USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -146:sc= 0.267 (180deg=0.0653) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.498 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0449 K(o=-0.045,f=-1.4!) USER MOD Single : A 18 SER OG : rot -123:sc= 0.0767 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.563 K(o=-0.56,f=-4.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.124 F(o=-0.81,f=-0.12) USER MOD Single : A 62 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.45) USER MOD Single : A 63 MET CE :methyl -160:sc= -2.5! (180deg=-4.29!) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.56! C(o=-5.1!,f=-4.6!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 81:sc= 0.545 USER MOD Single : A 79 MET CE :methyl -175:sc= 0 (180deg=-0.0088) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= -0.0226 (180deg=-0.287) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.746 -21.647 -0.839 1.00 0.00 N ATOM 2 CA MET A 1 -4.610 -20.832 -0.443 1.00 0.00 C ATOM 3 C MET A 1 -5.047 -19.402 -0.118 1.00 0.00 C ATOM 4 O MET A 1 -4.780 -18.900 0.972 1.00 0.00 O ATOM 5 CB MET A 1 -3.580 -20.807 -1.574 1.00 0.00 C ATOM 6 CG MET A 1 -2.201 -20.403 -1.051 1.00 0.00 C ATOM 7 SD MET A 1 -1.380 -21.819 -0.337 1.00 0.00 S ATOM 8 CE MET A 1 -0.942 -21.151 1.259 1.00 0.00 C ATOM 0 H1 MET A 1 -5.423 -22.612 -1.054 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.438 -21.678 -0.063 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.191 -21.235 -1.684 1.00 0.00 H new ATOM 0 HA MET A 1 -4.168 -21.269 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.522 -21.791 -2.040 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.899 -20.107 -2.346 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.600 -19.995 -1.864 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.303 -19.616 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.417 -21.910 1.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.294 -20.284 1.125 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.846 -20.850 1.788 1.00 0.00 H new ATOM 18 N SER A 2 -5.712 -18.787 -1.085 1.00 0.00 N ATOM 19 CA SER A 2 -6.188 -17.425 -0.916 1.00 0.00 C ATOM 20 C SER A 2 -7.671 -17.432 -0.537 1.00 0.00 C ATOM 21 O SER A 2 -8.533 -17.220 -1.388 1.00 0.00 O ATOM 22 CB SER A 2 -5.970 -16.603 -2.188 1.00 0.00 C ATOM 23 OG SER A 2 -4.793 -15.803 -2.112 1.00 0.00 O ATOM 0 H SER A 2 -5.932 -19.207 -1.988 1.00 0.00 H new ATOM 0 HA SER A 2 -5.616 -16.960 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.898 -17.273 -3.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.834 -15.961 -2.357 1.00 0.00 H new ATOM 0 HG SER A 2 -4.688 -15.295 -2.944 1.00 0.00 H new ATOM 29 N THR A 3 -7.921 -17.678 0.740 1.00 0.00 N ATOM 30 CA THR A 3 -9.284 -17.716 1.242 1.00 0.00 C ATOM 31 C THR A 3 -9.548 -16.520 2.158 1.00 0.00 C ATOM 32 O THR A 3 -9.450 -16.634 3.379 1.00 0.00 O ATOM 33 CB THR A 3 -9.497 -19.067 1.929 1.00 0.00 C ATOM 34 OG1 THR A 3 -9.603 -19.992 0.851 1.00 0.00 O ATOM 35 CG2 THR A 3 -10.853 -19.158 2.633 1.00 0.00 C ATOM 0 H THR A 3 -7.203 -17.853 1.443 1.00 0.00 H new ATOM 0 HA THR A 3 -10.007 -17.630 0.431 1.00 0.00 H new ATOM 0 HB THR A 3 -8.700 -19.236 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.741 -20.895 1.207 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.954 -20.136 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.921 -18.380 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.652 -19.023 1.903 1.00 0.00 H new ATOM 43 N ASP A 4 -9.879 -15.399 1.534 1.00 0.00 N ATOM 44 CA ASP A 4 -10.158 -14.182 2.277 1.00 0.00 C ATOM 45 C ASP A 4 -11.151 -13.325 1.490 1.00 0.00 C ATOM 46 O ASP A 4 -10.750 -12.441 0.734 1.00 0.00 O ATOM 47 CB ASP A 4 -8.885 -13.360 2.487 1.00 0.00 C ATOM 48 CG ASP A 4 -8.088 -13.067 1.214 1.00 0.00 C ATOM 49 OD1 ASP A 4 -8.324 -13.674 0.159 1.00 0.00 O ATOM 50 OD2 ASP A 4 -7.179 -12.160 1.337 1.00 0.00 O ATOM 0 H ASP A 4 -9.960 -15.308 0.521 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.567 -14.466 3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.155 -12.413 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.240 -13.890 3.188 1.00 0.00 H new ATOM 55 N THR A 5 -12.427 -13.616 1.694 1.00 0.00 N ATOM 56 CA THR A 5 -13.480 -12.883 1.012 1.00 0.00 C ATOM 57 C THR A 5 -13.126 -12.688 -0.463 1.00 0.00 C ATOM 58 O THR A 5 -12.930 -11.561 -0.915 1.00 0.00 O ATOM 59 CB THR A 5 -13.702 -11.568 1.762 1.00 0.00 C ATOM 60 OG1 THR A 5 -14.108 -11.976 3.066 1.00 0.00 O ATOM 61 CG2 THR A 5 -14.902 -10.784 1.227 1.00 0.00 C ATOM 0 H THR A 5 -12.756 -14.349 2.322 1.00 0.00 H new ATOM 0 HA THR A 5 -14.417 -13.440 1.018 1.00 0.00 H new ATOM 0 HB THR A 5 -12.805 -10.953 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.272 -11.185 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.015 -9.860 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.742 -10.547 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.805 -11.386 1.330 1.00 0.00 H new ATOM 69 N GLY A 6 -13.053 -13.804 -1.173 1.00 0.00 N ATOM 70 CA GLY A 6 -12.725 -13.771 -2.589 1.00 0.00 C ATOM 71 C GLY A 6 -13.900 -13.236 -3.411 1.00 0.00 C ATOM 72 O GLY A 6 -14.999 -13.059 -2.888 1.00 0.00 O ATOM 0 H GLY A 6 -13.215 -14.737 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.849 -13.143 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.465 -14.773 -2.929 1.00 0.00 H new ATOM 76 N VAL A 7 -13.627 -12.995 -4.685 1.00 0.00 N ATOM 77 CA VAL A 7 -14.647 -12.484 -5.584 1.00 0.00 C ATOM 78 C VAL A 7 -15.561 -11.524 -4.820 1.00 0.00 C ATOM 79 O VAL A 7 -16.780 -11.558 -4.984 1.00 0.00 O ATOM 80 CB VAL A 7 -15.406 -13.646 -6.229 1.00 0.00 C ATOM 81 CG1 VAL A 7 -16.557 -14.111 -5.335 1.00 0.00 C ATOM 82 CG2 VAL A 7 -15.912 -13.265 -7.622 1.00 0.00 C ATOM 0 H VAL A 7 -12.714 -13.144 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.191 -11.920 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.712 -14.479 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.080 -14.937 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.161 -14.442 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.251 -13.285 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.448 -14.108 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.583 -12.410 -7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.066 -13.005 -8.258 1.00 0.00 H new ATOM 92 N SER A 8 -14.937 -10.691 -4.000 1.00 0.00 N ATOM 93 CA SER A 8 -15.679 -9.723 -3.210 1.00 0.00 C ATOM 94 C SER A 8 -15.008 -8.351 -3.298 1.00 0.00 C ATOM 95 O SER A 8 -13.901 -8.230 -3.820 1.00 0.00 O ATOM 96 CB SER A 8 -15.786 -10.170 -1.750 1.00 0.00 C ATOM 97 OG SER A 8 -17.045 -10.773 -1.467 1.00 0.00 O ATOM 0 H SER A 8 -13.926 -10.666 -3.866 1.00 0.00 H new ATOM 0 HA SER A 8 -16.689 -9.653 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.987 -10.878 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.641 -9.310 -1.096 1.00 0.00 H new ATOM 0 HG SER A 8 -17.073 -11.046 -0.526 1.00 0.00 H new ATOM 103 N LEU A 9 -15.706 -7.352 -2.778 1.00 0.00 N ATOM 104 CA LEU A 9 -15.191 -5.993 -2.791 1.00 0.00 C ATOM 105 C LEU A 9 -15.122 -5.492 -4.235 1.00 0.00 C ATOM 106 O LEU A 9 -15.020 -6.288 -5.167 1.00 0.00 O ATOM 107 CB LEU A 9 -13.855 -5.919 -2.049 1.00 0.00 C ATOM 108 CG LEU A 9 -13.935 -5.618 -0.551 1.00 0.00 C ATOM 109 CD1 LEU A 9 -14.275 -4.147 -0.305 1.00 0.00 C ATOM 110 CD2 LEU A 9 -14.920 -6.560 0.145 1.00 0.00 C ATOM 0 H LEU A 9 -16.624 -7.456 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.864 -5.325 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.336 -6.868 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.242 -5.151 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.953 -5.798 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.326 -3.960 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.504 -3.516 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.238 -3.915 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.958 -6.325 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.912 -6.436 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.593 -7.591 0.013 1.00 0.00 H new ATOM 122 N PRO A 10 -15.182 -4.141 -4.378 1.00 0.00 N ATOM 123 CA PRO A 10 -15.127 -3.525 -5.693 1.00 0.00 C ATOM 124 C PRO A 10 -13.704 -3.556 -6.254 1.00 0.00 C ATOM 125 O PRO A 10 -13.042 -2.522 -6.334 1.00 0.00 O ATOM 126 CB PRO A 10 -15.654 -2.114 -5.488 1.00 0.00 C ATOM 127 CG PRO A 10 -15.547 -1.841 -3.997 1.00 0.00 C ATOM 128 CD PRO A 10 -15.303 -3.168 -3.296 1.00 0.00 C ATOM 0 HA PRO A 10 -15.726 -4.057 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.071 -1.392 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.686 -2.030 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.732 -1.146 -3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.461 -1.377 -3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.398 -3.135 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.126 -3.420 -2.627 1.00 0.00 H new ATOM 136 N SER A 11 -13.276 -4.753 -6.628 1.00 0.00 N ATOM 137 CA SER A 11 -11.943 -4.932 -7.179 1.00 0.00 C ATOM 138 C SER A 11 -12.014 -5.769 -8.458 1.00 0.00 C ATOM 139 O SER A 11 -11.525 -5.350 -9.506 1.00 0.00 O ATOM 140 CB SER A 11 -11.011 -5.594 -6.163 1.00 0.00 C ATOM 141 OG SER A 11 -11.120 -7.015 -6.185 1.00 0.00 O ATOM 0 H SER A 11 -13.828 -5.608 -6.560 1.00 0.00 H new ATOM 0 HA SER A 11 -11.537 -3.949 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.981 -5.306 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.246 -5.228 -5.164 1.00 0.00 H new ATOM 0 HG SER A 11 -10.508 -7.400 -5.524 1.00 0.00 H new ATOM 147 N TYR A 12 -12.627 -6.936 -8.330 1.00 0.00 N ATOM 148 CA TYR A 12 -12.769 -7.836 -9.462 1.00 0.00 C ATOM 149 C TYR A 12 -11.451 -7.963 -10.229 1.00 0.00 C ATOM 150 O TYR A 12 -11.225 -7.247 -11.204 1.00 0.00 O ATOM 151 CB TYR A 12 -13.818 -7.201 -10.376 1.00 0.00 C ATOM 152 CG TYR A 12 -14.686 -8.215 -11.125 1.00 0.00 C ATOM 153 CD1 TYR A 12 -15.318 -9.227 -10.432 1.00 0.00 C ATOM 154 CD2 TYR A 12 -14.838 -8.116 -12.493 1.00 0.00 C ATOM 155 CE1 TYR A 12 -16.134 -10.181 -11.136 1.00 0.00 C ATOM 156 CE2 TYR A 12 -15.654 -9.070 -13.198 1.00 0.00 C ATOM 157 CZ TYR A 12 -16.263 -10.056 -12.485 1.00 0.00 C ATOM 158 OH TYR A 12 -17.034 -10.957 -13.150 1.00 0.00 O ATOM 0 H TYR A 12 -13.031 -7.280 -7.459 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.055 -8.833 -9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -14.463 -6.557 -9.779 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.314 -6.563 -11.102 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -15.200 -9.303 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -14.345 -7.323 -13.035 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -16.633 -10.978 -10.605 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -15.780 -9.004 -14.269 1.00 0.00 H new ATOM 0 HH TYR A 12 -17.035 -10.744 -14.106 1.00 0.00 H new ATOM 168 N GLU A 13 -10.616 -8.878 -9.760 1.00 0.00 N ATOM 169 CA GLU A 13 -9.327 -9.107 -10.390 1.00 0.00 C ATOM 170 C GLU A 13 -8.926 -10.578 -10.258 1.00 0.00 C ATOM 171 O GLU A 13 -7.843 -10.888 -9.762 1.00 0.00 O ATOM 172 CB GLU A 13 -8.255 -8.191 -9.796 1.00 0.00 C ATOM 173 CG GLU A 13 -8.077 -8.455 -8.300 1.00 0.00 C ATOM 174 CD GLU A 13 -6.600 -8.389 -7.904 1.00 0.00 C ATOM 175 OE1 GLU A 13 -5.812 -7.696 -8.564 1.00 0.00 O ATOM 176 OE2 GLU A 13 -6.282 -9.090 -6.869 1.00 0.00 O ATOM 0 H GLU A 13 -10.807 -9.470 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.415 -8.868 -11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.308 -8.350 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.533 -7.149 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.644 -7.721 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.481 -9.436 -8.049 1.00 0.00 H new ATOM 183 N GLU A 14 -9.820 -11.445 -10.709 1.00 0.00 N ATOM 184 CA GLU A 14 -9.573 -12.876 -10.647 1.00 0.00 C ATOM 185 C GLU A 14 -9.556 -13.473 -12.055 1.00 0.00 C ATOM 186 O GLU A 14 -10.508 -14.135 -12.464 1.00 0.00 O ATOM 187 CB GLU A 14 -10.612 -13.574 -9.768 1.00 0.00 C ATOM 188 CG GLU A 14 -10.081 -13.775 -8.347 1.00 0.00 C ATOM 189 CD GLU A 14 -10.790 -14.942 -7.656 1.00 0.00 C ATOM 190 OE1 GLU A 14 -10.940 -16.018 -8.255 1.00 0.00 O ATOM 191 OE2 GLU A 14 -11.192 -14.702 -6.454 1.00 0.00 O ATOM 0 H GLU A 14 -10.717 -11.184 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.595 -13.037 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.526 -12.981 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.872 -14.539 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.008 -13.965 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.226 -12.863 -7.768 1.00 0.00 H new ATOM 198 N ASP A 15 -8.463 -13.217 -12.759 1.00 0.00 N ATOM 199 CA ASP A 15 -8.310 -13.721 -14.113 1.00 0.00 C ATOM 200 C ASP A 15 -6.909 -14.315 -14.277 1.00 0.00 C ATOM 201 O ASP A 15 -6.764 -15.482 -14.636 1.00 0.00 O ATOM 202 CB ASP A 15 -8.470 -12.599 -15.141 1.00 0.00 C ATOM 203 CG ASP A 15 -9.411 -12.917 -16.304 1.00 0.00 C ATOM 204 OD1 ASP A 15 -10.125 -13.931 -16.290 1.00 0.00 O ATOM 205 OD2 ASP A 15 -9.394 -12.060 -17.269 1.00 0.00 O ATOM 0 H ASP A 15 -7.675 -12.667 -12.417 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.079 -14.475 -14.280 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.836 -11.708 -14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.488 -12.354 -15.545 1.00 0.00 H new ATOM 210 N GLN A 16 -5.914 -13.484 -14.005 1.00 0.00 N ATOM 211 CA GLN A 16 -4.530 -13.912 -14.117 1.00 0.00 C ATOM 212 C GLN A 16 -3.595 -12.842 -13.550 1.00 0.00 C ATOM 213 O GLN A 16 -2.647 -13.157 -12.833 1.00 0.00 O ATOM 214 CB GLN A 16 -4.172 -14.238 -15.568 1.00 0.00 C ATOM 215 CG GLN A 16 -4.427 -13.036 -16.479 1.00 0.00 C ATOM 216 CD GLN A 16 -4.450 -13.457 -17.950 1.00 0.00 C ATOM 217 OE1 GLN A 16 -4.776 -14.580 -18.296 1.00 0.00 O ATOM 218 NE2 GLN A 16 -4.086 -12.495 -18.794 1.00 0.00 N ATOM 0 H GLN A 16 -6.039 -12.516 -13.707 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.405 -14.823 -13.532 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.124 -14.530 -15.631 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.761 -15.089 -15.909 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.377 -12.571 -16.215 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.651 -12.287 -16.324 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.825 -11.576 -18.437 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.068 -12.677 -19.798 1.00 0.00 H new ATOM 227 N GLY A 17 -3.896 -11.598 -13.892 1.00 0.00 N ATOM 228 CA GLY A 17 -3.094 -10.479 -13.426 1.00 0.00 C ATOM 229 C GLY A 17 -2.642 -10.693 -11.980 1.00 0.00 C ATOM 230 O GLY A 17 -1.445 -10.739 -11.701 1.00 0.00 O ATOM 0 H GLY A 17 -4.684 -11.340 -14.486 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.222 -10.359 -14.069 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.672 -9.558 -13.497 1.00 0.00 H new ATOM 234 N SER A 18 -3.623 -10.818 -11.099 1.00 0.00 N ATOM 235 CA SER A 18 -3.341 -11.027 -9.689 1.00 0.00 C ATOM 236 C SER A 18 -2.232 -12.068 -9.526 1.00 0.00 C ATOM 237 O SER A 18 -1.276 -11.851 -8.783 1.00 0.00 O ATOM 238 CB SER A 18 -4.598 -11.467 -8.935 1.00 0.00 C ATOM 239 OG SER A 18 -5.221 -12.593 -9.547 1.00 0.00 O ATOM 0 H SER A 18 -4.615 -10.779 -11.334 1.00 0.00 H new ATOM 0 HA SER A 18 -3.008 -10.081 -9.263 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.336 -11.713 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.305 -10.639 -8.895 1.00 0.00 H new ATOM 0 HG SER A 18 -6.152 -12.375 -9.763 1.00 0.00 H new ATOM 245 N LYS A 19 -2.398 -13.178 -10.231 1.00 0.00 N ATOM 246 CA LYS A 19 -1.423 -14.253 -10.174 1.00 0.00 C ATOM 247 C LYS A 19 -0.039 -13.701 -10.521 1.00 0.00 C ATOM 248 O LYS A 19 0.941 -13.998 -9.840 1.00 0.00 O ATOM 249 CB LYS A 19 -1.859 -15.420 -11.062 1.00 0.00 C ATOM 250 CG LYS A 19 -1.126 -16.707 -10.676 1.00 0.00 C ATOM 251 CD LYS A 19 -1.088 -17.689 -11.849 1.00 0.00 C ATOM 252 CE LYS A 19 0.046 -17.344 -12.816 1.00 0.00 C ATOM 253 NZ LYS A 19 1.086 -18.397 -12.793 1.00 0.00 N ATOM 0 H LYS A 19 -3.193 -13.356 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.361 -14.657 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.935 -15.569 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.658 -15.182 -12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.109 -16.471 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.623 -17.171 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.955 -18.704 -11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.041 -17.667 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.349 -17.237 -13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.485 -16.385 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.848 -18.147 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.475 -18.480 -11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.666 -19.306 -13.076 1.00 0.00 H new ATOM 267 N LEU A 20 -0.003 -12.907 -11.581 1.00 0.00 N ATOM 268 CA LEU A 20 1.245 -12.310 -12.027 1.00 0.00 C ATOM 269 C LEU A 20 1.801 -11.414 -10.919 1.00 0.00 C ATOM 270 O LEU A 20 3.013 -11.231 -10.814 1.00 0.00 O ATOM 271 CB LEU A 20 1.046 -11.587 -13.361 1.00 0.00 C ATOM 272 CG LEU A 20 1.964 -12.023 -14.504 1.00 0.00 C ATOM 273 CD1 LEU A 20 1.307 -13.119 -15.346 1.00 0.00 C ATOM 274 CD2 LEU A 20 2.389 -10.825 -15.355 1.00 0.00 C ATOM 0 H LEU A 20 -0.818 -12.663 -12.144 1.00 0.00 H new ATOM 0 HA LEU A 20 1.990 -13.082 -12.217 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.013 -11.728 -13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.186 -10.519 -13.197 1.00 0.00 H new ATOM 0 HG LEU A 20 2.870 -12.447 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.980 -13.411 -16.152 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.097 -13.984 -14.717 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.376 -12.743 -15.770 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.041 -11.164 -16.160 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.505 -10.349 -15.780 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.924 -10.108 -14.732 1.00 0.00 H new ATOM 286 N ILE A 21 0.890 -10.881 -10.119 1.00 0.00 N ATOM 287 CA ILE A 21 1.275 -10.009 -9.023 1.00 0.00 C ATOM 288 C ILE A 21 1.696 -10.860 -7.823 1.00 0.00 C ATOM 289 O ILE A 21 2.422 -10.390 -6.948 1.00 0.00 O ATOM 290 CB ILE A 21 0.154 -9.016 -8.708 1.00 0.00 C ATOM 291 CG1 ILE A 21 -0.217 -8.197 -9.947 1.00 0.00 C ATOM 292 CG2 ILE A 21 0.527 -8.125 -7.522 1.00 0.00 C ATOM 293 CD1 ILE A 21 -1.731 -8.001 -10.041 1.00 0.00 C ATOM 0 H ILE A 21 -0.114 -11.036 -10.208 1.00 0.00 H new ATOM 0 HA ILE A 21 2.137 -9.404 -9.304 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.732 -9.581 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.277 -7.226 -9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.144 -8.702 -10.843 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.287 -7.429 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.702 -8.744 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.432 -7.566 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.968 -7.416 -10.930 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.220 -8.973 -10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.085 -7.474 -9.155 1.00 0.00 H new ATOM 305 N ARG A 22 1.223 -12.098 -7.822 1.00 0.00 N ATOM 306 CA ARG A 22 1.542 -13.019 -6.744 1.00 0.00 C ATOM 307 C ARG A 22 2.999 -13.475 -6.849 1.00 0.00 C ATOM 308 O ARG A 22 3.306 -14.425 -7.567 1.00 0.00 O ATOM 309 CB ARG A 22 0.628 -14.246 -6.780 1.00 0.00 C ATOM 310 CG ARG A 22 -0.178 -14.366 -5.485 1.00 0.00 C ATOM 311 CD ARG A 22 0.533 -15.274 -4.479 1.00 0.00 C ATOM 312 NE ARG A 22 -0.372 -16.366 -4.055 1.00 0.00 N ATOM 313 CZ ARG A 22 -1.372 -16.215 -3.161 1.00 0.00 C ATOM 314 NH1 ARG A 22 -1.605 -15.015 -2.589 1.00 0.00 N ATOM 315 NH2 ARG A 22 -2.120 -17.260 -2.855 1.00 0.00 N ATOM 0 H ARG A 22 0.622 -12.484 -8.550 1.00 0.00 H new ATOM 0 HA ARG A 22 1.389 -12.493 -5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.051 -14.174 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.226 -15.146 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.322 -13.377 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.168 -14.765 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.435 -15.691 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.847 -14.694 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.231 -17.290 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.023 -14.213 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.363 -14.910 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.938 -18.163 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.880 -17.164 -2.181 1.00 0.00 H new ATOM 329 N LYS A 23 3.858 -12.775 -6.123 1.00 0.00 N ATOM 330 CA LYS A 23 5.275 -13.095 -6.125 1.00 0.00 C ATOM 331 C LYS A 23 5.733 -13.355 -7.561 1.00 0.00 C ATOM 332 O LYS A 23 5.657 -14.482 -8.047 1.00 0.00 O ATOM 333 CB LYS A 23 5.564 -14.254 -5.169 1.00 0.00 C ATOM 334 CG LYS A 23 5.880 -13.740 -3.763 1.00 0.00 C ATOM 335 CD LYS A 23 6.201 -14.897 -2.815 1.00 0.00 C ATOM 336 CE LYS A 23 7.692 -14.931 -2.476 1.00 0.00 C ATOM 337 NZ LYS A 23 8.348 -16.080 -3.139 1.00 0.00 N ATOM 0 H LYS A 23 3.600 -11.987 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 23 5.856 -12.251 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.703 -14.922 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.404 -14.838 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.726 -13.054 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.030 -13.176 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.619 -14.794 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.907 -15.841 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.165 -14.002 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.824 -15.003 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.360 -16.088 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.908 -16.965 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.238 -15.995 -4.170 1.00 0.00 H new ATOM 351 N ALA A 24 6.198 -12.292 -8.202 1.00 0.00 N ATOM 352 CA ALA A 24 6.668 -12.391 -9.573 1.00 0.00 C ATOM 353 C ALA A 24 7.911 -13.282 -9.619 1.00 0.00 C ATOM 354 O ALA A 24 9.036 -12.785 -9.591 1.00 0.00 O ATOM 355 CB ALA A 24 6.935 -10.988 -10.124 1.00 0.00 C ATOM 0 H ALA A 24 6.259 -11.358 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 24 5.909 -12.851 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.288 -11.062 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.014 -10.405 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.693 -10.496 -9.515 1.00 0.00 H new ATOM 361 N LYS A 25 7.666 -14.582 -9.689 1.00 0.00 N ATOM 362 CA LYS A 25 8.751 -15.546 -9.739 1.00 0.00 C ATOM 363 C LYS A 25 9.483 -15.554 -8.395 1.00 0.00 C ATOM 364 O LYS A 25 9.405 -16.528 -7.647 1.00 0.00 O ATOM 365 CB LYS A 25 9.664 -15.265 -10.934 1.00 0.00 C ATOM 366 CG LYS A 25 9.251 -16.100 -12.148 1.00 0.00 C ATOM 367 CD LYS A 25 9.233 -15.248 -13.419 1.00 0.00 C ATOM 368 CE LYS A 25 8.325 -15.869 -14.482 1.00 0.00 C ATOM 369 NZ LYS A 25 8.175 -14.952 -15.635 1.00 0.00 N ATOM 0 H LYS A 25 6.731 -14.990 -9.712 1.00 0.00 H new ATOM 0 HA LYS A 25 8.360 -16.551 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.623 -14.205 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.697 -15.490 -10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.943 -16.933 -12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.263 -16.529 -11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.886 -14.242 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.245 -15.152 -13.811 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.743 -16.818 -14.817 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.347 -16.085 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.556 -15.389 -16.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.755 -14.056 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.108 -14.766 -16.055 1.00 0.00 H new ATOM 383 N GLU A 26 10.177 -14.458 -8.129 1.00 0.00 N ATOM 384 CA GLU A 26 10.922 -14.326 -6.889 1.00 0.00 C ATOM 385 C GLU A 26 11.007 -12.856 -6.474 1.00 0.00 C ATOM 386 O GLU A 26 12.061 -12.233 -6.594 1.00 0.00 O ATOM 387 CB GLU A 26 12.318 -14.941 -7.019 1.00 0.00 C ATOM 388 CG GLU A 26 12.385 -16.302 -6.325 1.00 0.00 C ATOM 389 CD GLU A 26 13.192 -17.302 -7.156 1.00 0.00 C ATOM 390 OE1 GLU A 26 13.381 -17.095 -8.364 1.00 0.00 O ATOM 391 OE2 GLU A 26 13.631 -18.324 -6.503 1.00 0.00 O ATOM 0 H GLU A 26 10.239 -13.652 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 26 10.391 -14.873 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.573 -15.053 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.057 -14.269 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.840 -16.190 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.376 -16.684 -6.168 1.00 0.00 H new ATOM 398 N ALA A 27 9.883 -12.344 -5.993 1.00 0.00 N ATOM 399 CA ALA A 27 9.817 -10.959 -5.560 1.00 0.00 C ATOM 400 C ALA A 27 8.700 -10.805 -4.526 1.00 0.00 C ATOM 401 O ALA A 27 7.542 -10.598 -4.885 1.00 0.00 O ATOM 402 CB ALA A 27 9.616 -10.053 -6.776 1.00 0.00 C ATOM 0 H ALA A 27 9.011 -12.864 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 27 10.751 -10.661 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.566 -9.014 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.451 -10.178 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.687 -10.320 -7.279 1.00 0.00 H new ATOM 408 N PRO A 28 9.096 -10.916 -3.230 1.00 0.00 N ATOM 409 CA PRO A 28 8.141 -10.792 -2.142 1.00 0.00 C ATOM 410 C PRO A 28 7.739 -9.331 -1.930 1.00 0.00 C ATOM 411 O PRO A 28 6.775 -8.856 -2.529 1.00 0.00 O ATOM 412 CB PRO A 28 8.839 -11.396 -0.935 1.00 0.00 C ATOM 413 CG PRO A 28 10.321 -11.413 -1.275 1.00 0.00 C ATOM 414 CD PRO A 28 10.459 -11.162 -2.768 1.00 0.00 C ATOM 0 HA PRO A 28 7.204 -11.310 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.651 -10.805 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.473 -12.403 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.852 -10.648 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.763 -12.372 -1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.105 -10.307 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.900 -12.020 -3.275 1.00 0.00 H new ATOM 422 N PHE A 29 8.497 -8.659 -1.077 1.00 0.00 N ATOM 423 CA PHE A 29 8.232 -7.262 -0.779 1.00 0.00 C ATOM 424 C PHE A 29 9.002 -6.343 -1.728 1.00 0.00 C ATOM 425 O PHE A 29 8.772 -5.134 -1.751 1.00 0.00 O ATOM 426 CB PHE A 29 8.709 -7.012 0.653 1.00 0.00 C ATOM 427 CG PHE A 29 10.189 -7.326 0.880 1.00 0.00 C ATOM 428 CD1 PHE A 29 11.138 -6.416 0.533 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.556 -8.515 1.429 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.512 -6.707 0.743 1.00 0.00 C ATOM 431 CE2 PHE A 29 11.929 -8.806 1.639 1.00 0.00 C ATOM 432 CZ PHE A 29 12.879 -7.896 1.292 1.00 0.00 C ATOM 0 H PHE A 29 9.296 -9.056 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 29 7.169 -7.052 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.526 -5.968 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.111 -7.617 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.847 -5.472 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.802 -9.238 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 29 13.265 -5.984 0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.220 -9.750 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.924 -8.118 1.452 1.00 0.00 H new ATOM 442 N VAL A 30 9.902 -6.950 -2.489 1.00 0.00 N ATOM 443 CA VAL A 30 10.707 -6.201 -3.438 1.00 0.00 C ATOM 444 C VAL A 30 9.800 -5.277 -4.253 1.00 0.00 C ATOM 445 O VAL A 30 10.057 -4.078 -4.351 1.00 0.00 O ATOM 446 CB VAL A 30 11.519 -7.162 -4.308 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.486 -6.733 -5.777 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.959 -7.277 -3.803 1.00 0.00 C ATOM 0 H VAL A 30 10.091 -7.952 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 30 11.426 -5.571 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 30 11.059 -8.148 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.071 -7.433 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.455 -6.727 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.908 -5.733 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.514 -7.966 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.434 -6.296 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.957 -7.651 -2.779 1.00 0.00 H new ATOM 458 N PRO A 31 8.731 -5.886 -4.832 1.00 0.00 N ATOM 459 CA PRO A 31 7.785 -5.131 -5.636 1.00 0.00 C ATOM 460 C PRO A 31 6.867 -4.284 -4.751 1.00 0.00 C ATOM 461 O PRO A 31 6.254 -3.328 -5.223 1.00 0.00 O ATOM 462 CB PRO A 31 7.032 -6.177 -6.442 1.00 0.00 C ATOM 463 CG PRO A 31 7.258 -7.498 -5.726 1.00 0.00 C ATOM 464 CD PRO A 31 8.396 -7.304 -4.737 1.00 0.00 C ATOM 0 HA PRO A 31 8.272 -4.413 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.970 -5.939 -6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.401 -6.220 -7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.352 -7.811 -5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.504 -8.283 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.092 -7.572 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.251 -7.931 -4.989 1.00 0.00 H new ATOM 472 N VAL A 32 6.802 -4.666 -3.484 1.00 0.00 N ATOM 473 CA VAL A 32 5.970 -3.954 -2.529 1.00 0.00 C ATOM 474 C VAL A 32 6.607 -2.598 -2.217 1.00 0.00 C ATOM 475 O VAL A 32 5.908 -1.593 -2.097 1.00 0.00 O ATOM 476 CB VAL A 32 5.751 -4.813 -1.283 1.00 0.00 C ATOM 477 CG1 VAL A 32 5.052 -4.013 -0.181 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.966 -6.082 -1.622 1.00 0.00 C ATOM 0 H VAL A 32 7.312 -5.460 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 32 4.984 -3.761 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 32 6.729 -5.115 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.908 -4.647 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.666 -3.154 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.083 -3.667 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.824 -6.675 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.994 -5.810 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.520 -6.667 -2.356 1.00 0.00 H new ATOM 488 N GLY A 33 7.926 -2.614 -2.093 1.00 0.00 N ATOM 489 CA GLY A 33 8.664 -1.398 -1.797 1.00 0.00 C ATOM 490 C GLY A 33 8.823 -0.534 -3.049 1.00 0.00 C ATOM 491 O GLY A 33 8.587 0.673 -3.010 1.00 0.00 O ATOM 0 H GLY A 33 8.502 -3.450 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.144 -0.832 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.646 -1.652 -1.399 1.00 0.00 H new ATOM 495 N ILE A 34 9.223 -1.185 -4.132 1.00 0.00 N ATOM 496 CA ILE A 34 9.416 -0.491 -5.394 1.00 0.00 C ATOM 497 C ILE A 34 8.078 0.081 -5.866 1.00 0.00 C ATOM 498 O ILE A 34 7.955 1.287 -6.078 1.00 0.00 O ATOM 499 CB ILE A 34 10.086 -1.413 -6.415 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.521 -1.741 -5.999 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.019 -0.813 -7.821 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.422 -0.511 -6.122 1.00 0.00 C ATOM 0 H ILE A 34 9.419 -2.186 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 34 10.096 0.352 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 34 9.536 -2.354 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.532 -2.103 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.910 -2.545 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.502 -1.488 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.977 -0.673 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.530 0.150 -7.831 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.436 -0.771 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.428 -0.166 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.044 0.283 -5.477 1.00 0.00 H new ATOM 514 N ALA A 35 7.110 -0.810 -6.018 1.00 0.00 N ATOM 515 CA ALA A 35 5.786 -0.409 -6.462 1.00 0.00 C ATOM 516 C ALA A 35 5.156 0.507 -5.410 1.00 0.00 C ATOM 517 O ALA A 35 4.709 1.608 -5.728 1.00 0.00 O ATOM 518 CB ALA A 35 4.939 -1.654 -6.733 1.00 0.00 C ATOM 0 H ALA A 35 7.216 -1.809 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 35 5.848 0.152 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.946 -1.353 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.414 -2.256 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.853 -2.241 -5.819 1.00 0.00 H new ATOM 524 N GLY A 36 5.141 0.018 -4.179 1.00 0.00 N ATOM 525 CA GLY A 36 4.574 0.779 -3.079 1.00 0.00 C ATOM 526 C GLY A 36 4.982 2.251 -3.162 1.00 0.00 C ATOM 527 O GLY A 36 4.133 3.139 -3.107 1.00 0.00 O ATOM 0 H GLY A 36 5.512 -0.896 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.487 0.698 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.908 0.358 -2.131 1.00 0.00 H new ATOM 531 N PHE A 37 6.284 2.464 -3.292 1.00 0.00 N ATOM 532 CA PHE A 37 6.815 3.813 -3.383 1.00 0.00 C ATOM 533 C PHE A 37 6.293 4.526 -4.632 1.00 0.00 C ATOM 534 O PHE A 37 5.817 5.657 -4.552 1.00 0.00 O ATOM 535 CB PHE A 37 8.337 3.689 -3.480 1.00 0.00 C ATOM 536 CG PHE A 37 9.066 3.912 -2.154 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.876 3.050 -1.120 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.905 4.973 -2.009 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.552 3.257 0.111 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.581 5.180 -0.778 1.00 0.00 C ATOM 541 CZ PHE A 37 10.391 4.318 0.256 1.00 0.00 C ATOM 0 H PHE A 37 6.986 1.725 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 37 6.508 4.392 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.587 2.698 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.704 4.410 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.210 2.207 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.057 5.658 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.400 2.572 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.247 6.023 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.906 4.475 1.192 1.00 0.00 H new ATOM 551 N ALA A 38 6.399 3.834 -5.757 1.00 0.00 N ATOM 552 CA ALA A 38 5.943 4.386 -7.021 1.00 0.00 C ATOM 553 C ALA A 38 4.515 4.911 -6.858 1.00 0.00 C ATOM 554 O ALA A 38 4.260 6.097 -7.058 1.00 0.00 O ATOM 555 CB ALA A 38 6.051 3.319 -8.113 1.00 0.00 C ATOM 0 H ALA A 38 6.794 2.896 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 38 6.570 5.225 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.709 3.733 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.089 3.001 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.432 2.462 -7.847 1.00 0.00 H new ATOM 561 N ALA A 39 3.622 4.002 -6.496 1.00 0.00 N ATOM 562 CA ALA A 39 2.227 4.358 -6.304 1.00 0.00 C ATOM 563 C ALA A 39 2.133 5.512 -5.303 1.00 0.00 C ATOM 564 O ALA A 39 1.557 6.556 -5.605 1.00 0.00 O ATOM 565 CB ALA A 39 1.442 3.126 -5.849 1.00 0.00 C ATOM 0 H ALA A 39 3.838 3.019 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 39 1.785 4.697 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.395 3.394 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.516 2.347 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.855 2.758 -4.910 1.00 0.00 H new ATOM 571 N ILE A 40 2.708 5.284 -4.131 1.00 0.00 N ATOM 572 CA ILE A 40 2.696 6.291 -3.084 1.00 0.00 C ATOM 573 C ILE A 40 2.920 7.671 -3.706 1.00 0.00 C ATOM 574 O ILE A 40 2.080 8.559 -3.574 1.00 0.00 O ATOM 575 CB ILE A 40 3.706 5.938 -1.990 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.213 4.761 -1.147 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.034 7.161 -1.131 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.384 4.028 -0.490 1.00 0.00 C ATOM 0 H ILE A 40 3.185 4.417 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 40 1.724 6.317 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 40 4.633 5.624 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.528 5.121 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.653 4.069 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.754 6.883 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.459 7.944 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.123 7.529 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.005 3.196 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.054 3.648 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.928 4.717 0.157 1.00 0.00 H new ATOM 590 N VAL A 41 4.058 7.807 -4.371 1.00 0.00 N ATOM 591 CA VAL A 41 4.403 9.063 -5.014 1.00 0.00 C ATOM 592 C VAL A 41 3.240 9.514 -5.901 1.00 0.00 C ATOM 593 O VAL A 41 2.864 10.685 -5.890 1.00 0.00 O ATOM 594 CB VAL A 41 5.718 8.914 -5.783 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.994 10.149 -6.643 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.882 8.638 -4.829 1.00 0.00 C ATOM 0 H VAL A 41 4.753 7.068 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 41 4.564 9.841 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 41 5.621 8.057 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.934 10.017 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.184 10.282 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.061 11.030 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.805 8.536 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.980 9.465 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.692 7.716 -4.280 1.00 0.00 H new ATOM 606 N ALA A 42 2.703 8.560 -6.647 1.00 0.00 N ATOM 607 CA ALA A 42 1.591 8.844 -7.538 1.00 0.00 C ATOM 608 C ALA A 42 0.459 9.497 -6.741 1.00 0.00 C ATOM 609 O ALA A 42 0.058 10.622 -7.034 1.00 0.00 O ATOM 610 CB ALA A 42 1.148 7.553 -8.230 1.00 0.00 C ATOM 0 H ALA A 42 3.017 7.590 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 42 1.892 9.544 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.314 7.766 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.979 7.145 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.835 6.827 -7.480 1.00 0.00 H new ATOM 616 N TYR A 43 -0.024 8.762 -5.750 1.00 0.00 N ATOM 617 CA TYR A 43 -1.101 9.255 -4.909 1.00 0.00 C ATOM 618 C TYR A 43 -0.795 10.663 -4.396 1.00 0.00 C ATOM 619 O TYR A 43 -1.546 11.601 -4.660 1.00 0.00 O ATOM 620 CB TYR A 43 -1.180 8.297 -3.719 1.00 0.00 C ATOM 621 CG TYR A 43 -2.519 8.331 -2.980 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.678 7.969 -3.636 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.568 8.723 -1.658 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.939 8.001 -2.940 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.828 8.755 -0.962 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.951 8.393 -1.638 1.00 0.00 C ATOM 627 OH TYR A 43 -6.142 8.423 -0.981 1.00 0.00 O ATOM 0 H TYR A 43 0.311 7.829 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.035 9.302 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.996 7.282 -4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.383 8.540 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.640 7.662 -4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.661 9.006 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.854 7.720 -3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.880 9.059 0.073 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.999 8.721 -0.058 1.00 0.00 H new ATOM 637 N GLY A 44 0.309 10.768 -3.671 1.00 0.00 N ATOM 638 CA GLY A 44 0.723 12.046 -3.118 1.00 0.00 C ATOM 639 C GLY A 44 0.666 13.147 -4.179 1.00 0.00 C ATOM 640 O GLY A 44 0.151 14.234 -3.924 1.00 0.00 O ATOM 0 H GLY A 44 0.930 9.988 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.078 12.310 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.737 11.965 -2.726 1.00 0.00 H new ATOM 644 N LEU A 45 1.203 12.827 -5.348 1.00 0.00 N ATOM 645 CA LEU A 45 1.219 13.775 -6.449 1.00 0.00 C ATOM 646 C LEU A 45 -0.209 14.240 -6.737 1.00 0.00 C ATOM 647 O LEU A 45 -0.461 15.436 -6.874 1.00 0.00 O ATOM 648 CB LEU A 45 1.927 13.172 -7.664 1.00 0.00 C ATOM 649 CG LEU A 45 3.108 13.973 -8.218 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.429 13.241 -7.975 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.899 14.305 -9.697 1.00 0.00 C ATOM 0 H LEU A 45 1.630 11.924 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 45 1.794 14.661 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.282 12.177 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.194 13.045 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 45 3.162 14.920 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.252 13.832 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.575 13.099 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.403 12.270 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.752 14.874 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.805 13.381 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.991 14.897 -9.812 1.00 0.00 H new ATOM 663 N TYR A 46 -1.108 13.269 -6.821 1.00 0.00 N ATOM 664 CA TYR A 46 -2.505 13.564 -7.090 1.00 0.00 C ATOM 665 C TYR A 46 -3.125 14.374 -5.949 1.00 0.00 C ATOM 666 O TYR A 46 -3.792 15.379 -6.187 1.00 0.00 O ATOM 667 CB TYR A 46 -3.211 12.211 -7.182 1.00 0.00 C ATOM 668 CG TYR A 46 -4.696 12.307 -7.540 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.077 12.764 -8.785 1.00 0.00 C ATOM 670 CD2 TYR A 46 -5.654 11.935 -6.619 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.474 12.854 -9.123 1.00 0.00 C ATOM 672 CE2 TYR A 46 -7.051 12.026 -6.956 1.00 0.00 C ATOM 673 CZ TYR A 46 -7.392 12.481 -8.191 1.00 0.00 C ATOM 674 OH TYR A 46 -8.711 12.566 -8.510 1.00 0.00 O ATOM 0 H TYR A 46 -0.896 12.278 -6.707 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.604 14.150 -8.003 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.706 11.599 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.111 11.695 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.327 13.054 -9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.356 11.576 -5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.786 13.209 -10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.811 11.739 -6.244 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.251 12.266 -7.750 1.00 0.00 H new ATOM 684 N LYS A 47 -2.882 13.904 -4.734 1.00 0.00 N ATOM 685 CA LYS A 47 -3.408 14.572 -3.555 1.00 0.00 C ATOM 686 C LYS A 47 -2.988 16.043 -3.578 1.00 0.00 C ATOM 687 O LYS A 47 -3.807 16.929 -3.340 1.00 0.00 O ATOM 688 CB LYS A 47 -2.984 13.830 -2.286 1.00 0.00 C ATOM 689 CG LYS A 47 -4.199 13.468 -1.430 1.00 0.00 C ATOM 690 CD LYS A 47 -4.799 12.131 -1.869 1.00 0.00 C ATOM 691 CE LYS A 47 -5.859 12.335 -2.954 1.00 0.00 C ATOM 692 NZ LYS A 47 -6.688 11.118 -3.105 1.00 0.00 N ATOM 0 H LYS A 47 -2.328 13.069 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.498 14.552 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.441 12.924 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.300 14.452 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.906 13.413 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.952 14.252 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.010 11.480 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.245 11.629 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.492 13.184 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.376 12.573 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.964 11.007 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.142 10.286 -2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.542 11.204 -2.517 1.00 0.00 H new ATOM 706 N LEU A 48 -1.713 16.257 -3.865 1.00 0.00 N ATOM 707 CA LEU A 48 -1.175 17.606 -3.921 1.00 0.00 C ATOM 708 C LEU A 48 -2.139 18.503 -4.700 1.00 0.00 C ATOM 709 O LEU A 48 -2.675 19.466 -4.154 1.00 0.00 O ATOM 710 CB LEU A 48 0.246 17.592 -4.488 1.00 0.00 C ATOM 711 CG LEU A 48 1.374 17.810 -3.477 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.726 17.407 -4.069 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.379 19.252 -2.964 1.00 0.00 C ATOM 0 H LEU A 48 -1.036 15.519 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.090 18.024 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.409 16.635 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.318 18.364 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 48 1.193 17.164 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.510 17.572 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.703 16.353 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.929 18.009 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.190 19.380 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.523 19.935 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.428 19.469 -2.478 1.00 0.00 H new ATOM 725 N LYS A 49 -2.330 18.155 -5.964 1.00 0.00 N ATOM 726 CA LYS A 49 -3.220 18.917 -6.824 1.00 0.00 C ATOM 727 C LYS A 49 -4.663 18.724 -6.354 1.00 0.00 C ATOM 728 O LYS A 49 -5.107 17.596 -6.147 1.00 0.00 O ATOM 729 CB LYS A 49 -2.996 18.546 -8.291 1.00 0.00 C ATOM 730 CG LYS A 49 -3.024 19.789 -9.182 1.00 0.00 C ATOM 731 CD LYS A 49 -1.628 20.401 -9.313 1.00 0.00 C ATOM 732 CE LYS A 49 -0.884 19.816 -10.515 1.00 0.00 C ATOM 733 NZ LYS A 49 0.480 19.392 -10.125 1.00 0.00 N ATOM 0 H LYS A 49 -1.884 17.356 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.000 19.982 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.037 18.038 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.766 17.845 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.403 19.525 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.710 20.525 -8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.710 21.482 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.058 20.215 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.436 18.964 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.827 20.558 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.971 18.997 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.010 20.212 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.419 18.668 -9.381 1.00 0.00 H new ATOM 747 N SER A 50 -5.356 19.843 -6.200 1.00 0.00 N ATOM 748 CA SER A 50 -6.740 19.811 -5.759 1.00 0.00 C ATOM 749 C SER A 50 -7.676 19.825 -6.970 1.00 0.00 C ATOM 750 O SER A 50 -7.445 20.560 -7.929 1.00 0.00 O ATOM 751 CB SER A 50 -7.051 20.990 -4.835 1.00 0.00 C ATOM 752 OG SER A 50 -6.638 20.741 -3.495 1.00 0.00 O ATOM 0 H SER A 50 -4.985 20.777 -6.373 1.00 0.00 H new ATOM 0 HA SER A 50 -6.898 18.891 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.552 21.884 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.122 21.192 -4.853 1.00 0.00 H new ATOM 0 HG SER A 50 -6.852 21.518 -2.937 1.00 0.00 H new ATOM 758 N ARG A 51 -8.712 19.004 -6.886 1.00 0.00 N ATOM 759 CA ARG A 51 -9.683 18.912 -7.963 1.00 0.00 C ATOM 760 C ARG A 51 -11.035 18.443 -7.421 1.00 0.00 C ATOM 761 O ARG A 51 -12.054 19.100 -7.630 1.00 0.00 O ATOM 762 CB ARG A 51 -9.213 17.942 -9.048 1.00 0.00 C ATOM 763 CG ARG A 51 -9.719 18.372 -10.426 1.00 0.00 C ATOM 764 CD ARG A 51 -9.618 17.223 -11.431 1.00 0.00 C ATOM 765 NE ARG A 51 -8.311 17.269 -12.123 1.00 0.00 N ATOM 766 CZ ARG A 51 -7.867 16.313 -12.967 1.00 0.00 C ATOM 767 NH1 ARG A 51 -8.625 15.228 -13.232 1.00 0.00 N ATOM 768 NH2 ARG A 51 -6.682 16.457 -13.530 1.00 0.00 N ATOM 0 H ARG A 51 -8.900 18.396 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.787 19.905 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.124 17.898 -9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.571 16.938 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.755 18.703 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.138 19.223 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.733 16.269 -10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.427 17.293 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.708 18.073 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.540 15.126 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.283 14.510 -13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.117 17.281 -13.325 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.331 15.744 -14.170 1.00 0.00 H new ATOM 782 N GLY A 52 -11.000 17.311 -6.734 1.00 0.00 N ATOM 783 CA GLY A 52 -12.210 16.746 -6.160 1.00 0.00 C ATOM 784 C GLY A 52 -11.975 16.301 -4.715 1.00 0.00 C ATOM 785 O GLY A 52 -11.275 16.975 -3.960 1.00 0.00 O ATOM 0 H GLY A 52 -10.153 16.769 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.011 17.485 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.538 15.895 -6.758 1.00 0.00 H new ATOM 789 N ASN A 53 -12.574 15.170 -4.373 1.00 0.00 N ATOM 790 CA ASN A 53 -12.439 14.627 -3.032 1.00 0.00 C ATOM 791 C ASN A 53 -10.976 14.255 -2.783 1.00 0.00 C ATOM 792 O ASN A 53 -10.376 13.520 -3.566 1.00 0.00 O ATOM 793 CB ASN A 53 -13.284 13.363 -2.862 1.00 0.00 C ATOM 794 CG ASN A 53 -12.839 12.270 -3.836 1.00 0.00 C ATOM 795 OD1 ASN A 53 -12.677 12.490 -5.025 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.650 11.083 -3.267 1.00 0.00 N ATOM 0 H ASN A 53 -13.154 14.614 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.778 15.385 -2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.198 12.999 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.335 13.599 -3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.351 10.288 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.804 10.967 -2.265 1.00 0.00 H new ATOM 803 N THR A 54 -10.444 14.779 -1.688 1.00 0.00 N ATOM 804 CA THR A 54 -9.063 14.510 -1.325 1.00 0.00 C ATOM 805 C THR A 54 -8.995 13.803 0.030 1.00 0.00 C ATOM 806 O THR A 54 -8.318 12.786 0.170 1.00 0.00 O ATOM 807 CB THR A 54 -8.299 15.836 -1.358 1.00 0.00 C ATOM 808 OG1 THR A 54 -9.166 16.752 -0.694 1.00 0.00 O ATOM 809 CG2 THR A 54 -8.171 16.403 -2.773 1.00 0.00 C ATOM 0 H THR A 54 -10.944 15.388 -1.041 1.00 0.00 H new ATOM 0 HA THR A 54 -8.593 13.829 -2.035 1.00 0.00 H new ATOM 0 HB THR A 54 -7.305 15.693 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.748 17.638 -0.668 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.621 17.344 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.636 15.692 -3.403 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.164 16.578 -3.186 1.00 0.00 H new ATOM 817 N LYS A 55 -9.705 14.370 0.993 1.00 0.00 N ATOM 818 CA LYS A 55 -9.734 13.807 2.333 1.00 0.00 C ATOM 819 C LYS A 55 -8.323 13.832 2.922 1.00 0.00 C ATOM 820 O LYS A 55 -7.341 13.678 2.197 1.00 0.00 O ATOM 821 CB LYS A 55 -10.369 12.415 2.315 1.00 0.00 C ATOM 822 CG LYS A 55 -11.761 12.439 2.949 1.00 0.00 C ATOM 823 CD LYS A 55 -12.054 11.126 3.678 1.00 0.00 C ATOM 824 CE LYS A 55 -13.398 10.542 3.238 1.00 0.00 C ATOM 825 NZ LYS A 55 -13.820 9.461 4.157 1.00 0.00 N ATOM 0 H LYS A 55 -10.265 15.214 0.873 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.363 14.411 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.439 12.057 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.732 11.714 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.831 13.271 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.513 12.607 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.258 10.409 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.063 11.298 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.154 11.327 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.317 10.153 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.734 9.076 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.106 8.705 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.917 9.842 5.120 1.00 0.00 H new ATOM 839 N MET A 56 -8.266 14.026 4.232 1.00 0.00 N ATOM 840 CA MET A 56 -6.991 14.072 4.927 1.00 0.00 C ATOM 841 C MET A 56 -6.170 15.286 4.486 1.00 0.00 C ATOM 842 O MET A 56 -6.141 15.623 3.303 1.00 0.00 O ATOM 843 CB MET A 56 -6.205 12.791 4.639 1.00 0.00 C ATOM 844 CG MET A 56 -5.814 12.085 5.938 1.00 0.00 C ATOM 845 SD MET A 56 -4.864 10.618 5.572 1.00 0.00 S ATOM 846 CE MET A 56 -4.934 9.800 7.158 1.00 0.00 C ATOM 0 H MET A 56 -9.082 14.153 4.830 1.00 0.00 H new ATOM 0 HA MET A 56 -7.184 14.157 5.996 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.806 12.122 4.024 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.309 13.031 4.067 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.231 12.758 6.567 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.709 11.818 6.500 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.386 8.859 7.107 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.485 10.440 7.918 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.973 9.601 7.419 1.00 0.00 H new ATOM 856 N SER A 57 -5.523 15.908 5.460 1.00 0.00 N ATOM 857 CA SER A 57 -4.704 17.076 5.187 1.00 0.00 C ATOM 858 C SER A 57 -3.365 16.959 5.918 1.00 0.00 C ATOM 859 O SER A 57 -2.308 16.946 5.288 1.00 0.00 O ATOM 860 CB SER A 57 -5.423 18.362 5.600 1.00 0.00 C ATOM 861 OG SER A 57 -4.663 19.525 5.282 1.00 0.00 O ATOM 0 H SER A 57 -5.549 15.625 6.440 1.00 0.00 H new ATOM 0 HA SER A 57 -4.522 17.122 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.390 18.413 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.619 18.339 6.672 1.00 0.00 H new ATOM 0 HG SER A 57 -5.157 20.325 5.560 1.00 0.00 H new ATOM 867 N ILE A 58 -3.453 16.877 7.238 1.00 0.00 N ATOM 868 CA ILE A 58 -2.261 16.761 8.061 1.00 0.00 C ATOM 869 C ILE A 58 -1.172 17.682 7.507 1.00 0.00 C ATOM 870 O ILE A 58 -0.329 17.250 6.722 1.00 0.00 O ATOM 871 CB ILE A 58 -1.829 15.298 8.176 1.00 0.00 C ATOM 872 CG1 ILE A 58 -2.935 14.448 8.807 1.00 0.00 C ATOM 873 CG2 ILE A 58 -0.507 15.175 8.936 1.00 0.00 C ATOM 874 CD1 ILE A 58 -3.059 14.734 10.305 1.00 0.00 C ATOM 0 H ILE A 58 -4.331 16.889 7.757 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.469 17.089 9.080 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.659 14.911 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.884 14.656 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.720 13.391 8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.223 14.125 9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.269 15.728 8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.625 15.584 9.939 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.852 14.117 10.729 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.115 14.502 10.799 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.298 15.787 10.456 1.00 0.00 H new ATOM 886 N HIS A 59 -1.224 18.934 7.937 1.00 0.00 N ATOM 887 CA HIS A 59 -0.253 19.919 7.494 1.00 0.00 C ATOM 888 C HIS A 59 0.664 20.296 8.659 1.00 0.00 C ATOM 889 O HIS A 59 0.191 20.600 9.753 1.00 0.00 O ATOM 890 CB HIS A 59 -0.952 21.131 6.874 1.00 0.00 C ATOM 891 CG HIS A 59 -0.160 22.413 6.972 1.00 0.00 C ATOM 892 ND1 HIS A 59 1.153 22.672 6.712 1.00 0.00 N flip ATOM 893 CD2 HIS A 59 -0.721 23.610 7.381 1.00 0.00 C flip ATOM 894 CE1 HIS A 59 1.382 23.958 6.947 1.00 0.00 C flip ATOM 895 NE2 HIS A 59 0.221 24.542 7.363 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.924 19.289 8.588 1.00 0.00 H new ATOM 0 HA HIS A 59 0.371 19.492 6.709 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.157 20.922 5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.915 21.272 7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.752 23.759 7.666 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.331 24.460 6.828 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.100 25.523 7.616 1.00 0.00 H new ATOM 903 N LEU A 60 1.960 20.263 8.385 1.00 0.00 N ATOM 904 CA LEU A 60 2.948 20.598 9.397 1.00 0.00 C ATOM 905 C LEU A 60 4.347 20.521 8.783 1.00 0.00 C ATOM 906 O LEU A 60 5.107 19.598 9.073 1.00 0.00 O ATOM 907 CB LEU A 60 2.770 19.713 10.633 1.00 0.00 C ATOM 908 CG LEU A 60 2.822 18.203 10.390 1.00 0.00 C ATOM 909 CD1 LEU A 60 3.619 17.499 11.489 1.00 0.00 C ATOM 910 CD2 LEU A 60 1.414 17.623 10.241 1.00 0.00 C ATOM 0 H LEU A 60 2.349 20.009 7.477 1.00 0.00 H new ATOM 0 HA LEU A 60 2.807 21.622 9.743 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.544 19.972 11.355 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.812 19.954 11.093 1.00 0.00 H new ATOM 0 HG LEU A 60 3.344 18.025 9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.641 16.427 11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.638 17.886 11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.147 17.682 12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.479 16.549 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.845 17.811 11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.913 18.096 9.396 1.00 0.00 H new ATOM 922 N ILE A 61 4.645 21.504 7.945 1.00 0.00 N ATOM 923 CA ILE A 61 5.940 21.559 7.288 1.00 0.00 C ATOM 924 C ILE A 61 6.095 20.342 6.374 1.00 0.00 C ATOM 925 O ILE A 61 5.978 19.204 6.824 1.00 0.00 O ATOM 926 CB ILE A 61 7.060 21.700 8.320 1.00 0.00 C ATOM 927 CG1 ILE A 61 6.891 22.980 9.141 1.00 0.00 C ATOM 928 CG2 ILE A 61 8.434 21.624 7.652 1.00 0.00 C ATOM 929 CD1 ILE A 61 7.246 24.215 8.310 1.00 0.00 C ATOM 0 H ILE A 61 4.012 22.268 7.706 1.00 0.00 H new ATOM 0 HA ILE A 61 6.009 22.444 6.656 1.00 0.00 H new ATOM 0 HB ILE A 61 6.993 20.862 9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.862 23.057 9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.528 22.936 10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.212 21.727 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.541 20.663 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.529 22.428 6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.117 25.111 8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.283 24.146 7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.591 24.269 7.440 1.00 0.00 H new ATOM 941 N HIS A 62 6.357 20.624 5.106 1.00 0.00 N ATOM 942 CA HIS A 62 6.530 19.567 4.124 1.00 0.00 C ATOM 943 C HIS A 62 5.448 18.503 4.320 1.00 0.00 C ATOM 944 O HIS A 62 5.755 17.337 4.561 1.00 0.00 O ATOM 945 CB HIS A 62 7.946 18.991 4.190 1.00 0.00 C ATOM 946 CG HIS A 62 9.014 19.928 3.678 1.00 0.00 C ATOM 947 ND1 HIS A 62 9.233 21.183 4.219 1.00 0.00 N ATOM 948 CD2 HIS A 62 9.922 19.779 2.671 1.00 0.00 C ATOM 949 CE1 HIS A 62 10.229 21.755 3.558 1.00 0.00 C ATOM 950 NE2 HIS A 62 10.654 20.883 2.599 1.00 0.00 N ATOM 0 H HIS A 62 6.454 21.570 4.736 1.00 0.00 H new ATOM 0 HA HIS A 62 6.412 19.975 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.173 18.728 5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 62 7.979 18.068 3.612 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.027 18.909 2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.633 22.739 3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.410 21.052 1.936 1.00 0.00 H new ATOM 958 N MET A 63 4.203 18.943 4.209 1.00 0.00 N ATOM 959 CA MET A 63 3.074 18.044 4.371 1.00 0.00 C ATOM 960 C MET A 63 2.906 17.149 3.141 1.00 0.00 C ATOM 961 O MET A 63 1.863 17.174 2.489 1.00 0.00 O ATOM 962 CB MET A 63 1.798 18.860 4.587 1.00 0.00 C ATOM 963 CG MET A 63 1.496 19.737 3.371 1.00 0.00 C ATOM 964 SD MET A 63 -0.258 19.739 3.040 1.00 0.00 S ATOM 965 CE MET A 63 -0.337 18.482 1.775 1.00 0.00 C ATOM 0 H MET A 63 3.952 19.911 4.009 1.00 0.00 H new ATOM 0 HA MET A 63 3.260 17.409 5.237 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.960 18.189 4.773 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.908 19.486 5.473 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.841 20.755 3.552 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.038 19.366 2.501 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.262 18.593 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.514 18.588 1.103 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.312 17.496 2.239 1.00 0.00 H new ATOM 975 N ARG A 64 3.947 16.378 2.863 1.00 0.00 N ATOM 976 CA ARG A 64 3.928 15.477 1.723 1.00 0.00 C ATOM 977 C ARG A 64 4.856 14.287 1.973 1.00 0.00 C ATOM 978 O ARG A 64 4.394 13.159 2.139 1.00 0.00 O ATOM 979 CB ARG A 64 4.363 16.196 0.445 1.00 0.00 C ATOM 980 CG ARG A 64 3.887 15.441 -0.798 1.00 0.00 C ATOM 981 CD ARG A 64 5.051 14.719 -1.480 1.00 0.00 C ATOM 982 NE ARG A 64 5.220 15.225 -2.861 1.00 0.00 N ATOM 983 CZ ARG A 64 5.912 16.339 -3.180 1.00 0.00 C ATOM 984 NH1 ARG A 64 6.508 17.075 -2.217 1.00 0.00 N ATOM 985 NH2 ARG A 64 5.999 16.698 -4.447 1.00 0.00 N ATOM 0 H ARG A 64 4.809 16.359 3.408 1.00 0.00 H new ATOM 0 HA ARG A 64 2.905 15.124 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.958 17.208 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.449 16.287 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.120 14.719 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.427 16.139 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.969 14.874 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.864 13.645 -1.497 1.00 0.00 H new ATOM 0 HE ARG A 64 4.786 14.699 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.437 16.790 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.029 17.916 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.547 16.136 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.518 17.537 -4.705 1.00 0.00 H new ATOM 999 N VAL A 65 6.148 14.578 1.990 1.00 0.00 N ATOM 1000 CA VAL A 65 7.145 13.546 2.216 1.00 0.00 C ATOM 1001 C VAL A 65 7.065 13.075 3.670 1.00 0.00 C ATOM 1002 O VAL A 65 7.091 11.875 3.939 1.00 0.00 O ATOM 1003 CB VAL A 65 8.532 14.065 1.831 1.00 0.00 C ATOM 1004 CG1 VAL A 65 8.947 15.236 2.724 1.00 0.00 C ATOM 1005 CG2 VAL A 65 9.571 12.942 1.881 1.00 0.00 C ATOM 0 H VAL A 65 6.528 15.514 1.851 1.00 0.00 H new ATOM 0 HA VAL A 65 6.949 12.681 1.583 1.00 0.00 H new ATOM 0 HB VAL A 65 8.481 14.429 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.936 15.586 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.228 16.048 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.973 14.909 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.548 13.338 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.618 12.535 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.288 12.153 1.185 1.00 0.00 H new ATOM 1015 N ALA A 66 6.970 14.044 4.568 1.00 0.00 N ATOM 1016 CA ALA A 66 6.886 13.744 5.987 1.00 0.00 C ATOM 1017 C ALA A 66 5.792 12.700 6.219 1.00 0.00 C ATOM 1018 O ALA A 66 6.064 11.613 6.726 1.00 0.00 O ATOM 1019 CB ALA A 66 6.635 15.036 6.768 1.00 0.00 C ATOM 0 H ALA A 66 6.949 15.038 4.340 1.00 0.00 H new ATOM 0 HA ALA A 66 7.825 13.323 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.572 14.811 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.455 15.733 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.699 15.486 6.436 1.00 0.00 H new ATOM 1025 N ALA A 67 4.578 13.067 5.837 1.00 0.00 N ATOM 1026 CA ALA A 67 3.442 12.176 5.997 1.00 0.00 C ATOM 1027 C ALA A 67 3.768 10.822 5.364 1.00 0.00 C ATOM 1028 O ALA A 67 3.229 9.795 5.774 1.00 0.00 O ATOM 1029 CB ALA A 67 2.196 12.821 5.386 1.00 0.00 C ATOM 0 H ALA A 67 4.356 13.970 5.417 1.00 0.00 H new ATOM 0 HA ALA A 67 3.235 12.005 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.344 12.152 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.990 13.765 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.365 13.006 4.325 1.00 0.00 H new ATOM 1035 N GLN A 68 4.648 10.864 4.374 1.00 0.00 N ATOM 1036 CA GLN A 68 5.052 9.653 3.680 1.00 0.00 C ATOM 1037 C GLN A 68 5.906 8.776 4.597 1.00 0.00 C ATOM 1038 O GLN A 68 5.753 7.556 4.614 1.00 0.00 O ATOM 1039 CB GLN A 68 5.799 9.986 2.387 1.00 0.00 C ATOM 1040 CG GLN A 68 5.092 9.380 1.173 1.00 0.00 C ATOM 1041 CD GLN A 68 6.099 8.754 0.207 1.00 0.00 C ATOM 1042 OE1 GLN A 68 6.145 9.343 -0.984 1.00 0.00 O flip ATOM 1043 NE2 GLN A 68 6.790 7.799 0.523 1.00 0.00 N flip ATOM 0 H GLN A 68 5.092 11.718 4.036 1.00 0.00 H new ATOM 0 HA GLN A 68 4.155 9.096 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.867 11.068 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.819 9.607 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.380 8.623 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.520 10.152 0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.705 7.394 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.453 7.406 -0.145 1.00 0.00 H new ATOM 1052 N GLY A 69 6.788 9.432 5.337 1.00 0.00 N ATOM 1053 CA GLY A 69 7.667 8.727 6.254 1.00 0.00 C ATOM 1054 C GLY A 69 6.874 8.109 7.408 1.00 0.00 C ATOM 1055 O GLY A 69 7.094 6.954 7.769 1.00 0.00 O ATOM 0 H GLY A 69 6.913 10.444 5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.206 7.945 5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.414 9.415 6.649 1.00 0.00 H new ATOM 1059 N PHE A 70 5.969 8.907 7.955 1.00 0.00 N ATOM 1060 CA PHE A 70 5.142 8.454 9.061 1.00 0.00 C ATOM 1061 C PHE A 70 4.273 7.265 8.644 1.00 0.00 C ATOM 1062 O PHE A 70 4.245 6.243 9.328 1.00 0.00 O ATOM 1063 CB PHE A 70 4.234 9.622 9.449 1.00 0.00 C ATOM 1064 CG PHE A 70 4.022 9.770 10.957 1.00 0.00 C ATOM 1065 CD1 PHE A 70 3.159 8.944 11.607 1.00 0.00 C ATOM 1066 CD2 PHE A 70 4.695 10.729 11.648 1.00 0.00 C ATOM 1067 CE1 PHE A 70 2.961 9.081 13.006 1.00 0.00 C ATOM 1068 CE2 PHE A 70 4.498 10.866 13.048 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.635 10.039 13.697 1.00 0.00 C ATOM 0 H PHE A 70 5.790 9.865 7.653 1.00 0.00 H new ATOM 0 HA PHE A 70 5.773 8.136 9.891 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.661 10.546 9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.265 9.491 8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.624 8.183 11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.379 11.386 11.132 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.275 8.425 13.521 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.033 11.627 13.597 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.485 10.143 14.761 1.00 0.00 H new ATOM 1079 N VAL A 71 3.586 7.439 7.525 1.00 0.00 N ATOM 1080 CA VAL A 71 2.719 6.393 7.010 1.00 0.00 C ATOM 1081 C VAL A 71 3.568 5.188 6.600 1.00 0.00 C ATOM 1082 O VAL A 71 3.154 4.044 6.778 1.00 0.00 O ATOM 1083 CB VAL A 71 1.864 6.940 5.864 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.157 8.232 6.276 1.00 0.00 C ATOM 1085 CG2 VAL A 71 2.707 7.153 4.605 1.00 0.00 C ATOM 0 H VAL A 71 3.612 8.288 6.961 1.00 0.00 H new ATOM 0 HA VAL A 71 2.028 6.055 7.782 1.00 0.00 H new ATOM 0 HB VAL A 71 1.099 6.199 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.556 8.599 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.510 8.036 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.900 8.983 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.076 7.542 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.504 7.865 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.142 6.203 4.294 1.00 0.00 H new ATOM 1095 N VAL A 72 4.740 5.487 6.059 1.00 0.00 N ATOM 1096 CA VAL A 72 5.651 4.442 5.622 1.00 0.00 C ATOM 1097 C VAL A 72 5.941 3.502 6.794 1.00 0.00 C ATOM 1098 O VAL A 72 5.823 2.285 6.662 1.00 0.00 O ATOM 1099 CB VAL A 72 6.916 5.066 5.029 1.00 0.00 C ATOM 1100 CG1 VAL A 72 8.124 4.149 5.229 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.720 5.399 3.548 1.00 0.00 C ATOM 0 H VAL A 72 5.080 6.438 5.913 1.00 0.00 H new ATOM 0 HA VAL A 72 5.197 3.845 4.831 1.00 0.00 H new ATOM 0 HB VAL A 72 7.111 5.998 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.010 4.616 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.282 3.983 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.941 3.194 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.634 5.841 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.489 4.487 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.898 6.106 3.440 1.00 0.00 H new ATOM 1111 N GLY A 73 6.314 4.103 7.915 1.00 0.00 N ATOM 1112 CA GLY A 73 6.621 3.334 9.109 1.00 0.00 C ATOM 1113 C GLY A 73 5.398 2.548 9.585 1.00 0.00 C ATOM 1114 O GLY A 73 5.460 1.329 9.738 1.00 0.00 O ATOM 0 H GLY A 73 6.410 5.113 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.441 2.647 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.958 4.004 9.900 1.00 0.00 H new ATOM 1118 N ALA A 74 4.314 3.278 9.806 1.00 0.00 N ATOM 1119 CA ALA A 74 3.079 2.664 10.261 1.00 0.00 C ATOM 1120 C ALA A 74 2.784 1.428 9.410 1.00 0.00 C ATOM 1121 O ALA A 74 2.496 0.357 9.942 1.00 0.00 O ATOM 1122 CB ALA A 74 1.947 3.692 10.207 1.00 0.00 C ATOM 0 H ALA A 74 4.266 4.289 9.678 1.00 0.00 H new ATOM 0 HA ALA A 74 3.173 2.336 11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.020 3.231 10.549 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.191 4.536 10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.822 4.042 9.182 1.00 0.00 H new ATOM 1128 N MET A 75 2.867 1.617 8.101 1.00 0.00 N ATOM 1129 CA MET A 75 2.613 0.530 7.170 1.00 0.00 C ATOM 1130 C MET A 75 3.609 -0.613 7.376 1.00 0.00 C ATOM 1131 O MET A 75 3.212 -1.748 7.633 1.00 0.00 O ATOM 1132 CB MET A 75 2.723 1.051 5.735 1.00 0.00 C ATOM 1133 CG MET A 75 1.523 0.605 4.897 1.00 0.00 C ATOM 1134 SD MET A 75 1.788 -1.050 4.284 1.00 0.00 S ATOM 1135 CE MET A 75 1.122 -0.881 2.637 1.00 0.00 C ATOM 0 H MET A 75 3.107 2.506 7.663 1.00 0.00 H new ATOM 0 HA MET A 75 1.608 0.148 7.352 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.781 2.139 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.644 0.686 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.616 0.637 5.500 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.376 1.291 4.063 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.209 -1.831 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.072 -0.594 2.697 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.678 -0.115 2.097 1.00 0.00 H new ATOM 1145 N THR A 76 4.884 -0.273 7.257 1.00 0.00 N ATOM 1146 CA THR A 76 5.940 -1.256 7.427 1.00 0.00 C ATOM 1147 C THR A 76 5.593 -2.220 8.564 1.00 0.00 C ATOM 1148 O THR A 76 5.690 -3.436 8.403 1.00 0.00 O ATOM 1149 CB THR A 76 7.255 -0.505 7.648 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.591 -0.007 6.356 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.413 -1.442 7.998 1.00 0.00 C ATOM 0 H THR A 76 5.210 0.670 7.045 1.00 0.00 H new ATOM 0 HA THR A 76 6.049 -1.877 6.538 1.00 0.00 H new ATOM 0 HB THR A 76 7.126 0.226 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.085 0.814 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.322 -0.858 8.144 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.178 -1.984 8.914 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.565 -2.152 7.185 1.00 0.00 H new ATOM 1159 N VAL A 77 5.196 -1.641 9.687 1.00 0.00 N ATOM 1160 CA VAL A 77 4.834 -2.434 10.850 1.00 0.00 C ATOM 1161 C VAL A 77 3.604 -3.282 10.521 1.00 0.00 C ATOM 1162 O VAL A 77 3.594 -4.488 10.764 1.00 0.00 O ATOM 1163 CB VAL A 77 4.624 -1.521 12.060 1.00 0.00 C ATOM 1164 CG1 VAL A 77 4.029 -2.298 13.236 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.931 -0.835 12.462 1.00 0.00 C ATOM 0 H VAL A 77 5.117 -0.632 9.817 1.00 0.00 H new ATOM 0 HA VAL A 77 5.641 -3.119 11.112 1.00 0.00 H new ATOM 0 HB VAL A 77 3.912 -0.746 11.776 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.890 -1.626 14.083 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.067 -2.719 12.945 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.706 -3.104 13.520 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.754 -0.192 13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.674 -1.590 12.719 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.297 -0.234 11.630 1.00 0.00 H new ATOM 1175 N GLY A 78 2.596 -2.618 9.973 1.00 0.00 N ATOM 1176 CA GLY A 78 1.364 -3.296 9.608 1.00 0.00 C ATOM 1177 C GLY A 78 1.652 -4.549 8.778 1.00 0.00 C ATOM 1178 O GLY A 78 1.069 -5.605 9.019 1.00 0.00 O ATOM 0 H GLY A 78 2.608 -1.618 9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.815 -3.571 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.726 -2.618 9.040 1.00 0.00 H new ATOM 1182 N MET A 79 2.552 -4.390 7.819 1.00 0.00 N ATOM 1183 CA MET A 79 2.925 -5.495 6.952 1.00 0.00 C ATOM 1184 C MET A 79 3.631 -6.599 7.743 1.00 0.00 C ATOM 1185 O MET A 79 3.269 -7.770 7.641 1.00 0.00 O ATOM 1186 CB MET A 79 3.852 -4.987 5.846 1.00 0.00 C ATOM 1187 CG MET A 79 3.997 -6.025 4.732 1.00 0.00 C ATOM 1188 SD MET A 79 5.450 -7.024 5.014 1.00 0.00 S ATOM 1189 CE MET A 79 6.056 -7.168 3.341 1.00 0.00 C ATOM 0 H MET A 79 3.034 -3.513 7.623 1.00 0.00 H new ATOM 0 HA MET A 79 2.017 -5.911 6.515 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.457 -4.059 5.434 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.832 -4.758 6.265 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.111 -6.659 4.697 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.071 -5.526 3.766 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.915 -7.839 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.269 -7.568 2.702 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.355 -6.185 2.976 1.00 0.00 H new ATOM 1199 N GLY A 80 4.625 -6.185 8.515 1.00 0.00 N ATOM 1200 CA GLY A 80 5.385 -7.124 9.323 1.00 0.00 C ATOM 1201 C GLY A 80 4.455 -8.026 10.136 1.00 0.00 C ATOM 1202 O GLY A 80 4.709 -9.222 10.275 1.00 0.00 O ATOM 0 H GLY A 80 4.922 -5.213 8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.018 -7.734 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.047 -6.578 9.995 1.00 0.00 H new ATOM 1206 N TYR A 81 3.396 -7.419 10.652 1.00 0.00 N ATOM 1207 CA TYR A 81 2.426 -8.152 11.447 1.00 0.00 C ATOM 1208 C TYR A 81 1.355 -8.786 10.558 1.00 0.00 C ATOM 1209 O TYR A 81 0.669 -9.719 10.974 1.00 0.00 O ATOM 1210 CB TYR A 81 1.766 -7.121 12.364 1.00 0.00 C ATOM 1211 CG TYR A 81 0.517 -7.636 13.083 1.00 0.00 C ATOM 1212 CD1 TYR A 81 0.643 -8.363 14.249 1.00 0.00 C ATOM 1213 CD2 TYR A 81 -0.735 -7.373 12.565 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -0.532 -8.847 14.926 1.00 0.00 C ATOM 1215 CE2 TYR A 81 -1.910 -7.858 13.241 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.751 -8.571 14.388 1.00 0.00 C ATOM 1217 OH TYR A 81 -2.861 -9.029 15.027 1.00 0.00 O ATOM 0 H TYR A 81 3.189 -6.427 10.535 1.00 0.00 H new ATOM 0 HA TYR A 81 2.913 -8.954 12.002 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.492 -6.794 13.108 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.498 -6.244 11.774 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.623 -8.569 14.654 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.833 -6.803 11.653 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.448 -9.416 15.840 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.896 -7.660 12.846 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.660 -8.756 14.530 1.00 0.00 H new ATOM 1227 N SER A 82 1.244 -8.255 9.349 1.00 0.00 N ATOM 1228 CA SER A 82 0.268 -8.757 8.398 1.00 0.00 C ATOM 1229 C SER A 82 -1.036 -9.103 9.119 1.00 0.00 C ATOM 1230 O SER A 82 -1.221 -10.233 9.567 1.00 0.00 O ATOM 1231 CB SER A 82 0.803 -9.982 7.654 1.00 0.00 C ATOM 1232 OG SER A 82 1.008 -9.718 6.268 1.00 0.00 O ATOM 0 H SER A 82 1.814 -7.482 9.007 1.00 0.00 H new ATOM 0 HA SER A 82 0.074 -7.975 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.743 -10.298 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.102 -10.809 7.766 1.00 0.00 H new ATOM 0 HG SER A 82 1.351 -10.524 5.829 1.00 0.00 H new ATOM 1238 N MET A 83 -1.907 -8.108 9.209 1.00 0.00 N ATOM 1239 CA MET A 83 -3.189 -8.293 9.868 1.00 0.00 C ATOM 1240 C MET A 83 -3.915 -9.523 9.320 1.00 0.00 C ATOM 1241 O MET A 83 -3.546 -10.051 8.272 1.00 0.00 O ATOM 1242 CB MET A 83 -4.057 -7.051 9.654 1.00 0.00 C ATOM 1243 CG MET A 83 -4.425 -6.887 8.178 1.00 0.00 C ATOM 1244 SD MET A 83 -3.580 -5.472 7.492 1.00 0.00 S ATOM 1245 CE MET A 83 -3.611 -5.902 5.760 1.00 0.00 C ATOM 0 H MET A 83 -1.750 -7.171 8.837 1.00 0.00 H new ATOM 0 HA MET A 83 -3.010 -8.444 10.933 1.00 0.00 H new ATOM 0 HB2 MET A 83 -4.965 -7.130 10.252 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.523 -6.166 10.000 1.00 0.00 H new ATOM 0 HG2 MET A 83 -4.154 -7.786 7.625 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.503 -6.762 8.075 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.120 -5.119 5.182 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.087 -6.846 5.610 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.644 -6.004 5.429 1.00 0.00 H new ATOM 1255 N TYR A 84 -4.933 -9.945 10.055 1.00 0.00 N ATOM 1256 CA TYR A 84 -5.714 -11.104 9.657 1.00 0.00 C ATOM 1257 C TYR A 84 -4.810 -12.309 9.389 1.00 0.00 C ATOM 1258 O TYR A 84 -3.591 -12.218 9.529 1.00 0.00 O ATOM 1259 CB TYR A 84 -6.418 -10.711 8.356 1.00 0.00 C ATOM 1260 CG TYR A 84 -7.685 -9.878 8.562 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -7.589 -8.572 8.997 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -8.924 -10.432 8.312 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -8.781 -7.788 9.191 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -10.116 -9.648 8.505 1.00 0.00 C ATOM 1265 CZ TYR A 84 -9.986 -8.364 8.935 1.00 0.00 C ATOM 1266 OH TYR A 84 -11.112 -7.624 9.118 1.00 0.00 O ATOM 0 H TYR A 84 -5.235 -9.505 10.924 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.414 -11.384 10.444 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.722 -10.148 7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.676 -11.616 7.806 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.620 -8.138 9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.999 -11.454 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.719 -6.765 9.532 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.091 -10.070 8.313 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.899 -8.165 8.895 1.00 0.00 H new ATOM 1276 N ARG A 85 -5.442 -13.410 9.009 1.00 0.00 N ATOM 1277 CA ARG A 85 -4.710 -14.631 8.720 1.00 0.00 C ATOM 1278 C ARG A 85 -3.948 -15.100 9.962 1.00 0.00 C ATOM 1279 O ARG A 85 -3.031 -14.423 10.424 1.00 0.00 O ATOM 1280 CB ARG A 85 -3.720 -14.422 7.573 1.00 0.00 C ATOM 1281 CG ARG A 85 -4.451 -14.077 6.274 1.00 0.00 C ATOM 1282 CD ARG A 85 -3.548 -14.301 5.060 1.00 0.00 C ATOM 1283 NE ARG A 85 -3.773 -13.236 4.058 1.00 0.00 N ATOM 1284 CZ ARG A 85 -4.744 -13.271 3.121 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -5.590 -14.321 3.049 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -4.854 -12.263 2.275 1.00 0.00 N ATOM 0 H ARG A 85 -6.453 -13.482 8.895 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.435 -15.390 8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.026 -13.621 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.126 -15.325 7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.347 -14.691 6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.778 -13.038 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.503 -14.305 5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.754 -15.276 4.619 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.156 -12.424 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.498 -15.096 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.321 -14.339 2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.211 -11.474 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.582 -12.274 1.561 1.00 0.00 H new ATOM 1300 N GLU A 86 -4.357 -16.254 10.467 1.00 0.00 N ATOM 1301 CA GLU A 86 -3.726 -16.821 11.647 1.00 0.00 C ATOM 1302 C GLU A 86 -2.206 -16.662 11.563 1.00 0.00 C ATOM 1303 O GLU A 86 -1.529 -17.465 10.924 1.00 0.00 O ATOM 1304 CB GLU A 86 -4.114 -18.290 11.824 1.00 0.00 C ATOM 1305 CG GLU A 86 -4.936 -18.489 13.099 1.00 0.00 C ATOM 1306 CD GLU A 86 -6.436 -18.456 12.795 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -6.943 -19.332 12.080 1.00 0.00 O ATOM 1308 OE2 GLU A 86 -7.079 -17.475 13.333 1.00 0.00 O ATOM 0 H GLU A 86 -5.118 -16.812 10.081 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.082 -16.278 12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.689 -18.625 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.215 -18.905 11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.675 -19.442 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.690 -17.709 13.820 1.00 0.00 H new ATOM 1315 N PHE A 87 -1.715 -15.620 12.218 1.00 0.00 N ATOM 1316 CA PHE A 87 -0.289 -15.345 12.225 1.00 0.00 C ATOM 1317 C PHE A 87 0.424 -16.173 13.297 1.00 0.00 C ATOM 1318 O PHE A 87 -0.224 -16.802 14.132 1.00 0.00 O ATOM 1319 CB PHE A 87 -0.121 -13.859 12.550 1.00 0.00 C ATOM 1320 CG PHE A 87 -0.163 -13.541 14.046 1.00 0.00 C ATOM 1321 CD1 PHE A 87 -1.358 -13.459 14.691 1.00 0.00 C ATOM 1322 CD2 PHE A 87 0.994 -13.341 14.732 1.00 0.00 C ATOM 1323 CE1 PHE A 87 -1.398 -13.164 16.079 1.00 0.00 C ATOM 1324 CE2 PHE A 87 0.955 -13.045 16.121 1.00 0.00 C ATOM 1325 CZ PHE A 87 -0.240 -12.964 16.765 1.00 0.00 C ATOM 0 H PHE A 87 -2.280 -14.956 12.748 1.00 0.00 H new ATOM 0 HA PHE A 87 0.144 -15.601 11.258 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.829 -13.513 12.142 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.908 -13.296 12.047 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.277 -13.618 14.147 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.943 -13.407 14.221 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.347 -13.098 16.590 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.874 -12.884 16.665 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.270 -12.741 17.821 1.00 0.00 H new ATOM 1335 N TRP A 88 1.747 -16.147 13.237 1.00 0.00 N ATOM 1336 CA TRP A 88 2.554 -16.887 14.192 1.00 0.00 C ATOM 1337 C TRP A 88 3.795 -16.051 14.511 1.00 0.00 C ATOM 1338 O TRP A 88 3.912 -15.500 15.604 1.00 0.00 O ATOM 1339 CB TRP A 88 2.893 -18.281 13.659 1.00 0.00 C ATOM 1340 CG TRP A 88 1.781 -19.312 13.863 1.00 0.00 C ATOM 1341 CD1 TRP A 88 0.950 -19.434 14.907 1.00 0.00 C ATOM 1342 CD2 TRP A 88 1.411 -20.369 12.953 1.00 0.00 C ATOM 1343 NE1 TRP A 88 0.075 -20.487 14.737 1.00 0.00 N ATOM 1344 CE2 TRP A 88 0.365 -21.074 13.511 1.00 0.00 C ATOM 1345 CE3 TRP A 88 1.944 -20.718 11.699 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 -0.240 -22.172 12.886 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 1.329 -21.817 11.088 1.00 0.00 C ATOM 1348 CH2 TRP A 88 0.274 -22.537 11.636 1.00 0.00 C ATOM 0 H TRP A 88 2.280 -15.625 12.542 1.00 0.00 H new ATOM 0 HA TRP A 88 2.001 -17.055 15.116 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.116 -18.208 12.595 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.799 -18.636 14.150 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.963 -18.789 15.773 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -0.651 -20.781 15.391 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.763 -20.181 11.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.058 -22.708 13.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.701 -22.127 10.123 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.147 -23.374 11.100 1.00 0.00 H new ATOM 1359 N ALA A 89 4.690 -15.983 13.536 1.00 0.00 N ATOM 1360 CA ALA A 89 5.918 -15.224 13.699 1.00 0.00 C ATOM 1361 C ALA A 89 6.620 -15.101 12.346 1.00 0.00 C ATOM 1362 O ALA A 89 6.188 -15.699 11.362 1.00 0.00 O ATOM 1363 CB ALA A 89 6.799 -15.897 14.754 1.00 0.00 C ATOM 0 H ALA A 89 4.589 -16.441 12.630 1.00 0.00 H new ATOM 0 HA ALA A 89 5.701 -14.215 14.051 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.720 -15.327 14.876 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.266 -15.933 15.704 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.039 -16.911 14.434 1.00 0.00 H new ATOM 1369 N LYS A 90 7.692 -14.321 12.339 1.00 0.00 N ATOM 1370 CA LYS A 90 8.458 -14.112 11.123 1.00 0.00 C ATOM 1371 C LYS A 90 9.499 -15.225 10.983 1.00 0.00 C ATOM 1372 O LYS A 90 9.917 -15.817 11.977 1.00 0.00 O ATOM 1373 CB LYS A 90 9.056 -12.704 11.102 1.00 0.00 C ATOM 1374 CG LYS A 90 10.001 -12.492 12.286 1.00 0.00 C ATOM 1375 CD LYS A 90 11.268 -11.752 11.851 1.00 0.00 C ATOM 1376 CE LYS A 90 11.331 -10.358 12.477 1.00 0.00 C ATOM 1377 NZ LYS A 90 11.465 -10.455 13.947 1.00 0.00 N ATOM 0 H LYS A 90 8.048 -13.826 13.157 1.00 0.00 H new ATOM 0 HA LYS A 90 7.809 -14.171 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.597 -12.549 10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.256 -11.965 11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.492 -11.923 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.269 -13.456 12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.147 -12.326 12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.289 -11.668 10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.175 -9.806 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.430 -9.799 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.918 -9.593 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.523 -10.559 14.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.048 -11.281 14.189 1.00 0.00 H new ATOM 1391 N PRO A 91 9.898 -15.482 9.709 1.00 0.00 N ATOM 1392 CA PRO A 91 10.883 -16.513 9.427 1.00 0.00 C ATOM 1393 C PRO A 91 12.289 -16.048 9.810 1.00 0.00 C ATOM 1394 O PRO A 91 12.915 -16.622 10.700 1.00 0.00 O ATOM 1395 CB PRO A 91 10.737 -16.800 7.941 1.00 0.00 C ATOM 1396 CG PRO A 91 10.008 -15.602 7.355 1.00 0.00 C ATOM 1397 CD PRO A 91 9.425 -14.801 8.508 1.00 0.00 C ATOM 0 HA PRO A 91 10.723 -17.419 10.012 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.712 -16.932 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.175 -17.719 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.693 -14.987 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.218 -15.929 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.763 -13.765 8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.336 -14.782 8.466 1.00 0.00 H new ATOM 1405 N LYS A 92 12.744 -15.012 9.120 1.00 0.00 N ATOM 1406 CA LYS A 92 14.065 -14.464 9.377 1.00 0.00 C ATOM 1407 C LYS A 92 15.075 -15.607 9.485 1.00 0.00 C ATOM 1408 O LYS A 92 15.558 -15.914 10.573 1.00 0.00 O ATOM 1409 CB LYS A 92 14.036 -13.551 10.605 1.00 0.00 C ATOM 1410 CG LYS A 92 15.344 -12.769 10.738 1.00 0.00 C ATOM 1411 CD LYS A 92 16.088 -13.157 12.017 1.00 0.00 C ATOM 1412 CE LYS A 92 17.601 -13.035 11.830 1.00 0.00 C ATOM 1413 NZ LYS A 92 18.276 -12.894 13.140 1.00 0.00 N ATOM 0 H LYS A 92 12.221 -14.538 8.383 1.00 0.00 H new ATOM 0 HA LYS A 92 14.384 -13.834 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.199 -12.857 10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.872 -14.148 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.977 -12.963 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.133 -11.700 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.767 -12.516 12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.834 -14.180 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.981 -13.915 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.827 -12.173 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.303 -12.812 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.926 -12.041 13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.075 -13.729 13.726 1.00 0.00 H new ATOM 1427 N PRO A 93 15.373 -16.223 8.309 1.00 0.00 N ATOM 1428 CA PRO A 93 16.318 -17.326 8.260 1.00 0.00 C ATOM 1429 C PRO A 93 17.756 -16.824 8.401 1.00 0.00 C ATOM 1430 O PRO A 93 18.255 -16.663 9.514 1.00 0.00 O ATOM 1431 CB PRO A 93 16.055 -18.010 6.929 1.00 0.00 C ATOM 1432 CG PRO A 93 15.302 -16.998 6.081 1.00 0.00 C ATOM 1433 CD PRO A 93 14.821 -15.887 7.000 1.00 0.00 C ATOM 0 HA PRO A 93 16.190 -18.027 9.085 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.989 -18.303 6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.468 -18.918 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 93 15.949 -16.596 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.458 -17.472 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.172 -14.913 6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.732 -15.841 7.029 1.00 0.00 H new TER 1441 PRO A 93