -8.776 -5.766 5.889 1.00 0.00 C ATOM 866 C ASP A 61 -8.303 -4.423 5.340 1.00 0.00 C ATOM 867 O ASP A 61 -8.560 -4.088 4.183 1.00 0.00 O ATOM 868 CB ASP A 61 -9.935 -6.297 5.042 1.00 0.00 C ATOM 869 CG ASP A 61 -10.512 -7.585 5.596 1.00 0.00 C ATOM 870 OD1 ASP A 61 -9.733 -8.410 6.117 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.745 -7.769 5.508 1.00 0.00 O ATOM 0 H ASP A 61 -10.136 -5.307 7.416 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.947 -6.472 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.720 -5.542 4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.589 -6.466 4.022 1.00 0.00 H new ATOM 876 N THR A 62 -7.611 -3.658 6.177 1.00 0.00 N ATOM 877 CA THR A 62 -7.105 -2.351 5.778 1.00 0.00 C ATOM 878 C THR A 62 -5.584 -2.300 5.868 1.00 0.00 C ATOM 879 O THR A 62 -5.006 -2.529 6.931 1.00 0.00 O ATOM 880 CB THR A 62 -7.697 -1.228 6.650 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.120 -1.191 6.501 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.108 0.122 6.269 1.00 0.00 C ATOM 0 H THR A 62 -7.388 -3.921 7.137 1.00 0.00 H new ATOM 0 HA THR A 62 -7.411 -2.196 4.743 1.00 0.00 H new ATOM 0 HB THR A 62 -7.445 -1.436 7.690 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.489 -0.476 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.542 0.899 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.028 0.101 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.332 0.335 5.224 1.00 0.00 H new ATOM 890 N VAL A 63 -4.939 -1.997 4.746 1.00 0.00 N ATOM 891 CA VAL A 63 -3.484 -1.914 4.699 1.00 0.00 C ATOM 892 C VAL A 63 -3.015 -0.465 4.751 1.00 0.00 C ATOM 893 O VAL A 63 -3.355 0.341 3.885 1.00 0.00 O ATOM 894 CB VAL A 63 -2.924 -2.578 3.427 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.408 -2.462 3.386 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.359 -4.033 3.350 1.00 0.00 C ATOM 0 H VAL A 63 -5.401 -1.805 3.857 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.108 -2.446 5.573 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.327 -2.056 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.031 -2.937 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.123 -1.410 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.982 -2.956 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.954 -4.486 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.988 -4.570 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.447 -4.087 3.327 1.00 0.00 H new ATOM 906 N VAL A 64 -2.230 -0.139 5.773 1.00 0.00 N ATOM 907 CA VAL A 64 -1.711 1.214 5.939 1.00 0.00 C ATOM 908 C VAL A 64 -0.290 1.327 5.399 1.00 0.00 C ATOM 909 O VAL A 64 0.597 0.569 5.792 1.00 0.00 O ATOM 910 CB VAL A 64 -1.721 1.642 7.418 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.290 3.094 7.557 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.099 1.426 8.025 1.00 0.00 C ATOM 0 H VAL A 64 -1.939 -0.794 6.499 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.366 1.876 5.373 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.008 1.023 7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.303 3.378 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.281 3.214 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.976 3.732 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.088 1.734 9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.834 2.019 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.364 0.371 7.960 1.00 0.00 H new ATOM 922 N ILE A 65 -0.080 2.279 4.495 1.00 0.00 N ATOM 923 CA ILE A 65 1.233 2.493 3.902 1.00 0.00 C ATOM 924 C ILE A 65 1.782 3.869 4.262 1.00 0.00 C ATOM 925 O ILE A 65 1.038 4.849 4.320 1.00 0.00 O ATOM 926 CB ILE A 65 1.188 2.355 2.368 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.598 1.001 1.973 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.581 2.525 1.780 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.327 0.869 0.491 1.00 0.00 C ATOM 0 H ILE A 65 -0.803 2.914 4.158 1.00 0.00 H new ATOM 0 HA ILE A 65 1.891 1.725 4.308 1.00 0.00 H new ATOM 0 HB ILE A 65 0.547 3.140 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.284 0.211 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.332 0.846 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.533 2.425 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.966 3.512 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.243 1.760 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.090 -0.116 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.383 1.636 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.258 0.992 -0.062 1.00 0.00 H new ATOM 941 N ARG A 66 3.088 3.936 4.502 1.00 0.00 N ATOM 942 CA ARG A 66 3.736 5.193 4.855 1.00 0.00 C ATOM 943 C ARG A 66 4.893 5.493 3.906 1.00 0.00 C ATOM 944 O ARG A 66 5.556 4.583 3.412 1.00 0.00 O ATOM 945 CB ARG A 66 4.245 5.141 6.296 1.00 0.00 C ATOM 946 CG ARG A 66 3.218 5.595 7.321 1.00 0.00 C ATOM 947 CD ARG A 66 3.434 4.918 8.665 1.00 0.00 C ATOM 948 NE ARG A 66 4.657 5.377 9.320 1.00 0.00 N ATOM 949 CZ ARG A 66 5.093 4.899 10.480 1.00 0.00 C ATOM 950 NH1 ARG A 66 4.411 3.954 11.110 1.00 0.00 N ATOM 951 NH2 ARG A 66 6.216 5.368 11.011 1.00 0.00 N ATOM 0 H ARG A 66 3.717 3.135 4.458 1.00 0.00 H new ATOM 0 HA ARG A 66 2.999 5.991 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.551 4.121 6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.133 5.767 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.278 6.676 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.215 5.371 6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.580 5.117 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.482 3.838 8.523 1.00 0.00 H new ATOM 0 HE ARG A 66 5.206 6.104 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.548 3.591 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.749 3.589 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.744 6.095 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.551 5.001 11.902 1.00 0.00 H new ATOM 965 N GLY A 67 5.130 6.778 3.657 1.00 0.00 N ATOM 966 CA GLY A 67 6.207 7.175 2.769 1.00 0.00 C ATOM 967 C GLY A 67 5.823 8.341 1.879 1.00 0.00 C ATOM 968 O GLY A 67 4.753 8.934 2.022 1.00 0.00 O ATOM 0 H GLY A 67 4.595 7.550 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.081 7.446 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.493 6.326 2.148 1.00 0.00 H new ATOM 972 N PRO A 68 6.711 8.687 0.935 1.00 0.00 N ATOM 973 CA PRO A 68 6.483 9.794 0.001 1.00 0.00 C ATOM 974 C PRO A 68 5.384 9.482 -1.009 1.00 0.00 C ATOM 975 O PRO A 68 5.469 8.503 -1.751 1.00 0.00 O ATOM 976 CB PRO A 68 7.832 9.945 -0.705 1.00 0.00 C ATOM 977 CG PRO A 68 8.466 8.601 -0.603 1.00 0.00 C ATOM 978 CD PRO A 68 8.007 8.025 0.708 1.00 0.00 C ATOM 0 HA PRO A 68 6.151 10.698 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.703 10.244 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.445 10.709 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.166 7.964 -1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.553 8.679 -0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.901 6.941 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.713 8.238 1.510 1.00 0.00 H new ATOM 986 N SER A 69 4.353 10.321 -1.032 1.00 0.00 N ATOM 987 CA SER A 69 3.235 10.132 -1.949 1.00 0.00 C ATOM 988 C SER A 69 3.731 9.725 -3.334 1.00 0.00 C ATOM 989 O SER A 69 3.061 8.984 -4.053 1.00 0.00 O ATOM 990 CB SER A 69 2.407 11.414 -2.048 1.00 0.00 C ATOM 991 OG SER A 69 3.236 12.540 -2.283 1.00 0.00 O ATOM 0 H SER A 69 4.269 11.138 -0.427 1.00 0.00 H new ATOM 0 HA SER A 69 2.607 9.332 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.680 11.319 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.844 11.559 -1.126 1.00 0.00 H new ATOM 0 HG SER A 69 2.683 13.347 -2.344 1.00 0.00 H new ATOM 997 N SER A 70 4.910 10.217 -3.701 1.00 0.00 N ATOM 998 CA SER A 70 5.496 9.909 -5.000 1.00 0.00 C ATOM 999 C SER A 70 5.760 8.413 -5.136 1.00 0.00 C ATOM 1000 O SER A 70 5.486 7.815 -6.178 1.00 0.00 O ATOM 1001 CB SER A 70 6.799 10.688 -5.194 1.00 0.00 C ATOM 1002 OG SER A 70 7.125 10.803 -6.568 1.00 0.00 O ATOM 0 H SER A 70 5.478 10.831 -3.117 1.00 0.00 H new ATOM 0 HA SER A 70 4.785 10.207 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.701 11.681 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.609 10.185 -4.666 1.00 0.00 H new ATOM 0 HG SER A 70 7.960 11.306 -6.665 1.00 0.00 H new ATOM 1008 N ASP A 71 6.292 7.813 -4.078 1.00 0.00 N ATOM 1009 CA ASP A 71 6.593 6.386 -4.077 1.00 0.00 C ATOM 1010 C ASP A 71 5.386 5.577 -3.610 1.00 0.00 C ATOM 1011 O ASP A 71 5.262 4.393 -3.921 1.00 0.00 O ATOM 1012 CB ASP A 71 7.795 6.097 -3.178 1.00 0.00 C ATOM 1013 CG ASP A 71 8.964 7.020 -3.460 1.00 0.00 C ATOM 1014 OD1 ASP A 71 8.723 8.184 -3.841 1.00 0.00 O ATOM 1015 OD2 ASP A 71 10.121 6.578 -3.297 1.00 0.00 O ATOM 0 H ASP A 71 6.524 8.293 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 71 6.834 6.090 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.498 6.200 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.110 5.063 -3.319 1.00 0.00 H new ATOM 1020 N VAL A 72 4.500 6.225 -2.860 1.00 0.00 N ATOM 1021 CA VAL A 72 3.304 5.566 -2.350 1.00 0.00 C ATOM 1022 C VAL A 72 2.356 5.193 -3.484 1.00 0.00 C ATOM 1023 O VAL A 72 1.744 4.126 -3.469 1.00 0.00 O ATOM 1024 CB VAL A 72 2.556 6.462 -1.345 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.332 5.743 -0.796 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.483 6.887 -0.217 1.00 0.00 C ATOM 0 H VAL A 72 4.588 7.205 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 72 3.634 4.659 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 72 2.219 7.358 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.816 6.391 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.659 5.493 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.643 4.829 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.938 7.519 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.852 6.003 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.325 7.444 -0.628 1.00 0.00 H new ATOM 1036 N GLU A 73 2.240 6.080 -4.467 1.00 0.00 N ATOM 1037 CA GLU A 73 1.366 5.843 -5.611 1.00 0.00 C ATOM 1038 C GLU A 73 1.790 4.589 -6.369 1.00 0.00 C ATOM 1039 O GLU A 73 0.951 3.808 -6.820 1.00 0.00 O ATOM 1040 CB GLU A 73 1.381 7.050 -6.551 1.00 0.00 C ATOM 1041 CG GLU A 73 2.536 7.038 -7.538 1.00 0.00 C ATOM 1042 CD GLU A 73 2.431 8.143 -8.572 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.603 9.058 -8.381 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.177 8.092 -9.572 1.00 0.00 O ATOM 0 H GLU A 73 2.740 6.969 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 73 0.353 5.695 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.442 7.081 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.431 7.962 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.475 7.142 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.566 6.073 -8.044 1.00 0.00 H new ATOM 1051 N LYS A 74 3.098 4.400 -6.505 1.00 0.00 N ATOM 1052 CA LYS A 74 3.636 3.241 -7.207 1.00 0.00 C ATOM 1053 C LYS A 74 3.486 1.977 -6.366 1.00 0.00 C ATOM 1054 O LYS A 74 3.182 0.905 -6.888 1.00 0.00 O ATOM 1055 CB LYS A 74 5.111 3.466 -7.550 1.00 0.00 C ATOM 1056 CG LYS A 74 5.373 4.771 -8.282 1.00 0.00 C ATOM 1057 CD LYS A 74 6.850 4.953 -8.586 1.00 0.00 C ATOM 1058 CE LYS A 74 7.606 5.492 -7.382 1.00 0.00 C ATOM 1059 NZ LYS A 74 9.050 5.700 -7.680 1.00 0.00 N ATOM 0 H LYS A 74 3.806 5.036 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 74 3.070 3.112 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.696 3.451 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.463 2.637 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.804 4.788 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.020 5.606 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.280 3.998 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.968 5.637 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.161 6.436 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.504 4.797 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.530 6.068 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.481 4.795 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.149 6.383 -8.458 1.00 0.00 H new ATOM 1073 N ALA A 75 3.698 2.112 -5.061 1.00 0.00 N ATOM 1074 CA ALA A 75 3.582 0.982 -4.148 1.00 0.00 C ATOM 1075 C ALA A 75 2.148 0.468 -4.089 1.00 0.00 C ATOM 1076 O ALA A 75 1.911 -0.738 -4.015 1.00 0.00 O ATOM 1077 CB ALA A 75 4.063 1.375 -2.759 1.00 0.00 C ATOM 0 H ALA A 75 3.951 2.993 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 75 4.212 0.176 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.971 0.522 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.106 1.686 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.457 2.199 -2.384 1.00 0.00 H new ATOM 1083 N LYS A 76 1.192 1.391 -4.122 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.221 1.032 -4.073 1.00 0.00 C ATOM 1085 C LYS A 76 -0.639 0.294 -5.341 1.00 0.00 C ATOM 1086 O LYS A 76 -1.178 -0.811 -5.280 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.080 2.285 -3.893 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.573 2.016 -3.970 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.375 3.132 -3.325 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.845 2.762 -3.202 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.489 2.597 -4.534 1.00 0.00 N ATOM 0 H LYS A 76 1.370 2.393 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.373 0.369 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.850 2.737 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.811 3.013 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.871 1.909 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.799 1.071 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.969 3.349 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.276 4.042 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.940 1.836 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.368 3.535 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.494 2.362 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.406 3.483 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.017 1.830 -5.055 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.386 0.911 -6.490 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.733 0.312 -7.774 1.00 0.00 C ATOM 1107 C LYS A 77 -0.133 -1.084 -7.903 1.00 0.00 C ATOM 1108 O LYS A 77 -0.703 -1.955 -8.560 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.242 1.198 -8.922 1.00 0.00 C ATOM 1110 CG LYS A 77 1.244 1.060 -9.204 1.00 0.00 C ATOM 1111 CD LYS A 77 1.606 1.623 -10.569 1.00 0.00 C ATOM 1112 CE LYS A 77 2.923 1.055 -11.074 1.00 0.00 C ATOM 1113 NZ LYS A 77 4.085 1.885 -10.649 1.00 0.00 N ATOM 0 H LYS A 77 0.059 1.826 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.818 0.228 -7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.799 0.950 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.464 2.239 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.812 1.580 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.529 0.009 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.813 1.394 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.676 2.709 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.047 0.038 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.899 0.994 -12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.847 1.801 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.792 2.880 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.428 1.554 -9.725 1.00 0.00 H new ATOM 1127 N GLN A 78 1.018 -1.289 -7.271 1.00 0.00 N ATOM 1128 CA GLN A 78 1.693 -2.581 -7.316 1.00 0.00 C ATOM 1129 C GLN A 78 0.986 -3.596 -6.423 1.00 0.00 C ATOM 1130 O GLN A 78 0.809 -4.755 -6.803 1.00 0.00 O ATOM 1131 CB GLN A 78 3.152 -2.432 -6.882 1.00 0.00 C ATOM 1132 CG GLN A 78 4.064 -1.911 -7.981 1.00 0.00 C ATOM 1133 CD GLN A 78 5.509 -2.329 -7.787 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.798 -3.488 -7.491 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.426 -1.383 -7.956 1.00 0.00 N ATOM 0 H GLN A 78 1.502 -0.578 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 78 1.661 -2.944 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.201 -1.755 -6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.522 -3.400 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.710 -2.276 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.005 -0.823 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.141 -0.435 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.415 -1.605 -7.841 1.00 0.00 H new ATOM 1144 N LEU A 79 0.583 -3.154 -5.237 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.104 -4.024 -4.290 1.00 0.00 C ATOM 1146 C LEU A 79 -1.489 -4.405 -4.807 1.00 0.00 C ATOM 1147 O LEU A 79 -1.918 -5.553 -4.676 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.228 -3.335 -2.930 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.233 -4.256 -1.709 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.183 -4.476 -1.200 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.113 -3.678 -0.610 1.00 0.00 C ATOM 0 H LEU A 79 0.720 -2.198 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 79 0.486 -4.934 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.597 -2.631 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.148 -2.751 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.643 -5.221 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.159 -5.134 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.785 -4.934 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.621 -3.519 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.105 -4.346 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.732 -2.701 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.133 -3.573 -0.978 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.181 -3.437 -5.396 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.516 -3.671 -5.936 1.00 0.00 C ATOM 1165 C LEU A 80 -3.478 -4.710 -7.052 1.00 0.00 C ATOM 1166 O LEU A 80 -4.307 -5.619 -7.098 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.112 -2.363 -6.460 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.908 -1.537 -5.451 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -3.988 -0.599 -4.684 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.007 -0.752 -6.152 1.00 0.00 C ATOM 0 H LEU A 80 -1.840 -2.483 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.145 -4.053 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.300 -1.746 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.763 -2.596 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.373 -2.219 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.573 -0.019 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.238 -1.182 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.493 0.077 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.563 -0.170 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.563 -0.080 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.683 -1.443 -6.655 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.508 -4.569 -7.951 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.360 -5.498 -9.066 1.00 0.00 C ATOM 1184 C HIS A 81 -2.113 -6.917 -8.563 1.00 0.00 C ATOM 1185 O HIS A 81 -2.867 -7.839 -8.880 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.209 -5.059 -9.973 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.291 -5.622 -11.358 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.361 -5.402 -12.199 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.425 -6.400 -12.049 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -2.151 -6.021 -13.347 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.983 -6.634 -13.283 1.00 0.00 N ATOM 0 H HIS A 81 -1.814 -3.822 -7.929 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.288 -5.491 -9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.198 -3.971 -10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.265 -5.363 -9.521 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.527 -6.768 -11.696 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.821 -6.025 -14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.563 -7.190 -14.028 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.054 -7.086 -7.779 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.708 -8.394 -7.232 1.00 0.00 C ATOM 1201 C LEU A 82 -1.867 -8.971 -6.426 1.00 0.00 C ATOM 1202 O LEU A 82 -2.357 -10.061 -6.718 1.00 0.00 O ATOM 1203 CB LEU A 82 0.538 -8.286 -6.352 1.00 0.00 C ATOM 1204 CG LEU A 82 1.753 -7.608 -6.987 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.727 -7.146 -5.914 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.439 -8.551 -7.963 1.00 0.00 C ATOM 0 H LEU A 82 -0.420 -6.334 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.500 -9.066 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.273 -7.738 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.828 -9.290 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 82 1.411 -6.733 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.585 -6.666 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.230 -6.435 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.064 -8.005 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.301 -8.052 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.769 -9.445 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.739 -8.832 -8.750 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.300 -8.231 -5.410 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.404 -8.668 -4.564 1.00 0.00 C ATOM 1220 C ALA A 83 -4.441 -9.444 -5.370 1.00 0.00 C ATOM 1221 O ALA A 83 -4.904 -10.501 -4.945 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.051 -7.472 -3.882 1.00 0.00 C ATOM 0 H ALA A 83 -1.903 -7.327 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.002 -9.335 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.874 -7.813 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.311 -6.960 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.432 -6.785 -4.637 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.798 -8.910 -6.534 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.781 -9.554 -7.398 1.00 0.00 C ATOM 1230 C GLU A 84 -5.154 -10.712 -8.168 1.00 0.00 C ATOM 1231 O GLU A 84 -5.669 -11.830 -8.156 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.375 -8.539 -8.376 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.210 -7.462 -7.705 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.565 -7.970 -7.253 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.519 -7.911 -8.057 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.671 -8.428 -6.096 1.00 0.00 O ATOM 0 H GLU A 84 -4.422 -8.035 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.577 -9.949 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.565 -8.066 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.994 -9.066 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.668 -7.071 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.350 -6.632 -8.398 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.038 -10.435 -8.837 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.341 -11.454 -9.614 1.00 0.00 C ATOM 1245 C GLU A 85 -3.259 -12.766 -8.840 1.00 0.00 C ATOM 1246 O GLU A 85 -3.580 -13.832 -9.366 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.935 -10.974 -9.979 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.907 -10.001 -11.145 1.00 0.00 C ATOM 1249 CD GLU A 85 -1.852 -10.701 -12.488 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -0.902 -11.482 -12.711 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -2.756 -10.469 -13.317 1.00 0.00 O ATOM 0 H GLU A 85 -3.598 -9.515 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.906 -11.628 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.486 -10.497 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.317 -11.838 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.793 -9.367 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.042 -9.346 -11.046 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.827 -12.681 -7.587 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.701 -13.860 -6.738 1.00 0.00 C ATOM 1260 C LYS A 86 -3.954 -14.727 -6.823 1.00 0.00 C ATOM 1261 O LYS A 86 -3.873 -15.921 -7.110 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.455 -13.445 -5.286 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.985 -13.252 -4.951 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.374 -12.117 -5.756 1.00 0.00 C ATOM 1265 CE LYS A 86 1.113 -11.970 -5.470 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.369 -11.066 -4.316 1.00 0.00 N ATOM 0 H LYS A 86 -2.558 -11.807 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.851 -14.443 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.990 -12.516 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.874 -14.203 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.878 -13.043 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.441 -14.175 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.525 -12.301 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.886 -11.184 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.542 -12.951 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.616 -11.581 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.029 -10.315 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.473 -10.639 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.783 -11.611 -3.533 1.00 0.00 H new ATOM 1280 N GLN A 87 -5.109 -14.118 -6.574 1.00 0.00 N ATOM 1281 CA GLN A 87 -6.377 -14.835 -6.624 1.00 0.00 C ATOM 1282 C GLN A 87 -6.920 -14.883 -8.048 1.00 0.00 C ATOM 1283 O GLN A 87 -7.782 -14.088 -8.421 1.00 0.00 O ATOM 1284 CB GLN A 87 -7.398 -14.173 -5.697 1.00 0.00 C ATOM 1285 CG GLN A 87 -7.363 -12.654 -5.739 1.00 0.00 C ATOM 1286 CD GLN A 87 -8.520 -12.022 -4.991 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -9.563 -12.647 -4.795 1.00 0.00 O ATOM 1288 NE2 GLN A 87 -8.341 -10.776 -4.568 1.00 0.00 N ATOM 0 H GLN A 87 -5.192 -13.130 -6.336 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.201 -15.857 -6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.397 -14.513 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.216 -14.504 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.424 -12.304 -5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.382 -12.323 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.460 -10.296 -4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.084 -10.299 -4.058 1.00 0.00 H new ATOM 1297 N THR A 88 -6.408 -15.820 -8.840 1.00 0.00 N ATOM 1298 CA THR A 88 -6.840 -15.970 -10.224 1.00 0.00 C ATOM 1299 C THR A 88 -6.880 -17.438 -10.631 1.00 0.00 C ATOM 1300 O THR A 88 -5.852 -18.114 -10.658 1.00 0.00 O ATOM 1301 CB THR A 88 -5.913 -15.207 -11.188 1.00 0.00 C ATOM 1302 OG1 THR A 88 -5.878 -13.818 -10.838 1.00 0.00 O ATOM 1303 CG2 THR A 88 -6.383 -15.360 -12.626 1.00 0.00 C ATOM 0 H THR A 88 -5.694 -16.486 -8.547 1.00 0.00 H new ATOM 0 HA THR A 88 -7.844 -15.550 -10.289 1.00 0.00 H new ATOM 0 HB THR A 88 -4.911 -15.629 -11.103 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.041 -13.620 -10.369 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.712 -14.812 -13.288 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.381 -16.415 -12.899 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.393 -14.962 -12.723 1.00 0.00 H new ATOM 1311 N LYS A 89 -8.075 -17.927 -10.949 1.00 0.00 N ATOM 1312 CA LYS A 89 -8.249 -19.316 -11.357 1.00 0.00 C ATOM 1313 C LYS A 89 -7.928 -19.492 -12.838 1.00 0.00 C ATOM 1314 O LYS A 89 -7.724 -18.515 -13.559 1.00 0.00 O ATOM 1315 CB LYS A 89 -9.682 -19.775 -11.077 1.00 0.00 C ATOM 1316 CG LYS A 89 -9.948 -20.078 -9.613 1.00 0.00 C ATOM 1317 CD LYS A 89 -10.433 -18.846 -8.867 1.00 0.00 C ATOM 1318 CE LYS A 89 -10.141 -18.945 -7.379 1.00 0.00 C ATOM 1319 NZ LYS A 89 -10.082 -17.603 -6.734 1.00 0.00 N ATOM 0 H LYS A 89 -8.937 -17.382 -10.932 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.558 -19.928 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.374 -19.002 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.891 -20.667 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.694 -20.869 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.036 -20.451 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.950 -17.958 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.505 -18.725 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.912 -19.546 -6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.193 -19.462 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.881 -17.714 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.329 -17.038 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.995 -17.119 -6.855 1.00 0.00 H new ATOM 1333 N SER A 90 -7.886 -20.742 -13.286 1.00 0.00 N ATOM 1334 CA SER A 90 -7.588 -21.046 -14.680 1.00 0.00 C ATOM 1335 C SER A 90 -8.670 -20.490 -15.601 1.00 0.00 C ATOM 1336 O SER A 90 -9.788 -20.217 -15.168 1.00 0.00 O ATOM 1337 CB SER A 90 -7.460 -22.558 -14.879 1.00 0.00 C ATOM 1338 OG SER A 90 -6.380 -23.082 -14.125 1.00 0.00 O ATOM 0 H SER A 90 -8.055 -21.562 -12.703 1.00 0.00 H new ATOM 0 HA SER A 90 -6.640 -20.572 -14.934 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.387 -23.047 -14.580 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.310 -22.777 -15.936 1.00 0.00 H new ATOM 0 HG SER A 90 -6.320 -24.050 -14.268 1.00 0.00 H new ATOM 1344 N GLY A 91 -8.326 -20.326 -16.875 1.00 0.00 N ATOM 1345 CA GLY A 91 -9.278 -19.803 -17.838 1.00 0.00 C ATOM 1346 C GLY A 91 -8.646 -18.823 -18.805 1.00 0.00 C ATOM 1347 O GLY A 91 -8.084 -19.204 -19.832 1.00 0.00 O ATOM 0 H GLY A 91 -7.406 -20.546 -17.257 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.715 -20.630 -18.398 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.093 -19.311 -17.308 1.00 0.00 H new ATOM 1351 N PRO A 92 -8.734 -17.524 -18.480 1.00 0.00 N ATOM 1352 CA PRO A 92 -8.172 -16.459 -19.316 1.00 0.00 C ATOM 1353 C PRO A 92 -6.647 -16.458 -19.306 1.00 0.00 C ATOM 1354 O PRO A 92 -6.023 -15.902 -18.403 1.00 0.00 O ATOM 1355 CB PRO A 92 -8.711 -15.179 -18.669 1.00 0.00 C ATOM 1356 CG PRO A 92 -8.970 -15.551 -17.251 1.00 0.00 C ATOM 1357 CD PRO A 92 -9.389 -16.996 -17.271 1.00 0.00 C ATOM 0 HA PRO A 92 -8.450 -16.574 -20.364 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.989 -14.366 -18.739 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.622 -14.840 -19.162 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.077 -15.412 -16.642 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.751 -14.924 -16.820 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.061 -17.522 -16.374 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.473 -17.100 -17.323 1.00 0.00 H new ATOM 1365 N SER A 93 -6.053 -17.085 -20.317 1.00 0.00 N ATOM 1366 CA SER A 93 -4.601 -17.159 -20.423 1.00 0.00 C ATOM 1367 C SER A 93 -4.109 -16.431 -21.671 1.00 0.00 C ATOM 1368 O SER A 93 -4.769 -16.443 -22.709 1.00 0.00 O ATOM 1369 CB SER A 93 -4.145 -18.619 -20.458 1.00 0.00 C ATOM 1370 OG SER A 93 -4.624 -19.276 -21.618 1.00 0.00 O ATOM 0 H SER A 93 -6.555 -17.549 -21.074 1.00 0.00 H new ATOM 0 HA SER A 93 -4.172 -16.672 -19.547 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.056 -18.664 -20.435 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.504 -19.137 -19.569 1.00 0.00 H new ATOM 0 HG SER A 93 -4.317 -20.207 -21.617 1.00 0.00 H new ATOM 1376 N SER A 94 -2.945 -15.799 -21.559 1.00 0.00 N ATOM 1377 CA SER A 94 -2.365 -15.063 -22.677 1.00 0.00 C ATOM 1378 C SER A 94 -0.995 -15.624 -23.044 1.00 0.00 C ATOM 1379 O SER A 94 -0.299 -16.194 -22.205 1.00 0.00 O ATOM 1380 CB SER A 94 -2.245 -13.578 -22.328 1.00 0.00 C ATOM 1381 OG SER A 94 -1.509 -12.880 -23.318 1.00 0.00 O ATOM 0 H SER A 94 -2.385 -15.782 -20.706 1.00 0.00 H new ATOM 0 HA SER A 94 -3.025 -15.175 -23.537 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.239 -13.142 -22.234 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.756 -13.467 -21.360 1.00 0.00 H new ATOM 0 HG SER A 94 -1.448 -11.933 -23.073 1.00 0.00 H new ATOM 1387 N GLY A 95 -0.614 -15.457 -24.307 1.00 0.00 N ATOM 1388 CA GLY A 95 0.672 -15.951 -24.765 1.00 0.00 C ATOM 1389 C GLY A 95 0.604 -16.534 -26.164 1.00 0.00 C ATOM 1390 O GLY A 95 0.232 -15.844 -27.112 1.00 0.00 O ATOM 0 H GLY A 95 -1.172 -14.989 -25.021 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.397 -15.137 -24.748 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.032 -16.713 -24.074 1.00 0.00 H new TER 1394 GLY A 95