USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 77 GLN : amide:sc= 0.671 K(o=1.1,f=0.35) USER MOD Set 1.2: A 80 CYS SG : rot -5:sc= 0.445 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -159:sc= 1.17 (180deg=-0.247) USER MOD Set 3.1: A 12 ASN :FLIP amide:sc= 0.441 F(o=0.29,f=0.85) USER MOD Set 3.2: A 16 ASN :FLIP amide:sc= 0.41 F(o=-0.3,f=0.85) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0634 F(o=-0.88,f=-0.063) USER MOD Single : A 8 HIS : no HE2:sc= -0.547 K(o=-0.55,f=-5.2!) USER MOD Single : A 10 ASN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.19) USER MOD Single : A 18 THR OG1 : rot -2:sc= -3.65! USER MOD Single : A 20 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.12) USER MOD Single : A 23 MET CE :methyl 154:sc= -1.34 (180deg=-2.88!) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0.983 (180deg=0.914) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 56:sc= 0.631 USER MOD Single : A 41 LYS NZ :NH3+ -170:sc=-0.00565 (180deg=-0.0992) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.584 F(o=-1.5!,f=-0.58) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -155:sc= -3.51 (180deg=-6.55!) USER MOD Single : A 55 GLN : amide:sc= -0.301 K(o=-0.3,f=-1.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.49) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.163 F(o=-1.5!,f=-0.16) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 2.14 (180deg=1.92) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 82 MET CE :methyl 144:sc= -2.68 (180deg=-7.51!) USER MOD Single : A 84 MET CE :methyl 141:sc= -0.112 (180deg=-0.614) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 6.558 -7.326 2.900 1.00 0.00 N ATOM 2 CA GLY A 5 5.828 -8.413 2.289 1.00 0.00 C ATOM 3 C GLY A 5 4.991 -9.171 3.294 1.00 0.00 C ATOM 4 O GLY A 5 4.242 -8.564 4.062 1.00 0.00 O ATOM 0 HA2 GLY A 5 5.183 -8.020 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.530 -9.098 1.812 1.00 0.00 H new ATOM 8 N GLN A 6 5.141 -10.496 3.299 1.00 0.00 N ATOM 9 CA GLN A 6 4.349 -11.374 4.157 1.00 0.00 C ATOM 10 C GLN A 6 2.866 -11.213 3.843 1.00 0.00 C ATOM 11 O GLN A 6 2.166 -10.397 4.451 1.00 0.00 O ATOM 12 CB GLN A 6 4.624 -11.095 5.641 1.00 0.00 C ATOM 13 CG GLN A 6 3.843 -11.995 6.589 1.00 0.00 C ATOM 14 CD GLN A 6 4.188 -13.465 6.440 1.00 0.00 C ATOM 15 OE1 GLN A 6 5.436 -13.760 6.106 1.00 0.00 O flip ATOM 16 NE2 GLN A 6 3.339 -14.336 6.640 1.00 0.00 N flip ATOM 0 H GLN A 6 5.813 -10.988 2.710 1.00 0.00 H new ATOM 0 HA GLN A 6 4.641 -12.405 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.690 -11.218 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.379 -10.055 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.037 -11.685 7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.776 -11.859 6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.388 -14.072 6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.588 -15.321 6.550 1.00 0.00 H new ATOM 25 N PHE A 7 2.394 -11.987 2.877 1.00 0.00 N ATOM 26 CA PHE A 7 1.011 -11.902 2.448 1.00 0.00 C ATOM 27 C PHE A 7 0.090 -12.441 3.533 1.00 0.00 C ATOM 28 O PHE A 7 0.002 -13.653 3.752 1.00 0.00 O ATOM 29 CB PHE A 7 0.808 -12.656 1.135 1.00 0.00 C ATOM 30 CG PHE A 7 1.638 -12.115 0.006 1.00 0.00 C ATOM 31 CD1 PHE A 7 1.220 -11.002 -0.705 1.00 0.00 C ATOM 32 CD2 PHE A 7 2.842 -12.710 -0.338 1.00 0.00 C ATOM 33 CE1 PHE A 7 1.982 -10.496 -1.741 1.00 0.00 C ATOM 34 CE2 PHE A 7 3.611 -12.209 -1.370 1.00 0.00 C ATOM 35 CZ PHE A 7 3.181 -11.098 -2.071 1.00 0.00 C ATOM 0 H PHE A 7 2.951 -12.680 2.377 1.00 0.00 H new ATOM 0 HA PHE A 7 0.762 -10.855 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.053 -13.707 1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.245 -12.611 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.287 -10.524 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.183 -13.577 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.641 -9.632 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.546 -12.684 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.782 -10.701 -2.876 1.00 0.00 H new ATOM 45 N HIS A 8 -0.567 -11.505 4.207 1.00 0.00 N ATOM 46 CA HIS A 8 -1.456 -11.775 5.335 1.00 0.00 C ATOM 47 C HIS A 8 -0.651 -12.135 6.573 1.00 0.00 C ATOM 48 O HIS A 8 0.413 -12.744 6.494 1.00 0.00 O ATOM 49 CB HIS A 8 -2.475 -12.873 5.018 1.00 0.00 C ATOM 50 CG HIS A 8 -3.726 -12.757 5.837 1.00 0.00 C ATOM 51 ND1 HIS A 8 -4.691 -11.814 5.580 1.00 0.00 N ATOM 52 CD2 HIS A 8 -4.156 -13.442 6.919 1.00 0.00 C ATOM 53 CE1 HIS A 8 -5.660 -11.919 6.465 1.00 0.00 C ATOM 54 NE2 HIS A 8 -5.362 -12.901 7.294 1.00 0.00 N ATOM 0 H HIS A 8 -0.496 -10.513 3.981 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.017 -10.861 5.530 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.733 -12.829 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.019 -13.847 5.194 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.661 -11.135 4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.646 -14.263 7.400 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.548 -11.306 6.505 1.00 0.00 H new ATOM 63 N ASP A 9 -1.171 -11.722 7.719 1.00 0.00 N ATOM 64 CA ASP A 9 -0.518 -11.943 9.000 1.00 0.00 C ATOM 65 C ASP A 9 -0.430 -13.428 9.326 1.00 0.00 C ATOM 66 O ASP A 9 0.465 -13.856 10.054 1.00 0.00 O ATOM 67 CB ASP A 9 -1.275 -11.190 10.095 1.00 0.00 C ATOM 68 CG ASP A 9 -2.709 -11.661 10.242 1.00 0.00 C ATOM 69 OD1 ASP A 9 -3.558 -11.263 9.417 1.00 0.00 O ATOM 70 OD2 ASP A 9 -2.995 -12.438 11.177 1.00 0.00 O ATOM 0 H ASP A 9 -2.058 -11.224 7.787 1.00 0.00 H new ATOM 0 HA ASP A 9 0.502 -11.562 8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.755 -11.318 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.268 -10.124 9.869 1.00 0.00 H new ATOM 75 N ASN A 10 -1.361 -14.203 8.780 1.00 0.00 N ATOM 76 CA ASN A 10 -1.334 -15.652 8.917 1.00 0.00 C ATOM 77 C ASN A 10 -2.239 -16.305 7.874 1.00 0.00 C ATOM 78 O ASN A 10 -3.464 -16.303 8.022 1.00 0.00 O ATOM 79 CB ASN A 10 -1.761 -16.075 10.327 1.00 0.00 C ATOM 80 CG ASN A 10 -1.742 -17.580 10.512 1.00 0.00 C ATOM 81 OD1 ASN A 10 -0.711 -18.167 10.848 1.00 0.00 O ATOM 82 ND2 ASN A 10 -2.885 -18.214 10.312 1.00 0.00 N ATOM 0 H ASN A 10 -2.147 -13.848 8.236 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.310 -15.988 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.097 -15.614 11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.765 -15.700 10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.936 -19.225 10.435 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.716 -17.692 10.035 1.00 0.00 H new ATOM 89 N ALA A 11 -1.618 -16.821 6.808 1.00 0.00 N ATOM 90 CA ALA A 11 -2.308 -17.588 5.759 1.00 0.00 C ATOM 91 C ALA A 11 -3.187 -16.710 4.864 1.00 0.00 C ATOM 92 O ALA A 11 -4.089 -16.017 5.336 1.00 0.00 O ATOM 93 CB ALA A 11 -3.131 -18.719 6.365 1.00 0.00 C ATOM 0 H ALA A 11 -0.616 -16.719 6.645 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.530 -18.013 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.632 -19.271 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.474 -19.392 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.877 -18.304 7.043 1.00 0.00 H new ATOM 99 N ASN A 12 -2.931 -16.761 3.564 1.00 0.00 N ATOM 100 CA ASN A 12 -3.726 -16.014 2.594 1.00 0.00 C ATOM 101 C ASN A 12 -4.421 -16.977 1.632 1.00 0.00 C ATOM 102 O ASN A 12 -3.897 -18.050 1.333 1.00 0.00 O ATOM 103 CB ASN A 12 -2.860 -15.003 1.821 1.00 0.00 C ATOM 104 CG ASN A 12 -1.680 -15.640 1.103 1.00 0.00 C ATOM 105 OD1 ASN A 12 -0.535 -15.679 1.765 1.00 0.00 O flip ATOM 106 ND2 ASN A 12 -1.788 -16.066 -0.046 1.00 0.00 N flip ATOM 0 H ASN A 12 -2.177 -17.313 3.154 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.484 -15.450 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.483 -14.486 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.489 -14.249 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.687 -16.019 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.978 -16.466 -0.520 1.00 0.00 H new ATOM 113 N GLY A 13 -5.609 -16.601 1.175 1.00 0.00 N ATOM 114 CA GLY A 13 -6.370 -17.451 0.277 1.00 0.00 C ATOM 115 C GLY A 13 -7.384 -16.654 -0.520 1.00 0.00 C ATOM 116 O GLY A 13 -7.958 -15.691 -0.006 1.00 0.00 O ATOM 0 H GLY A 13 -6.062 -15.718 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.690 -17.962 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.883 -18.222 0.852 1.00 0.00 H new ATOM 120 N GLY A 14 -7.595 -17.041 -1.776 1.00 0.00 N ATOM 121 CA GLY A 14 -8.489 -16.298 -2.649 1.00 0.00 C ATOM 122 C GLY A 14 -7.809 -15.064 -3.196 1.00 0.00 C ATOM 123 O GLY A 14 -7.515 -14.977 -4.389 1.00 0.00 O ATOM 0 H GLY A 14 -7.161 -17.858 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.812 -16.935 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.385 -16.010 -2.099 1.00 0.00 H new ATOM 127 N GLN A 15 -7.551 -14.114 -2.317 1.00 0.00 N ATOM 128 CA GLN A 15 -6.752 -12.953 -2.651 1.00 0.00 C ATOM 129 C GLN A 15 -5.383 -13.092 -2.002 1.00 0.00 C ATOM 130 O GLN A 15 -5.281 -13.315 -0.796 1.00 0.00 O ATOM 131 CB GLN A 15 -7.435 -11.668 -2.180 1.00 0.00 C ATOM 132 CG GLN A 15 -8.683 -11.298 -2.971 1.00 0.00 C ATOM 133 CD GLN A 15 -8.392 -11.049 -4.439 1.00 0.00 C ATOM 134 OE1 GLN A 15 -8.047 -9.937 -4.836 1.00 0.00 O ATOM 135 NE2 GLN A 15 -8.542 -12.077 -5.258 1.00 0.00 N ATOM 0 H GLN A 15 -7.889 -14.126 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.642 -12.894 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.704 -11.777 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.722 -10.846 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.416 -12.099 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.132 -10.405 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.830 -12.984 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.370 -11.963 -6.257 1.00 0.00 H new ATOM 144 N ASN A 16 -4.333 -12.999 -2.803 1.00 0.00 N ATOM 145 CA ASN A 16 -2.983 -13.172 -2.290 1.00 0.00 C ATOM 146 C ASN A 16 -2.218 -11.865 -2.404 1.00 0.00 C ATOM 147 O ASN A 16 -1.939 -11.211 -1.405 1.00 0.00 O ATOM 148 CB ASN A 16 -2.236 -14.277 -3.045 1.00 0.00 C ATOM 149 CG ASN A 16 -3.008 -15.582 -3.155 1.00 0.00 C ATOM 150 OD1 ASN A 16 -3.858 -15.874 -2.183 1.00 0.00 O flip ATOM 151 ND2 ASN A 16 -2.838 -16.327 -4.119 1.00 0.00 N flip ATOM 0 H ASN A 16 -4.388 -12.806 -3.803 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.055 -13.466 -1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.999 -13.921 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.288 -14.469 -2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.175 -16.071 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.360 -17.201 -4.187 1.00 0.00 H new ATOM 158 N GLY A 17 -1.881 -11.491 -3.631 1.00 0.00 N ATOM 159 CA GLY A 17 -1.250 -10.214 -3.871 1.00 0.00 C ATOM 160 C GLY A 17 -2.269 -9.168 -4.257 1.00 0.00 C ATOM 161 O GLY A 17 -2.453 -8.873 -5.440 1.00 0.00 O ATOM 0 H GLY A 17 -2.036 -12.055 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.717 -9.894 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.509 -10.314 -4.664 1.00 0.00 H new ATOM 165 N THR A 18 -2.946 -8.627 -3.262 1.00 0.00 N ATOM 166 CA THR A 18 -4.009 -7.662 -3.487 1.00 0.00 C ATOM 167 C THR A 18 -3.447 -6.259 -3.669 1.00 0.00 C ATOM 168 O THR A 18 -2.562 -5.828 -2.926 1.00 0.00 O ATOM 169 CB THR A 18 -5.009 -7.692 -2.317 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.625 -8.983 -2.264 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.083 -6.617 -2.452 1.00 0.00 C ATOM 0 H THR A 18 -2.777 -8.842 -2.279 1.00 0.00 H new ATOM 0 HA THR A 18 -4.529 -7.937 -4.405 1.00 0.00 H new ATOM 0 HB THR A 18 -4.460 -7.491 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.293 -9.534 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.766 -6.676 -1.604 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.613 -5.634 -2.471 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.639 -6.772 -3.377 1.00 0.00 H new ATOM 179 N VAL A 19 -3.951 -5.565 -4.683 1.00 0.00 N ATOM 180 CA VAL A 19 -3.523 -4.206 -4.970 1.00 0.00 C ATOM 181 C VAL A 19 -4.719 -3.263 -5.004 1.00 0.00 C ATOM 182 O VAL A 19 -5.644 -3.439 -5.801 1.00 0.00 O ATOM 183 CB VAL A 19 -2.777 -4.116 -6.321 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.308 -2.692 -6.586 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.604 -5.081 -6.357 1.00 0.00 C ATOM 0 H VAL A 19 -4.660 -5.926 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.841 -3.912 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.474 -4.398 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.786 -2.653 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.169 -2.025 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.633 -2.377 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.095 -4.999 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.907 -4.837 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.967 -6.100 -6.224 1.00 0.00 H new ATOM 195 N GLN A 20 -4.698 -2.270 -4.133 1.00 0.00 N ATOM 196 CA GLN A 20 -5.718 -1.235 -4.135 1.00 0.00 C ATOM 197 C GLN A 20 -5.175 0.011 -4.808 1.00 0.00 C ATOM 198 O GLN A 20 -4.235 0.625 -4.309 1.00 0.00 O ATOM 199 CB GLN A 20 -6.153 -0.908 -2.706 1.00 0.00 C ATOM 200 CG GLN A 20 -7.011 -1.987 -2.065 1.00 0.00 C ATOM 201 CD GLN A 20 -8.421 -2.019 -2.622 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.702 -2.700 -3.609 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.322 -1.287 -1.983 1.00 0.00 N ATOM 0 H GLN A 20 -3.984 -2.158 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.586 -1.597 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.266 -0.750 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.708 0.030 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.541 -2.959 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.053 -1.821 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.048 -0.737 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.290 -1.274 -2.305 1.00 0.00 H new ATOM 212 N GLU A 21 -5.745 0.364 -5.951 1.00 0.00 N ATOM 213 CA GLU A 21 -5.365 1.585 -6.641 1.00 0.00 C ATOM 214 C GLU A 21 -6.277 2.730 -6.247 1.00 0.00 C ATOM 215 O GLU A 21 -7.447 2.778 -6.632 1.00 0.00 O ATOM 216 CB GLU A 21 -5.365 1.386 -8.155 1.00 0.00 C ATOM 217 CG GLU A 21 -4.098 0.717 -8.640 1.00 0.00 C ATOM 218 CD GLU A 21 -4.060 0.488 -10.133 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.968 -0.182 -10.662 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.109 0.966 -10.781 1.00 0.00 O ATOM 0 H GLU A 21 -6.471 -0.178 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.349 1.838 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.226 0.782 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.476 2.352 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.243 1.330 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.987 -0.241 -8.132 1.00 0.00 H new ATOM 227 N ILE A 22 -5.733 3.642 -5.464 1.00 0.00 N ATOM 228 CA ILE A 22 -6.488 4.781 -4.976 1.00 0.00 C ATOM 229 C ILE A 22 -6.124 6.020 -5.775 1.00 0.00 C ATOM 230 O ILE A 22 -5.001 6.141 -6.259 1.00 0.00 O ATOM 231 CB ILE A 22 -6.210 5.052 -3.476 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.240 3.746 -2.672 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.228 6.034 -2.911 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.563 3.010 -2.739 1.00 0.00 C ATOM 0 H ILE A 22 -4.763 3.616 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.546 4.549 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.215 5.490 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.451 3.088 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.012 3.968 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.016 6.211 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.167 6.976 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.230 5.619 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.502 2.098 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.354 3.648 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.785 2.754 -3.775 1.00 0.00 H new ATOM 246 N MET A 23 -7.085 6.914 -5.927 1.00 0.00 N ATOM 247 CA MET A 23 -6.871 8.189 -6.578 1.00 0.00 C ATOM 248 C MET A 23 -6.694 9.254 -5.511 1.00 0.00 C ATOM 249 O MET A 23 -7.661 9.685 -4.887 1.00 0.00 O ATOM 250 CB MET A 23 -8.068 8.526 -7.471 1.00 0.00 C ATOM 251 CG MET A 23 -8.352 7.489 -8.549 1.00 0.00 C ATOM 252 SD MET A 23 -7.487 7.795 -10.110 1.00 0.00 S ATOM 253 CE MET A 23 -5.768 7.586 -9.643 1.00 0.00 C ATOM 0 H MET A 23 -8.041 6.772 -5.599 1.00 0.00 H new ATOM 0 HA MET A 23 -5.979 8.144 -7.203 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.954 8.636 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.892 9.490 -7.947 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.069 6.505 -8.176 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.425 7.462 -8.739 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.187 7.289 -10.516 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.380 8.527 -9.252 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.690 6.815 -8.876 1.00 0.00 H new ATOM 263 N ILE A 24 -5.456 9.643 -5.274 1.00 0.00 N ATOM 264 CA ILE A 24 -5.150 10.583 -4.208 1.00 0.00 C ATOM 265 C ILE A 24 -5.234 12.021 -4.707 1.00 0.00 C ATOM 266 O ILE A 24 -4.599 12.368 -5.695 1.00 0.00 O ATOM 267 CB ILE A 24 -3.745 10.322 -3.632 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.608 8.860 -3.204 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.465 11.246 -2.459 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.649 8.422 -2.196 1.00 0.00 C ATOM 0 H ILE A 24 -4.645 9.324 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.890 10.437 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.011 10.527 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.679 8.224 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.616 8.706 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.468 11.045 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.522 12.283 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.204 11.074 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.489 7.375 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.565 9.033 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.644 8.543 -2.625 1.00 0.00 H new ATOM 282 N PRO A 25 -6.029 12.862 -4.025 1.00 0.00 N ATOM 283 CA PRO A 25 -6.204 14.278 -4.380 1.00 0.00 C ATOM 284 C PRO A 25 -4.878 14.972 -4.693 1.00 0.00 C ATOM 285 O PRO A 25 -3.911 14.855 -3.943 1.00 0.00 O ATOM 286 CB PRO A 25 -6.840 14.860 -3.120 1.00 0.00 C ATOM 287 CG PRO A 25 -7.625 13.732 -2.552 1.00 0.00 C ATOM 288 CD PRO A 25 -6.831 12.491 -2.844 1.00 0.00 C ATOM 0 HA PRO A 25 -6.800 14.412 -5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.084 15.212 -2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.479 15.712 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.771 13.859 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.615 13.678 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.198 12.212 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.479 11.640 -3.051 1.00 0.00 H new ATOM 296 N ALA A 26 -4.864 15.709 -5.803 1.00 0.00 N ATOM 297 CA ALA A 26 -3.632 16.240 -6.387 1.00 0.00 C ATOM 298 C ALA A 26 -2.900 17.201 -5.458 1.00 0.00 C ATOM 299 O ALA A 26 -1.668 17.198 -5.402 1.00 0.00 O ATOM 300 CB ALA A 26 -3.941 16.930 -7.707 1.00 0.00 C ATOM 0 H ALA A 26 -5.706 15.955 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.968 15.392 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.020 17.323 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.386 16.213 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.639 17.749 -7.535 1.00 0.00 H new ATOM 306 N GLY A 27 -3.649 18.025 -4.742 1.00 0.00 N ATOM 307 CA GLY A 27 -3.034 18.992 -3.856 1.00 0.00 C ATOM 308 C GLY A 27 -2.813 18.425 -2.470 1.00 0.00 C ATOM 309 O GLY A 27 -1.806 18.713 -1.819 1.00 0.00 O ATOM 0 H GLY A 27 -4.669 18.042 -4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.080 19.312 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.666 19.878 -3.790 1.00 0.00 H new ATOM 313 N LYS A 28 -3.746 17.597 -2.034 1.00 0.00 N ATOM 314 CA LYS A 28 -3.690 16.992 -0.713 1.00 0.00 C ATOM 315 C LYS A 28 -2.744 15.787 -0.707 1.00 0.00 C ATOM 316 O LYS A 28 -2.522 15.155 0.327 1.00 0.00 O ATOM 317 CB LYS A 28 -5.110 16.599 -0.295 1.00 0.00 C ATOM 318 CG LYS A 28 -5.246 16.153 1.151 1.00 0.00 C ATOM 319 CD LYS A 28 -6.661 16.335 1.650 1.00 0.00 C ATOM 320 CE LYS A 28 -7.679 15.685 0.726 1.00 0.00 C ATOM 321 NZ LYS A 28 -9.073 15.954 1.165 1.00 0.00 N ATOM 0 H LYS A 28 -4.562 17.325 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.293 17.707 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.772 17.449 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.455 15.794 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.959 15.105 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.561 16.725 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.751 15.906 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.880 17.399 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.539 16.058 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.508 14.609 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.737 15.613 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.256 15.461 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.203 16.977 1.299 1.00 0.00 H new ATOM 335 N ALA A 29 -2.164 15.497 -1.867 1.00 0.00 N ATOM 336 CA ALA A 29 -1.202 14.411 -2.006 1.00 0.00 C ATOM 337 C ALA A 29 0.037 14.663 -1.157 1.00 0.00 C ATOM 338 O ALA A 29 0.784 13.737 -0.842 1.00 0.00 O ATOM 339 CB ALA A 29 -0.813 14.235 -3.463 1.00 0.00 C ATOM 0 H ALA A 29 -2.346 16.005 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.674 13.495 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.094 13.421 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.701 14.001 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.365 15.157 -3.834 1.00 0.00 H new ATOM 345 N GLY A 30 0.251 15.920 -0.789 1.00 0.00 N ATOM 346 CA GLY A 30 1.364 16.261 0.072 1.00 0.00 C ATOM 347 C GLY A 30 1.313 15.508 1.386 1.00 0.00 C ATOM 348 O GLY A 30 2.348 15.143 1.937 1.00 0.00 O ATOM 0 H GLY A 30 -0.328 16.710 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.300 16.037 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.357 17.333 0.267 1.00 0.00 H new ATOM 352 N LEU A 31 0.103 15.244 1.867 1.00 0.00 N ATOM 353 CA LEU A 31 -0.089 14.550 3.134 1.00 0.00 C ATOM 354 C LEU A 31 0.142 13.048 2.984 1.00 0.00 C ATOM 355 O LEU A 31 0.679 12.405 3.881 1.00 0.00 O ATOM 356 CB LEU A 31 -1.500 14.807 3.669 1.00 0.00 C ATOM 357 CG LEU A 31 -1.818 16.268 3.996 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.261 16.409 4.451 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.871 16.790 5.066 1.00 0.00 C ATOM 0 H LEU A 31 -0.764 15.502 1.395 1.00 0.00 H new ATOM 0 HA LEU A 31 0.643 14.939 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.221 14.451 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.644 14.210 4.570 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.681 16.862 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.470 17.454 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.927 16.071 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.422 15.803 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.110 17.830 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.979 16.192 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.156 16.722 4.707 1.00 0.00 H new ATOM 371 N VAL A 32 -0.257 12.498 1.839 1.00 0.00 N ATOM 372 CA VAL A 32 -0.127 11.074 1.584 1.00 0.00 C ATOM 373 C VAL A 32 1.341 10.689 1.393 1.00 0.00 C ATOM 374 O VAL A 32 1.752 9.571 1.704 1.00 0.00 O ATOM 375 CB VAL A 32 -0.958 10.671 0.343 1.00 0.00 C ATOM 376 CG1 VAL A 32 -0.165 10.782 -0.949 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.528 9.280 0.509 1.00 0.00 C ATOM 0 H VAL A 32 -0.675 13.025 1.072 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.511 10.535 2.450 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.783 11.380 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.795 10.488 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.165 11.812 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.704 10.126 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.109 9.017 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.714 8.566 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.173 9.253 1.388 1.00 0.00 H new ATOM 387 N ILE A 33 2.121 11.629 0.874 1.00 0.00 N ATOM 388 CA ILE A 33 3.546 11.412 0.661 1.00 0.00 C ATOM 389 C ILE A 33 4.341 11.817 1.901 1.00 0.00 C ATOM 390 O ILE A 33 5.308 11.152 2.290 1.00 0.00 O ATOM 391 CB ILE A 33 4.052 12.214 -0.561 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.240 11.848 -1.807 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.535 11.961 -0.798 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.550 12.714 -3.010 1.00 0.00 C ATOM 0 H ILE A 33 1.789 12.551 0.592 1.00 0.00 H new ATOM 0 HA ILE A 33 3.695 10.349 0.470 1.00 0.00 H new ATOM 0 HB ILE A 33 3.918 13.276 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.431 10.806 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.178 11.930 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.869 12.535 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.101 12.267 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.698 10.899 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.938 12.397 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.332 13.756 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.604 12.614 -3.268 1.00 0.00 H new ATOM 406 N GLY A 34 3.913 12.906 2.526 1.00 0.00 N ATOM 407 CA GLY A 34 4.556 13.387 3.735 1.00 0.00 C ATOM 408 C GLY A 34 5.406 14.602 3.493 1.00 0.00 C ATOM 409 O GLY A 34 6.343 14.879 4.237 1.00 0.00 O ATOM 0 H GLY A 34 3.123 13.471 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.794 13.623 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.174 12.593 4.154 1.00 0.00 H new ATOM 413 N LYS A 35 5.063 15.333 2.444 1.00 0.00 N ATOM 414 CA LYS A 35 5.739 16.573 2.096 1.00 0.00 C ATOM 415 C LYS A 35 7.223 16.335 1.803 1.00 0.00 C ATOM 416 O LYS A 35 8.037 17.257 1.873 1.00 0.00 O ATOM 417 CB LYS A 35 5.568 17.603 3.221 1.00 0.00 C ATOM 418 CG LYS A 35 4.111 17.925 3.527 1.00 0.00 C ATOM 419 CD LYS A 35 3.961 18.709 4.816 1.00 0.00 C ATOM 420 CE LYS A 35 4.653 20.059 4.745 1.00 0.00 C ATOM 421 NZ LYS A 35 4.589 20.781 6.042 1.00 0.00 N ATOM 0 H LYS A 35 4.306 15.082 1.808 1.00 0.00 H new ATOM 0 HA LYS A 35 5.282 16.965 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.047 17.226 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.086 18.522 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.685 18.498 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.542 16.998 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.902 18.855 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.377 18.132 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.695 19.919 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.188 20.666 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.072 21.698 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.595 20.938 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.055 20.214 6.778 1.00 0.00 H new ATOM 435 N GLY A 36 7.561 15.092 1.471 1.00 0.00 N ATOM 436 CA GLY A 36 8.939 14.733 1.206 1.00 0.00 C ATOM 437 C GLY A 36 9.067 13.290 0.769 1.00 0.00 C ATOM 438 O GLY A 36 9.763 12.985 -0.200 1.00 0.00 O ATOM 0 H GLY A 36 6.897 14.323 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.342 15.385 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.537 14.896 2.103 1.00 0.00 H new ATOM 442 N GLY A 37 8.390 12.397 1.477 1.00 0.00 N ATOM 443 CA GLY A 37 8.394 10.999 1.090 1.00 0.00 C ATOM 444 C GLY A 37 8.823 10.076 2.210 1.00 0.00 C ATOM 445 O GLY A 37 9.023 8.880 1.995 1.00 0.00 O ATOM 0 H GLY A 37 7.840 12.613 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.395 10.717 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.063 10.865 0.240 1.00 0.00 H new ATOM 449 N GLU A 38 8.981 10.622 3.403 1.00 0.00 N ATOM 450 CA GLU A 38 9.361 9.823 4.558 1.00 0.00 C ATOM 451 C GLU A 38 8.134 9.193 5.222 1.00 0.00 C ATOM 452 O GLU A 38 8.203 8.086 5.752 1.00 0.00 O ATOM 453 CB GLU A 38 10.175 10.660 5.562 1.00 0.00 C ATOM 454 CG GLU A 38 9.820 12.143 5.606 1.00 0.00 C ATOM 455 CD GLU A 38 8.396 12.402 6.040 1.00 0.00 C ATOM 456 OE1 GLU A 38 8.156 12.514 7.262 1.00 0.00 O ATOM 457 OE2 GLU A 38 7.509 12.463 5.162 1.00 0.00 O ATOM 0 H GLU A 38 8.852 11.615 3.599 1.00 0.00 H new ATOM 0 HA GLU A 38 9.998 9.010 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.037 10.240 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.233 10.563 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.500 12.652 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.977 12.577 4.618 1.00 0.00 H new ATOM 464 N THR A 39 7.013 9.901 5.173 1.00 0.00 N ATOM 465 CA THR A 39 5.773 9.432 5.769 1.00 0.00 C ATOM 466 C THR A 39 5.269 8.177 5.064 1.00 0.00 C ATOM 467 O THR A 39 4.944 7.185 5.715 1.00 0.00 O ATOM 468 CB THR A 39 4.695 10.531 5.724 1.00 0.00 C ATOM 469 OG1 THR A 39 5.184 11.715 6.373 1.00 0.00 O ATOM 470 CG2 THR A 39 3.410 10.072 6.400 1.00 0.00 C ATOM 0 H THR A 39 6.940 10.812 4.721 1.00 0.00 H new ATOM 0 HA THR A 39 5.978 9.185 6.811 1.00 0.00 H new ATOM 0 HB THR A 39 4.473 10.746 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.022 11.997 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.669 10.870 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.026 9.188 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.614 9.829 7.443 1.00 0.00 H new ATOM 478 N ILE A 40 5.234 8.213 3.734 1.00 0.00 N ATOM 479 CA ILE A 40 4.801 7.058 2.950 1.00 0.00 C ATOM 480 C ILE A 40 5.651 5.827 3.265 1.00 0.00 C ATOM 481 O ILE A 40 5.137 4.713 3.350 1.00 0.00 O ATOM 482 CB ILE A 40 4.846 7.343 1.431 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.609 6.054 0.637 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.165 7.989 1.033 1.00 0.00 C ATOM 485 CD1 ILE A 40 4.834 6.200 -0.851 1.00 0.00 C ATOM 0 H ILE A 40 5.499 9.026 3.178 1.00 0.00 H new ATOM 0 HA ILE A 40 3.767 6.859 3.232 1.00 0.00 H new ATOM 0 HB ILE A 40 4.047 8.046 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.270 5.277 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.587 5.716 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.168 8.178 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.285 8.931 1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.988 7.321 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.646 5.245 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.154 6.953 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.864 6.507 -1.035 1.00 0.00 H new ATOM 497 N LYS A 41 6.950 6.044 3.456 1.00 0.00 N ATOM 498 CA LYS A 41 7.870 4.964 3.791 1.00 0.00 C ATOM 499 C LYS A 41 7.451 4.327 5.115 1.00 0.00 C ATOM 500 O LYS A 41 7.455 3.105 5.262 1.00 0.00 O ATOM 501 CB LYS A 41 9.308 5.511 3.867 1.00 0.00 C ATOM 502 CG LYS A 41 10.399 4.446 3.941 1.00 0.00 C ATOM 503 CD LYS A 41 10.571 3.880 5.346 1.00 0.00 C ATOM 504 CE LYS A 41 11.093 4.922 6.326 1.00 0.00 C ATOM 505 NZ LYS A 41 12.481 5.356 6.006 1.00 0.00 N ATOM 0 H LYS A 41 7.389 6.962 3.384 1.00 0.00 H new ATOM 0 HA LYS A 41 7.838 4.198 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.490 6.136 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.390 6.155 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.157 3.635 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.344 4.875 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.614 3.497 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.260 3.036 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.433 5.789 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.067 4.513 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.854 5.932 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.085 4.519 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.476 5.920 5.133 1.00 0.00 H new ATOM 519 N GLN A 42 7.051 5.172 6.057 1.00 0.00 N ATOM 520 CA GLN A 42 6.624 4.721 7.372 1.00 0.00 C ATOM 521 C GLN A 42 5.290 4.000 7.283 1.00 0.00 C ATOM 522 O GLN A 42 5.066 3.004 7.969 1.00 0.00 O ATOM 523 CB GLN A 42 6.512 5.908 8.323 1.00 0.00 C ATOM 524 CG GLN A 42 7.843 6.571 8.619 1.00 0.00 C ATOM 525 CD GLN A 42 7.699 7.790 9.503 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.533 8.949 8.886 1.00 0.00 O flip ATOM 527 NE2 GLN A 42 7.741 7.689 10.728 1.00 0.00 N flip ATOM 0 H GLN A 42 7.014 6.183 5.931 1.00 0.00 H new ATOM 0 HA GLN A 42 7.370 4.025 7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.835 6.646 7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.065 5.573 9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.504 5.852 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.318 6.860 7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.871 6.774 11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.646 8.520 11.312 1.00 0.00 H new ATOM 536 N LEU A 43 4.414 4.504 6.420 1.00 0.00 N ATOM 537 CA LEU A 43 3.100 3.905 6.213 1.00 0.00 C ATOM 538 C LEU A 43 3.234 2.453 5.775 1.00 0.00 C ATOM 539 O LEU A 43 2.438 1.599 6.160 1.00 0.00 O ATOM 540 CB LEU A 43 2.308 4.696 5.170 1.00 0.00 C ATOM 541 CG LEU A 43 2.083 6.173 5.514 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.454 6.912 4.347 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.205 6.301 6.748 1.00 0.00 C ATOM 0 H LEU A 43 4.592 5.331 5.850 1.00 0.00 H new ATOM 0 HA LEU A 43 2.561 3.935 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.831 4.636 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.338 4.218 5.033 1.00 0.00 H new ATOM 0 HG LEU A 43 3.054 6.623 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.305 7.958 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.112 6.851 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.493 6.459 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.054 7.355 6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.241 5.830 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.690 5.810 7.592 1.00 0.00 H new ATOM 555 N GLN A 44 4.260 2.181 4.980 1.00 0.00 N ATOM 556 CA GLN A 44 4.534 0.830 4.514 1.00 0.00 C ATOM 557 C GLN A 44 4.941 -0.063 5.681 1.00 0.00 C ATOM 558 O GLN A 44 4.417 -1.163 5.851 1.00 0.00 O ATOM 559 CB GLN A 44 5.646 0.858 3.465 1.00 0.00 C ATOM 560 CG GLN A 44 5.369 1.811 2.317 1.00 0.00 C ATOM 561 CD GLN A 44 6.477 1.822 1.285 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.678 2.967 0.652 1.00 0.00 O flip ATOM 563 NE2 GLN A 44 7.148 0.814 1.063 1.00 0.00 N flip ATOM 0 H GLN A 44 4.919 2.883 4.643 1.00 0.00 H new ATOM 0 HA GLN A 44 3.628 0.424 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.582 1.143 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.785 -0.147 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.432 1.530 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.235 2.818 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.958 -0.048 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.894 0.841 0.367 1.00 0.00 H new ATOM 572 N GLU A 45 5.860 0.438 6.495 1.00 0.00 N ATOM 573 CA GLU A 45 6.390 -0.313 7.624 1.00 0.00 C ATOM 574 C GLU A 45 5.305 -0.587 8.663 1.00 0.00 C ATOM 575 O GLU A 45 5.136 -1.720 9.115 1.00 0.00 O ATOM 576 CB GLU A 45 7.531 0.463 8.282 1.00 0.00 C ATOM 577 CG GLU A 45 8.617 0.896 7.316 1.00 0.00 C ATOM 578 CD GLU A 45 9.705 1.697 8.000 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.424 2.826 8.453 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.845 1.196 8.097 1.00 0.00 O ATOM 0 H GLU A 45 6.257 1.372 6.392 1.00 0.00 H new ATOM 0 HA GLU A 45 6.760 -1.266 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.121 1.346 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.977 -0.156 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.057 0.015 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.175 1.494 6.519 1.00 0.00 H new ATOM 587 N ARG A 46 4.566 0.456 9.028 1.00 0.00 N ATOM 588 CA ARG A 46 3.581 0.358 10.100 1.00 0.00 C ATOM 589 C ARG A 46 2.371 -0.477 9.696 1.00 0.00 C ATOM 590 O ARG A 46 1.671 -1.012 10.555 1.00 0.00 O ATOM 591 CB ARG A 46 3.129 1.751 10.550 1.00 0.00 C ATOM 592 CG ARG A 46 2.456 2.564 9.460 1.00 0.00 C ATOM 593 CD ARG A 46 2.036 3.931 9.970 1.00 0.00 C ATOM 594 NE ARG A 46 0.944 3.845 10.940 1.00 0.00 N ATOM 595 CZ ARG A 46 0.499 4.881 11.652 1.00 0.00 C ATOM 596 NH1 ARG A 46 1.101 6.062 11.570 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.543 4.728 12.455 1.00 0.00 N ATOM 0 H ARG A 46 4.630 1.378 8.598 1.00 0.00 H new ATOM 0 HA ARG A 46 4.069 -0.148 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.440 1.645 11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.995 2.302 10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.138 2.682 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.582 2.027 9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.892 4.424 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.725 4.551 9.129 1.00 0.00 H new ATOM 0 HE ARG A 46 0.497 2.939 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.909 6.181 10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.755 6.850 12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.002 3.820 12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.886 5.518 13.001 1.00 0.00 H new ATOM 611 N ALA A 47 2.118 -0.579 8.399 1.00 0.00 N ATOM 612 CA ALA A 47 1.002 -1.376 7.915 1.00 0.00 C ATOM 613 C ALA A 47 1.445 -2.796 7.584 1.00 0.00 C ATOM 614 O ALA A 47 0.669 -3.739 7.698 1.00 0.00 O ATOM 615 CB ALA A 47 0.360 -0.726 6.704 1.00 0.00 C ATOM 0 H ALA A 47 2.666 -0.124 7.669 1.00 0.00 H new ATOM 0 HA ALA A 47 0.261 -1.428 8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.472 -1.340 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.007 0.264 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.097 -0.634 5.907 1.00 0.00 H new ATOM 621 N GLY A 48 2.708 -2.938 7.197 1.00 0.00 N ATOM 622 CA GLY A 48 3.238 -4.241 6.836 1.00 0.00 C ATOM 623 C GLY A 48 3.021 -4.572 5.373 1.00 0.00 C ATOM 624 O GLY A 48 2.953 -5.744 4.999 1.00 0.00 O ATOM 0 H GLY A 48 3.377 -2.171 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.305 -4.269 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.764 -5.005 7.452 1.00 0.00 H new ATOM 628 N VAL A 49 2.918 -3.536 4.549 1.00 0.00 N ATOM 629 CA VAL A 49 2.682 -3.694 3.116 1.00 0.00 C ATOM 630 C VAL A 49 3.508 -2.694 2.325 1.00 0.00 C ATOM 631 O VAL A 49 4.245 -1.895 2.895 1.00 0.00 O ATOM 632 CB VAL A 49 1.197 -3.499 2.736 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.365 -4.704 3.135 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.640 -2.228 3.366 1.00 0.00 C ATOM 0 H VAL A 49 2.995 -2.565 4.852 1.00 0.00 H new ATOM 0 HA VAL A 49 2.975 -4.715 2.871 1.00 0.00 H new ATOM 0 HB VAL A 49 1.141 -3.398 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.675 -4.537 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.741 -5.591 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.431 -4.851 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.407 -2.111 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.719 -2.295 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.209 -1.368 3.013 1.00 0.00 H new ATOM 644 N LYS A 50 3.376 -2.747 1.011 1.00 0.00 N ATOM 645 CA LYS A 50 4.086 -1.825 0.140 1.00 0.00 C ATOM 646 C LYS A 50 3.107 -0.857 -0.513 1.00 0.00 C ATOM 647 O LYS A 50 2.150 -1.276 -1.159 1.00 0.00 O ATOM 648 CB LYS A 50 4.854 -2.590 -0.943 1.00 0.00 C ATOM 649 CG LYS A 50 5.508 -1.681 -1.970 1.00 0.00 C ATOM 650 CD LYS A 50 6.112 -2.471 -3.116 1.00 0.00 C ATOM 651 CE LYS A 50 6.558 -1.550 -4.238 1.00 0.00 C ATOM 652 NZ LYS A 50 7.124 -2.300 -5.389 1.00 0.00 N ATOM 0 H LYS A 50 2.784 -3.419 0.523 1.00 0.00 H new ATOM 0 HA LYS A 50 4.797 -1.262 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.621 -3.204 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.171 -3.270 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.768 -0.982 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.285 -1.087 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.963 -3.049 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.381 -3.184 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.710 -0.955 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.305 -0.853 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.415 -1.631 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.950 -2.848 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.404 -2.947 -5.770 1.00 0.00 H new ATOM 666 N MET A 51 3.344 0.436 -0.349 1.00 0.00 N ATOM 667 CA MET A 51 2.510 1.441 -0.992 1.00 0.00 C ATOM 668 C MET A 51 3.342 2.255 -1.962 1.00 0.00 C ATOM 669 O MET A 51 4.285 2.935 -1.560 1.00 0.00 O ATOM 670 CB MET A 51 1.854 2.385 0.022 1.00 0.00 C ATOM 671 CG MET A 51 1.073 1.680 1.113 1.00 0.00 C ATOM 672 SD MET A 51 -0.040 2.803 1.973 1.00 0.00 S ATOM 673 CE MET A 51 1.008 4.242 2.119 1.00 0.00 C ATOM 0 H MET A 51 4.102 0.813 0.220 1.00 0.00 H new ATOM 0 HA MET A 51 1.717 0.912 -1.521 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.628 2.999 0.483 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.185 3.062 -0.509 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.499 0.862 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.767 1.238 1.828 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.684 4.843 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.040 3.926 2.270 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.940 4.836 1.207 1.00 0.00 H new ATOM 683 N ILE A 52 3.006 2.171 -3.235 1.00 0.00 N ATOM 684 CA ILE A 52 3.712 2.933 -4.243 1.00 0.00 C ATOM 685 C ILE A 52 2.902 4.157 -4.662 1.00 0.00 C ATOM 686 O ILE A 52 1.813 4.044 -5.229 1.00 0.00 O ATOM 687 CB ILE A 52 4.080 2.070 -5.475 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.756 2.931 -6.548 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.857 1.360 -6.039 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.226 2.150 -7.758 1.00 0.00 C ATOM 0 H ILE A 52 2.252 1.585 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 52 4.647 3.270 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 52 4.785 1.304 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.057 3.701 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.610 3.442 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.149 0.763 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.430 0.710 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.115 2.099 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.693 2.830 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.950 1.397 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.373 1.660 -8.229 1.00 0.00 H new ATOM 702 N LEU A 53 3.427 5.325 -4.332 1.00 0.00 N ATOM 703 CA LEU A 53 2.823 6.581 -4.735 1.00 0.00 C ATOM 704 C LEU A 53 3.357 6.980 -6.096 1.00 0.00 C ATOM 705 O LEU A 53 4.523 7.364 -6.219 1.00 0.00 O ATOM 706 CB LEU A 53 3.133 7.688 -3.716 1.00 0.00 C ATOM 707 CG LEU A 53 1.990 8.072 -2.772 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.752 8.442 -3.566 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.683 6.948 -1.797 1.00 0.00 C ATOM 0 H LEU A 53 4.279 5.428 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 53 1.742 6.449 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.984 7.371 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.442 8.580 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 53 2.306 8.940 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.052 8.713 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.976 9.288 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.441 7.591 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.868 7.249 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.392 6.055 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.569 6.732 -1.200 1.00 0.00 H new ATOM 721 N ILE A 54 2.531 6.870 -7.125 1.00 0.00 N ATOM 722 CA ILE A 54 2.969 7.251 -8.451 1.00 0.00 C ATOM 723 C ILE A 54 2.899 8.763 -8.617 1.00 0.00 C ATOM 724 O ILE A 54 1.912 9.327 -9.090 1.00 0.00 O ATOM 725 CB ILE A 54 2.163 6.547 -9.565 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.299 5.026 -9.422 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.643 6.997 -10.944 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.556 4.242 -10.482 1.00 0.00 C ATOM 0 H ILE A 54 1.572 6.526 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 54 4.004 6.925 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 54 1.113 6.821 -9.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.355 4.760 -9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.932 4.729 -8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.063 6.490 -11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.512 8.075 -11.041 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.698 6.748 -11.061 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.700 3.175 -10.313 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.493 4.477 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.939 4.509 -11.467 1.00 0.00 H new ATOM 740 N GLN A 55 3.962 9.401 -8.171 1.00 0.00 N ATOM 741 CA GLN A 55 4.219 10.798 -8.460 1.00 0.00 C ATOM 742 C GLN A 55 5.411 10.863 -9.398 1.00 0.00 C ATOM 743 O GLN A 55 5.638 11.852 -10.094 1.00 0.00 O ATOM 744 CB GLN A 55 4.507 11.575 -7.173 1.00 0.00 C ATOM 745 CG GLN A 55 5.423 10.833 -6.219 1.00 0.00 C ATOM 746 CD GLN A 55 6.285 11.759 -5.389 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.619 12.862 -5.812 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.665 11.305 -4.211 1.00 0.00 N ATOM 0 H GLN A 55 4.678 8.961 -7.593 1.00 0.00 H new ATOM 0 HA GLN A 55 3.344 11.252 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.959 12.534 -7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.565 11.791 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.821 10.212 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.065 10.161 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.364 10.382 -3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.260 11.877 -3.612 1.00 0.00 H new ATOM 757 N ASP A 56 6.172 9.772 -9.387 1.00 0.00 N ATOM 758 CA ASP A 56 7.278 9.577 -10.307 1.00 0.00 C ATOM 759 C ASP A 56 6.743 9.542 -11.730 1.00 0.00 C ATOM 760 O ASP A 56 7.310 10.145 -12.643 1.00 0.00 O ATOM 761 CB ASP A 56 7.990 8.256 -10.003 1.00 0.00 C ATOM 762 CG ASP A 56 8.553 8.183 -8.596 1.00 0.00 C ATOM 763 OD1 ASP A 56 7.774 7.928 -7.646 1.00 0.00 O ATOM 764 OD2 ASP A 56 9.782 8.341 -8.437 1.00 0.00 O ATOM 0 H ASP A 56 6.035 8.999 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 56 7.986 10.398 -10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.290 7.433 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.801 8.116 -10.718 1.00 0.00 H new ATOM 769 N GLY A 57 5.640 8.820 -11.901 1.00 0.00 N ATOM 770 CA GLY A 57 4.976 8.754 -13.183 1.00 0.00 C ATOM 771 C GLY A 57 4.210 10.022 -13.479 1.00 0.00 C ATOM 772 O GLY A 57 3.522 10.558 -12.608 1.00 0.00 O ATOM 0 H GLY A 57 5.193 8.275 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.714 8.583 -13.967 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.293 7.904 -13.196 1.00 0.00 H new ATOM 776 N SER A 58 4.316 10.497 -14.706 1.00 0.00 N ATOM 777 CA SER A 58 3.716 11.765 -15.084 1.00 0.00 C ATOM 778 C SER A 58 2.342 11.570 -15.723 1.00 0.00 C ATOM 779 O SER A 58 1.833 12.459 -16.404 1.00 0.00 O ATOM 780 CB SER A 58 4.646 12.501 -16.043 1.00 0.00 C ATOM 781 OG SER A 58 5.943 12.634 -15.480 1.00 0.00 O ATOM 0 H SER A 58 4.813 10.023 -15.460 1.00 0.00 H new ATOM 0 HA SER A 58 3.574 12.359 -14.181 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.707 11.958 -16.986 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.239 13.487 -16.268 1.00 0.00 H new ATOM 0 HG SER A 58 6.526 13.107 -16.110 1.00 0.00 H new ATOM 787 N GLN A 59 1.735 10.414 -15.483 1.00 0.00 N ATOM 788 CA GLN A 59 0.427 10.115 -16.050 1.00 0.00 C ATOM 789 C GLN A 59 -0.669 10.812 -15.263 1.00 0.00 C ATOM 790 O GLN A 59 -1.531 11.483 -15.831 1.00 0.00 O ATOM 791 CB GLN A 59 0.178 8.607 -16.074 1.00 0.00 C ATOM 792 CG GLN A 59 1.058 7.862 -17.060 1.00 0.00 C ATOM 793 CD GLN A 59 0.935 8.412 -18.463 1.00 0.00 C ATOM 794 OE1 GLN A 59 1.692 9.294 -18.865 1.00 0.00 O ATOM 795 NE2 GLN A 59 -0.030 7.909 -19.212 1.00 0.00 N ATOM 0 H GLN A 59 2.126 9.672 -14.902 1.00 0.00 H new ATOM 0 HA GLN A 59 0.412 10.485 -17.075 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.344 8.204 -15.075 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.867 8.424 -16.322 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.097 7.925 -16.737 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.787 6.806 -17.060 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.636 7.178 -18.840 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.169 8.252 -20.163 1.00 0.00 H new ATOM 804 N ASN A 60 -0.626 10.660 -13.951 1.00 0.00 N ATOM 805 CA ASN A 60 -1.615 11.277 -13.084 1.00 0.00 C ATOM 806 C ASN A 60 -0.925 12.086 -11.994 1.00 0.00 C ATOM 807 O ASN A 60 -1.347 12.086 -10.842 1.00 0.00 O ATOM 808 CB ASN A 60 -2.522 10.219 -12.447 1.00 0.00 C ATOM 809 CG ASN A 60 -3.273 9.373 -13.460 1.00 0.00 C ATOM 810 OD1 ASN A 60 -2.767 8.358 -13.937 1.00 0.00 O ATOM 811 ND2 ASN A 60 -4.493 9.772 -13.783 1.00 0.00 N ATOM 0 H ASN A 60 0.084 10.114 -13.462 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.231 11.940 -13.691 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.918 9.566 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.241 10.714 -11.795 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.047 9.232 -14.448 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.879 10.619 -13.367 1.00 0.00 H new ATOM 818 N THR A 61 0.144 12.778 -12.361 1.00 0.00 N ATOM 819 CA THR A 61 0.902 13.553 -11.394 1.00 0.00 C ATOM 820 C THR A 61 0.317 14.959 -11.242 1.00 0.00 C ATOM 821 O THR A 61 0.493 15.602 -10.212 1.00 0.00 O ATOM 822 CB THR A 61 2.400 13.639 -11.766 1.00 0.00 C ATOM 823 OG1 THR A 61 3.142 14.197 -10.675 1.00 0.00 O ATOM 824 CG2 THR A 61 2.614 14.484 -13.016 1.00 0.00 C ATOM 0 H THR A 61 0.503 12.818 -13.315 1.00 0.00 H new ATOM 0 HA THR A 61 0.825 13.032 -10.440 1.00 0.00 H new ATOM 0 HB THR A 61 2.753 12.629 -11.973 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.090 14.247 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.678 14.524 -13.250 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.075 14.039 -13.852 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.243 15.494 -12.841 1.00 0.00 H new ATOM 832 N ASN A 62 -0.393 15.427 -12.258 1.00 0.00 N ATOM 833 CA ASN A 62 -1.017 16.747 -12.190 1.00 0.00 C ATOM 834 C ASN A 62 -2.482 16.602 -11.783 1.00 0.00 C ATOM 835 O ASN A 62 -3.236 17.574 -11.733 1.00 0.00 O ATOM 836 CB ASN A 62 -0.895 17.472 -13.537 1.00 0.00 C ATOM 837 CG ASN A 62 -1.287 18.940 -13.459 1.00 0.00 C ATOM 838 OD1 ASN A 62 -1.032 19.568 -12.320 1.00 0.00 O flip ATOM 839 ND2 ASN A 62 -1.798 19.509 -14.424 1.00 0.00 N flip ATOM 0 H ASN A 62 -0.552 14.923 -13.130 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.501 17.346 -11.440 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.132 17.394 -13.894 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.526 16.972 -14.271 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.979 18.991 -15.284 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.040 20.498 -14.363 1.00 0.00 H new ATOM 846 N VAL A 63 -2.867 15.370 -11.482 1.00 0.00 N ATOM 847 CA VAL A 63 -4.224 15.057 -11.057 1.00 0.00 C ATOM 848 C VAL A 63 -4.192 14.101 -9.873 1.00 0.00 C ATOM 849 O VAL A 63 -3.181 14.019 -9.170 1.00 0.00 O ATOM 850 CB VAL A 63 -5.050 14.424 -12.198 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.352 15.442 -13.284 1.00 0.00 C ATOM 852 CG2 VAL A 63 -4.329 13.226 -12.787 1.00 0.00 C ATOM 0 H VAL A 63 -2.248 14.560 -11.525 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.700 15.994 -10.769 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.995 14.086 -11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.935 14.969 -14.074 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.921 16.269 -12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.417 15.820 -13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.930 12.797 -13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.365 13.541 -13.186 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.173 12.477 -12.010 1.00 0.00 H new ATOM 862 N ASP A 64 -5.297 13.398 -9.650 1.00 0.00 N ATOM 863 CA ASP A 64 -5.363 12.386 -8.604 1.00 0.00 C ATOM 864 C ASP A 64 -4.254 11.358 -8.797 1.00 0.00 C ATOM 865 O ASP A 64 -4.005 10.899 -9.909 1.00 0.00 O ATOM 866 CB ASP A 64 -6.724 11.689 -8.593 1.00 0.00 C ATOM 867 CG ASP A 64 -7.867 12.631 -8.271 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.385 13.285 -9.202 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.261 12.722 -7.090 1.00 0.00 O ATOM 0 H ASP A 64 -6.160 13.511 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.229 12.885 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.900 11.232 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.707 10.882 -7.860 1.00 0.00 H new ATOM 874 N LYS A 65 -3.617 10.990 -7.703 1.00 0.00 N ATOM 875 CA LYS A 65 -2.394 10.203 -7.748 1.00 0.00 C ATOM 876 C LYS A 65 -2.704 8.727 -7.760 1.00 0.00 C ATOM 877 O LYS A 65 -3.538 8.262 -6.986 1.00 0.00 O ATOM 878 CB LYS A 65 -1.524 10.505 -6.532 1.00 0.00 C ATOM 879 CG LYS A 65 -1.246 11.980 -6.329 1.00 0.00 C ATOM 880 CD LYS A 65 -0.267 12.519 -7.355 1.00 0.00 C ATOM 881 CE LYS A 65 -0.105 14.020 -7.196 1.00 0.00 C ATOM 882 NZ LYS A 65 1.097 14.540 -7.900 1.00 0.00 N ATOM 0 H LYS A 65 -3.928 11.225 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.864 10.470 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.013 10.111 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.576 9.977 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.181 12.537 -6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.846 12.139 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.699 12.028 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.621 12.290 -8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.993 14.521 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.036 14.265 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.369 15.457 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.882 13.866 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.882 14.661 -8.910 1.00 0.00 H new ATOM 896 N PRO A 66 -2.044 7.976 -8.645 1.00 0.00 N ATOM 897 CA PRO A 66 -2.125 6.522 -8.660 1.00 0.00 C ATOM 898 C PRO A 66 -1.398 5.918 -7.462 1.00 0.00 C ATOM 899 O PRO A 66 -0.167 5.887 -7.418 1.00 0.00 O ATOM 900 CB PRO A 66 -1.417 6.131 -9.967 1.00 0.00 C ATOM 901 CG PRO A 66 -1.290 7.396 -10.743 1.00 0.00 C ATOM 902 CD PRO A 66 -1.185 8.482 -9.718 1.00 0.00 C ATOM 0 HA PRO A 66 -3.152 6.162 -8.603 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.439 5.693 -9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.993 5.388 -10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.410 7.376 -11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.154 7.549 -11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.158 8.628 -9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.535 9.440 -10.102 1.00 0.00 H new ATOM 910 N LEU A 67 -2.162 5.454 -6.489 1.00 0.00 N ATOM 911 CA LEU A 67 -1.592 4.822 -5.313 1.00 0.00 C ATOM 912 C LEU A 67 -1.902 3.340 -5.316 1.00 0.00 C ATOM 913 O LEU A 67 -3.064 2.949 -5.289 1.00 0.00 O ATOM 914 CB LEU A 67 -2.129 5.470 -4.033 1.00 0.00 C ATOM 915 CG LEU A 67 -1.889 4.672 -2.744 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.407 4.421 -2.520 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.489 5.396 -1.549 1.00 0.00 C ATOM 0 H LEU A 67 -3.181 5.503 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.511 4.959 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.671 6.453 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.201 5.629 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.382 3.706 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.269 3.854 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.003 3.855 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.116 5.374 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.309 4.816 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.026 6.378 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.562 5.514 -1.697 1.00 0.00 H new ATOM 929 N ARG A 68 -0.866 2.524 -5.363 1.00 0.00 N ATOM 930 CA ARG A 68 -1.043 1.086 -5.313 1.00 0.00 C ATOM 931 C ARG A 68 -0.562 0.538 -3.985 1.00 0.00 C ATOM 932 O ARG A 68 0.643 0.485 -3.724 1.00 0.00 O ATOM 933 CB ARG A 68 -0.291 0.395 -6.452 1.00 0.00 C ATOM 934 CG ARG A 68 -0.820 0.742 -7.824 1.00 0.00 C ATOM 935 CD ARG A 68 -0.024 0.072 -8.926 1.00 0.00 C ATOM 936 NE ARG A 68 -0.430 0.552 -10.244 1.00 0.00 N ATOM 937 CZ ARG A 68 0.425 0.905 -11.200 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.733 0.787 -11.002 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.027 1.364 -12.360 1.00 0.00 N ATOM 0 H ARG A 68 0.104 2.831 -5.436 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.108 0.882 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.763 0.668 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.348 -0.684 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.865 0.440 -7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.790 1.823 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.039 0.265 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.162 -1.008 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.428 0.621 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.084 0.425 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.387 1.058 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.031 1.447 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.630 1.634 -13.092 1.00 0.00 H new ATOM 953 N ILE A 69 -1.499 0.162 -3.135 1.00 0.00 N ATOM 954 CA ILE A 69 -1.158 -0.548 -1.921 1.00 0.00 C ATOM 955 C ILE A 69 -1.107 -2.034 -2.245 1.00 0.00 C ATOM 956 O ILE A 69 -2.132 -2.653 -2.529 1.00 0.00 O ATOM 957 CB ILE A 69 -2.159 -0.297 -0.766 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.381 1.201 -0.520 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.657 -0.956 0.507 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.436 1.820 -1.410 1.00 0.00 C ATOM 0 H ILE A 69 -2.496 0.336 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.193 -0.180 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.114 -0.734 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.666 1.350 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.438 1.727 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.366 -0.775 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.557 -2.029 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.687 -0.537 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.534 2.880 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.144 1.705 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.391 1.322 -1.243 1.00 0.00 H new ATOM 972 N ILE A 70 0.093 -2.582 -2.242 1.00 0.00 N ATOM 973 CA ILE A 70 0.319 -3.940 -2.704 1.00 0.00 C ATOM 974 C ILE A 70 0.672 -4.859 -1.543 1.00 0.00 C ATOM 975 O ILE A 70 1.559 -4.548 -0.742 1.00 0.00 O ATOM 976 CB ILE A 70 1.467 -3.984 -3.736 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.261 -2.917 -4.814 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.560 -5.367 -4.368 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.444 -2.762 -5.743 1.00 0.00 C ATOM 0 H ILE A 70 0.935 -2.103 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.606 -4.282 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 70 2.404 -3.775 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.379 -3.171 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.059 -1.960 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.374 -5.382 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.751 -6.109 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.622 -5.601 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.228 -1.989 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.324 -2.478 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.633 -3.707 -6.252 1.00 0.00 H new ATOM 991 N GLY A 71 -0.037 -5.972 -1.440 1.00 0.00 N ATOM 992 CA GLY A 71 0.310 -6.981 -0.467 1.00 0.00 C ATOM 993 C GLY A 71 -0.893 -7.760 0.009 1.00 0.00 C ATOM 994 O GLY A 71 -1.636 -8.326 -0.790 1.00 0.00 O ATOM 0 H GLY A 71 -0.849 -6.193 -2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.035 -7.668 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.794 -6.507 0.387 1.00 0.00 H new ATOM 998 N ASP A 72 -1.090 -7.759 1.314 1.00 0.00 N ATOM 999 CA ASP A 72 -2.170 -8.507 1.942 1.00 0.00 C ATOM 1000 C ASP A 72 -3.468 -7.721 1.924 1.00 0.00 C ATOM 1001 O ASP A 72 -3.505 -6.574 2.352 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.801 -8.823 3.383 1.00 0.00 C ATOM 1003 CG ASP A 72 -3.010 -9.171 4.224 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.707 -10.150 3.900 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -3.261 -8.466 5.213 1.00 0.00 O ATOM 0 H ASP A 72 -0.507 -7.240 1.971 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.314 -9.428 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.097 -9.655 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.291 -7.965 3.821 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.555 -8.366 1.460 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.883 -7.753 1.351 1.00 0.00 C ATOM 1012 C PRO A 73 -6.321 -7.015 2.616 1.00 0.00 C ATOM 1013 O PRO A 73 -7.105 -6.067 2.548 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.815 -8.942 1.118 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.965 -10.022 0.543 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.552 -9.768 0.991 1.00 0.00 C ATOM 0 HA PRO A 73 -5.893 -7.002 0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.277 -9.264 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.623 -8.677 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.305 -11.000 0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.029 -10.022 -0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.260 -10.452 1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.845 -9.911 0.174 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.815 -7.452 3.762 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.217 -6.893 5.041 1.00 0.00 C ATOM 1026 C TYR A 74 -5.439 -5.611 5.340 1.00 0.00 C ATOM 1027 O TYR A 74 -6.031 -4.539 5.473 1.00 0.00 O ATOM 1028 CB TYR A 74 -6.016 -7.935 6.146 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.563 -7.540 7.499 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.919 -7.309 7.676 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.725 -7.420 8.598 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -8.427 -6.968 8.915 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -6.225 -7.075 9.839 1.00 0.00 C ATOM 1034 CZ TYR A 74 -7.576 -6.851 9.992 1.00 0.00 C ATOM 1035 OH TYR A 74 -8.083 -6.522 11.231 1.00 0.00 O ATOM 0 H TYR A 74 -5.121 -8.197 3.829 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.274 -6.632 4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.489 -8.867 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.949 -8.136 6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.588 -7.397 6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.666 -7.599 8.482 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.486 -6.794 9.038 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.560 -6.981 10.685 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.352 -6.481 11.883 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.116 -5.710 5.415 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.288 -4.533 5.685 1.00 0.00 C ATOM 1047 C LYS A 75 -3.213 -3.596 4.484 1.00 0.00 C ATOM 1048 O LYS A 75 -2.853 -2.434 4.634 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.883 -4.911 6.174 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.325 -6.203 5.607 1.00 0.00 C ATOM 1051 CD LYS A 75 -0.018 -6.583 6.292 1.00 0.00 C ATOM 1052 CE LYS A 75 0.485 -7.942 5.837 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.936 -8.127 6.118 1.00 0.00 N ATOM 0 H LYS A 75 -3.596 -6.580 5.295 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.782 -3.994 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.199 -4.099 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.903 -4.989 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.053 -7.004 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.159 -6.092 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.737 -5.826 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.164 -6.593 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.083 -8.725 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.306 -8.054 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.278 -8.980 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.464 -7.298 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.080 -8.233 7.142 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.561 -4.086 3.302 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.702 -3.216 2.142 1.00 0.00 C ATOM 1069 C VAL A 76 -4.917 -2.320 2.336 1.00 0.00 C ATOM 1070 O VAL A 76 -4.893 -1.134 2.014 1.00 0.00 O ATOM 1071 CB VAL A 76 -3.830 -4.025 0.828 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.430 -3.186 -0.287 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.472 -4.553 0.401 1.00 0.00 C ATOM 0 H VAL A 76 -3.749 -5.072 3.121 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.802 -2.607 2.056 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.501 -4.863 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.505 -3.786 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.423 -2.847 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.793 -2.322 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.576 -5.120 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.791 -3.717 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.072 -5.201 1.181 1.00 0.00 H new ATOM 1083 N GLN A 77 -5.966 -2.892 2.908 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.172 -2.146 3.203 1.00 0.00 C ATOM 1085 C GLN A 77 -6.927 -1.236 4.401 1.00 0.00 C ATOM 1086 O GLN A 77 -7.334 -0.076 4.398 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.333 -3.106 3.466 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.643 -2.419 3.811 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.078 -1.399 2.775 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.759 -1.728 1.804 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -9.702 -0.149 2.986 1.00 0.00 N ATOM 0 H GLN A 77 -6.002 -3.875 3.177 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.438 -1.526 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.483 -3.727 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.060 -3.774 4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.423 -3.173 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.542 -1.925 4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.138 0.083 3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.976 0.584 2.331 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.244 -1.767 5.413 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.847 -0.973 6.569 1.00 0.00 C ATOM 1102 C GLN A 78 -5.035 0.234 6.129 1.00 0.00 C ATOM 1103 O GLN A 78 -5.339 1.360 6.496 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.025 -1.804 7.553 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.816 -2.894 8.251 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.009 -3.581 9.335 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.335 -4.579 9.088 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.058 -3.036 10.541 1.00 0.00 N ATOM 0 H GLN A 78 -5.955 -2.744 5.454 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.757 -0.638 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.191 -2.260 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.598 -1.141 8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.717 -2.464 8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.139 -3.633 7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.630 -2.207 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.523 -3.445 11.307 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.010 -0.014 5.326 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.160 1.051 4.816 1.00 0.00 C ATOM 1119 C ALA A 79 -3.966 2.037 3.979 1.00 0.00 C ATOM 1120 O ALA A 79 -3.771 3.248 4.072 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.019 0.459 4.008 1.00 0.00 C ATOM 0 H ALA A 79 -3.747 -0.948 5.013 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.742 1.600 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.387 1.262 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.427 -0.200 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.423 -0.110 3.171 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.884 1.504 3.181 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.767 2.316 2.356 1.00 0.00 C ATOM 1129 C CYS A 80 -6.603 3.258 3.206 1.00 0.00 C ATOM 1130 O CYS A 80 -6.584 4.469 2.991 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.670 1.406 1.516 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.982 2.260 0.612 1.00 0.00 S ATOM 0 H CYS A 80 -5.036 0.500 3.089 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.155 2.926 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.051 0.863 0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.125 0.664 2.172 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.980 3.520 0.932 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.318 2.722 4.182 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.150 3.561 5.023 1.00 0.00 C ATOM 1140 C GLU A 81 -7.290 4.417 5.937 1.00 0.00 C ATOM 1141 O GLU A 81 -7.703 5.486 6.346 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.182 2.737 5.812 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.618 1.595 6.654 1.00 0.00 C ATOM 1144 CD GLU A 81 -8.128 2.020 8.027 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -8.401 3.165 8.433 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -7.507 1.191 8.727 1.00 0.00 O ATOM 0 H GLU A 81 -7.339 1.727 4.408 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.718 4.228 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.731 3.411 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.903 2.322 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.388 0.833 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.793 1.132 6.113 1.00 0.00 H new ATOM 1153 N MET A 82 -6.079 3.953 6.219 1.00 0.00 N ATOM 1154 CA MET A 82 -5.140 4.709 7.037 1.00 0.00 C ATOM 1155 C MET A 82 -4.685 5.975 6.314 1.00 0.00 C ATOM 1156 O MET A 82 -4.717 7.065 6.882 1.00 0.00 O ATOM 1157 CB MET A 82 -3.932 3.842 7.405 1.00 0.00 C ATOM 1158 CG MET A 82 -2.901 4.538 8.276 1.00 0.00 C ATOM 1159 SD MET A 82 -1.656 3.393 8.911 1.00 0.00 S ATOM 1160 CE MET A 82 -1.126 2.566 7.408 1.00 0.00 C ATOM 0 H MET A 82 -5.724 3.054 5.892 1.00 0.00 H new ATOM 0 HA MET A 82 -5.650 5.004 7.954 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.285 2.950 7.923 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.448 3.507 6.488 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.410 5.322 7.699 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.404 5.025 9.112 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.057 2.359 7.464 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.672 1.629 7.296 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.327 3.207 6.550 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.277 5.832 5.056 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.818 6.980 4.281 1.00 0.00 C ATOM 1172 C VAL A 83 -4.988 7.854 3.857 1.00 0.00 C ATOM 1173 O VAL A 83 -4.883 9.079 3.840 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.998 6.566 3.036 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.773 5.776 3.453 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.836 5.769 2.046 1.00 0.00 C ATOM 0 H VAL A 83 -4.255 4.943 4.556 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.160 7.550 4.937 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.678 7.478 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.205 5.491 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.149 6.389 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.084 4.879 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.223 5.498 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.206 4.864 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.680 6.374 1.714 1.00 0.00 H new ATOM 1186 N MET A 84 -6.112 7.227 3.536 1.00 0.00 N ATOM 1187 CA MET A 84 -7.305 7.972 3.167 1.00 0.00 C ATOM 1188 C MET A 84 -7.891 8.663 4.388 1.00 0.00 C ATOM 1189 O MET A 84 -8.541 9.700 4.270 1.00 0.00 O ATOM 1190 CB MET A 84 -8.346 7.060 2.519 1.00 0.00 C ATOM 1191 CG MET A 84 -7.953 6.583 1.128 1.00 0.00 C ATOM 1192 SD MET A 84 -9.160 5.451 0.408 1.00 0.00 S ATOM 1193 CE MET A 84 -10.618 6.489 0.358 1.00 0.00 C ATOM 0 H MET A 84 -6.221 6.213 3.524 1.00 0.00 H new ATOM 0 HA MET A 84 -7.020 8.729 2.436 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.507 6.193 3.160 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.295 7.592 2.457 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.836 7.446 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 84 -6.983 6.088 1.179 1.00 0.00 H new ATOM 0 HE1 MET A 84 -11.167 6.301 -0.564 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.255 6.262 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.320 7.537 0.395 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.649 8.086 5.559 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.067 8.707 6.816 1.00 0.00 C ATOM 1205 C ASP A 85 -7.347 10.034 7.014 1.00 0.00 C ATOM 1206 O ASP A 85 -7.946 11.019 7.433 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.795 7.788 8.007 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.223 8.402 9.320 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.438 8.412 9.611 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.348 8.868 10.074 1.00 0.00 O ATOM 0 H ASP A 85 -7.168 7.193 5.667 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.141 8.884 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.321 6.845 7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.731 7.556 8.048 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.062 10.046 6.678 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.243 11.254 6.762 1.00 0.00 C ATOM 1217 C ILE A 86 -5.767 12.329 5.814 1.00 0.00 C ATOM 1218 O ILE A 86 -5.699 13.523 6.104 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.770 10.948 6.405 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.234 9.804 7.270 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.906 12.191 6.574 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.802 9.417 6.957 1.00 0.00 C ATOM 0 H ILE A 86 -5.559 9.225 6.341 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.298 11.615 7.789 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.729 10.641 5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.301 10.092 8.319 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.873 8.931 7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.873 11.954 6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.271 12.980 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.954 12.530 7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.495 8.601 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.731 9.096 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.150 10.275 7.117 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.308 11.890 4.687 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.737 12.802 3.640 1.00 0.00 C ATOM 1236 C LEU A 87 -8.159 13.306 3.875 1.00 0.00 C ATOM 1237 O LEU A 87 -8.546 14.348 3.355 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.640 12.113 2.277 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.265 11.542 1.931 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.290 10.907 0.555 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.198 12.623 2.003 1.00 0.00 C ATOM 0 H LEU A 87 -6.460 10.904 4.475 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.074 13.667 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.370 11.304 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.923 12.829 1.505 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.017 10.774 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.304 10.505 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.024 10.101 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.560 11.658 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.228 12.194 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.437 13.417 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.164 13.034 3.012 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.938 12.570 4.656 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.323 12.956 4.920 1.00 0.00 C ATOM 1255 C ARG A 88 -10.426 13.725 6.226 1.00 0.00 C ATOM 1256 O ARG A 88 -11.499 14.190 6.607 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.223 11.721 4.997 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.966 10.886 6.237 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.812 9.627 6.269 1.00 0.00 C ATOM 1260 NE ARG A 88 -11.479 8.790 7.422 1.00 0.00 N ATOM 1261 CZ ARG A 88 -12.123 7.675 7.752 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -13.186 7.281 7.059 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -11.709 6.967 8.795 1.00 0.00 N ATOM 0 H ARG A 88 -8.641 11.709 5.116 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.651 13.592 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.267 12.036 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.066 11.106 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.911 10.613 6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.174 11.484 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.867 9.897 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.660 9.061 5.350 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.700 9.082 8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.513 7.835 6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.675 6.424 7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.903 7.280 9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.197 6.110 9.056 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.305 13.853 6.903 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.280 14.463 8.218 1.00 0.00 C ATOM 1279 C GLU A 89 -8.453 15.745 8.174 1.00 0.00 C ATOM 1280 O GLU A 89 -9.008 16.798 7.796 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.708 13.468 9.240 1.00 0.00 C ATOM 1282 CG GLU A 89 -9.267 13.627 10.648 1.00 0.00 C ATOM 1283 CD GLU A 89 -8.823 14.907 11.323 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -7.739 14.908 11.943 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -9.553 15.914 11.244 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.249 15.695 8.502 1.00 0.00 O ATOM 0 H GLU A 89 -8.395 13.542 6.564 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.294 14.721 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.908 12.454 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.625 13.584 9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.356 13.605 10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.955 12.777 11.254 1.00 0.00 H new TER 1293 GLU A 89