USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 57 SER OG : rot -123:sc= 0.394 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.63 K(o=-0.24,f=-3.9!) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.676 K(o=0.14,f=-2.8) USER MOD Set 2.2: B 204 SER OG : rot 45:sc= 0.818 USER MOD Set 3.1: A 5 SER OG : rot 11:sc= 0.339 USER MOD Set 3.2: A 7 ASN : amide:sc= -0.452 K(o=-0.11,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.114 (180deg=-0.0584) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.381 F(o=-1.9!,f=-0.38) USER MOD Single : A 8 GLN : amide:sc= -2.17 K(o=-2.2,f=-4.3!) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= -2.54 (180deg=-2.68) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0665 F(o=-0.6,f=-0.066) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0163 F(o=-1.2,f=-0.016) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 55:sc= 0.714 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.188 F(o=-1.1,f=-0.19) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -106:sc= -0.874 (180deg=-1.49) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 197 THR OG1 : rot 180:sc= -0.271 USER MOD Single : B 198 LYS NZ :NH3+ -167:sc= -0.0256 (180deg=-0.27) USER MOD Single : B 199 SER OG : rot 180:sc= 0 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 180:sc= -0.251 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.164 -16.650 -1.445 1.00 0.00 N ATOM 2 CA MET A 1 -26.174 -17.712 -1.131 1.00 0.00 C ATOM 3 C MET A 1 -25.236 -17.271 -0.013 1.00 0.00 C ATOM 4 O MET A 1 -25.243 -16.110 0.394 1.00 0.00 O ATOM 5 CB MET A 1 -25.365 -18.063 -2.382 1.00 0.00 C ATOM 6 CG MET A 1 -26.179 -18.766 -3.456 1.00 0.00 C ATOM 7 SD MET A 1 -26.824 -20.357 -2.908 1.00 0.00 S ATOM 8 CE MET A 1 -27.777 -20.848 -4.342 1.00 0.00 C ATOM 0 H1 MET A 1 -28.123 -16.997 -1.240 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.968 -15.810 -0.864 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.095 -16.398 -2.452 1.00 0.00 H new ATOM 0 HA MET A 1 -26.718 -18.595 -0.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.942 -17.149 -2.799 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.528 -18.701 -2.096 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.009 -18.126 -3.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.557 -18.915 -4.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.240 -21.817 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.552 -20.107 -4.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.120 -20.919 -5.209 1.00 0.00 H new ATOM 20 N THR A 2 -24.432 -18.208 0.479 1.00 0.00 N ATOM 21 CA THR A 2 -23.486 -17.923 1.552 1.00 0.00 C ATOM 22 C THR A 2 -22.192 -17.330 1.004 1.00 0.00 C ATOM 23 O THR A 2 -21.566 -17.900 0.110 1.00 0.00 O ATOM 24 CB THR A 2 -23.155 -19.196 2.356 1.00 0.00 C ATOM 25 OG1 THR A 2 -24.362 -19.801 2.834 1.00 0.00 O ATOM 26 CG2 THR A 2 -22.246 -18.873 3.533 1.00 0.00 C ATOM 0 H THR A 2 -24.417 -19.174 0.151 1.00 0.00 H new ATOM 0 HA THR A 2 -23.962 -17.197 2.211 1.00 0.00 H new ATOM 0 HB THR A 2 -22.636 -19.890 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 2 -24.143 -20.610 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 2 -22.027 -19.787 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.316 -18.439 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 2 -22.743 -18.162 4.192 1.00 0.00 H new ATOM 34 N ASP A 3 -21.797 -16.179 1.544 1.00 0.00 N ATOM 35 CA ASP A 3 -20.576 -15.510 1.110 1.00 0.00 C ATOM 36 C ASP A 3 -20.086 -14.526 2.169 1.00 0.00 C ATOM 37 O ASP A 3 -20.776 -13.563 2.503 1.00 0.00 O ATOM 38 CB ASP A 3 -20.815 -14.778 -0.213 1.00 0.00 C ATOM 39 CG ASP A 3 -19.610 -13.972 -0.655 1.00 0.00 C ATOM 40 OD1 ASP A 3 -18.603 -14.585 -1.066 1.00 0.00 O ATOM 41 OD2 ASP A 3 -19.673 -12.726 -0.590 1.00 0.00 O ATOM 0 H ASP A 3 -22.305 -15.692 2.282 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.807 -16.269 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.066 -15.504 -0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.673 -14.115 -0.108 1.00 0.00 H new ATOM 46 N ASN A 4 -18.889 -14.775 2.693 1.00 0.00 N ATOM 47 CA ASN A 4 -18.304 -13.911 3.713 1.00 0.00 C ATOM 48 C ASN A 4 -17.622 -12.702 3.077 1.00 0.00 C ATOM 49 O ASN A 4 -17.371 -12.687 1.873 1.00 0.00 O ATOM 50 CB ASN A 4 -17.298 -14.695 4.559 1.00 0.00 C ATOM 51 CG ASN A 4 -17.918 -15.913 5.215 1.00 0.00 C ATOM 52 OD1 ASN A 4 -17.907 -17.008 4.653 1.00 0.00 O ATOM 53 ND2 ASN A 4 -18.469 -15.727 6.409 1.00 0.00 N ATOM 0 H ASN A 4 -18.305 -15.568 2.428 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.108 -13.554 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -16.465 -15.009 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -16.887 -14.041 5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -18.906 -16.509 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.456 -14.802 6.838 1.00 0.00 H new ATOM 60 N SER A 5 -17.326 -11.694 3.899 1.00 0.00 N ATOM 61 CA SER A 5 -16.671 -10.472 3.430 1.00 0.00 C ATOM 62 C SER A 5 -17.543 -9.727 2.421 1.00 0.00 C ATOM 63 O SER A 5 -18.229 -8.766 2.771 1.00 0.00 O ATOM 64 CB SER A 5 -15.309 -10.796 2.810 1.00 0.00 C ATOM 65 OG SER A 5 -14.666 -9.620 2.348 1.00 0.00 O ATOM 0 H SER A 5 -17.531 -11.700 4.898 1.00 0.00 H new ATOM 0 HA SER A 5 -16.522 -9.824 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.679 -11.293 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.439 -11.492 1.982 1.00 0.00 H new ATOM 0 HG SER A 5 -15.151 -8.833 2.673 1.00 0.00 H new ATOM 71 N ASN A 6 -17.507 -10.176 1.168 1.00 0.00 N ATOM 72 CA ASN A 6 -18.294 -9.564 0.101 1.00 0.00 C ATOM 73 C ASN A 6 -17.884 -8.110 -0.127 1.00 0.00 C ATOM 74 O ASN A 6 -18.605 -7.347 -0.771 1.00 0.00 O ATOM 75 CB ASN A 6 -19.789 -9.642 0.430 1.00 0.00 C ATOM 76 CG ASN A 6 -20.669 -9.351 -0.771 1.00 0.00 C ATOM 77 OD1 ASN A 6 -20.189 -9.701 -1.959 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -21.772 -8.821 -0.632 1.00 0.00 N flip ATOM 0 H ASN A 6 -16.937 -10.966 0.866 1.00 0.00 H new ATOM 0 HA ASN A 6 -18.100 -10.119 -0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -20.021 -10.636 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -20.019 -8.932 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -22.103 -8.568 0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -22.355 -8.635 -1.448 1.00 0.00 H new ATOM 85 N ASN A 7 -16.719 -7.731 0.393 1.00 0.00 N ATOM 86 CA ASN A 7 -16.227 -6.365 0.235 1.00 0.00 C ATOM 87 C ASN A 7 -14.700 -6.320 0.269 1.00 0.00 C ATOM 88 O ASN A 7 -14.079 -6.590 1.298 1.00 0.00 O ATOM 89 CB ASN A 7 -16.804 -5.460 1.327 1.00 0.00 C ATOM 90 CG ASN A 7 -16.381 -5.879 2.723 1.00 0.00 C ATOM 91 OD1 ASN A 7 -16.133 -7.056 2.984 1.00 0.00 O ATOM 92 ND2 ASN A 7 -16.294 -4.911 3.629 1.00 0.00 N ATOM 0 H ASN A 7 -16.102 -8.346 0.924 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.557 -6.002 -0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.484 -4.433 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -17.892 -5.470 1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.012 -5.131 4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.509 -3.948 3.369 1.00 0.00 H new ATOM 99 N GLN A 8 -14.099 -5.982 -0.869 1.00 0.00 N ATOM 100 CA GLN A 8 -12.647 -5.894 -0.974 1.00 0.00 C ATOM 101 C GLN A 8 -12.150 -4.553 -0.446 1.00 0.00 C ATOM 102 O GLN A 8 -12.682 -3.501 -0.801 1.00 0.00 O ATOM 103 CB GLN A 8 -12.208 -6.069 -2.430 1.00 0.00 C ATOM 104 CG GLN A 8 -10.827 -6.688 -2.593 1.00 0.00 C ATOM 105 CD GLN A 8 -9.726 -5.862 -1.956 1.00 0.00 C ATOM 106 OE1 GLN A 8 -9.359 -6.082 -0.802 1.00 0.00 O ATOM 107 NE2 GLN A 8 -9.193 -4.902 -2.706 1.00 0.00 N ATOM 0 H GLN A 8 -14.597 -5.764 -1.732 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.214 -6.692 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.937 -6.694 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.218 -5.096 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.828 -7.684 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.613 -6.810 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.527 -4.754 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.450 -4.314 -2.329 1.00 0.00 H new ATOM 116 N LEU A 9 -11.128 -4.594 0.402 1.00 0.00 N ATOM 117 CA LEU A 9 -10.560 -3.378 0.965 1.00 0.00 C ATOM 118 C LEU A 9 -9.610 -2.734 -0.038 1.00 0.00 C ATOM 119 O LEU A 9 -8.491 -3.204 -0.239 1.00 0.00 O ATOM 120 CB LEU A 9 -9.828 -3.692 2.279 1.00 0.00 C ATOM 121 CG LEU A 9 -9.427 -2.483 3.136 1.00 0.00 C ATOM 122 CD1 LEU A 9 -8.195 -1.802 2.564 1.00 0.00 C ATOM 123 CD2 LEU A 9 -10.577 -1.491 3.257 1.00 0.00 C ATOM 0 H LEU A 9 -10.678 -5.455 0.713 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.366 -2.677 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.465 -4.342 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.927 -4.259 2.043 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.187 -2.847 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.929 -0.948 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.365 -2.509 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.406 -1.460 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.265 -0.645 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.858 -1.137 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.432 -1.980 3.723 1.00 0.00 H new ATOM 135 N VAL A 10 -10.071 -1.660 -0.673 1.00 0.00 N ATOM 136 CA VAL A 10 -9.269 -0.950 -1.664 1.00 0.00 C ATOM 137 C VAL A 10 -8.763 0.377 -1.108 1.00 0.00 C ATOM 138 O VAL A 10 -9.397 0.978 -0.243 1.00 0.00 O ATOM 139 CB VAL A 10 -10.083 -0.685 -2.947 1.00 0.00 C ATOM 140 CG1 VAL A 10 -9.213 -0.044 -4.016 1.00 0.00 C ATOM 141 CG2 VAL A 10 -10.706 -1.974 -3.461 1.00 0.00 C ATOM 0 H VAL A 10 -10.997 -1.262 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.417 -1.585 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.886 0.010 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.808 0.134 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.822 0.904 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.384 -0.709 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.276 -1.767 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.919 -2.694 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.370 -2.386 -2.701 1.00 0.00 H new ATOM 151 N VAL A 11 -7.614 0.825 -1.606 1.00 0.00 N ATOM 152 CA VAL A 11 -7.025 2.084 -1.162 1.00 0.00 C ATOM 153 C VAL A 11 -6.658 2.968 -2.348 1.00 0.00 C ATOM 154 O VAL A 11 -6.714 2.534 -3.499 1.00 0.00 O ATOM 155 CB VAL A 11 -5.766 1.853 -0.305 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.151 1.410 1.097 1.00 0.00 C ATOM 157 CG2 VAL A 11 -4.853 0.830 -0.964 1.00 0.00 C ATOM 0 H VAL A 11 -7.072 0.334 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.780 2.583 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.222 2.794 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.250 1.251 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.763 2.180 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.717 0.480 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.969 0.679 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.385 -0.115 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.550 1.192 -1.947 1.00 0.00 H new ATOM 167 N ARG A 12 -6.281 4.209 -2.058 1.00 0.00 N ATOM 168 CA ARG A 12 -5.903 5.156 -3.101 1.00 0.00 C ATOM 169 C ARG A 12 -4.590 5.851 -2.757 1.00 0.00 C ATOM 170 O ARG A 12 -4.367 6.247 -1.613 1.00 0.00 O ATOM 171 CB ARG A 12 -7.003 6.200 -3.300 1.00 0.00 C ATOM 172 CG ARG A 12 -6.813 7.047 -4.548 1.00 0.00 C ATOM 173 CD ARG A 12 -7.677 8.296 -4.514 1.00 0.00 C ATOM 174 NE ARG A 12 -7.251 9.224 -3.469 1.00 0.00 N ATOM 175 CZ ARG A 12 -7.372 10.545 -3.559 1.00 0.00 C ATOM 176 NH1 ARG A 12 -7.914 11.094 -4.639 1.00 0.00 N ATOM 177 NH2 ARG A 12 -6.952 11.320 -2.570 1.00 0.00 N ATOM 0 H ARG A 12 -6.229 4.582 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.769 4.597 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.967 5.695 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.036 6.853 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.765 7.332 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.061 6.457 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.633 8.794 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.717 8.014 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.837 8.836 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.239 10.502 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.005 12.108 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.535 10.903 -1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.046 12.333 -2.641 1.00 0.00 H new ATOM 191 N ALA A 13 -3.724 5.994 -3.756 1.00 0.00 N ATOM 192 CA ALA A 13 -2.434 6.644 -3.564 1.00 0.00 C ATOM 193 C ALA A 13 -2.606 8.085 -3.097 1.00 0.00 C ATOM 194 O ALA A 13 -3.278 8.884 -3.752 1.00 0.00 O ATOM 195 CB ALA A 13 -1.624 6.601 -4.850 1.00 0.00 C ATOM 0 H ALA A 13 -3.894 5.668 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.896 6.100 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.663 7.090 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.459 5.564 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.168 7.118 -5.640 1.00 0.00 H new ATOM 201 N LYS A 14 -1.996 8.412 -1.964 1.00 0.00 N ATOM 202 CA LYS A 14 -2.077 9.759 -1.410 1.00 0.00 C ATOM 203 C LYS A 14 -0.879 10.592 -1.854 1.00 0.00 C ATOM 204 O LYS A 14 -1.030 11.590 -2.560 1.00 0.00 O ATOM 205 CB LYS A 14 -2.132 9.707 0.118 1.00 0.00 C ATOM 206 CG LYS A 14 -3.263 8.847 0.661 1.00 0.00 C ATOM 207 CD LYS A 14 -3.194 8.725 2.175 1.00 0.00 C ATOM 208 CE LYS A 14 -3.468 10.056 2.860 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.825 10.578 2.540 1.00 0.00 N ATOM 0 H LYS A 14 -1.439 7.762 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.990 10.225 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.183 9.324 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.241 10.721 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.221 9.280 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.214 7.855 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.919 7.985 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.208 8.362 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.371 9.935 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.717 10.784 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.916 11.550 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.964 10.574 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.544 9.975 2.989 1.00 0.00 H new ATOM 223 N PHE A 15 0.312 10.173 -1.434 1.00 0.00 N ATOM 224 CA PHE A 15 1.540 10.873 -1.788 1.00 0.00 C ATOM 225 C PHE A 15 2.285 10.131 -2.894 1.00 0.00 C ATOM 226 O PHE A 15 1.962 8.986 -3.211 1.00 0.00 O ATOM 227 CB PHE A 15 2.446 11.018 -0.562 1.00 0.00 C ATOM 228 CG PHE A 15 1.740 11.529 0.663 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.030 12.719 0.628 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.787 10.815 1.851 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.381 13.189 1.754 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.139 11.280 2.980 1.00 0.00 C ATOM 233 CZ PHE A 15 0.436 12.468 2.931 1.00 0.00 C ATOM 0 H PHE A 15 0.451 9.350 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 15 1.270 11.865 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.891 10.049 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.265 11.695 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.983 13.286 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.336 9.886 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.168 14.118 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.182 10.715 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.070 12.833 3.812 1.00 0.00 H new ATOM 243 N ASN A 16 3.281 10.789 -3.476 1.00 0.00 N ATOM 244 CA ASN A 16 4.075 10.188 -4.543 1.00 0.00 C ATOM 245 C ASN A 16 5.053 9.163 -3.976 1.00 0.00 C ATOM 246 O ASN A 16 5.608 9.352 -2.894 1.00 0.00 O ATOM 247 CB ASN A 16 4.836 11.269 -5.312 1.00 0.00 C ATOM 248 CG ASN A 16 5.730 12.100 -4.413 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.183 13.185 -3.877 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 6.896 11.769 -4.202 1.00 0.00 N flip ATOM 0 H ASN A 16 3.558 11.739 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 16 3.397 9.678 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.441 10.800 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.123 11.923 -5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.273 10.927 -4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.485 12.337 -3.593 1.00 0.00 H new ATOM 257 N PHE A 17 5.259 8.077 -4.717 1.00 0.00 N ATOM 258 CA PHE A 17 6.171 7.021 -4.287 1.00 0.00 C ATOM 259 C PHE A 17 6.939 6.454 -5.477 1.00 0.00 C ATOM 260 O PHE A 17 6.397 6.334 -6.576 1.00 0.00 O ATOM 261 CB PHE A 17 5.390 5.904 -3.589 1.00 0.00 C ATOM 262 CG PHE A 17 6.259 4.924 -2.851 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.765 5.236 -1.599 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.564 3.692 -3.406 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.560 4.336 -0.915 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.359 2.789 -2.726 1.00 0.00 C ATOM 267 CZ PHE A 17 7.858 3.111 -1.479 1.00 0.00 C ATOM 0 H PHE A 17 4.808 7.906 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 17 6.887 7.449 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.685 6.350 -2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.802 5.366 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.536 6.193 -1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.176 3.434 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.948 4.590 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.590 1.832 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.480 2.407 -0.946 1.00 0.00 H new ATOM 277 N GLN A 18 8.204 6.111 -5.252 1.00 0.00 N ATOM 278 CA GLN A 18 9.046 5.558 -6.307 1.00 0.00 C ATOM 279 C GLN A 18 9.578 4.185 -5.914 1.00 0.00 C ATOM 280 O GLN A 18 10.277 4.044 -4.909 1.00 0.00 O ATOM 281 CB GLN A 18 10.211 6.503 -6.607 1.00 0.00 C ATOM 282 CG GLN A 18 9.772 7.879 -7.081 1.00 0.00 C ATOM 283 CD GLN A 18 10.940 8.820 -7.313 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.002 8.651 -6.534 1.00 0.00 O flip ATOM 285 NE2 GLN A 18 10.885 9.691 -8.181 1.00 0.00 N flip ATOM 0 H GLN A 18 8.668 6.206 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 18 8.437 5.448 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.818 6.614 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.847 6.052 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.205 7.776 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.100 8.316 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.048 9.785 -8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.676 10.319 -8.324 1.00 0.00 H new ATOM 294 N GLN A 19 9.245 3.173 -6.710 1.00 0.00 N ATOM 295 CA GLN A 19 9.691 1.811 -6.443 1.00 0.00 C ATOM 296 C GLN A 19 11.173 1.652 -6.762 1.00 0.00 C ATOM 297 O GLN A 19 11.720 2.373 -7.596 1.00 0.00 O ATOM 298 CB GLN A 19 8.873 0.810 -7.264 1.00 0.00 C ATOM 299 CG GLN A 19 9.035 0.977 -8.765 1.00 0.00 C ATOM 300 CD GLN A 19 8.261 -0.059 -9.557 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.092 0.139 -9.886 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.914 -1.173 -9.872 1.00 0.00 N ATOM 0 H GLN A 19 8.668 3.271 -7.545 1.00 0.00 H new ATOM 0 HA GLN A 19 9.540 1.610 -5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.168 -0.202 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.819 0.917 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.700 1.973 -9.054 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.092 0.909 -9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.883 -1.296 -9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.446 -1.905 -10.407 1.00 0.00 H new ATOM 311 N THR A 20 11.817 0.702 -6.091 1.00 0.00 N ATOM 312 CA THR A 20 13.235 0.442 -6.305 1.00 0.00 C ATOM 313 C THR A 20 13.444 -0.913 -6.972 1.00 0.00 C ATOM 314 O THR A 20 14.500 -1.179 -7.543 1.00 0.00 O ATOM 315 CB THR A 20 14.017 0.478 -4.978 1.00 0.00 C ATOM 316 OG1 THR A 20 13.474 -0.481 -4.063 1.00 0.00 O ATOM 317 CG2 THR A 20 13.964 1.865 -4.357 1.00 0.00 C ATOM 0 H THR A 20 11.378 0.100 -5.394 1.00 0.00 H new ATOM 0 HA THR A 20 13.611 1.229 -6.959 1.00 0.00 H new ATOM 0 HB THR A 20 15.058 0.230 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.978 -0.453 -3.223 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.523 1.866 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.404 2.588 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.927 2.136 -4.161 1.00 0.00 H new ATOM 325 N ASN A 21 12.421 -1.762 -6.899 1.00 0.00 N ATOM 326 CA ASN A 21 12.478 -3.095 -7.491 1.00 0.00 C ATOM 327 C ASN A 21 11.083 -3.561 -7.897 1.00 0.00 C ATOM 328 O ASN A 21 10.080 -3.004 -7.453 1.00 0.00 O ATOM 329 CB ASN A 21 13.090 -4.094 -6.504 1.00 0.00 C ATOM 330 CG ASN A 21 14.593 -3.944 -6.375 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.283 -3.623 -7.343 1.00 0.00 O ATOM 332 ND2 ASN A 21 15.108 -4.175 -5.174 1.00 0.00 N ATOM 0 H ASN A 21 11.539 -1.548 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 21 13.106 -3.045 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.630 -3.959 -5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.857 -5.108 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.113 -4.089 -5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.498 -4.439 -4.400 1.00 0.00 H new ATOM 339 N GLU A 22 11.027 -4.585 -8.741 1.00 0.00 N ATOM 340 CA GLU A 22 9.753 -5.123 -9.204 1.00 0.00 C ATOM 341 C GLU A 22 8.997 -5.789 -8.059 1.00 0.00 C ATOM 342 O GLU A 22 7.786 -5.995 -8.140 1.00 0.00 O ATOM 343 CB GLU A 22 9.980 -6.126 -10.338 1.00 0.00 C ATOM 344 CG GLU A 22 10.602 -5.507 -11.580 1.00 0.00 C ATOM 345 CD GLU A 22 9.722 -4.443 -12.205 1.00 0.00 C ATOM 346 OE1 GLU A 22 9.854 -3.261 -11.823 1.00 0.00 O ATOM 347 OE2 GLU A 22 8.899 -4.790 -13.078 1.00 0.00 O ATOM 0 H GLU A 22 11.848 -5.059 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 22 9.151 -4.295 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.625 -6.928 -9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.026 -6.580 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.566 -5.069 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.796 -6.290 -12.313 1.00 0.00 H new ATOM 354 N ASP A 23 9.719 -6.124 -6.993 1.00 0.00 N ATOM 355 CA ASP A 23 9.112 -6.757 -5.828 1.00 0.00 C ATOM 356 C ASP A 23 8.320 -5.738 -5.019 1.00 0.00 C ATOM 357 O ASP A 23 7.509 -6.100 -4.166 1.00 0.00 O ATOM 358 CB ASP A 23 10.185 -7.400 -4.946 1.00 0.00 C ATOM 359 CG ASP A 23 10.987 -8.456 -5.681 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.962 -8.088 -6.369 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.641 -9.650 -5.568 1.00 0.00 O ATOM 0 H ASP A 23 10.724 -5.968 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 23 8.433 -7.534 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.860 -6.627 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.711 -7.850 -4.074 1.00 0.00 H new ATOM 366 N GLU A 24 8.563 -4.460 -5.295 1.00 0.00 N ATOM 367 CA GLU A 24 7.876 -3.379 -4.599 1.00 0.00 C ATOM 368 C GLU A 24 6.672 -2.909 -5.413 1.00 0.00 C ATOM 369 O GLU A 24 6.254 -3.583 -6.355 1.00 0.00 O ATOM 370 CB GLU A 24 8.842 -2.217 -4.352 1.00 0.00 C ATOM 371 CG GLU A 24 8.543 -1.429 -3.086 1.00 0.00 C ATOM 372 CD GLU A 24 9.623 -0.416 -2.761 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.585 0.695 -3.328 1.00 0.00 O ATOM 374 OE2 GLU A 24 10.507 -0.735 -1.938 1.00 0.00 O ATOM 0 H GLU A 24 9.233 -4.148 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 24 7.520 -3.747 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.858 -2.607 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.808 -1.541 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.589 -0.914 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.434 -2.120 -2.250 1.00 0.00 H new ATOM 381 N LEU A 25 6.117 -1.756 -5.051 1.00 0.00 N ATOM 382 CA LEU A 25 4.958 -1.218 -5.755 1.00 0.00 C ATOM 383 C LEU A 25 4.965 0.308 -5.735 1.00 0.00 C ATOM 384 O LEU A 25 4.886 0.926 -4.673 1.00 0.00 O ATOM 385 CB LEU A 25 3.668 -1.745 -5.121 1.00 0.00 C ATOM 386 CG LEU A 25 2.465 -1.852 -6.064 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.316 -2.581 -5.382 1.00 0.00 C ATOM 388 CD2 LEU A 25 2.015 -0.473 -6.522 1.00 0.00 C ATOM 0 H LEU A 25 6.449 -1.179 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 25 5.008 -1.545 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.867 -2.731 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.399 -1.093 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 25 2.770 -2.424 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.470 -2.648 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.637 -3.585 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.017 -2.033 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.160 -0.573 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.730 0.123 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.832 0.020 -7.049 1.00 0.00 H new ATOM 400 N SER A 26 5.061 0.909 -6.918 1.00 0.00 N ATOM 401 CA SER A 26 5.069 2.363 -7.043 1.00 0.00 C ATOM 402 C SER A 26 3.668 2.885 -7.335 1.00 0.00 C ATOM 403 O SER A 26 2.817 2.153 -7.841 1.00 0.00 O ATOM 404 CB SER A 26 6.025 2.797 -8.155 1.00 0.00 C ATOM 405 OG SER A 26 5.997 4.203 -8.332 1.00 0.00 O ATOM 0 H SER A 26 5.134 0.410 -7.805 1.00 0.00 H new ATOM 0 HA SER A 26 5.410 2.783 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.039 2.478 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.750 2.304 -9.088 1.00 0.00 H new ATOM 0 HG SER A 26 6.185 4.644 -7.477 1.00 0.00 H new ATOM 411 N PHE A 27 3.431 4.155 -7.022 1.00 0.00 N ATOM 412 CA PHE A 27 2.127 4.761 -7.256 1.00 0.00 C ATOM 413 C PHE A 27 2.199 6.283 -7.204 1.00 0.00 C ATOM 414 O PHE A 27 3.110 6.855 -6.605 1.00 0.00 O ATOM 415 CB PHE A 27 1.110 4.250 -6.231 1.00 0.00 C ATOM 416 CG PHE A 27 1.580 4.353 -4.805 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.636 5.582 -4.163 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.961 3.219 -4.104 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.062 5.676 -2.853 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.389 3.308 -2.793 1.00 0.00 C ATOM 421 CZ PHE A 27 2.440 4.538 -2.166 1.00 0.00 C ATOM 0 H PHE A 27 4.122 4.781 -6.608 1.00 0.00 H new ATOM 0 HA PHE A 27 1.805 4.473 -8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.184 4.814 -6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.877 3.209 -6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.343 6.475 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.923 2.254 -4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.100 6.639 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.683 2.417 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.774 4.610 -1.142 1.00 0.00 H new ATOM 431 N SER A 28 1.227 6.928 -7.839 1.00 0.00 N ATOM 432 CA SER A 28 1.157 8.383 -7.870 1.00 0.00 C ATOM 433 C SER A 28 -0.237 8.855 -7.472 1.00 0.00 C ATOM 434 O SER A 28 -1.210 8.115 -7.616 1.00 0.00 O ATOM 435 CB SER A 28 1.507 8.901 -9.267 1.00 0.00 C ATOM 436 OG SER A 28 2.814 8.504 -9.645 1.00 0.00 O ATOM 0 H SER A 28 0.472 6.462 -8.342 1.00 0.00 H new ATOM 0 HA SER A 28 1.879 8.780 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.785 8.522 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.435 9.988 -9.284 1.00 0.00 H new ATOM 0 HG SER A 28 3.013 8.846 -10.542 1.00 0.00 H new ATOM 442 N LYS A 29 -0.323 10.080 -6.958 1.00 0.00 N ATOM 443 CA LYS A 29 -1.601 10.653 -6.536 1.00 0.00 C ATOM 444 C LYS A 29 -2.688 10.418 -7.583 1.00 0.00 C ATOM 445 O LYS A 29 -2.764 11.131 -8.584 1.00 0.00 O ATOM 446 CB LYS A 29 -1.448 12.152 -6.269 1.00 0.00 C ATOM 447 CG LYS A 29 -2.711 12.807 -5.731 1.00 0.00 C ATOM 448 CD LYS A 29 -2.486 14.276 -5.405 1.00 0.00 C ATOM 449 CE LYS A 29 -1.499 14.452 -4.261 1.00 0.00 C ATOM 450 NZ LYS A 29 -1.339 15.883 -3.881 1.00 0.00 N ATOM 0 H LYS A 29 0.478 10.697 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.903 10.153 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.638 12.305 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.157 12.649 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.510 12.715 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.041 12.281 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.114 14.793 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.436 14.740 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.840 13.883 -3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.531 14.043 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.658 15.960 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.989 16.422 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.257 16.267 -3.580 1.00 0.00 H new ATOM 464 N GLY A 30 -3.524 9.410 -7.346 1.00 0.00 N ATOM 465 CA GLY A 30 -4.595 9.098 -8.275 1.00 0.00 C ATOM 466 C GLY A 30 -4.723 7.611 -8.542 1.00 0.00 C ATOM 467 O GLY A 30 -5.827 7.064 -8.532 1.00 0.00 O ATOM 0 H GLY A 30 -3.478 8.804 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.537 9.474 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.417 9.618 -9.216 1.00 0.00 H new ATOM 471 N ASP A 31 -3.591 6.954 -8.784 1.00 0.00 N ATOM 472 CA ASP A 31 -3.579 5.520 -9.059 1.00 0.00 C ATOM 473 C ASP A 31 -4.192 4.730 -7.906 1.00 0.00 C ATOM 474 O ASP A 31 -3.745 4.831 -6.763 1.00 0.00 O ATOM 475 CB ASP A 31 -2.149 5.040 -9.319 1.00 0.00 C ATOM 476 CG ASP A 31 -1.498 5.761 -10.482 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.868 6.814 -10.250 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.619 5.273 -11.626 1.00 0.00 O ATOM 0 H ASP A 31 -2.670 7.392 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.183 5.346 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.550 5.190 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.159 3.969 -9.520 1.00 0.00 H new ATOM 483 N VAL A 32 -5.220 3.946 -8.218 1.00 0.00 N ATOM 484 CA VAL A 32 -5.901 3.130 -7.216 1.00 0.00 C ATOM 485 C VAL A 32 -5.304 1.729 -7.178 1.00 0.00 C ATOM 486 O VAL A 32 -4.914 1.192 -8.211 1.00 0.00 O ATOM 487 CB VAL A 32 -7.412 3.031 -7.505 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.117 2.237 -6.413 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.021 4.418 -7.643 1.00 0.00 C ATOM 0 H VAL A 32 -5.601 3.858 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.762 3.614 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.548 2.503 -8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.182 2.179 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.700 1.231 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.974 2.732 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.088 4.328 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.874 4.974 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.538 4.947 -8.464 1.00 0.00 H new ATOM 499 N ILE A 33 -5.240 1.133 -5.991 1.00 0.00 N ATOM 500 CA ILE A 33 -4.670 -0.203 -5.848 1.00 0.00 C ATOM 501 C ILE A 33 -5.579 -1.125 -5.041 1.00 0.00 C ATOM 502 O ILE A 33 -6.140 -0.726 -4.020 1.00 0.00 O ATOM 503 CB ILE A 33 -3.286 -0.149 -5.170 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.369 0.827 -5.910 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.665 -1.538 -5.125 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.037 1.050 -5.223 1.00 0.00 C ATOM 0 H ILE A 33 -5.573 1.549 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.567 -0.604 -6.856 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.412 0.205 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.190 0.451 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.880 1.784 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.688 -1.485 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.312 -2.208 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.549 -1.918 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.441 1.753 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.206 1.456 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.505 0.102 -5.144 1.00 0.00 H new ATOM 518 N HIS A 34 -5.717 -2.362 -5.512 1.00 0.00 N ATOM 519 CA HIS A 34 -6.546 -3.354 -4.839 1.00 0.00 C ATOM 520 C HIS A 34 -5.707 -4.176 -3.866 1.00 0.00 C ATOM 521 O HIS A 34 -4.793 -4.893 -4.273 1.00 0.00 O ATOM 522 CB HIS A 34 -7.207 -4.277 -5.864 1.00 0.00 C ATOM 523 CG HIS A 34 -8.083 -3.556 -6.841 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.643 -3.136 -8.078 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.382 -3.184 -6.758 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.633 -2.534 -8.714 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.698 -2.551 -7.935 1.00 0.00 N ATOM 0 H HIS A 34 -5.263 -2.700 -6.360 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.323 -2.832 -4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.432 -4.814 -6.411 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.801 -5.024 -5.338 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.045 -3.353 -5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.579 -2.102 -9.702 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.609 -2.157 -8.169 1.00 0.00 H new ATOM 536 N VAL A 35 -6.026 -4.070 -2.581 1.00 0.00 N ATOM 537 CA VAL A 35 -5.291 -4.794 -1.549 1.00 0.00 C ATOM 538 C VAL A 35 -5.647 -6.279 -1.548 1.00 0.00 C ATOM 539 O VAL A 35 -6.807 -6.651 -1.724 1.00 0.00 O ATOM 540 CB VAL A 35 -5.572 -4.210 -0.151 1.00 0.00 C ATOM 541 CG1 VAL A 35 -4.581 -4.754 0.867 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.530 -2.689 -0.189 1.00 0.00 C ATOM 0 H VAL A 35 -6.788 -3.490 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.232 -4.682 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.573 -4.515 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.797 -4.329 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.667 -5.840 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.568 -4.483 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.731 -2.294 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.544 -2.360 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.285 -2.321 -0.884 1.00 0.00 H new ATOM 552 N THR A 36 -4.635 -7.120 -1.347 1.00 0.00 N ATOM 553 CA THR A 36 -4.830 -8.566 -1.315 1.00 0.00 C ATOM 554 C THR A 36 -4.500 -9.125 0.066 1.00 0.00 C ATOM 555 O THR A 36 -4.760 -10.294 0.354 1.00 0.00 O ATOM 556 CB THR A 36 -3.956 -9.279 -2.365 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.572 -8.998 -2.125 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.330 -8.836 -3.772 1.00 0.00 C ATOM 0 H THR A 36 -3.670 -6.823 -1.204 1.00 0.00 H new ATOM 0 HA THR A 36 -5.879 -8.751 -1.546 1.00 0.00 H new ATOM 0 HB THR A 36 -4.129 -10.352 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.024 -9.456 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.700 -9.353 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.375 -9.077 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.183 -7.760 -3.866 1.00 0.00 H new ATOM 566 N ARG A 37 -3.925 -8.276 0.913 1.00 0.00 N ATOM 567 CA ARG A 37 -3.558 -8.666 2.271 1.00 0.00 C ATOM 568 C ARG A 37 -3.667 -7.470 3.211 1.00 0.00 C ATOM 569 O ARG A 37 -2.957 -6.478 3.052 1.00 0.00 O ATOM 570 CB ARG A 37 -2.134 -9.228 2.305 1.00 0.00 C ATOM 571 CG ARG A 37 -1.974 -10.541 1.556 1.00 0.00 C ATOM 572 CD ARG A 37 -0.559 -11.084 1.678 1.00 0.00 C ATOM 573 NE ARG A 37 -0.168 -11.284 3.071 1.00 0.00 N ATOM 574 CZ ARG A 37 1.004 -11.788 3.445 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.899 -12.146 2.533 1.00 0.00 N ATOM 576 NH2 ARG A 37 1.284 -11.934 4.733 1.00 0.00 N ATOM 0 H ARG A 37 -3.702 -7.308 0.681 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.247 -9.443 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.453 -8.492 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.836 -9.374 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.681 -11.273 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.219 -10.393 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.486 -12.030 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.137 -10.393 1.202 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.833 -11.022 3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.689 -12.035 1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.797 -12.532 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.600 -11.660 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.184 -12.321 5.019 1.00 0.00 H new ATOM 590 N VAL A 38 -4.561 -7.570 4.189 1.00 0.00 N ATOM 591 CA VAL A 38 -4.767 -6.488 5.145 1.00 0.00 C ATOM 592 C VAL A 38 -4.353 -6.895 6.555 1.00 0.00 C ATOM 593 O VAL A 38 -5.009 -7.720 7.192 1.00 0.00 O ATOM 594 CB VAL A 38 -6.240 -6.035 5.169 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.423 -4.856 6.112 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.713 -5.687 3.765 1.00 0.00 C ATOM 0 H VAL A 38 -5.153 -8.387 4.340 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.139 -5.661 4.815 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.849 -6.860 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.470 -4.551 6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.127 -5.147 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.804 -4.024 5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.755 -5.369 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.101 -4.879 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.623 -6.563 3.123 1.00 0.00 H new ATOM 606 N GLU A 39 -3.259 -6.313 7.033 1.00 0.00 N ATOM 607 CA GLU A 39 -2.761 -6.600 8.373 1.00 0.00 C ATOM 608 C GLU A 39 -3.182 -5.502 9.343 1.00 0.00 C ATOM 609 O GLU A 39 -3.715 -4.472 8.932 1.00 0.00 O ATOM 610 CB GLU A 39 -1.236 -6.734 8.359 1.00 0.00 C ATOM 611 CG GLU A 39 -0.732 -7.846 7.454 1.00 0.00 C ATOM 612 CD GLU A 39 -1.241 -9.213 7.872 1.00 0.00 C ATOM 613 OE1 GLU A 39 -0.587 -9.855 8.721 1.00 0.00 O ATOM 614 OE2 GLU A 39 -2.292 -9.640 7.351 1.00 0.00 O ATOM 0 H GLU A 39 -2.699 -5.638 6.511 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.192 -7.545 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.799 -5.789 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.886 -6.917 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.043 -7.644 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.358 -7.850 7.462 1.00 0.00 H new ATOM 621 N GLU A 40 -2.942 -5.725 10.630 1.00 0.00 N ATOM 622 CA GLU A 40 -3.302 -4.745 11.650 1.00 0.00 C ATOM 623 C GLU A 40 -2.224 -3.671 11.783 1.00 0.00 C ATOM 624 O GLU A 40 -1.279 -3.815 12.558 1.00 0.00 O ATOM 625 CB GLU A 40 -3.535 -5.436 12.999 1.00 0.00 C ATOM 626 CG GLU A 40 -2.431 -6.402 13.396 1.00 0.00 C ATOM 627 CD GLU A 40 -2.676 -7.040 14.750 1.00 0.00 C ATOM 628 OE1 GLU A 40 -2.341 -6.409 15.774 1.00 0.00 O ATOM 629 OE2 GLU A 40 -3.201 -8.173 14.785 1.00 0.00 O ATOM 0 H GLU A 40 -2.502 -6.571 10.992 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.228 -4.260 11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.634 -4.675 13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.481 -5.977 12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.347 -7.183 12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.479 -5.872 13.415 1.00 0.00 H new ATOM 636 N GLY A 41 -2.375 -2.595 11.015 1.00 0.00 N ATOM 637 CA GLY A 41 -1.411 -1.511 11.058 1.00 0.00 C ATOM 638 C GLY A 41 -0.039 -1.936 10.573 1.00 0.00 C ATOM 639 O GLY A 41 0.701 -2.607 11.296 1.00 0.00 O ATOM 0 H GLY A 41 -3.148 -2.455 10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.770 -0.685 10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.333 -1.139 12.079 1.00 0.00 H new ATOM 643 N GLY A 42 0.307 -1.542 9.352 1.00 0.00 N ATOM 644 CA GLY A 42 1.597 -1.903 8.794 1.00 0.00 C ATOM 645 C GLY A 42 1.583 -1.943 7.279 1.00 0.00 C ATOM 646 O GLY A 42 0.647 -1.454 6.647 1.00 0.00 O ATOM 0 H GLY A 42 -0.283 -0.979 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.347 -1.187 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.895 -2.879 9.177 1.00 0.00 H new ATOM 650 N TRP A 43 2.623 -2.531 6.697 1.00 0.00 N ATOM 651 CA TRP A 43 2.735 -2.632 5.246 1.00 0.00 C ATOM 652 C TRP A 43 1.620 -3.490 4.657 1.00 0.00 C ATOM 653 O TRP A 43 1.321 -4.572 5.164 1.00 0.00 O ATOM 654 CB TRP A 43 4.092 -3.218 4.861 1.00 0.00 C ATOM 655 CG TRP A 43 5.178 -2.193 4.764 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.952 -1.717 5.781 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.608 -1.516 3.580 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.843 -0.788 5.300 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.652 -0.647 3.951 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.214 -1.563 2.240 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.305 0.168 3.031 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.865 -0.753 1.328 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.901 0.102 1.727 1.00 0.00 C ATOM 0 H TRP A 43 3.402 -2.946 7.209 1.00 0.00 H new ATOM 0 HA TRP A 43 2.643 -1.626 4.837 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.377 -3.969 5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.999 -3.730 3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.876 -2.025 6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.534 -0.285 5.857 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.417 -2.219 1.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.103 0.829 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.570 -0.780 0.289 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.390 0.721 0.989 1.00 0.00 H new ATOM 674 N TRP A 44 1.013 -2.998 3.581 1.00 0.00 N ATOM 675 CA TRP A 44 -0.063 -3.718 2.910 1.00 0.00 C ATOM 676 C TRP A 44 0.325 -4.050 1.471 1.00 0.00 C ATOM 677 O TRP A 44 0.907 -3.224 0.769 1.00 0.00 O ATOM 678 CB TRP A 44 -1.354 -2.892 2.915 1.00 0.00 C ATOM 679 CG TRP A 44 -2.014 -2.788 4.262 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.643 -3.418 5.417 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.171 -2.007 4.585 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.497 -3.073 6.437 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.442 -2.209 5.952 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.003 -1.156 3.852 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.509 -1.590 6.599 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.062 -0.543 4.496 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.307 -0.763 5.857 1.00 0.00 C ATOM 0 H TRP A 44 1.249 -2.102 3.155 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.233 -4.646 3.455 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.131 -1.888 2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.058 -3.335 2.211 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.802 -4.089 5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.437 -3.406 7.399 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.822 -0.980 2.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.699 -1.757 7.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.711 0.117 3.940 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.143 -0.270 6.331 1.00 0.00 H new ATOM 698 N GLU A 45 -0.004 -5.262 1.041 1.00 0.00 N ATOM 699 CA GLU A 45 0.298 -5.707 -0.317 1.00 0.00 C ATOM 700 C GLU A 45 -0.943 -5.625 -1.201 1.00 0.00 C ATOM 701 O GLU A 45 -2.066 -5.788 -0.724 1.00 0.00 O ATOM 702 CB GLU A 45 0.828 -7.143 -0.299 1.00 0.00 C ATOM 703 CG GLU A 45 1.115 -7.709 -1.682 1.00 0.00 C ATOM 704 CD GLU A 45 1.669 -9.120 -1.632 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.865 -10.068 -1.511 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.905 -9.276 -1.713 1.00 0.00 O ATOM 0 H GLU A 45 -0.482 -5.958 1.614 1.00 0.00 H new ATOM 0 HA GLU A 45 1.063 -5.049 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.742 -7.176 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.101 -7.783 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.197 -7.704 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.826 -7.062 -2.195 1.00 0.00 H new ATOM 713 N GLY A 46 -0.732 -5.370 -2.489 1.00 0.00 N ATOM 714 CA GLY A 46 -1.842 -5.272 -3.421 1.00 0.00 C ATOM 715 C GLY A 46 -1.411 -5.464 -4.862 1.00 0.00 C ATOM 716 O GLY A 46 -0.295 -5.913 -5.125 1.00 0.00 O ATOM 0 H GLY A 46 0.189 -5.229 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.592 -6.021 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.316 -4.296 -3.314 1.00 0.00 H new ATOM 720 N THR A 47 -2.294 -5.123 -5.797 1.00 0.00 N ATOM 721 CA THR A 47 -1.994 -5.267 -7.217 1.00 0.00 C ATOM 722 C THR A 47 -2.370 -4.008 -7.996 1.00 0.00 C ATOM 723 O THR A 47 -3.341 -3.328 -7.667 1.00 0.00 O ATOM 724 CB THR A 47 -2.736 -6.473 -7.824 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.411 -7.664 -7.096 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.370 -6.657 -9.288 1.00 0.00 C ATOM 0 H THR A 47 -3.220 -4.746 -5.597 1.00 0.00 H new ATOM 0 HA THR A 47 -0.919 -5.428 -7.297 1.00 0.00 H new ATOM 0 HB THR A 47 -3.807 -6.282 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.887 -8.426 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.907 -7.515 -9.692 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.643 -5.762 -9.847 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.297 -6.827 -9.376 1.00 0.00 H new ATOM 734 N LEU A 48 -1.592 -3.712 -9.034 1.00 0.00 N ATOM 735 CA LEU A 48 -1.836 -2.544 -9.873 1.00 0.00 C ATOM 736 C LEU A 48 -1.374 -2.810 -11.304 1.00 0.00 C ATOM 737 O LEU A 48 -0.604 -3.739 -11.552 1.00 0.00 O ATOM 738 CB LEU A 48 -1.124 -1.312 -9.302 1.00 0.00 C ATOM 739 CG LEU A 48 -1.402 0.007 -10.033 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.895 0.267 -10.123 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.705 1.163 -9.331 1.00 0.00 C ATOM 0 H LEU A 48 -0.784 -4.268 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.908 -2.347 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.415 -1.197 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.050 -1.496 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.006 -0.075 -11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.070 1.208 -10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.374 -0.546 -10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.315 0.326 -9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.913 2.091 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.072 1.242 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.370 0.986 -9.318 1.00 0.00 H new ATOM 753 N ASN A 49 -1.852 -1.994 -12.239 1.00 0.00 N ATOM 754 CA ASN A 49 -1.501 -2.143 -13.648 1.00 0.00 C ATOM 755 C ASN A 49 0.012 -2.205 -13.850 1.00 0.00 C ATOM 756 O ASN A 49 0.691 -1.177 -13.855 1.00 0.00 O ATOM 757 CB ASN A 49 -2.082 -0.985 -14.461 1.00 0.00 C ATOM 758 CG ASN A 49 -3.555 -0.757 -14.183 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.266 -1.820 -13.820 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -4.052 0.365 -14.291 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.486 -1.219 -12.045 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.927 -3.085 -13.995 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.528 -0.074 -14.235 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.944 -1.187 -15.523 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.471 1.155 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.044 0.504 -14.099 1.00 0.00 H new ATOM 767 N GLY A 50 0.534 -3.418 -14.011 1.00 0.00 N ATOM 768 CA GLY A 50 1.960 -3.597 -14.228 1.00 0.00 C ATOM 769 C GLY A 50 2.779 -3.482 -12.955 1.00 0.00 C ATOM 770 O GLY A 50 3.944 -3.881 -12.928 1.00 0.00 O ATOM 0 H GLY A 50 -0.007 -4.283 -13.995 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.133 -4.576 -14.676 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.308 -2.853 -14.944 1.00 0.00 H new ATOM 774 N ARG A 51 2.180 -2.937 -11.900 1.00 0.00 N ATOM 775 CA ARG A 51 2.880 -2.775 -10.630 1.00 0.00 C ATOM 776 C ARG A 51 2.244 -3.630 -9.540 1.00 0.00 C ATOM 777 O ARG A 51 1.070 -3.468 -9.215 1.00 0.00 O ATOM 778 CB ARG A 51 2.881 -1.306 -10.205 1.00 0.00 C ATOM 779 CG ARG A 51 3.596 -0.391 -11.184 1.00 0.00 C ATOM 780 CD ARG A 51 3.532 1.061 -10.739 1.00 0.00 C ATOM 781 NE ARG A 51 4.219 1.947 -11.674 1.00 0.00 N ATOM 782 CZ ARG A 51 3.975 3.251 -11.771 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.057 3.818 -10.999 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.648 3.987 -12.642 1.00 0.00 N ATOM 0 H ARG A 51 1.217 -2.602 -11.899 1.00 0.00 H new ATOM 0 HA ARG A 51 3.909 -3.106 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.851 -0.969 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.355 -1.220 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.638 -0.699 -11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.145 -0.490 -12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.490 1.367 -10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.981 1.158 -9.750 1.00 0.00 H new ATOM 0 HE ARG A 51 4.926 1.543 -12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.536 3.254 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.873 4.818 -11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.353 3.554 -13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.461 4.987 -12.717 1.00 0.00 H new ATOM 798 N THR A 52 3.034 -4.537 -8.976 1.00 0.00 N ATOM 799 CA THR A 52 2.555 -5.417 -7.917 1.00 0.00 C ATOM 800 C THR A 52 3.596 -5.551 -6.813 1.00 0.00 C ATOM 801 O THR A 52 4.778 -5.762 -7.083 1.00 0.00 O ATOM 802 CB THR A 52 2.213 -6.819 -8.460 1.00 0.00 C ATOM 803 OG1 THR A 52 1.208 -6.719 -9.477 1.00 0.00 O ATOM 804 CG2 THR A 52 1.719 -7.728 -7.342 1.00 0.00 C ATOM 0 H THR A 52 4.010 -4.682 -9.235 1.00 0.00 H new ATOM 0 HA THR A 52 1.649 -4.966 -7.511 1.00 0.00 H new ATOM 0 HB THR A 52 3.120 -7.250 -8.885 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.997 -7.613 -9.818 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.484 -8.711 -7.750 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.495 -7.826 -6.583 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.824 -7.298 -6.892 1.00 0.00 H new ATOM 812 N GLY A 53 3.150 -5.427 -5.568 1.00 0.00 N ATOM 813 CA GLY A 53 4.057 -5.535 -4.442 1.00 0.00 C ATOM 814 C GLY A 53 3.518 -4.865 -3.195 1.00 0.00 C ATOM 815 O GLY A 53 2.330 -4.550 -3.116 1.00 0.00 O ATOM 0 H GLY A 53 2.176 -5.254 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.246 -6.588 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.014 -5.086 -4.707 1.00 0.00 H new ATOM 819 N TRP A 54 4.393 -4.648 -2.219 1.00 0.00 N ATOM 820 CA TRP A 54 4.002 -4.011 -0.967 1.00 0.00 C ATOM 821 C TRP A 54 3.948 -2.493 -1.116 1.00 0.00 C ATOM 822 O TRP A 54 4.626 -1.918 -1.968 1.00 0.00 O ATOM 823 CB TRP A 54 4.978 -4.392 0.148 1.00 0.00 C ATOM 824 CG TRP A 54 4.984 -5.858 0.458 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.789 -6.811 -0.099 1.00 0.00 C ATOM 826 CD2 TRP A 54 4.144 -6.539 1.397 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.501 -8.042 0.438 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.495 -7.902 1.358 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.131 -6.130 2.268 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.867 -8.857 2.156 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.509 -7.078 3.060 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.880 -8.427 2.999 1.00 0.00 C ATOM 0 H TRP A 54 5.379 -4.904 -2.271 1.00 0.00 H new ATOM 0 HA TRP A 54 3.004 -4.365 -0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.984 -4.085 -0.139 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.721 -3.838 1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.541 -6.624 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.961 -8.918 0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.839 -5.092 2.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.150 -9.898 2.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.724 -6.773 3.737 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.376 -9.143 3.631 1.00 0.00 H new ATOM 843 N PHE A 55 3.138 -1.852 -0.278 1.00 0.00 N ATOM 844 CA PHE A 55 2.998 -0.400 -0.303 1.00 0.00 C ATOM 845 C PHE A 55 2.659 0.131 1.092 1.00 0.00 C ATOM 846 O PHE A 55 1.970 -0.538 1.863 1.00 0.00 O ATOM 847 CB PHE A 55 1.921 0.025 -1.307 1.00 0.00 C ATOM 848 CG PHE A 55 0.579 -0.606 -1.064 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.288 -0.081 -0.119 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.184 -1.722 -1.783 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.522 -0.659 0.105 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.049 -2.302 -1.563 1.00 0.00 C ATOM 853 CZ PHE A 55 -1.904 -1.770 -0.617 1.00 0.00 C ATOM 0 H PHE A 55 2.568 -2.317 0.428 1.00 0.00 H new ATOM 0 HA PHE A 55 3.950 0.027 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.813 1.109 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.255 -0.230 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.005 0.790 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.848 -2.143 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.188 -0.241 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.345 -3.172 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.869 -2.223 -0.443 1.00 0.00 H new ATOM 863 N PRO A 56 3.143 1.339 1.438 1.00 0.00 N ATOM 864 CA PRO A 56 2.887 1.945 2.750 1.00 0.00 C ATOM 865 C PRO A 56 1.403 2.207 2.984 1.00 0.00 C ATOM 866 O PRO A 56 0.748 2.871 2.181 1.00 0.00 O ATOM 867 CB PRO A 56 3.661 3.270 2.703 1.00 0.00 C ATOM 868 CG PRO A 56 4.630 3.120 1.580 1.00 0.00 C ATOM 869 CD PRO A 56 3.970 2.209 0.586 1.00 0.00 C ATOM 0 HA PRO A 56 3.198 1.289 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.990 4.112 2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.176 3.458 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.860 4.086 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.572 2.699 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.366 2.764 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.701 1.638 0.014 1.00 0.00 H new ATOM 877 N SER A 57 0.879 1.683 4.089 1.00 0.00 N ATOM 878 CA SER A 57 -0.530 1.860 4.427 1.00 0.00 C ATOM 879 C SER A 57 -0.810 3.293 4.860 1.00 0.00 C ATOM 880 O SER A 57 -1.956 3.741 4.853 1.00 0.00 O ATOM 881 CB SER A 57 -0.937 0.893 5.539 1.00 0.00 C ATOM 882 OG SER A 57 -0.212 1.150 6.730 1.00 0.00 O ATOM 0 H SER A 57 1.409 1.133 4.765 1.00 0.00 H new ATOM 0 HA SER A 57 -1.119 1.646 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.006 0.986 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.760 -0.133 5.216 1.00 0.00 H new ATOM 0 HG SER A 57 0.261 0.338 7.007 1.00 0.00 H new ATOM 888 N ASN A 58 0.245 4.009 5.236 1.00 0.00 N ATOM 889 CA ASN A 58 0.110 5.393 5.673 1.00 0.00 C ATOM 890 C ASN A 58 0.098 6.340 4.477 1.00 0.00 C ATOM 891 O ASN A 58 -0.369 7.474 4.575 1.00 0.00 O ATOM 892 CB ASN A 58 1.251 5.767 6.623 1.00 0.00 C ATOM 893 CG ASN A 58 1.234 4.946 7.900 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.782 3.802 7.911 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.731 5.532 8.984 1.00 0.00 N ATOM 0 H ASN A 58 1.201 3.654 5.247 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.838 5.489 6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.205 5.624 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.179 6.825 6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.748 5.031 9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.095 6.483 8.928 1.00 0.00 H new ATOM 902 N TYR A 59 0.613 5.864 3.347 1.00 0.00 N ATOM 903 CA TYR A 59 0.655 6.666 2.128 1.00 0.00 C ATOM 904 C TYR A 59 -0.566 6.396 1.254 1.00 0.00 C ATOM 905 O TYR A 59 -0.730 7.006 0.199 1.00 0.00 O ATOM 906 CB TYR A 59 1.936 6.378 1.342 1.00 0.00 C ATOM 907 CG TYR A 59 3.119 7.222 1.766 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.499 7.305 3.100 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.854 7.938 0.829 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.579 8.078 3.487 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.935 8.711 1.209 1.00 0.00 C ATOM 912 CZ TYR A 59 5.293 8.778 2.538 1.00 0.00 C ATOM 913 OH TYR A 59 6.369 9.546 2.920 1.00 0.00 O ATOM 0 H TYR A 59 1.007 4.928 3.250 1.00 0.00 H new ATOM 0 HA TYR A 59 0.646 7.717 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.193 5.325 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.745 6.544 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.943 6.758 3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.576 7.890 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.862 8.133 4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.497 9.260 0.468 1.00 0.00 H new ATOM 0 HH TYR A 59 6.763 9.973 2.131 1.00 0.00 H new ATOM 923 N VAL A 60 -1.417 5.474 1.697 1.00 0.00 N ATOM 924 CA VAL A 60 -2.627 5.133 0.956 1.00 0.00 C ATOM 925 C VAL A 60 -3.855 5.179 1.861 1.00 0.00 C ATOM 926 O VAL A 60 -3.877 4.562 2.926 1.00 0.00 O ATOM 927 CB VAL A 60 -2.520 3.737 0.310 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.439 3.726 -0.759 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.246 2.672 1.363 1.00 0.00 C ATOM 0 H VAL A 60 -1.291 4.951 2.564 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.736 5.876 0.166 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.474 3.506 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.378 2.733 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.684 4.455 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.480 3.982 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.175 1.696 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.308 2.896 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.059 2.661 2.089 1.00 0.00 H new ATOM 939 N ARG A 61 -4.874 5.921 1.436 1.00 0.00 N ATOM 940 CA ARG A 61 -6.101 6.043 2.214 1.00 0.00 C ATOM 941 C ARG A 61 -7.191 5.133 1.657 1.00 0.00 C ATOM 942 O ARG A 61 -7.377 5.041 0.444 1.00 0.00 O ATOM 943 CB ARG A 61 -6.587 7.494 2.232 1.00 0.00 C ATOM 944 CG ARG A 61 -7.023 8.014 0.871 1.00 0.00 C ATOM 945 CD ARG A 61 -7.540 9.441 0.965 1.00 0.00 C ATOM 946 NE ARG A 61 -8.174 9.881 -0.276 1.00 0.00 N ATOM 947 CZ ARG A 61 -9.034 10.894 -0.344 1.00 0.00 C ATOM 948 NH1 ARG A 61 -9.355 11.569 0.752 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.573 11.233 -1.506 1.00 0.00 N ATOM 0 H ARG A 61 -4.874 6.445 0.561 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.881 5.734 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.422 7.579 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.788 8.130 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.183 7.974 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.802 7.369 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.257 9.513 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.714 10.110 1.206 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.945 9.384 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.942 11.312 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.014 12.345 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.329 10.717 -2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.232 12.010 -1.555 1.00 0.00 H new ATOM 963 N GLU A 62 -7.904 4.460 2.554 1.00 0.00 N ATOM 964 CA GLU A 62 -8.976 3.555 2.157 1.00 0.00 C ATOM 965 C GLU A 62 -9.998 4.265 1.275 1.00 0.00 C ATOM 966 O GLU A 62 -10.286 5.446 1.467 1.00 0.00 O ATOM 967 CB GLU A 62 -9.667 2.973 3.391 1.00 0.00 C ATOM 968 CG GLU A 62 -8.768 2.088 4.239 1.00 0.00 C ATOM 969 CD GLU A 62 -7.718 2.874 5.001 1.00 0.00 C ATOM 970 OE1 GLU A 62 -8.034 3.372 6.104 1.00 0.00 O ATOM 971 OE2 GLU A 62 -6.582 2.993 4.496 1.00 0.00 O ATOM 0 H GLU A 62 -7.759 4.524 3.562 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.531 2.743 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.040 3.792 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.533 2.394 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.380 1.528 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.274 1.358 3.597 1.00 0.00 H new ATOM 978 N VAL A 63 -10.541 3.531 0.309 1.00 0.00 N ATOM 979 CA VAL A 63 -11.534 4.081 -0.611 1.00 0.00 C ATOM 980 C VAL A 63 -12.946 3.680 -0.193 1.00 0.00 C ATOM 981 O VAL A 63 -13.206 2.518 0.115 1.00 0.00 O ATOM 982 CB VAL A 63 -11.286 3.605 -2.056 1.00 0.00 C ATOM 983 CG1 VAL A 63 -12.256 4.273 -3.017 1.00 0.00 C ATOM 984 CG2 VAL A 63 -9.845 3.874 -2.469 1.00 0.00 C ATOM 0 H VAL A 63 -10.310 2.552 0.142 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.437 5.166 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.457 2.529 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.063 3.923 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.279 4.022 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.123 5.354 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.690 3.531 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.643 4.944 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.169 3.340 -1.801 1.00 0.00 H new ATOM 994 N LYS A 64 -13.855 4.651 -0.187 1.00 0.00 N ATOM 995 CA LYS A 64 -15.241 4.399 0.193 1.00 0.00 C ATOM 996 C LYS A 64 -16.063 3.960 -1.014 1.00 0.00 C ATOM 997 O LYS A 64 -16.300 4.744 -1.935 1.00 0.00 O ATOM 998 CB LYS A 64 -15.857 5.655 0.817 1.00 0.00 C ATOM 999 CG LYS A 64 -17.319 5.497 1.218 1.00 0.00 C ATOM 1000 CD LYS A 64 -17.478 4.639 2.466 1.00 0.00 C ATOM 1001 CE LYS A 64 -17.642 3.166 2.122 1.00 0.00 C ATOM 1002 NZ LYS A 64 -18.825 2.929 1.248 1.00 0.00 N ATOM 0 H LYS A 64 -13.657 5.619 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.251 3.595 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.278 5.932 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.773 6.479 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.755 6.480 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.874 5.047 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.607 4.767 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.345 4.979 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.743 2.808 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.747 2.588 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.586 2.491 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.157 3.835 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.559 2.295 0.468 1.00 0.00 H new ATOM 1016 N ALA A 65 -16.495 2.704 -1.003 1.00 0.00 N ATOM 1017 CA ALA A 65 -17.292 2.158 -2.095 1.00 0.00 C ATOM 1018 C ALA A 65 -18.753 2.582 -1.973 1.00 0.00 C ATOM 1019 O ALA A 65 -19.527 1.854 -1.316 1.00 0.00 O ATOM 1020 CB ALA A 65 -17.179 0.641 -2.122 1.00 0.00 C ATOM 1021 OXT ALA A 65 -19.108 3.639 -2.533 1.00 0.00 O ATOM 0 H ALA A 65 -16.306 2.044 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.903 2.556 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.779 0.246 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.137 0.356 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.541 0.232 -1.178 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -6.109 19.674 5.728 1.00 0.00 N ATOM 1029 CA ASP B 183 -4.896 18.946 6.179 1.00 0.00 C ATOM 1030 C ASP B 183 -5.212 18.047 7.368 1.00 0.00 C ATOM 1031 O ASP B 183 -5.576 18.526 8.442 1.00 0.00 O ATOM 1032 CB ASP B 183 -3.795 19.938 6.557 1.00 0.00 C ATOM 1033 CG ASP B 183 -2.526 19.244 7.012 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -1.671 18.945 6.152 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -2.387 18.999 8.230 1.00 0.00 O ATOM 0 HA ASP B 183 -4.550 18.321 5.356 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -3.572 20.573 5.700 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -4.155 20.591 7.352 1.00 0.00 H new ATOM 1042 N ALA B 184 -5.070 16.740 7.169 1.00 0.00 N ATOM 1043 CA ALA B 184 -5.341 15.770 8.224 1.00 0.00 C ATOM 1044 C ALA B 184 -4.410 14.567 8.112 1.00 0.00 C ATOM 1045 O ALA B 184 -4.719 13.482 8.604 1.00 0.00 O ATOM 1046 CB ALA B 184 -6.794 15.325 8.165 1.00 0.00 C ATOM 0 H ALA B 184 -4.768 16.328 6.286 1.00 0.00 H new ATOM 0 HA ALA B 184 -5.158 16.249 9.186 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -6.985 14.601 8.957 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -7.445 16.189 8.298 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -6.995 14.866 7.197 1.00 0.00 H new ATOM 1052 N THR B 185 -3.266 14.771 7.465 1.00 0.00 N ATOM 1053 CA THR B 185 -2.286 13.707 7.283 1.00 0.00 C ATOM 1054 C THR B 185 -1.749 13.212 8.626 1.00 0.00 C ATOM 1055 O THR B 185 -1.678 13.973 9.591 1.00 0.00 O ATOM 1056 CB THR B 185 -1.106 14.181 6.416 1.00 0.00 C ATOM 1057 OG1 THR B 185 -0.411 15.246 7.073 1.00 0.00 O ATOM 1058 CG2 THR B 185 -1.593 14.651 5.054 1.00 0.00 C ATOM 0 H THR B 185 -2.995 15.666 7.057 1.00 0.00 H new ATOM 0 HA THR B 185 -2.798 12.888 6.778 1.00 0.00 H new ATOM 0 HB THR B 185 -0.427 13.340 6.273 1.00 0.00 H new ATOM 0 HG1 THR B 185 0.339 15.540 6.515 1.00 0.00 H new ATOM 0 HG21 THR B 185 -0.743 14.982 4.458 1.00 0.00 H new ATOM 0 HG22 THR B 185 -2.096 13.829 4.544 1.00 0.00 H new ATOM 0 HG23 THR B 185 -2.290 15.479 5.183 1.00 0.00 H new ATOM 1066 N PRO B 186 -1.360 11.923 8.705 1.00 0.00 N ATOM 1067 CA PRO B 186 -0.830 11.333 9.936 1.00 0.00 C ATOM 1068 C PRO B 186 0.634 11.707 10.181 1.00 0.00 C ATOM 1069 O PRO B 186 1.438 11.722 9.250 1.00 0.00 O ATOM 1070 CB PRO B 186 -0.963 9.833 9.680 1.00 0.00 C ATOM 1071 CG PRO B 186 -0.822 9.693 8.204 1.00 0.00 C ATOM 1072 CD PRO B 186 -1.411 10.941 7.601 1.00 0.00 C ATOM 0 HA PRO B 186 -1.360 11.683 10.822 1.00 0.00 H new ATOM 0 HB2 PRO B 186 -0.193 9.270 10.207 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -1.926 9.455 10.024 1.00 0.00 H new ATOM 0 HG2 PRO B 186 0.225 9.582 7.923 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -1.344 8.805 7.846 1.00 0.00 H new ATOM 0 HD2 PRO B 186 -0.836 11.278 6.738 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -2.433 10.776 7.259 1.00 0.00 H new ATOM 1080 N PRO B 187 0.998 12.019 11.443 1.00 0.00 N ATOM 1081 CA PRO B 187 2.373 12.396 11.802 1.00 0.00 C ATOM 1082 C PRO B 187 3.436 11.406 11.301 1.00 0.00 C ATOM 1083 O PRO B 187 4.441 11.826 10.726 1.00 0.00 O ATOM 1084 CB PRO B 187 2.347 12.435 13.334 1.00 0.00 C ATOM 1085 CG PRO B 187 0.927 12.718 13.679 1.00 0.00 C ATOM 1086 CD PRO B 187 0.100 12.045 12.617 1.00 0.00 C ATOM 0 HA PRO B 187 2.654 13.341 11.338 1.00 0.00 H new ATOM 0 HB2 PRO B 187 2.677 11.488 13.760 1.00 0.00 H new ATOM 0 HB3 PRO B 187 3.011 13.208 13.722 1.00 0.00 H new ATOM 0 HG2 PRO B 187 0.681 12.331 14.668 1.00 0.00 H new ATOM 0 HG3 PRO B 187 0.737 13.791 13.700 1.00 0.00 H new ATOM 0 HD2 PRO B 187 -0.197 11.040 12.917 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -0.815 12.600 12.410 1.00 0.00 H new ATOM 1094 N PRO B 188 3.248 10.080 11.503 1.00 0.00 N ATOM 1095 CA PRO B 188 4.226 9.082 11.060 1.00 0.00 C ATOM 1096 C PRO B 188 4.202 8.866 9.552 1.00 0.00 C ATOM 1097 O PRO B 188 3.135 8.770 8.944 1.00 0.00 O ATOM 1098 CB PRO B 188 3.789 7.810 11.784 1.00 0.00 C ATOM 1099 CG PRO B 188 2.323 7.973 11.979 1.00 0.00 C ATOM 1100 CD PRO B 188 2.086 9.448 12.165 1.00 0.00 C ATOM 0 HA PRO B 188 5.247 9.391 11.285 1.00 0.00 H new ATOM 0 HB2 PRO B 188 4.014 6.921 11.194 1.00 0.00 H new ATOM 0 HB3 PRO B 188 4.306 7.699 12.737 1.00 0.00 H new ATOM 0 HG2 PRO B 188 1.771 7.596 11.118 1.00 0.00 H new ATOM 0 HG3 PRO B 188 1.981 7.411 12.848 1.00 0.00 H new ATOM 0 HD2 PRO B 188 1.147 9.762 11.710 1.00 0.00 H new ATOM 0 HD3 PRO B 188 2.034 9.714 13.221 1.00 0.00 H new ATOM 1108 N VAL B 189 5.387 8.790 8.954 1.00 0.00 N ATOM 1109 CA VAL B 189 5.508 8.579 7.518 1.00 0.00 C ATOM 1110 C VAL B 189 5.843 7.122 7.211 1.00 0.00 C ATOM 1111 O VAL B 189 6.764 6.553 7.797 1.00 0.00 O ATOM 1112 CB VAL B 189 6.589 9.490 6.903 1.00 0.00 C ATOM 1113 CG1 VAL B 189 6.132 10.941 6.912 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.906 9.337 7.649 1.00 0.00 C ATOM 0 H VAL B 189 6.278 8.872 9.444 1.00 0.00 H new ATOM 0 HA VAL B 189 4.545 8.831 7.074 1.00 0.00 H new ATOM 0 HB VAL B 189 6.746 9.187 5.868 1.00 0.00 H new ATOM 0 HG11 VAL B 189 6.908 11.569 6.474 1.00 0.00 H new ATOM 0 HG12 VAL B 189 5.215 11.037 6.330 1.00 0.00 H new ATOM 0 HG13 VAL B 189 5.945 11.257 7.938 1.00 0.00 H new ATOM 0 HG21 VAL B 189 8.656 9.988 7.200 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.766 9.612 8.694 1.00 0.00 H new ATOM 0 HG23 VAL B 189 8.241 8.301 7.588 1.00 0.00 H new ATOM 1124 N ILE B 190 5.082 6.526 6.294 1.00 0.00 N ATOM 1125 CA ILE B 190 5.288 5.133 5.902 1.00 0.00 C ATOM 1126 C ILE B 190 4.992 4.184 7.061 1.00 0.00 C ATOM 1127 O ILE B 190 5.342 4.459 8.210 1.00 0.00 O ATOM 1128 CB ILE B 190 6.726 4.893 5.395 1.00 0.00 C ATOM 1129 CG1 ILE B 190 7.047 5.854 4.247 1.00 0.00 C ATOM 1130 CG2 ILE B 190 6.898 3.445 4.950 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.483 5.778 3.772 1.00 0.00 C ATOM 0 H ILE B 190 4.314 6.989 5.807 1.00 0.00 H new ATOM 0 HA ILE B 190 4.593 4.928 5.088 1.00 0.00 H new ATOM 0 HB ILE B 190 7.423 5.084 6.211 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.385 5.638 3.409 1.00 0.00 H new ATOM 0 HG13 ILE B 190 6.833 6.874 4.568 1.00 0.00 H new ATOM 0 HG21 ILE B 190 7.917 3.292 4.595 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.703 2.780 5.791 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.197 3.226 4.145 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.635 6.487 2.958 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.152 6.023 4.597 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.697 4.769 3.419 1.00 0.00 H new ATOM 1143 N ALA B 191 4.343 3.066 6.753 1.00 0.00 N ATOM 1144 CA ALA B 191 3.995 2.079 7.769 1.00 0.00 C ATOM 1145 C ALA B 191 5.187 1.185 8.106 1.00 0.00 C ATOM 1146 O ALA B 191 6.063 0.969 7.269 1.00 0.00 O ATOM 1147 CB ALA B 191 2.817 1.240 7.302 1.00 0.00 C ATOM 0 H ALA B 191 4.047 2.821 5.808 1.00 0.00 H new ATOM 0 HA ALA B 191 3.713 2.613 8.676 1.00 0.00 H new ATOM 0 HB1 ALA B 191 2.566 0.507 8.068 1.00 0.00 H new ATOM 0 HB2 ALA B 191 1.958 1.887 7.123 1.00 0.00 H new ATOM 0 HB3 ALA B 191 3.081 0.724 6.379 1.00 0.00 H new ATOM 1153 N PRO B 192 5.237 0.655 9.344 1.00 0.00 N ATOM 1154 CA PRO B 192 6.326 -0.216 9.788 1.00 0.00 C ATOM 1155 C PRO B 192 6.100 -1.676 9.408 1.00 0.00 C ATOM 1156 O PRO B 192 5.054 -2.033 8.863 1.00 0.00 O ATOM 1157 CB PRO B 192 6.285 -0.045 11.303 1.00 0.00 C ATOM 1158 CG PRO B 192 4.843 0.172 11.614 1.00 0.00 C ATOM 1159 CD PRO B 192 4.243 0.869 10.416 1.00 0.00 C ATOM 0 HA PRO B 192 7.281 0.043 9.330 1.00 0.00 H new ATOM 0 HB2 PRO B 192 6.673 -0.927 11.813 1.00 0.00 H new ATOM 0 HB3 PRO B 192 6.892 0.801 11.624 1.00 0.00 H new ATOM 0 HG2 PRO B 192 4.340 -0.777 11.802 1.00 0.00 H new ATOM 0 HG3 PRO B 192 4.727 0.778 12.513 1.00 0.00 H new ATOM 0 HD2 PRO B 192 3.274 0.446 10.152 1.00 0.00 H new ATOM 0 HD3 PRO B 192 4.086 1.930 10.609 1.00 0.00 H new ATOM 1167 N ARG B 193 7.087 -2.517 9.702 1.00 0.00 N ATOM 1168 CA ARG B 193 7.002 -3.940 9.394 1.00 0.00 C ATOM 1169 C ARG B 193 7.961 -4.744 10.273 1.00 0.00 C ATOM 1170 O ARG B 193 9.129 -4.918 9.924 1.00 0.00 O ATOM 1171 CB ARG B 193 7.324 -4.183 7.918 1.00 0.00 C ATOM 1172 CG ARG B 193 7.299 -5.649 7.518 1.00 0.00 C ATOM 1173 CD ARG B 193 7.726 -5.837 6.071 1.00 0.00 C ATOM 1174 NE ARG B 193 9.052 -5.281 5.815 1.00 0.00 N ATOM 1175 CZ ARG B 193 9.731 -5.481 4.688 1.00 0.00 C ATOM 1176 NH1 ARG B 193 9.215 -6.230 3.722 1.00 0.00 N ATOM 1177 NH2 ARG B 193 10.928 -4.935 4.528 1.00 0.00 N ATOM 0 H ARG B 193 7.957 -2.236 10.154 1.00 0.00 H new ATOM 0 HA ARG B 193 5.984 -4.271 9.597 1.00 0.00 H new ATOM 0 HB2 ARG B 193 6.608 -3.636 7.305 1.00 0.00 H new ATOM 0 HB3 ARG B 193 8.310 -3.773 7.699 1.00 0.00 H new ATOM 0 HG2 ARG B 193 7.961 -6.217 8.171 1.00 0.00 H new ATOM 0 HG3 ARG B 193 6.294 -6.049 7.657 1.00 0.00 H new ATOM 0 HD2 ARG B 193 7.725 -6.900 5.828 1.00 0.00 H new ATOM 0 HD3 ARG B 193 7.000 -5.359 5.414 1.00 0.00 H new ATOM 0 HE ARG B 193 9.482 -4.707 6.541 1.00 0.00 H new ATOM 0 HH11 ARG B 193 8.295 -6.654 3.842 1.00 0.00 H new ATOM 0 HH12 ARG B 193 9.738 -6.381 2.859 1.00 0.00 H new ATOM 0 HH21 ARG B 193 11.330 -4.361 5.269 1.00 0.00 H new ATOM 0 HH22 ARG B 193 11.447 -5.089 3.664 1.00 0.00 H new ATOM 1191 N PRO B 194 7.485 -5.240 11.432 1.00 0.00 N ATOM 1192 CA PRO B 194 8.314 -6.028 12.350 1.00 0.00 C ATOM 1193 C PRO B 194 8.902 -7.267 11.680 1.00 0.00 C ATOM 1194 O PRO B 194 8.174 -8.191 11.316 1.00 0.00 O ATOM 1195 CB PRO B 194 7.344 -6.432 13.465 1.00 0.00 C ATOM 1196 CG PRO B 194 6.238 -5.436 13.392 1.00 0.00 C ATOM 1197 CD PRO B 194 6.112 -5.068 11.941 1.00 0.00 C ATOM 0 HA PRO B 194 9.173 -5.459 12.706 1.00 0.00 H new ATOM 0 HB2 PRO B 194 6.973 -7.446 13.317 1.00 0.00 H new ATOM 0 HB3 PRO B 194 7.831 -6.410 14.440 1.00 0.00 H new ATOM 0 HG2 PRO B 194 5.307 -5.858 13.771 1.00 0.00 H new ATOM 0 HG3 PRO B 194 6.461 -4.559 14.000 1.00 0.00 H new ATOM 0 HD2 PRO B 194 5.405 -5.715 11.421 1.00 0.00 H new ATOM 0 HD3 PRO B 194 5.760 -4.044 11.814 1.00 0.00 H new ATOM 1205 N GLU B 195 10.221 -7.277 11.521 1.00 0.00 N ATOM 1206 CA GLU B 195 10.909 -8.398 10.893 1.00 0.00 C ATOM 1207 C GLU B 195 12.416 -8.299 11.110 1.00 0.00 C ATOM 1208 O GLU B 195 13.016 -9.153 11.763 1.00 0.00 O ATOM 1209 CB GLU B 195 10.598 -8.440 9.395 1.00 0.00 C ATOM 1210 CG GLU B 195 11.248 -9.606 8.669 1.00 0.00 C ATOM 1211 CD GLU B 195 10.818 -10.951 9.220 1.00 0.00 C ATOM 1212 OE1 GLU B 195 9.790 -11.483 8.753 1.00 0.00 O ATOM 1213 OE2 GLU B 195 11.509 -11.473 10.121 1.00 0.00 O ATOM 0 H GLU B 195 10.836 -6.520 11.819 1.00 0.00 H new ATOM 0 HA GLU B 195 10.552 -9.318 11.356 1.00 0.00 H new ATOM 0 HB2 GLU B 195 9.518 -8.495 9.258 1.00 0.00 H new ATOM 0 HB3 GLU B 195 10.930 -7.508 8.938 1.00 0.00 H new ATOM 0 HG2 GLU B 195 10.997 -9.555 7.610 1.00 0.00 H new ATOM 0 HG3 GLU B 195 12.332 -9.517 8.744 1.00 0.00 H new ATOM 1220 N HIS B 196 13.019 -7.249 10.560 1.00 0.00 N ATOM 1221 CA HIS B 196 14.456 -7.038 10.696 1.00 0.00 C ATOM 1222 C HIS B 196 14.813 -5.574 10.458 1.00 0.00 C ATOM 1223 O HIS B 196 15.376 -4.912 11.331 1.00 0.00 O ATOM 1224 CB HIS B 196 15.220 -7.930 9.716 1.00 0.00 C ATOM 1225 CG HIS B 196 16.708 -7.849 9.867 1.00 0.00 C ATOM 1226 ND1 HIS B 196 17.489 -6.957 9.162 1.00 0.00 N ATOM 1227 CD2 HIS B 196 17.560 -8.554 10.650 1.00 0.00 C ATOM 1228 CE1 HIS B 196 18.755 -7.118 9.503 1.00 0.00 C ATOM 1229 NE2 HIS B 196 18.825 -8.080 10.404 1.00 0.00 N ATOM 0 H HIS B 196 12.536 -6.533 10.017 1.00 0.00 H new ATOM 0 HA HIS B 196 14.744 -7.303 11.713 1.00 0.00 H new ATOM 0 HB2 HIS B 196 14.905 -8.964 9.857 1.00 0.00 H new ATOM 0 HB3 HIS B 196 14.951 -7.651 8.697 1.00 0.00 H new ATOM 0 HD2 HIS B 196 17.294 -9.342 11.339 1.00 0.00 H new ATOM 0 HE1 HIS B 196 19.591 -6.558 9.111 1.00 0.00 H new ATOM 0 HE2 HIS B 196 19.680 -8.417 10.846 1.00 0.00 H new ATOM 1238 N THR B 197 14.483 -5.072 9.271 1.00 0.00 N ATOM 1239 CA THR B 197 14.770 -3.686 8.917 1.00 0.00 C ATOM 1240 C THR B 197 13.692 -3.119 7.995 1.00 0.00 C ATOM 1241 O THR B 197 12.883 -3.863 7.441 1.00 0.00 O ATOM 1242 CB THR B 197 16.142 -3.553 8.229 1.00 0.00 C ATOM 1243 OG1 THR B 197 16.412 -2.177 7.934 1.00 0.00 O ATOM 1244 CG2 THR B 197 16.187 -4.368 6.945 1.00 0.00 C ATOM 0 H THR B 197 14.016 -5.606 8.538 1.00 0.00 H new ATOM 0 HA THR B 197 14.784 -3.119 9.848 1.00 0.00 H new ATOM 0 HB THR B 197 16.902 -3.935 8.911 1.00 0.00 H new ATOM 0 HG1 THR B 197 17.287 -2.101 7.498 1.00 0.00 H new ATOM 0 HG21 THR B 197 17.166 -4.258 6.478 1.00 0.00 H new ATOM 0 HG22 THR B 197 16.011 -5.419 7.175 1.00 0.00 H new ATOM 0 HG23 THR B 197 15.417 -4.012 6.261 1.00 0.00 H new ATOM 1252 N LYS B 198 13.691 -1.799 7.834 1.00 0.00 N ATOM 1253 CA LYS B 198 12.713 -1.134 6.978 1.00 0.00 C ATOM 1254 C LYS B 198 13.299 -0.866 5.595 1.00 0.00 C ATOM 1255 O LYS B 198 14.479 -1.121 5.351 1.00 0.00 O ATOM 1256 CB LYS B 198 12.257 0.183 7.613 1.00 0.00 C ATOM 1257 CG LYS B 198 11.807 0.046 9.060 1.00 0.00 C ATOM 1258 CD LYS B 198 10.605 -0.877 9.193 1.00 0.00 C ATOM 1259 CE LYS B 198 10.154 -0.994 10.641 1.00 0.00 C ATOM 1260 NZ LYS B 198 11.239 -1.505 11.523 1.00 0.00 N ATOM 0 H LYS B 198 14.355 -1.169 8.284 1.00 0.00 H new ATOM 0 HA LYS B 198 11.852 -1.794 6.870 1.00 0.00 H new ATOM 0 HB2 LYS B 198 13.075 0.901 7.564 1.00 0.00 H new ATOM 0 HB3 LYS B 198 11.436 0.594 7.025 1.00 0.00 H new ATOM 0 HG2 LYS B 198 12.630 -0.340 9.662 1.00 0.00 H new ATOM 0 HG3 LYS B 198 11.556 1.029 9.457 1.00 0.00 H new ATOM 0 HD2 LYS B 198 9.784 -0.498 8.584 1.00 0.00 H new ATOM 0 HD3 LYS B 198 10.858 -1.865 8.808 1.00 0.00 H new ATOM 0 HE2 LYS B 198 9.825 -0.018 10.998 1.00 0.00 H new ATOM 0 HE3 LYS B 198 9.294 -1.661 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 10.839 -1.778 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 11.685 -2.333 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 11.952 -0.761 11.663 1.00 0.00 H new ATOM 1274 N SER B 199 12.467 -0.350 4.694 1.00 0.00 N ATOM 1275 CA SER B 199 12.907 -0.045 3.337 1.00 0.00 C ATOM 1276 C SER B 199 13.859 1.147 3.333 1.00 0.00 C ATOM 1277 O SER B 199 13.710 2.075 4.129 1.00 0.00 O ATOM 1278 CB SER B 199 11.703 0.243 2.439 1.00 0.00 C ATOM 1279 OG SER B 199 10.835 -0.874 2.376 1.00 0.00 O ATOM 0 H SER B 199 11.487 -0.135 4.879 1.00 0.00 H new ATOM 0 HA SER B 199 13.438 -0.914 2.948 1.00 0.00 H new ATOM 0 HB2 SER B 199 11.160 1.108 2.820 1.00 0.00 H new ATOM 0 HB3 SER B 199 12.046 0.498 1.436 1.00 0.00 H new ATOM 0 HG SER B 199 10.073 -0.664 1.797 1.00 0.00 H new ATOM 1285 N VAL B 200 14.837 1.115 2.434 1.00 0.00 N ATOM 1286 CA VAL B 200 15.815 2.187 2.329 1.00 0.00 C ATOM 1287 C VAL B 200 16.084 2.543 0.868 1.00 0.00 C ATOM 1288 O VAL B 200 15.225 2.358 0.007 1.00 0.00 O ATOM 1289 CB VAL B 200 17.136 1.799 3.018 1.00 0.00 C ATOM 1290 CG1 VAL B 200 16.952 1.732 4.526 1.00 0.00 C ATOM 1291 CG2 VAL B 200 17.646 0.471 2.481 1.00 0.00 C ATOM 0 H VAL B 200 14.972 0.355 1.767 1.00 0.00 H new ATOM 0 HA VAL B 200 15.398 3.059 2.833 1.00 0.00 H new ATOM 0 HB VAL B 200 17.878 2.566 2.798 1.00 0.00 H new ATOM 0 HG11 VAL B 200 17.896 1.456 4.996 1.00 0.00 H new ATOM 0 HG12 VAL B 200 16.633 2.706 4.897 1.00 0.00 H new ATOM 0 HG13 VAL B 200 16.195 0.986 4.767 1.00 0.00 H new ATOM 0 HG21 VAL B 200 18.580 0.212 2.979 1.00 0.00 H new ATOM 0 HG22 VAL B 200 16.906 -0.307 2.671 1.00 0.00 H new ATOM 0 HG23 VAL B 200 17.818 0.554 1.408 1.00 0.00 H new ATOM 1301 N TYR B 201 17.281 3.055 0.597 1.00 0.00 N ATOM 1302 CA TYR B 201 17.661 3.445 -0.757 1.00 0.00 C ATOM 1303 C TYR B 201 18.222 2.262 -1.540 1.00 0.00 C ATOM 1304 O TYR B 201 18.695 2.421 -2.666 1.00 0.00 O ATOM 1305 CB TYR B 201 18.691 4.575 -0.713 1.00 0.00 C ATOM 1306 CG TYR B 201 18.222 5.796 0.047 1.00 0.00 C ATOM 1307 CD1 TYR B 201 17.379 6.727 -0.548 1.00 0.00 C ATOM 1308 CD2 TYR B 201 18.623 6.020 1.358 1.00 0.00 C ATOM 1309 CE1 TYR B 201 16.951 7.847 0.142 1.00 0.00 C ATOM 1310 CE2 TYR B 201 18.200 7.135 2.055 1.00 0.00 C ATOM 1311 CZ TYR B 201 17.364 8.045 1.442 1.00 0.00 C ATOM 1312 OH TYR B 201 16.941 9.158 2.133 1.00 0.00 O ATOM 0 H TYR B 201 18.005 3.210 1.298 1.00 0.00 H new ATOM 0 HA TYR B 201 16.763 3.795 -1.267 1.00 0.00 H new ATOM 0 HB2 TYR B 201 19.607 4.202 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR B 201 18.941 4.867 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR B 201 17.053 6.574 -1.566 1.00 0.00 H new ATOM 0 HD2 TYR B 201 19.277 5.309 1.841 1.00 0.00 H new ATOM 0 HE1 TYR B 201 16.297 8.562 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR B 201 18.522 7.293 3.074 1.00 0.00 H new ATOM 0 HH TYR B 201 17.321 9.147 3.036 1.00 0.00 H new ATOM 1322 N THR B 202 18.168 1.077 -0.940 1.00 0.00 N ATOM 1323 CA THR B 202 18.672 -0.130 -1.586 1.00 0.00 C ATOM 1324 C THR B 202 17.865 -0.455 -2.840 1.00 0.00 C ATOM 1325 O THR B 202 16.665 -0.716 -2.767 1.00 0.00 O ATOM 1326 CB THR B 202 18.632 -1.340 -0.631 1.00 0.00 C ATOM 1327 OG1 THR B 202 19.400 -1.060 0.546 1.00 0.00 O ATOM 1328 CG2 THR B 202 19.178 -2.588 -1.307 1.00 0.00 C ATOM 0 H THR B 202 17.781 0.927 -0.008 1.00 0.00 H new ATOM 0 HA THR B 202 19.708 0.066 -1.863 1.00 0.00 H new ATOM 0 HB THR B 202 17.592 -1.520 -0.357 1.00 0.00 H new ATOM 0 HG1 THR B 202 19.369 -1.832 1.149 1.00 0.00 H new ATOM 0 HG21 THR B 202 19.138 -3.426 -0.611 1.00 0.00 H new ATOM 0 HG22 THR B 202 18.577 -2.818 -2.187 1.00 0.00 H new ATOM 0 HG23 THR B 202 20.211 -2.416 -1.609 1.00 0.00 H new ATOM 1336 N ARG B 203 18.534 -0.434 -3.989 1.00 0.00 N ATOM 1337 CA ARG B 203 17.880 -0.725 -5.261 1.00 0.00 C ATOM 1338 C ARG B 203 18.744 -1.637 -6.126 1.00 0.00 C ATOM 1339 O ARG B 203 19.815 -2.075 -5.707 1.00 0.00 O ATOM 1340 CB ARG B 203 17.578 0.574 -6.012 1.00 0.00 C ATOM 1341 CG ARG B 203 18.809 1.424 -6.285 1.00 0.00 C ATOM 1342 CD ARG B 203 18.458 2.674 -7.076 1.00 0.00 C ATOM 1343 NE ARG B 203 19.623 3.526 -7.304 1.00 0.00 N ATOM 1344 CZ ARG B 203 19.544 4.829 -7.562 1.00 0.00 C ATOM 1345 NH1 ARG B 203 18.361 5.428 -7.617 1.00 0.00 N ATOM 1346 NH2 ARG B 203 20.649 5.533 -7.766 1.00 0.00 N ATOM 0 H ARG B 203 19.528 -0.219 -4.066 1.00 0.00 H new ATOM 0 HA ARG B 203 16.944 -1.241 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG B 203 17.097 0.332 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG B 203 16.864 1.160 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG B 203 19.273 1.708 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG B 203 19.543 0.837 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG B 203 18.027 2.386 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG B 203 17.695 3.239 -6.540 1.00 0.00 H new ATOM 0 HE ARG B 203 20.548 3.098 -7.263 1.00 0.00 H new ATOM 0 HH11 ARG B 203 17.509 4.889 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG B 203 18.304 6.427 -7.815 1.00 0.00 H new ATOM 0 HH21 ARG B 203 21.560 5.076 -7.725 1.00 0.00 H new ATOM 0 HH22 ARG B 203 20.588 6.532 -7.964 1.00 0.00 H new ATOM 1360 N SER B 204 18.268 -1.921 -7.335 1.00 0.00 N ATOM 1361 CA SER B 204 18.995 -2.780 -8.263 1.00 0.00 C ATOM 1362 C SER B 204 19.800 -1.951 -9.258 1.00 0.00 C ATOM 1363 O SER B 204 19.236 -1.570 -10.306 1.00 0.00 O ATOM 1364 CB SER B 204 18.022 -3.699 -9.007 1.00 0.00 C ATOM 1365 OG SER B 204 17.030 -2.947 -9.685 1.00 0.00 O ATOM 1366 OXT SER B 204 20.989 -1.688 -8.981 1.00 0.00 O ATOM 0 H SER B 204 17.381 -1.568 -7.695 1.00 0.00 H new ATOM 0 HA SER B 204 19.690 -3.391 -7.687 1.00 0.00 H new ATOM 0 HB2 SER B 204 18.570 -4.312 -9.722 1.00 0.00 H new ATOM 0 HB3 SER B 204 17.547 -4.380 -8.301 1.00 0.00 H new ATOM 0 HG SER B 204 17.450 -2.191 -10.146 1.00 0.00 H new TER 1372 SER B 204