USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -0.193 USER MOD Set 1.2: A 102 THR OG1 : rot 73:sc= 0.737 USER MOD Set 2.1: A 67 SER OG : rot 133:sc= -4.78! USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=-4.8,f=-4.8) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -120:sc= -1.5! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -7.28! C(o=-7.3!,f=-14!) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.38 F(o=-2.6!,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.848 X(o=-0.85,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -2.5! C(o=-2.5!,f=-8.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 72:sc= 0.0351 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 89:sc= -0.896! USER MOD Single : A 61 HIS : no HE2:sc= -5.94! C(o=-5.9!,f=-7.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 128:sc= -3.49! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -2.02 USER MOD Single : A 74 THR OG1 : rot -118:sc= 0.218 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -45:sc= -0.468! USER MOD Single : A 86 THR OG1 : rot -21:sc= 0.182 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -120:sc= -8.44! (180deg=-12.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.328 16.261 3.402 1.00 0.00 N ATOM 2 CA GLU A 1 4.365 15.242 2.315 1.00 0.00 C ATOM 3 C GLU A 1 3.514 14.037 2.717 1.00 0.00 C ATOM 4 O GLU A 1 4.009 13.066 3.253 1.00 0.00 O ATOM 5 CB GLU A 1 5.809 14.791 2.088 1.00 0.00 C ATOM 6 CG GLU A 1 5.955 14.234 0.670 1.00 0.00 C ATOM 7 CD GLU A 1 6.663 15.263 -0.213 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.009 16.316 0.298 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.848 14.981 -1.386 1.00 0.00 O ATOM 0 H1 GLU A 1 4.907 17.081 3.129 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.346 16.567 3.558 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.705 15.847 4.279 1.00 0.00 H new ATOM 0 HA GLU A 1 3.970 15.677 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.490 15.630 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.082 14.030 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.523 13.304 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.974 13.999 0.258 1.00 0.00 H new ATOM 18 N THR A 2 2.234 14.091 2.464 1.00 0.00 N ATOM 19 CA THR A 2 1.354 12.947 2.834 1.00 0.00 C ATOM 20 C THR A 2 0.556 12.496 1.608 1.00 0.00 C ATOM 21 O THR A 2 -0.344 13.176 1.157 1.00 0.00 O ATOM 22 CB THR A 2 0.387 13.383 3.938 1.00 0.00 C ATOM 23 OG1 THR A 2 0.656 14.732 4.296 1.00 0.00 O ATOM 24 CG2 THR A 2 0.563 12.482 5.160 1.00 0.00 C ATOM 0 H THR A 2 1.761 14.877 2.018 1.00 0.00 H new ATOM 0 HA THR A 2 1.967 12.120 3.192 1.00 0.00 H new ATOM 0 HB THR A 2 -0.638 13.301 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.037 15.013 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.126 12.794 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.354 11.449 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.587 12.560 5.525 1.00 0.00 H new ATOM 32 N TYR A 3 0.878 11.351 1.068 1.00 0.00 N ATOM 33 CA TYR A 3 0.136 10.855 -0.126 1.00 0.00 C ATOM 34 C TYR A 3 -1.112 10.096 0.333 1.00 0.00 C ATOM 35 O TYR A 3 -1.227 9.713 1.480 1.00 0.00 O ATOM 36 CB TYR A 3 1.036 9.917 -0.933 1.00 0.00 C ATOM 37 CG TYR A 3 1.889 10.726 -1.882 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.142 11.199 -1.471 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.427 11.004 -3.174 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.931 11.948 -2.351 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.216 11.754 -4.055 1.00 0.00 C ATOM 42 CZ TYR A 3 3.469 12.226 -3.644 1.00 0.00 C ATOM 43 OH TYR A 3 4.246 12.965 -4.511 1.00 0.00 O ATOM 0 H TYR A 3 1.622 10.739 1.402 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.159 11.699 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.670 9.338 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.429 9.205 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.499 10.985 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.461 10.640 -3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.897 12.312 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.858 11.968 -5.051 1.00 0.00 H new ATOM 0 HH TYR A 3 3.778 13.065 -5.366 1.00 0.00 H new ATOM 53 N THR A 4 -2.051 9.876 -0.548 1.00 0.00 N ATOM 54 CA THR A 4 -3.285 9.142 -0.147 1.00 0.00 C ATOM 55 C THR A 4 -3.873 8.410 -1.355 1.00 0.00 C ATOM 56 O THR A 4 -4.364 9.020 -2.284 1.00 0.00 O ATOM 57 CB THR A 4 -4.319 10.135 0.393 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.652 11.212 1.037 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.234 9.428 1.392 1.00 0.00 C ATOM 0 H THR A 4 -2.017 10.171 -1.524 1.00 0.00 H new ATOM 0 HA THR A 4 -3.031 8.417 0.626 1.00 0.00 H new ATOM 0 HB THR A 4 -4.916 10.521 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.314 11.848 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.969 10.135 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.747 8.604 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.639 9.039 2.218 1.00 0.00 H new ATOM 67 N VAL A 5 -3.834 7.104 -1.346 1.00 0.00 N ATOM 68 CA VAL A 5 -4.397 6.331 -2.485 1.00 0.00 C ATOM 69 C VAL A 5 -5.735 5.717 -2.066 1.00 0.00 C ATOM 70 O VAL A 5 -5.815 4.554 -1.723 1.00 0.00 O ATOM 71 CB VAL A 5 -3.425 5.218 -2.870 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.223 5.817 -3.601 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.947 4.498 -1.607 1.00 0.00 C ATOM 0 H VAL A 5 -3.435 6.540 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.550 6.992 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.930 4.508 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.530 5.021 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.563 6.328 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.718 6.529 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.253 3.703 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.444 5.209 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.803 4.068 -1.087 1.00 0.00 H new ATOM 83 N LYS A 6 -6.785 6.493 -2.084 1.00 0.00 N ATOM 84 CA LYS A 6 -8.119 5.959 -1.681 1.00 0.00 C ATOM 85 C LYS A 6 -8.489 4.770 -2.570 1.00 0.00 C ATOM 86 O LYS A 6 -8.121 4.710 -3.727 1.00 0.00 O ATOM 87 CB LYS A 6 -9.174 7.057 -1.841 1.00 0.00 C ATOM 88 CG LYS A 6 -9.570 7.593 -0.464 1.00 0.00 C ATOM 89 CD LYS A 6 -10.603 8.708 -0.630 1.00 0.00 C ATOM 90 CE LYS A 6 -9.905 10.067 -0.547 1.00 0.00 C ATOM 91 NZ LYS A 6 -10.570 11.026 -1.474 1.00 0.00 N ATOM 0 H LYS A 6 -6.777 7.475 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.079 5.635 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.781 7.865 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.050 6.661 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.981 6.789 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.691 7.972 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.112 8.607 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.365 8.631 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.944 10.446 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.852 9.963 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.095 11.950 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.511 10.665 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.569 11.133 -1.205 1.00 0.00 H new ATOM 105 N LEU A 7 -9.216 3.822 -2.040 1.00 0.00 N ATOM 106 CA LEU A 7 -9.609 2.644 -2.855 1.00 0.00 C ATOM 107 C LEU A 7 -11.134 2.588 -2.969 1.00 0.00 C ATOM 108 O LEU A 7 -11.833 3.480 -2.530 1.00 0.00 O ATOM 109 CB LEU A 7 -9.106 1.363 -2.184 1.00 0.00 C ATOM 110 CG LEU A 7 -8.990 1.555 -0.669 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.386 1.543 -0.041 1.00 0.00 C ATOM 112 CD2 LEU A 7 -8.161 0.412 -0.080 1.00 0.00 C ATOM 0 H LEU A 7 -9.553 3.816 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.170 2.731 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.789 0.541 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.135 1.088 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.507 2.509 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.301 1.680 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.982 2.352 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.870 0.589 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.075 0.543 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.650 -0.539 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.167 0.416 -0.526 1.00 0.00 H new ATOM 124 N GLY A 8 -11.656 1.542 -3.550 1.00 0.00 N ATOM 125 CA GLY A 8 -13.136 1.422 -3.686 1.00 0.00 C ATOM 126 C GLY A 8 -13.664 2.522 -4.609 1.00 0.00 C ATOM 127 O GLY A 8 -14.037 3.591 -4.167 1.00 0.00 O ATOM 0 H GLY A 8 -11.121 0.765 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.395 0.442 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.608 1.499 -2.706 1.00 0.00 H new ATOM 131 N SER A 9 -13.704 2.266 -5.887 1.00 0.00 N ATOM 132 CA SER A 9 -14.214 3.293 -6.838 1.00 0.00 C ATOM 133 C SER A 9 -15.705 3.519 -6.589 1.00 0.00 C ATOM 134 O SER A 9 -16.251 4.549 -6.931 1.00 0.00 O ATOM 135 CB SER A 9 -14.014 2.800 -8.268 1.00 0.00 C ATOM 136 OG SER A 9 -14.069 1.380 -8.286 1.00 0.00 O ATOM 0 H SER A 9 -13.405 1.389 -6.314 1.00 0.00 H new ATOM 0 HA SER A 9 -13.672 4.227 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.784 3.214 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.054 3.143 -8.653 1.00 0.00 H new ATOM 0 HG SER A 9 -13.222 1.024 -8.627 1.00 0.00 H new ATOM 142 N ASP A 10 -16.361 2.554 -6.003 1.00 0.00 N ATOM 143 CA ASP A 10 -17.823 2.680 -5.724 1.00 0.00 C ATOM 144 C ASP A 10 -18.612 2.298 -6.977 1.00 0.00 C ATOM 145 O ASP A 10 -19.766 2.649 -7.128 1.00 0.00 O ATOM 146 CB ASP A 10 -18.159 4.119 -5.322 1.00 0.00 C ATOM 147 CG ASP A 10 -19.508 4.147 -4.601 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.524 3.901 -3.406 1.00 0.00 O ATOM 149 OD2 ASP A 10 -20.502 4.417 -5.255 1.00 0.00 O ATOM 0 H ASP A 10 -15.943 1.674 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 10 -18.091 2.013 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.380 4.518 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.194 4.756 -6.206 1.00 0.00 H new ATOM 154 N LYS A 11 -18.000 1.577 -7.877 1.00 0.00 N ATOM 155 CA LYS A 11 -18.714 1.167 -9.118 1.00 0.00 C ATOM 156 C LYS A 11 -18.852 -0.357 -9.144 1.00 0.00 C ATOM 157 O LYS A 11 -19.243 -0.937 -10.137 1.00 0.00 O ATOM 158 CB LYS A 11 -17.918 1.627 -10.342 1.00 0.00 C ATOM 159 CG LYS A 11 -18.260 3.085 -10.657 1.00 0.00 C ATOM 160 CD LYS A 11 -17.285 4.008 -9.923 1.00 0.00 C ATOM 161 CE LYS A 11 -17.613 5.466 -10.251 1.00 0.00 C ATOM 162 NZ LYS A 11 -16.517 6.049 -11.076 1.00 0.00 N ATOM 0 H LYS A 11 -17.035 1.254 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.703 1.624 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.849 1.526 -10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.151 0.995 -11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.203 3.259 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.284 3.304 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.352 3.843 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.261 3.780 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.559 5.525 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.734 6.038 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.740 7.040 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.623 6.006 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.422 5.508 -11.959 1.00 0.00 H new ATOM 176 N GLY A 12 -18.534 -1.010 -8.059 1.00 0.00 N ATOM 177 CA GLY A 12 -18.646 -2.496 -8.024 1.00 0.00 C ATOM 178 C GLY A 12 -17.253 -3.118 -8.146 1.00 0.00 C ATOM 179 O GLY A 12 -17.106 -4.321 -8.238 1.00 0.00 O ATOM 0 H GLY A 12 -18.202 -0.579 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.117 -2.814 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.283 -2.842 -8.838 1.00 0.00 H new ATOM 183 N LEU A 13 -16.228 -2.308 -8.152 1.00 0.00 N ATOM 184 CA LEU A 13 -14.848 -2.855 -8.273 1.00 0.00 C ATOM 185 C LEU A 13 -13.928 -2.172 -7.258 1.00 0.00 C ATOM 186 O LEU A 13 -14.167 -1.057 -6.840 1.00 0.00 O ATOM 187 CB LEU A 13 -14.324 -2.597 -9.687 1.00 0.00 C ATOM 188 CG LEU A 13 -14.545 -1.129 -10.055 1.00 0.00 C ATOM 189 CD1 LEU A 13 -13.444 -0.672 -11.015 1.00 0.00 C ATOM 190 CD2 LEU A 13 -15.906 -0.973 -10.736 1.00 0.00 C ATOM 0 H LEU A 13 -16.288 -1.292 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.867 -3.927 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.263 -2.841 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -14.837 -3.243 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 13 -14.517 -0.521 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.601 0.374 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.472 -0.783 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.473 -1.281 -11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -16.064 0.073 -10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.933 -1.582 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -16.693 -1.299 -10.056 1.00 0.00 H new ATOM 202 N LEU A 14 -12.875 -2.834 -6.863 1.00 0.00 N ATOM 203 CA LEU A 14 -11.932 -2.229 -5.879 1.00 0.00 C ATOM 204 C LEU A 14 -10.582 -1.986 -6.560 1.00 0.00 C ATOM 205 O LEU A 14 -9.961 -2.900 -7.066 1.00 0.00 O ATOM 206 CB LEU A 14 -11.745 -3.187 -4.699 1.00 0.00 C ATOM 207 CG LEU A 14 -13.079 -3.370 -3.972 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.934 -4.452 -2.901 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.481 -2.051 -3.310 1.00 0.00 C ATOM 0 H LEU A 14 -12.626 -3.771 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.334 -1.283 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.377 -4.150 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.996 -2.793 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.845 -3.669 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.885 -4.582 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.645 -5.392 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.169 -4.154 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.431 -2.179 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.714 -1.754 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.585 -1.278 -4.072 1.00 0.00 H new ATOM 221 N VAL A 15 -10.124 -0.763 -6.586 1.00 0.00 N ATOM 222 CA VAL A 15 -8.817 -0.474 -7.243 1.00 0.00 C ATOM 223 C VAL A 15 -8.134 0.706 -6.546 1.00 0.00 C ATOM 224 O VAL A 15 -8.780 1.555 -5.965 1.00 0.00 O ATOM 225 CB VAL A 15 -9.053 -0.123 -8.713 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.491 -1.373 -9.479 1.00 0.00 C ATOM 227 CG2 VAL A 15 -10.147 0.944 -8.813 1.00 0.00 C ATOM 0 H VAL A 15 -10.597 0.046 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.178 -1.354 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.128 0.259 -9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.658 -1.118 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.713 -2.133 -9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.415 -1.759 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.316 1.195 -9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.070 0.561 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.835 1.837 -8.272 1.00 0.00 H new ATOM 237 N PHE A 16 -6.831 0.769 -6.606 1.00 0.00 N ATOM 238 CA PHE A 16 -6.109 1.897 -5.953 1.00 0.00 C ATOM 239 C PHE A 16 -6.249 3.151 -6.818 1.00 0.00 C ATOM 240 O PHE A 16 -6.476 3.072 -8.009 1.00 0.00 O ATOM 241 CB PHE A 16 -4.626 1.544 -5.808 1.00 0.00 C ATOM 242 CG PHE A 16 -4.398 0.836 -4.493 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.425 1.557 -3.293 1.00 0.00 C ATOM 244 CD2 PHE A 16 -4.155 -0.543 -4.476 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.210 0.899 -2.075 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.940 -1.200 -3.259 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.967 -0.479 -2.058 1.00 0.00 C ATOM 0 H PHE A 16 -6.236 0.088 -7.079 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.535 2.079 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.311 0.907 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.020 2.449 -5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.612 2.621 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.134 -1.099 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.232 1.455 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.753 -2.264 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.800 -0.987 -1.119 1.00 0.00 H new ATOM 257 N GLU A 17 -6.117 4.309 -6.232 1.00 0.00 N ATOM 258 CA GLU A 17 -6.245 5.560 -7.029 1.00 0.00 C ATOM 259 C GLU A 17 -5.224 6.590 -6.528 1.00 0.00 C ATOM 260 O GLU A 17 -5.362 7.106 -5.437 1.00 0.00 O ATOM 261 CB GLU A 17 -7.658 6.121 -6.861 1.00 0.00 C ATOM 262 CG GLU A 17 -8.676 5.092 -7.357 1.00 0.00 C ATOM 263 CD GLU A 17 -9.697 5.780 -8.265 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.177 6.837 -7.891 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.983 5.237 -9.320 1.00 0.00 O ATOM 0 H GLU A 17 -5.927 4.442 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.058 5.346 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.845 6.358 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.761 7.050 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.168 4.296 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.181 4.628 -6.510 1.00 0.00 H new ATOM 272 N PRO A 18 -4.223 6.856 -7.333 1.00 0.00 N ATOM 273 CA PRO A 18 -4.050 6.234 -8.660 1.00 0.00 C ATOM 274 C PRO A 18 -3.504 4.808 -8.523 1.00 0.00 C ATOM 275 O PRO A 18 -3.307 4.310 -7.432 1.00 0.00 O ATOM 276 CB PRO A 18 -3.028 7.143 -9.347 1.00 0.00 C ATOM 277 CG PRO A 18 -2.266 7.877 -8.224 1.00 0.00 C ATOM 278 CD PRO A 18 -3.160 7.816 -6.977 1.00 0.00 C ATOM 0 HA PRO A 18 -4.984 6.146 -9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.343 6.560 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.524 7.854 -10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.303 7.402 -8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.062 8.910 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.600 7.483 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.574 8.795 -6.736 1.00 0.00 H new ATOM 286 N ALA A 19 -3.257 4.150 -9.623 1.00 0.00 N ATOM 287 CA ALA A 19 -2.723 2.761 -9.560 1.00 0.00 C ATOM 288 C ALA A 19 -1.279 2.796 -9.057 1.00 0.00 C ATOM 289 O ALA A 19 -0.946 2.198 -8.053 1.00 0.00 O ATOM 290 CB ALA A 19 -2.763 2.136 -10.956 1.00 0.00 C ATOM 0 H ALA A 19 -3.403 4.516 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.332 2.166 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.372 1.119 -10.911 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.792 2.114 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.153 2.729 -11.638 1.00 0.00 H new ATOM 296 N LYS A 20 -0.419 3.496 -9.744 1.00 0.00 N ATOM 297 CA LYS A 20 1.002 3.574 -9.303 1.00 0.00 C ATOM 298 C LYS A 20 1.221 4.883 -8.546 1.00 0.00 C ATOM 299 O LYS A 20 0.379 5.760 -8.550 1.00 0.00 O ATOM 300 CB LYS A 20 1.921 3.529 -10.526 1.00 0.00 C ATOM 301 CG LYS A 20 1.571 4.680 -11.471 1.00 0.00 C ATOM 302 CD LYS A 20 1.211 4.119 -12.848 1.00 0.00 C ATOM 303 CE LYS A 20 1.349 5.221 -13.901 1.00 0.00 C ATOM 304 NZ LYS A 20 1.092 4.651 -15.254 1.00 0.00 N ATOM 0 H LYS A 20 -0.639 4.018 -10.592 1.00 0.00 H new ATOM 0 HA LYS A 20 1.230 2.731 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.963 3.605 -10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.811 2.575 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.735 5.252 -11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.415 5.365 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.865 3.283 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.191 3.734 -12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.644 6.026 -13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.349 5.654 -13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.186 5.400 -15.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.781 3.897 -15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.130 4.258 -15.288 1.00 0.00 H new ATOM 318 N LEU A 21 2.340 5.027 -7.892 1.00 0.00 N ATOM 319 CA LEU A 21 2.597 6.283 -7.136 1.00 0.00 C ATOM 320 C LEU A 21 4.098 6.440 -6.880 1.00 0.00 C ATOM 321 O LEU A 21 4.809 5.475 -6.681 1.00 0.00 O ATOM 322 CB LEU A 21 1.859 6.227 -5.797 1.00 0.00 C ATOM 323 CG LEU A 21 1.260 7.599 -5.487 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.006 7.428 -4.629 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.286 8.440 -4.724 1.00 0.00 C ATOM 0 H LEU A 21 3.085 4.332 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 21 2.242 7.132 -7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.071 5.475 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.545 5.930 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 21 0.997 8.099 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.420 8.407 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.725 6.827 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.268 6.928 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.861 9.419 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.547 7.938 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.181 8.563 -5.334 1.00 0.00 H new ATOM 337 N THR A 22 4.582 7.653 -6.876 1.00 0.00 N ATOM 338 CA THR A 22 6.034 7.879 -6.624 1.00 0.00 C ATOM 339 C THR A 22 6.199 8.632 -5.304 1.00 0.00 C ATOM 340 O THR A 22 5.813 9.777 -5.179 1.00 0.00 O ATOM 341 CB THR A 22 6.633 8.707 -7.763 1.00 0.00 C ATOM 342 OG1 THR A 22 6.456 8.017 -8.991 1.00 0.00 O ATOM 343 CG2 THR A 22 8.125 8.925 -7.507 1.00 0.00 C ATOM 0 H THR A 22 4.034 8.498 -7.037 1.00 0.00 H new ATOM 0 HA THR A 22 6.550 6.920 -6.570 1.00 0.00 H new ATOM 0 HB THR A 22 6.131 9.673 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.838 8.547 -9.722 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.551 9.515 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.259 9.455 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.630 7.960 -7.456 1.00 0.00 H new ATOM 351 N ILE A 23 6.764 7.997 -4.316 1.00 0.00 N ATOM 352 CA ILE A 23 6.946 8.674 -3.005 1.00 0.00 C ATOM 353 C ILE A 23 8.427 8.789 -2.678 1.00 0.00 C ATOM 354 O ILE A 23 9.257 8.116 -3.252 1.00 0.00 O ATOM 355 CB ILE A 23 6.266 7.864 -1.902 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.689 6.394 -2.012 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.754 7.976 -2.055 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.349 5.943 -0.705 1.00 0.00 C ATOM 0 H ILE A 23 7.108 7.038 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 23 6.502 9.668 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 23 6.562 8.251 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.820 5.771 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.383 6.267 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.265 7.399 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.457 9.022 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.457 7.587 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.647 4.898 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.229 6.557 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.641 6.053 0.117 1.00 0.00 H new ATOM 370 N LYS A 24 8.760 9.625 -1.740 1.00 0.00 N ATOM 371 CA LYS A 24 10.182 9.769 -1.353 1.00 0.00 C ATOM 372 C LYS A 24 10.525 8.638 -0.379 1.00 0.00 C ATOM 373 O LYS A 24 9.637 7.987 0.135 1.00 0.00 O ATOM 374 CB LYS A 24 10.385 11.132 -0.683 1.00 0.00 C ATOM 375 CG LYS A 24 9.679 12.212 -1.506 1.00 0.00 C ATOM 376 CD LYS A 24 10.537 12.573 -2.720 1.00 0.00 C ATOM 377 CE LYS A 24 11.539 13.662 -2.335 1.00 0.00 C ATOM 378 NZ LYS A 24 12.545 13.820 -3.424 1.00 0.00 N ATOM 0 H LYS A 24 8.106 10.215 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 24 10.832 9.711 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.987 11.114 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.449 11.356 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.702 11.855 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.507 13.097 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.065 11.690 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.903 12.920 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.020 14.605 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.036 13.400 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.227 14.561 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.048 12.921 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.063 14.089 -4.305 1.00 0.00 H new ATOM 392 N PRO A 25 11.794 8.424 -0.156 1.00 0.00 N ATOM 393 CA PRO A 25 12.257 7.361 0.751 1.00 0.00 C ATOM 394 C PRO A 25 12.031 7.770 2.207 1.00 0.00 C ATOM 395 O PRO A 25 12.903 8.315 2.854 1.00 0.00 O ATOM 396 CB PRO A 25 13.747 7.228 0.423 1.00 0.00 C ATOM 397 CG PRO A 25 14.169 8.564 -0.232 1.00 0.00 C ATOM 398 CD PRO A 25 12.880 9.215 -0.769 1.00 0.00 C ATOM 0 HA PRO A 25 11.724 6.419 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.328 7.037 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.923 6.391 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.659 9.214 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.882 8.392 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.816 10.266 -0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.837 9.175 -1.857 1.00 0.00 H new ATOM 406 N GLY A 26 10.858 7.512 2.724 1.00 0.00 N ATOM 407 CA GLY A 26 10.565 7.886 4.137 1.00 0.00 C ATOM 408 C GLY A 26 9.291 8.735 4.188 1.00 0.00 C ATOM 409 O GLY A 26 8.900 9.222 5.230 1.00 0.00 O ATOM 0 H GLY A 26 10.091 7.058 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.441 6.989 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.402 8.442 4.558 1.00 0.00 H new ATOM 413 N ASP A 27 8.640 8.915 3.070 1.00 0.00 N ATOM 414 CA ASP A 27 7.393 9.731 3.055 1.00 0.00 C ATOM 415 C ASP A 27 6.272 8.966 3.757 1.00 0.00 C ATOM 416 O ASP A 27 6.474 7.887 4.279 1.00 0.00 O ATOM 417 CB ASP A 27 6.983 10.014 1.608 1.00 0.00 C ATOM 418 CG ASP A 27 7.751 11.230 1.088 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.464 11.836 1.871 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.611 11.536 -0.084 1.00 0.00 O ATOM 0 H ASP A 27 8.918 8.532 2.167 1.00 0.00 H new ATOM 0 HA ASP A 27 7.573 10.672 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.191 9.145 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.910 10.197 1.552 1.00 0.00 H new ATOM 425 N THR A 28 5.089 9.516 3.774 1.00 0.00 N ATOM 426 CA THR A 28 3.955 8.827 4.439 1.00 0.00 C ATOM 427 C THR A 28 2.845 8.563 3.420 1.00 0.00 C ATOM 428 O THR A 28 2.341 9.470 2.787 1.00 0.00 O ATOM 429 CB THR A 28 3.415 9.709 5.567 1.00 0.00 C ATOM 430 OG1 THR A 28 4.342 10.753 5.834 1.00 0.00 O ATOM 431 CG2 THR A 28 3.216 8.866 6.827 1.00 0.00 C ATOM 0 H THR A 28 4.861 10.417 3.353 1.00 0.00 H new ATOM 0 HA THR A 28 4.299 7.878 4.851 1.00 0.00 H new ATOM 0 HB THR A 28 2.459 10.139 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.997 11.320 6.555 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.831 9.496 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.505 8.066 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.170 8.434 7.130 1.00 0.00 H new ATOM 439 N VAL A 29 2.459 7.328 3.256 1.00 0.00 N ATOM 440 CA VAL A 29 1.384 7.004 2.282 1.00 0.00 C ATOM 441 C VAL A 29 0.135 6.549 3.039 1.00 0.00 C ATOM 442 O VAL A 29 0.222 5.946 4.090 1.00 0.00 O ATOM 443 CB VAL A 29 1.855 5.886 1.349 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.151 6.019 -0.002 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.369 5.992 1.147 1.00 0.00 C ATOM 0 H VAL A 29 2.844 6.528 3.757 1.00 0.00 H new ATOM 0 HA VAL A 29 1.150 7.889 1.691 1.00 0.00 H new ATOM 0 HB VAL A 29 1.614 4.919 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.486 5.223 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.073 5.943 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.391 6.986 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.704 5.196 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.610 6.959 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.872 5.897 2.109 1.00 0.00 H new ATOM 455 N GLU A 30 -1.027 6.836 2.519 1.00 0.00 N ATOM 456 CA GLU A 30 -2.270 6.421 3.216 1.00 0.00 C ATOM 457 C GLU A 30 -3.062 5.445 2.343 1.00 0.00 C ATOM 458 O GLU A 30 -3.140 5.590 1.139 1.00 0.00 O ATOM 459 CB GLU A 30 -3.128 7.653 3.512 1.00 0.00 C ATOM 460 CG GLU A 30 -4.301 7.252 4.410 1.00 0.00 C ATOM 461 CD GLU A 30 -3.811 7.097 5.851 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.203 6.081 6.144 1.00 0.00 O ATOM 463 OE2 GLU A 30 -4.052 7.998 6.638 1.00 0.00 O ATOM 0 H GLU A 30 -1.166 7.339 1.643 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.004 5.927 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.527 8.419 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.498 8.084 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.085 8.007 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.737 6.316 4.060 1.00 0.00 H new ATOM 470 N PHE A 31 -3.651 4.452 2.949 1.00 0.00 N ATOM 471 CA PHE A 31 -4.448 3.453 2.176 1.00 0.00 C ATOM 472 C PHE A 31 -5.630 3.014 3.045 1.00 0.00 C ATOM 473 O PHE A 31 -5.527 2.081 3.812 1.00 0.00 O ATOM 474 CB PHE A 31 -3.577 2.231 1.831 1.00 0.00 C ATOM 475 CG PHE A 31 -2.135 2.482 2.227 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.739 2.330 3.563 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.197 2.872 1.262 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.410 2.566 3.931 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.132 3.107 1.632 1.00 0.00 C ATOM 480 CZ PHE A 31 0.525 2.955 2.966 1.00 0.00 C ATOM 0 H PHE A 31 -3.615 4.287 3.955 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.802 3.898 1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.955 1.349 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.637 2.024 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.460 2.030 4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.500 2.991 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.106 2.448 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.855 3.406 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.551 3.138 3.251 1.00 0.00 H new ATOM 490 N LEU A 32 -6.740 3.700 2.950 1.00 0.00 N ATOM 491 CA LEU A 32 -7.918 3.356 3.799 1.00 0.00 C ATOM 492 C LEU A 32 -8.917 2.489 3.035 1.00 0.00 C ATOM 493 O LEU A 32 -8.721 2.151 1.885 1.00 0.00 O ATOM 494 CB LEU A 32 -8.612 4.651 4.218 1.00 0.00 C ATOM 495 CG LEU A 32 -9.039 5.426 2.970 1.00 0.00 C ATOM 496 CD1 LEU A 32 -10.462 5.953 3.158 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.085 6.602 2.750 1.00 0.00 C ATOM 0 H LEU A 32 -6.881 4.488 2.317 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.569 2.798 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.482 4.427 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.939 5.258 4.824 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.008 4.765 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.766 6.505 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.142 5.116 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.494 6.614 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.388 7.155 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.116 7.263 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.070 6.227 2.616 1.00 0.00 H new ATOM 509 N ASN A 33 -9.990 2.126 3.688 1.00 0.00 N ATOM 510 CA ASN A 33 -11.025 1.274 3.041 1.00 0.00 C ATOM 511 C ASN A 33 -12.109 2.164 2.421 1.00 0.00 C ATOM 512 O ASN A 33 -12.204 3.338 2.721 1.00 0.00 O ATOM 513 CB ASN A 33 -11.629 0.335 4.104 1.00 0.00 C ATOM 514 CG ASN A 33 -12.840 0.963 4.800 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.083 2.148 4.707 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.605 0.199 5.522 1.00 0.00 N ATOM 0 H ASN A 33 -10.193 2.388 4.653 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.580 0.674 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.927 -0.602 3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.869 0.092 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.408 0.596 6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.402 -0.797 5.601 1.00 0.00 H new ATOM 523 N ASN A 34 -12.933 1.618 1.572 1.00 0.00 N ATOM 524 CA ASN A 34 -14.011 2.442 0.956 1.00 0.00 C ATOM 525 C ASN A 34 -15.376 1.911 1.400 1.00 0.00 C ATOM 526 O ASN A 34 -15.966 2.403 2.341 1.00 0.00 O ATOM 527 CB ASN A 34 -13.905 2.376 -0.568 1.00 0.00 C ATOM 528 CG ASN A 34 -15.037 3.193 -1.194 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.842 2.623 -2.049 1.00 0.00 O flip ATOM 530 ND2 ASN A 34 -15.191 4.362 -0.902 1.00 0.00 N flip ATOM 0 H ASN A 34 -12.908 0.641 1.278 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.902 3.478 1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.940 2.764 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.962 1.340 -0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.562 4.808 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.949 4.898 -1.325 1.00 0.00 H new ATOM 537 N LYS A 35 -15.885 0.908 0.734 1.00 0.00 N ATOM 538 CA LYS A 35 -17.210 0.352 1.127 1.00 0.00 C ATOM 539 C LYS A 35 -17.228 -1.157 0.880 1.00 0.00 C ATOM 540 O LYS A 35 -18.238 -1.727 0.520 1.00 0.00 O ATOM 541 CB LYS A 35 -18.313 1.024 0.304 1.00 0.00 C ATOM 542 CG LYS A 35 -18.134 0.679 -1.176 1.00 0.00 C ATOM 543 CD LYS A 35 -19.486 0.286 -1.775 1.00 0.00 C ATOM 544 CE LYS A 35 -19.286 -0.818 -2.816 1.00 0.00 C ATOM 545 NZ LYS A 35 -20.576 -1.083 -3.514 1.00 0.00 N ATOM 0 H LYS A 35 -15.441 0.452 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.383 0.544 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.292 0.691 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.277 2.105 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.721 1.533 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.423 -0.140 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.157 -0.059 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.956 1.154 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.525 -0.519 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.928 -1.727 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.440 -1.833 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.290 -1.386 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.899 -0.215 -3.987 1.00 0.00 H new ATOM 559 N VAL A 36 -16.117 -1.809 1.082 1.00 0.00 N ATOM 560 CA VAL A 36 -16.064 -3.284 0.871 1.00 0.00 C ATOM 561 C VAL A 36 -14.909 -3.872 1.690 1.00 0.00 C ATOM 562 O VAL A 36 -14.001 -4.456 1.140 1.00 0.00 O ATOM 563 CB VAL A 36 -15.838 -3.586 -0.614 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.379 -4.979 -0.944 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.570 -2.547 -1.465 1.00 0.00 C ATOM 0 H VAL A 36 -15.241 -1.383 1.385 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.006 -3.729 1.191 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.770 -3.549 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.217 -5.191 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.860 -5.723 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.446 -5.016 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.409 -2.763 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.637 -2.584 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.187 -1.553 -1.235 1.00 0.00 H new ATOM 575 N PRO A 37 -14.979 -3.695 2.985 1.00 0.00 N ATOM 576 CA PRO A 37 -13.948 -4.198 3.915 1.00 0.00 C ATOM 577 C PRO A 37 -14.126 -5.701 4.157 1.00 0.00 C ATOM 578 O PRO A 37 -15.098 -6.285 3.720 1.00 0.00 O ATOM 579 CB PRO A 37 -14.217 -3.411 5.201 1.00 0.00 C ATOM 580 CG PRO A 37 -15.690 -2.943 5.130 1.00 0.00 C ATOM 581 CD PRO A 37 -16.092 -2.979 3.645 1.00 0.00 C ATOM 0 HA PRO A 37 -12.933 -4.069 3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.050 -4.034 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.543 -2.559 5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.333 -3.595 5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.797 -1.937 5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.040 -3.498 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.214 -1.974 3.241 1.00 0.00 H new ATOM 589 N PRO A 38 -13.191 -6.276 4.873 1.00 0.00 N ATOM 590 CA PRO A 38 -12.012 -5.564 5.402 1.00 0.00 C ATOM 591 C PRO A 38 -10.890 -5.542 4.356 1.00 0.00 C ATOM 592 O PRO A 38 -10.891 -6.318 3.423 1.00 0.00 O ATOM 593 CB PRO A 38 -11.595 -6.422 6.597 1.00 0.00 C ATOM 594 CG PRO A 38 -12.154 -7.843 6.331 1.00 0.00 C ATOM 595 CD PRO A 38 -13.247 -7.698 5.254 1.00 0.00 C ATOM 0 HA PRO A 38 -12.219 -4.526 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.510 -6.444 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.995 -6.015 7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.363 -8.512 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.566 -8.273 7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.054 -8.347 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.229 -7.968 5.644 1.00 0.00 H new ATOM 603 N HIS A 39 -9.929 -4.668 4.509 1.00 0.00 N ATOM 604 CA HIS A 39 -8.811 -4.610 3.521 1.00 0.00 C ATOM 605 C HIS A 39 -7.479 -4.910 4.213 1.00 0.00 C ATOM 606 O HIS A 39 -7.271 -4.572 5.361 1.00 0.00 O ATOM 607 CB HIS A 39 -8.752 -3.213 2.900 1.00 0.00 C ATOM 608 CG HIS A 39 -9.966 -3.002 2.043 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.918 -3.086 0.654 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.272 -2.730 2.365 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.171 -2.867 0.203 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.022 -2.654 1.204 1.00 0.00 N ATOM 0 H HIS A 39 -9.870 -3.994 5.273 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.987 -5.354 2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.709 -2.456 3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.847 -3.106 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.654 -2.596 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.449 -2.865 -0.841 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.023 -2.472 1.131 1.00 0.00 H new ATOM 620 N ASN A 40 -6.570 -5.538 3.515 1.00 0.00 N ATOM 621 CA ASN A 40 -5.247 -5.856 4.122 1.00 0.00 C ATOM 622 C ASN A 40 -4.143 -5.180 3.307 1.00 0.00 C ATOM 623 O ASN A 40 -3.921 -5.503 2.156 1.00 0.00 O ATOM 624 CB ASN A 40 -5.029 -7.371 4.118 1.00 0.00 C ATOM 625 CG ASN A 40 -3.926 -7.731 5.115 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.039 -8.501 4.806 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.943 -7.200 6.308 1.00 0.00 N ATOM 0 H ASN A 40 -6.688 -5.844 2.549 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.221 -5.492 5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.954 -7.883 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.754 -7.707 3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.211 -7.432 6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.688 -6.553 6.568 1.00 0.00 H new ATOM 634 N VAL A 41 -3.452 -4.240 3.892 1.00 0.00 N ATOM 635 CA VAL A 41 -2.366 -3.539 3.150 1.00 0.00 C ATOM 636 C VAL A 41 -1.011 -4.129 3.549 1.00 0.00 C ATOM 637 O VAL A 41 -0.578 -4.005 4.677 1.00 0.00 O ATOM 638 CB VAL A 41 -2.402 -2.046 3.496 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.087 -1.382 3.081 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.562 -1.383 2.750 1.00 0.00 C ATOM 0 H VAL A 41 -3.593 -3.927 4.853 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.511 -3.668 2.077 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.538 -1.929 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.120 -0.321 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.259 -1.853 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.944 -1.498 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.591 -0.321 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.421 -1.506 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.501 -1.850 3.049 1.00 0.00 H new ATOM 650 N VAL A 42 -0.337 -4.769 2.632 1.00 0.00 N ATOM 651 CA VAL A 42 0.988 -5.361 2.968 1.00 0.00 C ATOM 652 C VAL A 42 1.877 -5.388 1.722 1.00 0.00 C ATOM 653 O VAL A 42 1.399 -5.364 0.605 1.00 0.00 O ATOM 654 CB VAL A 42 0.792 -6.788 3.489 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.945 -7.159 4.422 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.528 -6.876 4.258 1.00 0.00 C ATOM 0 H VAL A 42 -0.645 -4.907 1.669 1.00 0.00 H new ATOM 0 HA VAL A 42 1.468 -4.755 3.736 1.00 0.00 H new ATOM 0 HB VAL A 42 0.771 -7.478 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.802 -8.175 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.887 -7.100 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.969 -6.467 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.666 -7.892 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.506 -6.183 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.353 -6.616 3.595 1.00 0.00 H new ATOM 666 N PHE A 43 3.169 -5.439 1.909 1.00 0.00 N ATOM 667 CA PHE A 43 4.096 -5.468 0.741 1.00 0.00 C ATOM 668 C PHE A 43 4.730 -6.857 0.629 1.00 0.00 C ATOM 669 O PHE A 43 5.530 -7.252 1.454 1.00 0.00 O ATOM 670 CB PHE A 43 5.197 -4.422 0.937 1.00 0.00 C ATOM 671 CG PHE A 43 4.619 -3.189 1.574 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.006 -2.209 0.786 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.707 -3.023 2.957 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.479 -1.061 1.388 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.183 -1.877 3.553 1.00 0.00 C ATOM 676 CZ PHE A 43 3.571 -0.898 2.774 1.00 0.00 C ATOM 0 H PHE A 43 3.623 -5.462 2.822 1.00 0.00 H new ATOM 0 HA PHE A 43 3.540 -5.245 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.990 -4.829 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.647 -4.170 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.940 -2.338 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.180 -3.781 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.003 -0.303 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.252 -1.748 4.623 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.167 -0.012 3.241 1.00 0.00 H new ATOM 686 N ASP A 44 4.381 -7.601 -0.385 1.00 0.00 N ATOM 687 CA ASP A 44 4.966 -8.963 -0.546 1.00 0.00 C ATOM 688 C ASP A 44 6.483 -8.894 -0.354 1.00 0.00 C ATOM 689 O ASP A 44 7.090 -7.851 -0.498 1.00 0.00 O ATOM 690 CB ASP A 44 4.654 -9.491 -1.947 1.00 0.00 C ATOM 691 CG ASP A 44 4.730 -11.020 -1.947 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.764 -11.541 -1.563 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.753 -11.642 -2.330 1.00 0.00 O ATOM 0 H ASP A 44 3.717 -7.325 -1.108 1.00 0.00 H new ATOM 0 HA ASP A 44 4.535 -9.632 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.661 -9.166 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.362 -9.081 -2.667 1.00 0.00 H new ATOM 698 N ALA A 45 7.100 -9.999 -0.031 1.00 0.00 N ATOM 699 CA ALA A 45 8.572 -10.000 0.169 1.00 0.00 C ATOM 700 C ALA A 45 9.247 -10.718 -1.002 1.00 0.00 C ATOM 701 O ALA A 45 10.282 -11.337 -0.849 1.00 0.00 O ATOM 702 CB ALA A 45 8.909 -10.725 1.473 1.00 0.00 C ATOM 0 H ALA A 45 6.644 -10.902 0.103 1.00 0.00 H new ATOM 0 HA ALA A 45 8.931 -8.972 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.989 -10.726 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.430 -10.214 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.549 -11.753 1.422 1.00 0.00 H new ATOM 708 N ALA A 46 8.669 -10.646 -2.170 1.00 0.00 N ATOM 709 CA ALA A 46 9.278 -11.329 -3.345 1.00 0.00 C ATOM 710 C ALA A 46 9.650 -10.292 -4.407 1.00 0.00 C ATOM 711 O ALA A 46 10.603 -10.457 -5.143 1.00 0.00 O ATOM 712 CB ALA A 46 8.272 -12.321 -3.933 1.00 0.00 C ATOM 0 H ALA A 46 7.802 -10.144 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 46 10.175 -11.861 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.716 -12.822 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.008 -13.062 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.375 -11.787 -4.247 1.00 0.00 H new ATOM 718 N LEU A 47 8.904 -9.225 -4.496 1.00 0.00 N ATOM 719 CA LEU A 47 9.216 -8.182 -5.513 1.00 0.00 C ATOM 720 C LEU A 47 9.933 -7.008 -4.843 1.00 0.00 C ATOM 721 O LEU A 47 9.427 -5.904 -4.797 1.00 0.00 O ATOM 722 CB LEU A 47 7.915 -7.690 -6.152 1.00 0.00 C ATOM 723 CG LEU A 47 7.111 -8.889 -6.653 1.00 0.00 C ATOM 724 CD1 LEU A 47 5.993 -9.204 -5.659 1.00 0.00 C ATOM 725 CD2 LEU A 47 6.501 -8.560 -8.018 1.00 0.00 C ATOM 0 H LEU A 47 8.093 -9.031 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 47 9.862 -8.607 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.331 -7.125 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.136 -7.015 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 47 7.768 -9.753 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.419 -10.059 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.426 -9.438 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.336 -8.340 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.927 -9.415 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.844 -7.696 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.297 -8.335 -8.728 1.00 0.00 H new ATOM 737 N ASN A 48 11.109 -7.237 -4.326 1.00 0.00 N ATOM 738 CA ASN A 48 11.858 -6.132 -3.663 1.00 0.00 C ATOM 739 C ASN A 48 13.092 -5.780 -4.500 1.00 0.00 C ATOM 740 O ASN A 48 13.551 -6.579 -5.293 1.00 0.00 O ATOM 741 CB ASN A 48 12.299 -6.575 -2.266 1.00 0.00 C ATOM 742 CG ASN A 48 12.584 -8.077 -2.270 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.859 -8.653 -3.304 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.532 -8.741 -1.148 1.00 0.00 N ATOM 0 H ASN A 48 11.583 -8.140 -4.334 1.00 0.00 H new ATOM 0 HA ASN A 48 11.213 -5.258 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.191 -6.026 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.521 -6.344 -1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.722 -9.743 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.301 -8.258 -0.280 1.00 0.00 H new ATOM 751 N PRO A 49 13.590 -4.588 -4.297 1.00 0.00 N ATOM 752 CA PRO A 49 14.772 -4.085 -5.016 1.00 0.00 C ATOM 753 C PRO A 49 16.057 -4.638 -4.392 1.00 0.00 C ATOM 754 O PRO A 49 17.033 -4.883 -5.073 1.00 0.00 O ATOM 755 CB PRO A 49 14.687 -2.568 -4.826 1.00 0.00 C ATOM 756 CG PRO A 49 13.821 -2.334 -3.564 1.00 0.00 C ATOM 757 CD PRO A 49 13.016 -3.627 -3.333 1.00 0.00 C ATOM 0 HA PRO A 49 14.792 -4.381 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.680 -2.136 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.239 -2.092 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.448 -2.109 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.154 -1.483 -3.704 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.118 -3.982 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.952 -3.471 -3.512 1.00 0.00 H new ATOM 765 N ALA A 50 16.068 -4.833 -3.101 1.00 0.00 N ATOM 766 CA ALA A 50 17.295 -5.364 -2.441 1.00 0.00 C ATOM 767 C ALA A 50 16.964 -6.656 -1.692 1.00 0.00 C ATOM 768 O ALA A 50 17.512 -6.928 -0.643 1.00 0.00 O ATOM 769 CB ALA A 50 17.835 -4.326 -1.455 1.00 0.00 C ATOM 0 H ALA A 50 15.283 -4.648 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 50 18.049 -5.573 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.732 -4.714 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 50 18.079 -3.408 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.079 -4.115 -0.699 1.00 0.00 H new ATOM 775 N LYS A 51 16.078 -7.451 -2.235 1.00 0.00 N ATOM 776 CA LYS A 51 15.695 -8.742 -1.580 1.00 0.00 C ATOM 777 C LYS A 51 15.724 -8.600 -0.055 1.00 0.00 C ATOM 778 O LYS A 51 16.308 -9.407 0.640 1.00 0.00 O ATOM 779 CB LYS A 51 16.672 -9.840 -2.010 1.00 0.00 C ATOM 780 CG LYS A 51 18.066 -9.543 -1.453 1.00 0.00 C ATOM 781 CD LYS A 51 18.776 -10.859 -1.127 1.00 0.00 C ATOM 782 CE LYS A 51 18.884 -11.709 -2.395 1.00 0.00 C ATOM 783 NZ LYS A 51 20.286 -11.676 -2.897 1.00 0.00 N ATOM 0 H LYS A 51 15.597 -7.260 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 51 14.683 -9.006 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.326 -10.809 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.710 -9.899 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.646 -8.975 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.988 -8.928 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.769 -10.659 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.225 -11.401 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.586 -12.736 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.204 -11.331 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.360 -12.254 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.554 -10.695 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.924 -12.057 -2.169 1.00 0.00 H new ATOM 797 N SER A 52 15.099 -7.584 0.472 1.00 0.00 N ATOM 798 CA SER A 52 15.096 -7.401 1.951 1.00 0.00 C ATOM 799 C SER A 52 13.658 -7.239 2.447 1.00 0.00 C ATOM 800 O SER A 52 12.840 -6.603 1.812 1.00 0.00 O ATOM 801 CB SER A 52 15.902 -6.153 2.312 1.00 0.00 C ATOM 802 OG SER A 52 17.263 -6.513 2.507 1.00 0.00 O ATOM 0 H SER A 52 14.591 -6.874 -0.056 1.00 0.00 H new ATOM 0 HA SER A 52 15.545 -8.275 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.820 -5.411 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.501 -5.696 3.217 1.00 0.00 H new ATOM 0 HG SER A 52 17.673 -6.724 1.642 1.00 0.00 H new ATOM 808 N ALA A 53 13.343 -7.810 3.578 1.00 0.00 N ATOM 809 CA ALA A 53 11.958 -7.689 4.115 1.00 0.00 C ATOM 810 C ALA A 53 12.004 -7.033 5.496 1.00 0.00 C ATOM 811 O ALA A 53 11.022 -7.001 6.212 1.00 0.00 O ATOM 812 CB ALA A 53 11.333 -9.080 4.236 1.00 0.00 C ATOM 0 H ALA A 53 13.985 -8.355 4.153 1.00 0.00 H new ATOM 0 HA ALA A 53 11.359 -7.078 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.320 -8.991 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.301 -9.551 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.932 -9.690 4.912 1.00 0.00 H new ATOM 818 N ASP A 54 13.137 -6.512 5.878 1.00 0.00 N ATOM 819 CA ASP A 54 13.243 -5.860 7.213 1.00 0.00 C ATOM 820 C ASP A 54 12.296 -4.661 7.269 1.00 0.00 C ATOM 821 O ASP A 54 11.658 -4.411 8.272 1.00 0.00 O ATOM 822 CB ASP A 54 14.682 -5.388 7.437 1.00 0.00 C ATOM 823 CG ASP A 54 14.908 -5.126 8.927 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.159 -5.666 9.723 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.827 -4.390 9.246 1.00 0.00 O ATOM 0 H ASP A 54 13.993 -6.510 5.324 1.00 0.00 H new ATOM 0 HA ASP A 54 12.971 -6.574 7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.383 -6.142 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.871 -4.480 6.865 1.00 0.00 H new ATOM 830 N LEU A 55 12.199 -3.920 6.201 1.00 0.00 N ATOM 831 CA LEU A 55 11.291 -2.740 6.197 1.00 0.00 C ATOM 832 C LEU A 55 9.856 -3.199 5.938 1.00 0.00 C ATOM 833 O LEU A 55 8.915 -2.618 6.436 1.00 0.00 O ATOM 834 CB LEU A 55 11.732 -1.756 5.106 1.00 0.00 C ATOM 835 CG LEU A 55 11.365 -2.306 3.727 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.109 -1.600 3.213 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.523 -2.056 2.758 1.00 0.00 C ATOM 0 H LEU A 55 12.708 -4.080 5.332 1.00 0.00 H new ATOM 0 HA LEU A 55 11.337 -2.242 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.252 -0.790 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.808 -1.591 5.166 1.00 0.00 H new ATOM 0 HG LEU A 55 11.174 -3.377 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.848 -1.992 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.285 -1.775 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.299 -0.529 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.265 -2.447 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.712 -0.985 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.419 -2.558 3.124 1.00 0.00 H new ATOM 849 N ALA A 56 9.676 -4.242 5.172 1.00 0.00 N ATOM 850 CA ALA A 56 8.296 -4.731 4.892 1.00 0.00 C ATOM 851 C ALA A 56 7.694 -5.324 6.167 1.00 0.00 C ATOM 852 O ALA A 56 6.549 -5.084 6.494 1.00 0.00 O ATOM 853 CB ALA A 56 8.345 -5.805 3.803 1.00 0.00 C ATOM 0 H ALA A 56 10.424 -4.775 4.729 1.00 0.00 H new ATOM 0 HA ALA A 56 7.679 -3.899 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.336 -6.162 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.771 -5.382 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.963 -6.637 4.140 1.00 0.00 H new ATOM 859 N LYS A 57 8.456 -6.099 6.887 1.00 0.00 N ATOM 860 CA LYS A 57 7.928 -6.709 8.139 1.00 0.00 C ATOM 861 C LYS A 57 7.281 -5.628 9.008 1.00 0.00 C ATOM 862 O LYS A 57 6.350 -5.886 9.745 1.00 0.00 O ATOM 863 CB LYS A 57 9.078 -7.361 8.909 1.00 0.00 C ATOM 864 CG LYS A 57 8.512 -8.322 9.955 1.00 0.00 C ATOM 865 CD LYS A 57 9.385 -9.577 10.019 1.00 0.00 C ATOM 866 CE LYS A 57 8.563 -10.792 9.587 1.00 0.00 C ATOM 867 NZ LYS A 57 9.476 -11.859 9.089 1.00 0.00 N ATOM 0 H LYS A 57 9.422 -6.337 6.662 1.00 0.00 H new ATOM 0 HA LYS A 57 7.182 -7.462 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.731 -7.899 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.685 -6.596 9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.481 -7.837 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.487 -8.591 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.253 -9.463 9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.761 -9.720 11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.976 -11.164 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.858 -10.508 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.917 -12.685 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.018 -11.501 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.132 -12.137 9.847 1.00 0.00 H new ATOM 881 N SER A 58 7.770 -4.420 8.935 1.00 0.00 N ATOM 882 CA SER A 58 7.183 -3.328 9.767 1.00 0.00 C ATOM 883 C SER A 58 6.344 -2.393 8.889 1.00 0.00 C ATOM 884 O SER A 58 5.285 -1.945 9.282 1.00 0.00 O ATOM 885 CB SER A 58 8.309 -2.530 10.424 1.00 0.00 C ATOM 886 OG SER A 58 8.119 -2.522 11.833 1.00 0.00 O ATOM 0 H SER A 58 8.548 -4.141 8.337 1.00 0.00 H new ATOM 0 HA SER A 58 6.545 -3.767 10.534 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.275 -2.972 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.319 -1.510 10.041 1.00 0.00 H new ATOM 0 HG SER A 58 8.840 -2.012 12.257 1.00 0.00 H new ATOM 892 N LEU A 59 6.810 -2.090 7.709 1.00 0.00 N ATOM 893 CA LEU A 59 6.041 -1.177 6.812 1.00 0.00 C ATOM 894 C LEU A 59 4.558 -1.539 6.849 1.00 0.00 C ATOM 895 O LEU A 59 3.710 -0.711 7.118 1.00 0.00 O ATOM 896 CB LEU A 59 6.540 -1.329 5.371 1.00 0.00 C ATOM 897 CG LEU A 59 6.215 -0.074 4.567 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.918 1.128 5.194 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.715 -0.256 3.134 1.00 0.00 C ATOM 0 H LEU A 59 7.690 -2.434 7.325 1.00 0.00 H new ATOM 0 HA LEU A 59 6.182 -0.151 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.616 -1.504 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.074 -2.198 4.907 1.00 0.00 H new ATOM 0 HG LEU A 59 5.138 0.093 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.686 2.025 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.575 1.255 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.995 0.963 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.486 0.637 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.793 -0.417 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.223 -1.118 2.684 1.00 0.00 H new ATOM 911 N SER A 60 4.239 -2.765 6.540 1.00 0.00 N ATOM 912 CA SER A 60 2.811 -3.181 6.510 1.00 0.00 C ATOM 913 C SER A 60 2.296 -3.436 7.923 1.00 0.00 C ATOM 914 O SER A 60 3.040 -3.775 8.822 1.00 0.00 O ATOM 915 CB SER A 60 2.682 -4.459 5.684 1.00 0.00 C ATOM 916 OG SER A 60 3.526 -5.461 6.234 1.00 0.00 O ATOM 0 H SER A 60 4.909 -3.498 6.306 1.00 0.00 H new ATOM 0 HA SER A 60 2.218 -2.383 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.647 -4.801 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.957 -4.265 4.647 1.00 0.00 H new ATOM 0 HG SER A 60 3.035 -5.963 6.918 1.00 0.00 H new ATOM 922 N HIS A 61 1.018 -3.273 8.116 1.00 0.00 N ATOM 923 CA HIS A 61 0.425 -3.501 9.462 1.00 0.00 C ATOM 924 C HIS A 61 -0.086 -4.941 9.547 1.00 0.00 C ATOM 925 O HIS A 61 -0.028 -5.685 8.589 1.00 0.00 O ATOM 926 CB HIS A 61 -0.737 -2.529 9.673 1.00 0.00 C ATOM 927 CG HIS A 61 -1.856 -2.870 8.728 1.00 0.00 C ATOM 928 ND1 HIS A 61 -2.999 -3.542 9.146 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.022 -2.636 7.386 1.00 0.00 C ATOM 930 CE1 HIS A 61 -3.793 -3.684 8.066 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.243 -3.151 6.975 1.00 0.00 N ATOM 0 H HIS A 61 0.355 -2.990 7.395 1.00 0.00 H new ATOM 0 HA HIS A 61 1.178 -3.336 10.232 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.088 -2.584 10.703 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.404 -1.505 9.504 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.199 -3.867 10.092 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.312 -2.130 6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.757 -4.170 8.083 1.00 0.00 H new ATOM 939 N LYS A 62 -0.581 -5.341 10.685 1.00 0.00 N ATOM 940 CA LYS A 62 -1.087 -6.736 10.822 1.00 0.00 C ATOM 941 C LYS A 62 -2.605 -6.718 11.019 1.00 0.00 C ATOM 942 O LYS A 62 -3.345 -7.312 10.261 1.00 0.00 O ATOM 943 CB LYS A 62 -0.422 -7.403 12.028 1.00 0.00 C ATOM 944 CG LYS A 62 0.981 -7.876 11.640 1.00 0.00 C ATOM 945 CD LYS A 62 0.993 -9.402 11.534 1.00 0.00 C ATOM 946 CE LYS A 62 1.045 -10.010 12.937 1.00 0.00 C ATOM 947 NZ LYS A 62 2.181 -10.971 13.021 1.00 0.00 N ATOM 0 H LYS A 62 -0.657 -4.765 11.523 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.849 -7.297 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.364 -6.700 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.022 -8.248 12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.276 -7.432 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.706 -7.547 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.103 -9.748 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.854 -9.730 10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.165 -9.223 13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.107 -10.519 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.216 -11.384 13.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.048 -11.728 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.073 -10.472 12.827 1.00 0.00 H new ATOM 961 N GLN A 63 -3.075 -6.043 12.032 1.00 0.00 N ATOM 962 CA GLN A 63 -4.545 -5.994 12.276 1.00 0.00 C ATOM 963 C GLN A 63 -5.276 -5.758 10.953 1.00 0.00 C ATOM 964 O GLN A 63 -4.794 -5.063 10.081 1.00 0.00 O ATOM 965 CB GLN A 63 -4.864 -4.857 13.248 1.00 0.00 C ATOM 966 CG GLN A 63 -4.674 -3.513 12.543 1.00 0.00 C ATOM 967 CD GLN A 63 -4.639 -2.393 13.584 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.288 -2.543 14.706 1.00 0.00 O flip ATOM 969 NE2 GLN A 63 -4.016 -1.372 13.375 1.00 0.00 N flip ATOM 0 H GLN A 63 -2.506 -5.524 12.701 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.873 -6.940 12.706 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.889 -4.949 13.608 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.213 -4.917 14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.748 -3.519 11.968 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.486 -3.342 11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.509 -1.255 12.498 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.000 -0.632 14.076 1.00 0.00 H new ATOM 978 N LEU A 64 -6.437 -6.333 10.798 1.00 0.00 N ATOM 979 CA LEU A 64 -7.201 -6.145 9.532 1.00 0.00 C ATOM 980 C LEU A 64 -7.884 -4.776 9.546 1.00 0.00 C ATOM 981 O LEU A 64 -7.948 -4.114 10.562 1.00 0.00 O ATOM 982 CB LEU A 64 -8.261 -7.242 9.408 1.00 0.00 C ATOM 983 CG LEU A 64 -7.636 -8.494 8.791 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.287 -9.489 9.899 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.633 -9.139 7.826 1.00 0.00 C ATOM 0 H LEU A 64 -6.890 -6.925 11.494 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.518 -6.202 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.673 -7.475 10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.088 -6.894 8.789 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.731 -8.218 8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.842 -10.381 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.578 -9.031 10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.193 -9.764 10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.188 -10.031 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.538 -9.414 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.884 -8.431 7.036 1.00 0.00 H new ATOM 997 N LEU A 65 -8.395 -4.346 8.425 1.00 0.00 N ATOM 998 CA LEU A 65 -9.074 -3.020 8.375 1.00 0.00 C ATOM 999 C LEU A 65 -10.581 -3.214 8.557 1.00 0.00 C ATOM 1000 O LEU A 65 -11.261 -3.721 7.687 1.00 0.00 O ATOM 1001 CB LEU A 65 -8.804 -2.361 7.021 1.00 0.00 C ATOM 1002 CG LEU A 65 -7.545 -1.499 7.115 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -6.403 -2.328 7.703 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.154 -1.013 5.717 1.00 0.00 C ATOM 0 H LEU A 65 -8.372 -4.855 7.542 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.690 -2.383 9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.679 -3.123 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.656 -1.748 6.727 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.740 -0.640 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.505 -1.714 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.681 -2.675 8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.208 -3.187 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.256 -0.398 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.959 -1.872 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.968 -0.422 5.296 1.00 0.00 H new ATOM 1016 N MET A 66 -11.109 -2.818 9.683 1.00 0.00 N ATOM 1017 CA MET A 66 -12.570 -2.983 9.921 1.00 0.00 C ATOM 1018 C MET A 66 -13.220 -1.610 10.107 1.00 0.00 C ATOM 1019 O MET A 66 -14.414 -1.502 10.308 1.00 0.00 O ATOM 1020 CB MET A 66 -12.788 -3.825 11.180 1.00 0.00 C ATOM 1021 CG MET A 66 -14.047 -4.678 11.013 1.00 0.00 C ATOM 1022 SD MET A 66 -14.614 -5.240 12.638 1.00 0.00 S ATOM 1023 CE MET A 66 -15.746 -3.867 12.968 1.00 0.00 C ATOM 0 H MET A 66 -10.591 -2.387 10.449 1.00 0.00 H new ATOM 0 HA MET A 66 -13.022 -3.483 9.064 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.923 -4.465 11.356 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.888 -3.177 12.051 1.00 0.00 H new ATOM 0 HG2 MET A 66 -14.830 -4.099 10.523 1.00 0.00 H new ATOM 0 HG3 MET A 66 -13.837 -5.535 10.373 1.00 0.00 H new ATOM 0 HE1 MET A 66 -16.218 -4.010 13.940 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.190 -2.929 12.968 1.00 0.00 H new ATOM 0 HE3 MET A 66 -16.513 -3.834 12.194 1.00 0.00 H new ATOM 1033 N SER A 67 -12.449 -0.560 10.043 1.00 0.00 N ATOM 1034 CA SER A 67 -13.031 0.800 10.219 1.00 0.00 C ATOM 1035 C SER A 67 -13.436 1.365 8.854 1.00 0.00 C ATOM 1036 O SER A 67 -12.804 1.083 7.856 1.00 0.00 O ATOM 1037 CB SER A 67 -11.995 1.721 10.864 1.00 0.00 C ATOM 1038 OG SER A 67 -12.327 3.072 10.575 1.00 0.00 O ATOM 0 H SER A 67 -11.443 -0.585 9.877 1.00 0.00 H new ATOM 0 HA SER A 67 -13.910 0.736 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.971 1.562 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.999 1.490 10.486 1.00 0.00 H new ATOM 0 HG SER A 67 -12.276 3.604 11.396 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.485 2.149 8.856 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.012 2.778 7.631 1.00 0.00 C ATOM 1046 C PRO A 68 -14.166 3.992 7.235 1.00 0.00 C ATOM 1047 O PRO A 68 -14.459 5.110 7.612 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.426 3.211 8.031 1.00 0.00 C ATOM 1049 CG PRO A 68 -16.428 3.326 9.574 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.245 2.480 10.080 1.00 0.00 C ATOM 0 HA PRO A 68 -14.998 2.109 6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.685 4.164 7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.165 2.483 7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.322 4.365 9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.369 2.963 9.988 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.633 3.036 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.589 1.580 10.591 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.128 3.787 6.469 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.281 4.940 6.046 1.00 0.00 C ATOM 1060 C GLY A 69 -11.173 5.177 7.072 1.00 0.00 C ATOM 1061 O GLY A 69 -10.785 6.299 7.333 1.00 0.00 O ATOM 0 H GLY A 69 -12.831 2.876 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.845 4.742 5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.894 5.836 5.947 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.656 4.133 7.655 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.570 4.303 8.660 1.00 0.00 C ATOM 1067 C GLN A 70 -8.624 3.104 8.586 1.00 0.00 C ATOM 1068 O GLN A 70 -8.851 2.082 9.204 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.180 4.392 10.060 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.327 5.315 10.932 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.459 4.898 12.397 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -8.483 4.557 13.034 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -10.636 4.909 12.961 1.00 0.00 N ATOM 0 H GLN A 70 -10.938 3.169 7.479 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.015 5.218 8.451 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.200 4.772 10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.235 3.400 10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.283 5.265 10.621 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.647 6.349 10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.455 5.196 12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.736 4.631 13.937 1.00 0.00 H new ATOM 1082 N SER A 71 -7.567 3.219 7.830 1.00 0.00 N ATOM 1083 CA SER A 71 -6.610 2.085 7.713 1.00 0.00 C ATOM 1084 C SER A 71 -5.401 2.333 8.625 1.00 0.00 C ATOM 1085 O SER A 71 -5.487 2.214 9.831 1.00 0.00 O ATOM 1086 CB SER A 71 -6.139 1.969 6.270 1.00 0.00 C ATOM 1087 OG SER A 71 -5.886 3.272 5.760 1.00 0.00 O ATOM 0 H SER A 71 -7.325 4.049 7.289 1.00 0.00 H new ATOM 0 HA SER A 71 -7.105 1.161 8.013 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.235 1.362 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.896 1.469 5.666 1.00 0.00 H new ATOM 0 HG SER A 71 -4.986 3.303 5.373 1.00 0.00 H new ATOM 1093 N THR A 72 -4.274 2.682 8.056 1.00 0.00 N ATOM 1094 CA THR A 72 -3.063 2.946 8.877 1.00 0.00 C ATOM 1095 C THR A 72 -2.086 3.777 8.043 1.00 0.00 C ATOM 1096 O THR A 72 -1.702 3.390 6.957 1.00 0.00 O ATOM 1097 CB THR A 72 -2.407 1.616 9.266 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.269 1.862 10.086 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.975 0.871 8.002 1.00 0.00 C ATOM 0 H THR A 72 -4.145 2.795 7.051 1.00 0.00 H new ATOM 0 HA THR A 72 -3.334 3.486 9.784 1.00 0.00 H new ATOM 0 HB THR A 72 -3.124 1.009 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.854 1.010 10.334 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.509 -0.075 8.278 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.847 0.677 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.261 1.479 7.447 1.00 0.00 H new ATOM 1107 N SER A 73 -1.684 4.916 8.531 1.00 0.00 N ATOM 1108 CA SER A 73 -0.740 5.761 7.747 1.00 0.00 C ATOM 1109 C SER A 73 0.678 5.213 7.902 1.00 0.00 C ATOM 1110 O SER A 73 1.456 5.690 8.704 1.00 0.00 O ATOM 1111 CB SER A 73 -0.796 7.200 8.262 1.00 0.00 C ATOM 1112 OG SER A 73 -2.081 7.746 7.992 1.00 0.00 O ATOM 0 H SER A 73 -1.966 5.298 9.434 1.00 0.00 H new ATOM 0 HA SER A 73 -1.021 5.744 6.694 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.596 7.223 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.024 7.801 7.781 1.00 0.00 H new ATOM 0 HG SER A 73 -2.121 8.668 8.322 1.00 0.00 H new ATOM 1118 N THR A 74 1.019 4.212 7.136 1.00 0.00 N ATOM 1119 CA THR A 74 2.386 3.631 7.237 1.00 0.00 C ATOM 1120 C THR A 74 3.422 4.709 6.929 1.00 0.00 C ATOM 1121 O THR A 74 3.672 5.033 5.785 1.00 0.00 O ATOM 1122 CB THR A 74 2.537 2.483 6.233 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.598 1.461 6.536 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.956 1.917 6.316 1.00 0.00 C ATOM 0 H THR A 74 0.410 3.773 6.446 1.00 0.00 H new ATOM 0 HA THR A 74 2.540 3.252 8.247 1.00 0.00 H new ATOM 0 HB THR A 74 2.354 2.855 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.075 0.635 6.761 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.064 1.100 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.675 2.702 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.141 1.545 7.324 1.00 0.00 H new ATOM 1132 N THR A 75 4.038 5.260 7.937 1.00 0.00 N ATOM 1133 CA THR A 75 5.066 6.304 7.689 1.00 0.00 C ATOM 1134 C THR A 75 6.359 5.608 7.271 1.00 0.00 C ATOM 1135 O THR A 75 7.207 5.312 8.088 1.00 0.00 O ATOM 1136 CB THR A 75 5.303 7.111 8.969 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.403 7.989 8.777 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.601 6.158 10.128 1.00 0.00 C ATOM 0 H THR A 75 3.874 5.033 8.918 1.00 0.00 H new ATOM 0 HA THR A 75 4.733 6.984 6.905 1.00 0.00 H new ATOM 0 HB THR A 75 4.411 7.693 9.202 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.555 8.507 9.595 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.769 6.734 11.038 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.754 5.487 10.274 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.492 5.573 9.898 1.00 0.00 H new ATOM 1146 N PHE A 76 6.496 5.328 6.000 1.00 0.00 N ATOM 1147 CA PHE A 76 7.714 4.629 5.498 1.00 0.00 C ATOM 1148 C PHE A 76 8.949 5.097 6.276 1.00 0.00 C ATOM 1149 O PHE A 76 9.010 6.226 6.720 1.00 0.00 O ATOM 1150 CB PHE A 76 7.888 4.923 4.008 1.00 0.00 C ATOM 1151 CG PHE A 76 7.064 3.940 3.205 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.808 3.528 3.672 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.557 3.438 1.995 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.050 2.615 2.929 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.798 2.525 1.253 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.545 2.115 1.721 1.00 0.00 C ATOM 0 H PHE A 76 5.808 5.557 5.283 1.00 0.00 H new ATOM 0 HA PHE A 76 7.600 3.555 5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.574 5.943 3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.939 4.846 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.425 3.915 4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.524 3.755 1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.083 2.297 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.180 2.137 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.959 1.411 1.148 1.00 0.00 H new ATOM 1166 N PRO A 77 9.888 4.197 6.434 1.00 0.00 N ATOM 1167 CA PRO A 77 11.133 4.464 7.177 1.00 0.00 C ATOM 1168 C PRO A 77 12.126 5.264 6.337 1.00 0.00 C ATOM 1169 O PRO A 77 11.907 5.527 5.172 1.00 0.00 O ATOM 1170 CB PRO A 77 11.688 3.066 7.457 1.00 0.00 C ATOM 1171 CG PRO A 77 11.060 2.124 6.404 1.00 0.00 C ATOM 1172 CD PRO A 77 9.796 2.829 5.882 1.00 0.00 C ATOM 0 HA PRO A 77 10.959 5.054 8.077 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.776 3.059 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.434 2.743 8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.760 1.931 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.811 1.159 6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.768 2.841 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.891 2.324 6.219 1.00 0.00 H new ATOM 1180 N ALA A 78 13.232 5.632 6.926 1.00 0.00 N ATOM 1181 CA ALA A 78 14.264 6.393 6.173 1.00 0.00 C ATOM 1182 C ALA A 78 15.151 5.400 5.420 1.00 0.00 C ATOM 1183 O ALA A 78 16.172 5.757 4.867 1.00 0.00 O ATOM 1184 CB ALA A 78 15.117 7.208 7.148 1.00 0.00 C ATOM 0 H ALA A 78 13.464 5.436 7.900 1.00 0.00 H new ATOM 0 HA ALA A 78 13.785 7.073 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.872 7.765 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.481 7.905 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.606 6.536 7.853 1.00 0.00 H new ATOM 1190 N ASP A 79 14.761 4.151 5.392 1.00 0.00 N ATOM 1191 CA ASP A 79 15.569 3.131 4.673 1.00 0.00 C ATOM 1192 C ASP A 79 14.948 2.887 3.299 1.00 0.00 C ATOM 1193 O ASP A 79 15.556 2.280 2.439 1.00 0.00 O ATOM 1194 CB ASP A 79 15.576 1.825 5.472 1.00 0.00 C ATOM 1195 CG ASP A 79 16.910 1.106 5.266 1.00 0.00 C ATOM 1196 OD1 ASP A 79 17.192 0.734 4.138 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.628 0.940 6.238 1.00 0.00 O ATOM 0 H ASP A 79 13.915 3.797 5.838 1.00 0.00 H new ATOM 0 HA ASP A 79 16.594 3.485 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.423 2.034 6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.753 1.186 5.151 1.00 0.00 H new ATOM 1202 N ALA A 80 13.741 3.364 3.091 1.00 0.00 N ATOM 1203 CA ALA A 80 13.064 3.181 1.768 1.00 0.00 C ATOM 1204 C ALA A 80 14.109 3.236 0.643 1.00 0.00 C ATOM 1205 O ALA A 80 14.597 4.297 0.308 1.00 0.00 O ATOM 1206 CB ALA A 80 12.048 4.307 1.561 1.00 0.00 C ATOM 0 H ALA A 80 13.195 3.874 3.785 1.00 0.00 H new ATOM 0 HA ALA A 80 12.558 2.216 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.553 4.178 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.305 4.278 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.562 5.268 1.578 1.00 0.00 H new ATOM 1212 N PRO A 81 14.432 2.086 0.104 1.00 0.00 N ATOM 1213 CA PRO A 81 15.433 1.968 -0.973 1.00 0.00 C ATOM 1214 C PRO A 81 14.855 2.440 -2.310 1.00 0.00 C ATOM 1215 O PRO A 81 13.663 2.381 -2.540 1.00 0.00 O ATOM 1216 CB PRO A 81 15.750 0.470 -1.009 1.00 0.00 C ATOM 1217 CG PRO A 81 14.540 -0.247 -0.365 1.00 0.00 C ATOM 1218 CD PRO A 81 13.829 0.800 0.511 1.00 0.00 C ATOM 0 HA PRO A 81 16.317 2.582 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.903 0.130 -2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.667 0.254 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.867 -0.635 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.866 -1.097 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.752 0.795 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.987 0.605 1.572 1.00 0.00 H new ATOM 1226 N ALA A 82 15.696 2.910 -3.191 1.00 0.00 N ATOM 1227 CA ALA A 82 15.204 3.386 -4.513 1.00 0.00 C ATOM 1228 C ALA A 82 14.776 2.186 -5.358 1.00 0.00 C ATOM 1229 O ALA A 82 15.492 1.211 -5.476 1.00 0.00 O ATOM 1230 CB ALA A 82 16.324 4.145 -5.230 1.00 0.00 C ATOM 0 H ALA A 82 16.704 2.984 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 82 14.352 4.050 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.965 4.494 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.629 5.000 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.177 3.482 -5.377 1.00 0.00 H new ATOM 1236 N GLY A 83 13.613 2.247 -5.944 1.00 0.00 N ATOM 1237 CA GLY A 83 13.139 1.109 -6.780 1.00 0.00 C ATOM 1238 C GLY A 83 11.612 1.121 -6.837 1.00 0.00 C ATOM 1239 O GLY A 83 10.986 2.160 -6.768 1.00 0.00 O ATOM 0 H GLY A 83 12.970 3.036 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.552 1.186 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.491 0.166 -6.362 1.00 0.00 H new ATOM 1243 N GLU A 84 11.005 -0.027 -6.965 1.00 0.00 N ATOM 1244 CA GLU A 84 9.518 -0.079 -7.029 1.00 0.00 C ATOM 1245 C GLU A 84 8.991 -1.054 -5.974 1.00 0.00 C ATOM 1246 O GLU A 84 9.528 -2.126 -5.781 1.00 0.00 O ATOM 1247 CB GLU A 84 9.085 -0.553 -8.417 1.00 0.00 C ATOM 1248 CG GLU A 84 8.360 0.582 -9.143 1.00 0.00 C ATOM 1249 CD GLU A 84 9.386 1.483 -9.833 1.00 0.00 C ATOM 1250 OE1 GLU A 84 10.457 1.662 -9.277 1.00 0.00 O ATOM 1251 OE2 GLU A 84 9.083 1.979 -10.906 1.00 0.00 O ATOM 0 H GLU A 84 11.475 -0.930 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 84 9.114 0.915 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.955 -0.869 -8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.429 -1.419 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.666 0.173 -9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.769 1.162 -8.435 1.00 0.00 H new ATOM 1258 N TYR A 85 7.937 -0.691 -5.296 1.00 0.00 N ATOM 1259 CA TYR A 85 7.366 -1.597 -4.261 1.00 0.00 C ATOM 1260 C TYR A 85 6.136 -2.295 -4.844 1.00 0.00 C ATOM 1261 O TYR A 85 5.867 -2.201 -6.026 1.00 0.00 O ATOM 1262 CB TYR A 85 6.964 -0.776 -3.033 1.00 0.00 C ATOM 1263 CG TYR A 85 8.177 -0.060 -2.488 1.00 0.00 C ATOM 1264 CD1 TYR A 85 8.792 0.950 -3.239 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.690 -0.407 -1.232 1.00 0.00 C ATOM 1266 CE1 TYR A 85 9.918 1.612 -2.735 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.815 0.255 -0.727 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.429 1.265 -1.479 1.00 0.00 C ATOM 1269 OH TYR A 85 11.539 1.916 -0.982 1.00 0.00 O ATOM 0 H TYR A 85 7.446 0.195 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 85 8.105 -2.341 -3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.192 -0.054 -3.301 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.539 -1.428 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.397 1.218 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.217 -1.186 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.392 2.390 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.210 -0.013 0.242 1.00 0.00 H new ATOM 0 HH TYR A 85 12.220 1.983 -1.683 1.00 0.00 H new ATOM 1279 N THR A 86 5.384 -2.996 -4.040 1.00 0.00 N ATOM 1280 CA THR A 86 4.182 -3.687 -4.586 1.00 0.00 C ATOM 1281 C THR A 86 3.278 -4.166 -3.449 1.00 0.00 C ATOM 1282 O THR A 86 3.492 -5.213 -2.871 1.00 0.00 O ATOM 1283 CB THR A 86 4.624 -4.892 -5.420 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.452 -4.449 -6.486 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.393 -5.599 -5.989 1.00 0.00 C ATOM 0 H THR A 86 5.547 -3.119 -3.041 1.00 0.00 H new ATOM 0 HA THR A 86 3.626 -2.986 -5.208 1.00 0.00 H new ATOM 0 HB THR A 86 5.181 -5.586 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.290 -3.497 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.708 -6.457 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.757 -5.938 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.835 -4.907 -6.619 1.00 0.00 H new ATOM 1293 N PHE A 87 2.252 -3.420 -3.141 1.00 0.00 N ATOM 1294 CA PHE A 87 1.320 -3.848 -2.066 1.00 0.00 C ATOM 1295 C PHE A 87 0.063 -4.429 -2.711 1.00 0.00 C ATOM 1296 O PHE A 87 -0.200 -4.211 -3.877 1.00 0.00 O ATOM 1297 CB PHE A 87 0.947 -2.664 -1.170 1.00 0.00 C ATOM 1298 CG PHE A 87 1.005 -1.392 -1.967 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.212 -0.699 -2.078 1.00 0.00 C ATOM 1300 CD2 PHE A 87 -0.144 -0.910 -2.597 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.274 0.480 -2.821 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.087 0.270 -3.341 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.124 0.969 -3.454 1.00 0.00 C ATOM 0 H PHE A 87 2.021 -2.533 -3.589 1.00 0.00 H new ATOM 0 HA PHE A 87 1.806 -4.601 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.054 -2.804 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.631 -2.606 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.098 -1.076 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.076 -1.449 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.208 1.015 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.975 0.644 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.170 1.883 -4.028 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.716 -5.173 -1.976 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.941 -5.764 -2.575 1.00 0.00 C ATOM 1315 C TYR A 88 -2.984 -6.026 -1.488 1.00 0.00 C ATOM 1316 O TYR A 88 -2.920 -5.484 -0.402 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.584 -7.083 -3.263 1.00 0.00 C ATOM 1318 CG TYR A 88 -1.067 -8.058 -2.234 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.282 -8.031 -1.858 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.937 -8.988 -1.652 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.760 -8.933 -0.901 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.458 -9.890 -0.695 1.00 0.00 C ATOM 1323 CZ TYR A 88 -0.110 -9.863 -0.320 1.00 0.00 C ATOM 1324 OH TYR A 88 0.362 -10.752 0.624 1.00 0.00 O ATOM 0 H TYR A 88 -0.558 -5.395 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.353 -5.066 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.461 -7.495 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.830 -6.913 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.953 -7.314 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.977 -9.009 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.800 -8.912 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.129 -10.607 -0.246 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.371 -11.327 0.927 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.948 -6.856 -1.780 1.00 0.00 N ATOM 1335 CA CYS A 89 -5.007 -7.162 -0.778 1.00 0.00 C ATOM 1336 C CYS A 89 -5.215 -8.676 -0.705 1.00 0.00 C ATOM 1337 O CYS A 89 -5.185 -9.365 -1.705 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.314 -6.495 -1.210 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.911 -5.402 0.103 1.00 0.00 S ATOM 0 H CYS A 89 -4.048 -7.337 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.706 -6.787 0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.156 -5.925 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -7.064 -7.254 -1.432 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.434 -9.198 0.468 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.652 -10.665 0.599 1.00 0.00 C ATOM 1346 C GLU A 90 -7.086 -11.029 0.173 1.00 0.00 C ATOM 1347 O GLU A 90 -7.278 -11.990 -0.545 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.405 -11.094 2.050 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.994 -12.487 2.285 1.00 0.00 C ATOM 1350 CD GLU A 90 -5.566 -12.995 3.663 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -4.446 -13.464 3.778 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -6.366 -12.906 4.580 1.00 0.00 O ATOM 0 H GLU A 90 -5.472 -8.673 1.342 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.953 -11.190 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.335 -11.101 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.859 -10.377 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.081 -12.449 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.653 -13.173 1.510 1.00 0.00 H new ATOM 1359 N PRO A 91 -8.056 -10.260 0.621 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.470 -10.508 0.282 1.00 0.00 C ATOM 1361 C PRO A 91 -9.779 -9.999 -1.130 1.00 0.00 C ATOM 1362 O PRO A 91 -10.107 -10.763 -2.016 1.00 0.00 O ATOM 1363 CB PRO A 91 -10.240 -9.705 1.333 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.272 -8.612 1.843 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.849 -9.085 1.497 1.00 0.00 C ATOM 0 HA PRO A 91 -9.732 -11.566 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -11.136 -9.259 0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.566 -10.348 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.487 -7.654 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.382 -8.469 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.283 -8.304 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.289 -9.351 2.394 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.679 -8.715 -1.346 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.967 -8.163 -2.700 1.00 0.00 C ATOM 1375 C HIS A 92 -8.813 -8.508 -3.643 1.00 0.00 C ATOM 1376 O HIS A 92 -8.197 -7.642 -4.232 1.00 0.00 O ATOM 1377 CB HIS A 92 -10.118 -6.642 -2.609 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.860 -6.294 -1.349 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.214 -5.772 -0.233 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.184 -6.410 -1.005 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.153 -5.605 0.720 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.356 -5.979 0.297 1.00 0.00 N ATOM 0 H HIS A 92 -9.411 -8.026 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.891 -8.596 -3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.137 -6.166 -2.611 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.657 -6.265 -3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.967 -6.780 -1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.952 -5.215 1.707 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.228 -5.953 0.825 1.00 0.00 H new ATOM 1390 N ARG A 93 -8.513 -9.770 -3.786 1.00 0.00 N ATOM 1391 CA ARG A 93 -7.397 -10.175 -4.686 1.00 0.00 C ATOM 1392 C ARG A 93 -7.968 -10.716 -5.999 1.00 0.00 C ATOM 1393 O ARG A 93 -7.248 -10.960 -6.947 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.566 -11.264 -4.004 1.00 0.00 C ATOM 1395 CG ARG A 93 -5.142 -11.245 -4.562 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.267 -12.207 -3.757 1.00 0.00 C ATOM 1397 NE ARG A 93 -3.067 -12.575 -4.559 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.925 -11.985 -4.333 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.510 -11.811 -3.108 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -1.198 -11.569 -5.333 1.00 0.00 N ATOM 0 H ARG A 93 -8.993 -10.539 -3.318 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.766 -9.311 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.548 -11.101 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -7.020 -12.241 -4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.148 -11.534 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.733 -10.236 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.963 -11.741 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.834 -13.102 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.138 -13.288 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.078 -12.136 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.617 -11.350 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.522 -11.705 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.305 -11.108 -5.157 1.00 0.00 H new ATOM 1414 N GLY A 94 -9.258 -10.902 -6.064 1.00 0.00 N ATOM 1415 CA GLY A 94 -9.871 -11.423 -7.318 1.00 0.00 C ATOM 1416 C GLY A 94 -10.221 -10.253 -8.239 1.00 0.00 C ATOM 1417 O GLY A 94 -11.074 -10.361 -9.098 1.00 0.00 O ATOM 0 H GLY A 94 -9.913 -10.716 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.179 -12.100 -7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.768 -11.998 -7.086 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.571 -9.134 -8.065 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.858 -7.960 -8.916 1.00 0.00 C ATOM 1423 C ALA A 95 -8.536 -7.314 -9.320 1.00 0.00 C ATOM 1424 O ALA A 95 -7.630 -7.969 -9.797 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.723 -6.975 -8.123 1.00 0.00 C ATOM 0 H ALA A 95 -8.848 -8.989 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.397 -8.256 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.942 -6.104 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.656 -7.460 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.187 -6.660 -7.228 1.00 0.00 H new ATOM 1431 N GLY A 96 -8.422 -6.042 -9.136 1.00 0.00 N ATOM 1432 CA GLY A 96 -7.162 -5.336 -9.508 1.00 0.00 C ATOM 1433 C GLY A 96 -6.656 -4.516 -8.319 1.00 0.00 C ATOM 1434 O GLY A 96 -6.130 -3.432 -8.479 1.00 0.00 O ATOM 0 H GLY A 96 -9.149 -5.446 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.405 -6.059 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.339 -4.683 -10.363 1.00 0.00 H new ATOM 1438 N MET A 97 -6.805 -5.024 -7.126 1.00 0.00 N ATOM 1439 CA MET A 97 -6.327 -4.273 -5.930 1.00 0.00 C ATOM 1440 C MET A 97 -4.819 -4.472 -5.768 1.00 0.00 C ATOM 1441 O MET A 97 -4.367 -5.137 -4.857 1.00 0.00 O ATOM 1442 CB MET A 97 -7.043 -4.789 -4.680 1.00 0.00 C ATOM 1443 CG MET A 97 -8.317 -3.976 -4.444 1.00 0.00 C ATOM 1444 SD MET A 97 -8.175 -3.084 -2.875 1.00 0.00 S ATOM 1445 CE MET A 97 -9.111 -1.611 -3.355 1.00 0.00 C ATOM 0 H MET A 97 -7.237 -5.926 -6.928 1.00 0.00 H new ATOM 0 HA MET A 97 -6.542 -3.213 -6.062 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.290 -5.844 -4.800 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.385 -4.712 -3.814 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.470 -3.273 -5.263 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.185 -4.636 -4.423 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.473 -0.731 -3.271 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.451 -1.715 -4.385 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.974 -1.498 -2.698 1.00 0.00 H new ATOM 1455 N VAL A 98 -4.036 -3.903 -6.643 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.559 -4.060 -6.531 1.00 0.00 C ATOM 1457 C VAL A 98 -1.873 -2.739 -6.888 1.00 0.00 C ATOM 1458 O VAL A 98 -1.914 -2.294 -8.017 1.00 0.00 O ATOM 1459 CB VAL A 98 -2.090 -5.156 -7.489 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.561 -5.159 -7.554 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.581 -6.515 -6.984 1.00 0.00 C ATOM 0 H VAL A 98 -4.355 -3.337 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.300 -4.335 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.494 -4.968 -8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.227 -5.940 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.210 -4.191 -7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.155 -5.348 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.248 -7.298 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.175 -6.702 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.670 -6.514 -6.937 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.239 -2.108 -5.936 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.552 -0.824 -6.227 1.00 0.00 C ATOM 1473 C GLY A 99 0.957 -1.000 -6.047 1.00 0.00 C ATOM 1474 O GLY A 99 1.419 -2.022 -5.581 1.00 0.00 O ATOM 0 H GLY A 99 -1.169 -2.429 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.773 -0.504 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.920 -0.043 -5.561 1.00 0.00 H new ATOM 1478 N LYS A 100 1.729 -0.014 -6.414 1.00 0.00 N ATOM 1479 CA LYS A 100 3.207 -0.132 -6.264 1.00 0.00 C ATOM 1480 C LYS A 100 3.809 1.249 -6.000 1.00 0.00 C ATOM 1481 O LYS A 100 3.559 2.194 -6.722 1.00 0.00 O ATOM 1482 CB LYS A 100 3.807 -0.707 -7.549 1.00 0.00 C ATOM 1483 CG LYS A 100 3.043 -1.971 -7.950 1.00 0.00 C ATOM 1484 CD LYS A 100 3.532 -2.450 -9.319 1.00 0.00 C ATOM 1485 CE LYS A 100 2.359 -2.473 -10.300 1.00 0.00 C ATOM 1486 NZ LYS A 100 1.817 -3.858 -10.395 1.00 0.00 N ATOM 0 H LYS A 100 1.401 0.867 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 100 3.432 -0.793 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.755 0.031 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.861 -0.939 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.194 -2.752 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.973 -1.766 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.316 -1.789 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.968 -3.445 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.579 -1.788 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.686 -2.131 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.019 -3.874 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.563 -4.500 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.490 -4.168 -9.458 1.00 0.00 H new ATOM 1500 N ILE A 101 4.604 1.373 -4.972 1.00 0.00 N ATOM 1501 CA ILE A 101 5.227 2.691 -4.667 1.00 0.00 C ATOM 1502 C ILE A 101 6.442 2.893 -5.584 1.00 0.00 C ATOM 1503 O ILE A 101 7.048 1.948 -6.048 1.00 0.00 O ATOM 1504 CB ILE A 101 5.657 2.721 -3.183 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.552 3.381 -2.348 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.959 3.515 -3.010 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.087 3.714 -0.949 1.00 0.00 C ATOM 0 H ILE A 101 4.848 0.618 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 101 4.513 3.496 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 101 5.823 1.697 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.205 4.289 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.694 2.713 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.243 3.523 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.751 3.048 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.809 4.539 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.299 4.183 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.412 2.798 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.931 4.399 -1.036 1.00 0.00 H new ATOM 1519 N THR A 102 6.805 4.121 -5.832 1.00 0.00 N ATOM 1520 CA THR A 102 7.985 4.393 -6.700 1.00 0.00 C ATOM 1521 C THR A 102 8.912 5.368 -5.975 1.00 0.00 C ATOM 1522 O THR A 102 8.783 6.570 -6.095 1.00 0.00 O ATOM 1523 CB THR A 102 7.529 5.008 -8.026 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.245 4.504 -8.363 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.529 4.645 -9.125 1.00 0.00 C ATOM 0 H THR A 102 6.334 4.950 -5.470 1.00 0.00 H new ATOM 0 HA THR A 102 8.511 3.461 -6.908 1.00 0.00 H new ATOM 0 HB THR A 102 7.477 6.092 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.571 4.908 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.206 5.082 -10.070 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.514 5.033 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.581 3.561 -9.226 1.00 0.00 H new ATOM 1533 N VAL A 103 9.838 4.860 -5.211 1.00 0.00 N ATOM 1534 CA VAL A 103 10.763 5.757 -4.465 1.00 0.00 C ATOM 1535 C VAL A 103 12.097 5.859 -5.206 1.00 0.00 C ATOM 1536 O VAL A 103 12.765 4.873 -5.446 1.00 0.00 O ATOM 1537 CB VAL A 103 10.990 5.190 -3.062 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.809 6.179 -2.232 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.637 4.959 -2.386 1.00 0.00 C ATOM 0 H VAL A 103 9.994 3.862 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 103 10.325 6.752 -4.390 1.00 0.00 H new ATOM 0 HB VAL A 103 11.531 4.247 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.968 5.772 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.772 6.348 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.271 7.124 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.794 4.555 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.100 5.905 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.052 4.253 -2.975 1.00 0.00 H new ATOM 1549 N ALA A 104 12.488 7.051 -5.570 1.00 0.00 N ATOM 1550 CA ALA A 104 13.776 7.226 -6.296 1.00 0.00 C ATOM 1551 C ALA A 104 14.817 7.824 -5.347 1.00 0.00 C ATOM 1552 O ALA A 104 14.756 7.639 -4.147 1.00 0.00 O ATOM 1553 CB ALA A 104 13.568 8.170 -7.483 1.00 0.00 C ATOM 0 H ALA A 104 11.969 7.911 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 104 14.125 6.259 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.511 8.299 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.825 7.747 -8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.220 9.138 -7.122 1.00 0.00 H new ATOM 1559 N GLY A 105 15.771 8.541 -5.874 1.00 0.00 N ATOM 1560 CA GLY A 105 16.814 9.151 -5.002 1.00 0.00 C ATOM 1561 C GLY A 105 17.639 10.151 -5.815 1.00 0.00 C ATOM 1562 O GLY A 105 17.042 11.018 -6.432 1.00 0.00 O ATOM 1563 OXT GLY A 105 18.853 10.031 -5.809 1.00 0.00 O ATOM 0 H GLY A 105 15.873 8.731 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 105 16.347 9.653 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.462 8.375 -4.595 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.709 -4.398 -0.353 1.00 0.00 CU