USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 984 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 76 LYS NZ :NH3+ -172:sc= 0.688 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -3.93! K(o=-3.2!,f=-4.2) USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc= -0.242 USER MOD Set 2.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 44 ASN : amide:sc= -0.106 K(o=0.97,f=0.45) USER MOD Set 3.2: A 47 SER OG : rot 91:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.144 (180deg=-0.671) USER MOD Single : A 1 MET N :NH3+ 176:sc=-0.00609 (180deg=-0.0285) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -12.2! C(o=-15!,f=-12!) USER MOD Single : A 19 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.013) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0.562 (180deg=0.327) USER MOD Single : A 23 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.0042) USER MOD Single : A 26 ASN : amide:sc= 1.13 K(o=1.1,f=-0.047) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.767 K(o=0.77,f=-0.3) USER MOD Single : A 42 SER OG : rot -48:sc= 0.74 USER MOD Single : A 43 GLN : amide:sc= 0.743 K(o=0.74,f=-0.76) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 1.94 (180deg=-0.216) USER MOD Single : A 51 THR OG1 : rot -27:sc= 0.196 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 0.65 (180deg=0.367) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -5.4! C(o=-8!,f=-5.4!) USER MOD Single : A 78 MET CE :methyl 174:sc= -8.35! (180deg=-8.94!) USER MOD Single : A 79 GLN : amide:sc= -1.2! X(o=-1.2!,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -4.16! C(o=-4.2!,f=-9.6!) USER MOD Single : A 85 MET CE :methyl 157:sc= -5.99! (180deg=-6.9!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 90 HIS : no HD1:sc= -2.99! C(o=-3!,f=-5.2!) USER MOD Single : A 92 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0146) USER MOD Single : A 98 THR OG1 : rot 88:sc= -0.357 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 113 SER OG : rot -38:sc= 0.87 USER MOD Single : A 115 GLN : amide:sc= 0.345 K(o=0.34,f=-2!) USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0.97) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 120 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.46) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 43:sc= 0.737 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.758 15.952 -1.187 1.00 13.16 N ATOM 2 CA MET A 1 -21.924 16.188 0.266 1.00 12.75 C ATOM 3 C MET A 1 -22.635 15.018 0.938 1.00 11.77 C ATOM 4 O MET A 1 -22.106 14.408 1.868 1.00 11.66 O ATOM 5 CB MET A 1 -22.678 17.505 0.525 1.00 13.22 C ATOM 6 CG MET A 1 -23.997 17.643 -0.232 1.00 13.51 C ATOM 7 SD MET A 1 -24.901 19.150 0.184 1.00 14.33 S ATOM 8 CE MET A 1 -25.262 18.865 1.917 1.00 14.09 C ATOM 0 H1 MET A 1 -21.333 16.792 -1.629 1.00 13.16 H new ATOM 0 H2 MET A 1 -21.138 15.131 -1.337 1.00 13.16 H new ATOM 0 H3 MET A 1 -22.687 15.767 -1.617 1.00 13.16 H new ATOM 0 HA MET A 1 -20.930 16.272 0.704 1.00 12.75 H new ATOM 0 HB2 MET A 1 -22.877 17.590 1.593 1.00 13.22 H new ATOM 0 HB3 MET A 1 -22.030 18.339 0.254 1.00 13.22 H new ATOM 0 HG2 MET A 1 -23.797 17.631 -1.303 1.00 13.51 H new ATOM 0 HG3 MET A 1 -24.625 16.779 -0.016 1.00 13.51 H new ATOM 0 HE1 MET A 1 -26.103 19.488 2.221 1.00 14.09 H new ATOM 0 HE2 MET A 1 -25.515 17.816 2.068 1.00 14.09 H new ATOM 0 HE3 MET A 1 -24.388 19.118 2.517 1.00 14.09 H new ATOM 20 N SER A 2 -23.827 14.692 0.463 1.00 11.22 N ATOM 21 CA SER A 2 -24.619 13.632 1.062 1.00 10.40 C ATOM 22 C SER A 2 -24.493 12.355 0.242 1.00 9.51 C ATOM 23 O SER A 2 -24.441 11.253 0.788 1.00 9.43 O ATOM 24 CB SER A 2 -26.085 14.065 1.162 1.00 10.47 C ATOM 25 OG SER A 2 -26.871 13.109 1.856 1.00 10.65 O ATOM 0 H SER A 2 -24.267 15.148 -0.337 1.00 11.22 H new ATOM 0 HA SER A 2 -24.246 13.435 2.067 1.00 10.40 H new ATOM 0 HB2 SER A 2 -26.146 15.026 1.673 1.00 10.47 H new ATOM 0 HB3 SER A 2 -26.490 14.210 0.161 1.00 10.47 H new ATOM 0 HG SER A 2 -27.799 13.420 1.901 1.00 10.65 H new ATOM 31 N TYR A 3 -24.428 12.507 -1.072 1.00 9.03 N ATOM 32 CA TYR A 3 -24.315 11.369 -1.966 1.00 8.37 C ATOM 33 C TYR A 3 -22.876 11.210 -2.443 1.00 7.38 C ATOM 34 O TYR A 3 -22.376 12.026 -3.218 1.00 7.50 O ATOM 35 CB TYR A 3 -25.256 11.544 -3.162 1.00 9.00 C ATOM 36 CG TYR A 3 -25.233 10.393 -4.144 1.00 8.73 C ATOM 37 CD1 TYR A 3 -25.882 9.198 -3.857 1.00 8.90 C ATOM 38 CD2 TYR A 3 -24.552 10.494 -5.352 1.00 8.58 C ATOM 39 CE1 TYR A 3 -25.861 8.142 -4.747 1.00 8.95 C ATOM 40 CE2 TYR A 3 -24.527 9.442 -6.248 1.00 8.64 C ATOM 41 CZ TYR A 3 -25.199 8.286 -5.962 1.00 8.84 C ATOM 42 OH TYR A 3 -25.154 7.211 -6.828 1.00 9.19 O ATOM 0 H TYR A 3 -24.452 13.412 -1.542 1.00 9.03 H new ATOM 0 HA TYR A 3 -24.601 10.468 -1.424 1.00 8.37 H new ATOM 0 HB2 TYR A 3 -26.274 11.672 -2.793 1.00 9.00 H new ATOM 0 HB3 TYR A 3 -24.990 12.461 -3.688 1.00 9.00 H new ATOM 0 HD1 TYR A 3 -26.412 9.093 -2.922 1.00 8.90 H new ATOM 0 HD2 TYR A 3 -24.034 11.410 -5.594 1.00 8.58 H new ATOM 0 HE1 TYR A 3 -26.354 7.213 -4.502 1.00 8.95 H new ATOM 0 HE2 TYR A 3 -23.977 9.533 -7.173 1.00 8.64 H new ATOM 0 HH TYR A 3 -24.659 7.462 -7.636 1.00 9.19 H new ATOM 52 N ILE A 4 -22.206 10.178 -1.949 1.00 6.65 N ATOM 53 CA ILE A 4 -20.858 9.861 -2.389 1.00 5.84 C ATOM 54 C ILE A 4 -20.844 8.509 -3.100 1.00 5.70 C ATOM 55 O ILE A 4 -21.089 7.469 -2.489 1.00 5.57 O ATOM 56 CB ILE A 4 -19.845 9.861 -1.216 1.00 5.26 C ATOM 57 CG1 ILE A 4 -20.385 9.062 -0.022 1.00 5.59 C ATOM 58 CG2 ILE A 4 -19.524 11.291 -0.801 1.00 5.75 C ATOM 59 CD1 ILE A 4 -19.416 8.964 1.140 1.00 5.82 C ATOM 0 H ILE A 4 -22.577 9.545 -1.241 1.00 6.65 H new ATOM 0 HA ILE A 4 -20.548 10.641 -3.084 1.00 5.84 H new ATOM 0 HB ILE A 4 -18.928 9.379 -1.555 1.00 5.26 H new ATOM 0 HG12 ILE A 4 -21.308 9.526 0.326 1.00 5.59 H new ATOM 0 HG13 ILE A 4 -20.640 8.056 -0.356 1.00 5.59 H new ATOM 0 HG21 ILE A 4 -18.811 11.279 0.024 1.00 5.75 H new ATOM 0 HG22 ILE A 4 -19.092 11.827 -1.646 1.00 5.75 H new ATOM 0 HG23 ILE A 4 -20.439 11.792 -0.483 1.00 5.75 H new ATOM 0 HD11 ILE A 4 -19.870 8.385 1.944 1.00 5.82 H new ATOM 0 HD12 ILE A 4 -18.501 8.472 0.810 1.00 5.82 H new ATOM 0 HD13 ILE A 4 -19.180 9.965 1.502 1.00 5.82 H new ATOM 71 N PRO A 5 -20.581 8.522 -4.413 1.00 6.16 N ATOM 72 CA PRO A 5 -20.612 7.318 -5.258 1.00 6.54 C ATOM 73 C PRO A 5 -19.709 6.201 -4.746 1.00 6.19 C ATOM 74 O PRO A 5 -18.484 6.313 -4.782 1.00 6.51 O ATOM 75 CB PRO A 5 -20.114 7.819 -6.615 1.00 7.37 C ATOM 76 CG PRO A 5 -20.395 9.279 -6.608 1.00 7.46 C ATOM 77 CD PRO A 5 -20.225 9.723 -5.185 1.00 6.75 C ATOM 0 HA PRO A 5 -21.609 6.879 -5.283 1.00 6.54 H new ATOM 0 HB2 PRO A 5 -19.050 7.622 -6.743 1.00 7.37 H new ATOM 0 HB3 PRO A 5 -20.631 7.321 -7.435 1.00 7.37 H new ATOM 0 HG2 PRO A 5 -19.710 9.812 -7.268 1.00 7.46 H new ATOM 0 HG3 PRO A 5 -21.405 9.484 -6.963 1.00 7.46 H new ATOM 0 HD2 PRO A 5 -19.203 10.043 -4.983 1.00 6.75 H new ATOM 0 HD3 PRO A 5 -20.876 10.564 -4.945 1.00 6.75 H new ATOM 85 N GLY A 6 -20.328 5.139 -4.243 1.00 5.88 N ATOM 86 CA GLY A 6 -19.580 3.981 -3.784 1.00 5.89 C ATOM 87 C GLY A 6 -18.998 4.166 -2.396 1.00 5.07 C ATOM 88 O GLY A 6 -18.459 3.226 -1.820 1.00 5.32 O ATOM 0 H GLY A 6 -21.340 5.058 -4.144 1.00 5.88 H new ATOM 0 HA2 GLY A 6 -20.234 3.109 -3.785 1.00 5.89 H new ATOM 0 HA3 GLY A 6 -18.772 3.775 -4.486 1.00 5.89 H new ATOM 92 N GLN A 7 -19.135 5.378 -1.858 1.00 4.35 N ATOM 93 CA GLN A 7 -18.553 5.733 -0.563 1.00 3.71 C ATOM 94 C GLN A 7 -17.046 5.460 -0.547 1.00 2.97 C ATOM 95 O GLN A 7 -16.566 4.570 0.150 1.00 3.13 O ATOM 96 CB GLN A 7 -19.257 4.982 0.568 1.00 4.33 C ATOM 97 CG GLN A 7 -20.709 5.392 0.737 1.00 5.04 C ATOM 98 CD GLN A 7 -21.419 4.607 1.825 1.00 5.77 C ATOM 99 OE1 GLN A 7 -22.027 3.568 1.566 1.00 6.37 O ATOM 100 NE2 GLN A 7 -21.350 5.100 3.052 1.00 6.03 N ATOM 0 H GLN A 7 -19.649 6.137 -2.304 1.00 4.35 H new ATOM 0 HA GLN A 7 -18.701 6.801 -0.405 1.00 3.71 H new ATOM 0 HB2 GLN A 7 -19.208 3.911 0.372 1.00 4.33 H new ATOM 0 HB3 GLN A 7 -18.724 5.160 1.502 1.00 4.33 H new ATOM 0 HG2 GLN A 7 -20.757 6.455 0.973 1.00 5.04 H new ATOM 0 HG3 GLN A 7 -21.234 5.251 -0.208 1.00 5.04 H new ATOM 0 HE21 GLN A 7 -20.836 5.964 3.226 1.00 6.03 H new ATOM 0 HE22 GLN A 7 -21.810 4.616 3.823 1.00 6.03 H new ATOM 109 N PRO A 8 -16.279 6.264 -1.297 1.00 2.60 N ATOM 110 CA PRO A 8 -14.862 6.030 -1.546 1.00 2.22 C ATOM 111 C PRO A 8 -13.961 6.698 -0.520 1.00 1.55 C ATOM 112 O PRO A 8 -12.769 6.915 -0.747 1.00 1.98 O ATOM 113 CB PRO A 8 -14.657 6.649 -2.934 1.00 2.90 C ATOM 114 CG PRO A 8 -15.850 7.527 -3.195 1.00 3.40 C ATOM 115 CD PRO A 8 -16.725 7.477 -1.967 1.00 3.12 C ATOM 0 HA PRO A 8 -14.603 4.973 -1.484 1.00 2.22 H new ATOM 0 HB2 PRO A 8 -13.735 7.229 -2.967 1.00 2.90 H new ATOM 0 HB3 PRO A 8 -14.573 5.873 -3.695 1.00 2.90 H new ATOM 0 HG2 PRO A 8 -15.536 8.550 -3.401 1.00 3.40 H new ATOM 0 HG3 PRO A 8 -16.398 7.180 -4.071 1.00 3.40 H new ATOM 0 HD2 PRO A 8 -16.590 8.358 -1.339 1.00 3.12 H new ATOM 0 HD3 PRO A 8 -17.783 7.429 -2.227 1.00 3.12 H new ATOM 123 N VAL A 9 -14.539 6.996 0.617 1.00 1.36 N ATOM 124 CA VAL A 9 -13.832 7.693 1.678 1.00 1.13 C ATOM 125 C VAL A 9 -13.900 6.882 2.955 1.00 1.01 C ATOM 126 O VAL A 9 -12.875 6.617 3.597 1.00 1.07 O ATOM 127 CB VAL A 9 -14.408 9.105 1.917 1.00 1.61 C ATOM 128 CG1 VAL A 9 -13.557 9.868 2.920 1.00 2.08 C ATOM 129 CG2 VAL A 9 -14.508 9.868 0.602 1.00 2.26 C ATOM 0 H VAL A 9 -15.508 6.766 0.839 1.00 1.36 H new ATOM 0 HA VAL A 9 -12.793 7.808 1.370 1.00 1.13 H new ATOM 0 HB VAL A 9 -15.411 9.003 2.331 1.00 1.61 H new ATOM 0 HG11 VAL A 9 -13.979 10.861 3.075 1.00 2.08 H new ATOM 0 HG12 VAL A 9 -13.540 9.329 3.867 1.00 2.08 H new ATOM 0 HG13 VAL A 9 -12.541 9.962 2.538 1.00 2.08 H new ATOM 0 HG21 VAL A 9 -14.916 10.862 0.788 1.00 2.26 H new ATOM 0 HG22 VAL A 9 -13.517 9.960 0.158 1.00 2.26 H new ATOM 0 HG23 VAL A 9 -15.163 9.329 -0.082 1.00 2.26 H new ATOM 139 N THR A 10 -15.106 6.469 3.305 1.00 1.00 N ATOM 140 CA THR A 10 -15.302 5.587 4.433 1.00 1.07 C ATOM 141 C THR A 10 -14.932 4.172 4.047 1.00 0.92 C ATOM 142 O THR A 10 -15.758 3.341 3.672 1.00 0.99 O ATOM 143 CB THR A 10 -16.733 5.654 4.970 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.991 4.569 5.867 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.726 5.640 3.830 1.00 1.90 C ATOM 0 H THR A 10 -15.964 6.733 2.820 1.00 1.00 H new ATOM 0 HA THR A 10 -14.648 5.918 5.240 1.00 1.07 H new ATOM 0 HB THR A 10 -16.846 6.588 5.521 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.911 4.631 6.200 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.739 5.688 4.229 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.550 6.499 3.183 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.606 4.722 3.254 1.00 1.90 H new ATOM 153 N ALA A 11 -13.653 3.951 4.123 1.00 0.83 N ATOM 154 CA ALA A 11 -13.046 2.698 3.744 1.00 0.74 C ATOM 155 C ALA A 11 -12.536 1.959 4.970 1.00 0.77 C ATOM 156 O ALA A 11 -12.634 2.456 6.094 1.00 0.96 O ATOM 157 CB ALA A 11 -11.919 2.956 2.758 1.00 0.70 C ATOM 0 H ALA A 11 -12.985 4.646 4.456 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.795 2.068 3.264 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.461 2.009 2.473 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -12.317 3.448 1.871 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -11.169 3.596 3.222 1.00 0.70 H new ATOM 163 N VAL A 12 -11.982 0.788 4.745 1.00 0.65 N ATOM 164 CA VAL A 12 -11.518 -0.065 5.825 1.00 0.72 C ATOM 165 C VAL A 12 -10.001 -0.107 5.801 1.00 0.54 C ATOM 166 O VAL A 12 -9.403 0.017 4.743 1.00 0.54 O ATOM 167 CB VAL A 12 -12.076 -1.501 5.689 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.747 -2.337 6.917 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.576 -1.472 5.440 1.00 1.38 C ATOM 0 H VAL A 12 -11.839 0.398 3.813 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.874 0.346 6.770 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.595 -1.969 4.830 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -12.152 -3.341 6.793 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -10.665 -2.394 7.039 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -12.188 -1.875 7.800 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.949 -2.492 5.347 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -14.074 -0.978 6.274 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.782 -0.925 4.520 1.00 1.38 H new ATOM 179 N VAL A 13 -9.367 -0.261 6.945 1.00 0.52 N ATOM 180 CA VAL A 13 -7.917 -0.294 6.980 1.00 0.44 C ATOM 181 C VAL A 13 -7.410 -1.715 7.157 1.00 0.41 C ATOM 182 O VAL A 13 -7.618 -2.338 8.197 1.00 0.50 O ATOM 183 CB VAL A 13 -7.358 0.591 8.104 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.842 0.659 8.040 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.967 1.984 8.051 1.00 1.02 C ATOM 0 H VAL A 13 -9.823 -0.364 7.851 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.567 0.096 6.024 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.633 0.138 9.057 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.472 1.292 8.847 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.428 -0.344 8.146 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.537 1.078 7.081 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.556 2.592 8.857 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.734 2.447 7.092 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -9.049 1.913 8.166 1.00 1.02 H new ATOM 195 N GLN A 14 -6.763 -2.227 6.128 1.00 0.37 N ATOM 196 CA GLN A 14 -6.168 -3.557 6.197 1.00 0.40 C ATOM 197 C GLN A 14 -4.697 -3.460 6.584 1.00 0.32 C ATOM 198 O GLN A 14 -4.141 -2.359 6.685 1.00 0.41 O ATOM 199 CB GLN A 14 -6.343 -4.302 4.869 1.00 0.51 C ATOM 200 CG GLN A 14 -5.639 -3.666 3.694 1.00 0.53 C ATOM 201 CD GLN A 14 -4.138 -3.912 3.705 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.709 -4.938 3.044 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -3.359 -3.155 4.273 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.634 -1.749 5.236 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.685 -4.129 6.968 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -5.975 -5.321 4.988 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.407 -4.372 4.644 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.060 -4.058 2.768 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.827 -2.592 3.701 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -3.715 -2.351 4.790 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -2.355 -3.329 4.229 1.00 0.55 H new ATOM 212 N ARG A 15 -4.071 -4.600 6.836 1.00 0.32 N ATOM 213 CA ARG A 15 -2.657 -4.633 7.085 1.00 0.39 C ATOM 214 C ARG A 15 -1.947 -5.642 6.173 1.00 0.33 C ATOM 215 O ARG A 15 -2.325 -6.813 6.123 1.00 0.55 O ATOM 216 CB ARG A 15 -2.419 -4.994 8.546 1.00 0.70 C ATOM 217 CG ARG A 15 -1.407 -4.108 9.225 1.00 0.75 C ATOM 218 CD ARG A 15 -0.029 -4.277 8.612 1.00 1.44 C ATOM 219 NE ARG A 15 0.982 -3.496 9.326 1.00 2.26 N ATOM 220 CZ ARG A 15 2.011 -4.033 9.984 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.244 -5.341 9.908 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.823 -3.253 10.689 1.00 3.63 N ATOM 0 H ARG A 15 -4.530 -5.510 6.871 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.244 -3.648 6.869 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.364 -4.933 9.086 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.083 -6.029 8.607 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.719 -3.067 9.143 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.367 -4.346 10.288 1.00 0.75 H new ATOM 0 HD2 ARG A 15 0.249 -5.331 8.626 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -0.056 -3.969 7.567 1.00 1.44 H new ATOM 0 HE ARG A 15 0.895 -2.480 9.320 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.635 -5.936 9.346 1.00 2.98 H new ATOM 0 HH12 ARG A 15 3.031 -5.749 10.412 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.659 -2.247 10.726 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.611 -3.660 11.193 1.00 3.63 H new ATOM 236 N VAL A 16 -0.915 -5.185 5.475 1.00 0.25 N ATOM 237 CA VAL A 16 -0.042 -6.067 4.716 1.00 0.30 C ATOM 238 C VAL A 16 1.251 -6.300 5.491 1.00 0.26 C ATOM 239 O VAL A 16 1.853 -5.362 6.003 1.00 0.40 O ATOM 240 CB VAL A 16 0.298 -5.477 3.321 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.477 -6.189 2.685 1.00 1.02 C ATOM 242 CG2 VAL A 16 -0.897 -5.565 2.399 1.00 0.64 C ATOM 0 H VAL A 16 -0.662 -4.198 5.420 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.569 -7.009 4.568 1.00 0.30 H new ATOM 0 HB VAL A 16 0.566 -4.431 3.471 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.685 -5.748 1.710 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.353 -6.085 3.325 1.00 1.02 H new ATOM 0 HG13 VAL A 16 1.241 -7.246 2.563 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -0.638 -5.146 1.427 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.188 -6.609 2.279 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -1.728 -5.004 2.826 1.00 0.64 H new ATOM 252 N GLU A 17 1.651 -7.546 5.625 1.00 0.22 N ATOM 253 CA GLU A 17 2.935 -7.860 6.215 1.00 0.25 C ATOM 254 C GLU A 17 3.517 -9.087 5.547 1.00 0.24 C ATOM 255 O GLU A 17 2.975 -10.188 5.680 1.00 0.28 O ATOM 256 CB GLU A 17 2.791 -8.068 7.722 1.00 0.33 C ATOM 257 CG GLU A 17 4.073 -8.513 8.410 1.00 0.44 C ATOM 258 CD GLU A 17 3.990 -8.378 9.913 1.00 0.75 C ATOM 259 OE1 GLU A 17 4.143 -7.244 10.416 1.00 1.35 O ATOM 260 OE2 GLU A 17 3.785 -9.407 10.597 1.00 1.31 O ATOM 0 H GLU A 17 1.106 -8.358 5.334 1.00 0.22 H new ATOM 0 HA GLU A 17 3.618 -7.025 6.058 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.451 -7.137 8.176 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.016 -8.813 7.903 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.281 -9.551 8.151 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.908 -7.918 8.039 1.00 0.44 H new ATOM 267 N ILE A 18 4.611 -8.917 4.819 1.00 0.24 N ATOM 268 CA ILE A 18 5.181 -10.028 4.108 1.00 0.24 C ATOM 269 C ILE A 18 6.690 -9.930 4.155 1.00 0.27 C ATOM 270 O ILE A 18 7.243 -8.832 4.179 1.00 0.33 O ATOM 271 CB ILE A 18 4.680 -10.093 2.643 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.883 -11.501 2.082 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.372 -9.058 1.768 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.977 -12.524 2.717 1.00 0.61 C ATOM 0 H ILE A 18 5.107 -8.032 4.712 1.00 0.24 H new ATOM 0 HA ILE A 18 4.860 -10.949 4.594 1.00 0.24 H new ATOM 0 HB ILE A 18 3.615 -9.861 2.639 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.708 -11.486 1.006 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.921 -11.800 2.232 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.995 -9.134 0.748 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.170 -8.060 2.156 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.447 -9.238 1.772 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.169 -13.503 2.277 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.169 -12.564 3.789 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.937 -12.246 2.545 1.00 0.61 H new ATOM 286 N HIS A 19 7.354 -11.059 4.214 1.00 0.30 N ATOM 287 CA HIS A 19 8.798 -11.062 4.248 1.00 0.33 C ATOM 288 C HIS A 19 9.330 -10.762 2.861 1.00 0.35 C ATOM 289 O HIS A 19 9.113 -11.544 1.933 1.00 0.40 O ATOM 290 CB HIS A 19 9.319 -12.401 4.763 1.00 0.39 C ATOM 291 CG HIS A 19 9.282 -12.531 6.254 1.00 0.44 C ATOM 292 ND1 HIS A 19 10.393 -12.838 7.005 1.00 0.54 N ATOM 293 CD2 HIS A 19 8.255 -12.423 7.130 1.00 0.46 C ATOM 294 CE1 HIS A 19 10.053 -12.917 8.277 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.760 -12.669 8.384 1.00 0.56 N ATOM 0 H HIS A 19 6.922 -11.983 4.239 1.00 0.30 H new ATOM 0 HA HIS A 19 9.148 -10.290 4.933 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.728 -13.204 4.323 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.345 -12.537 4.421 1.00 0.39 H new ATOM 0 HD2 HIS A 19 7.229 -12.187 6.888 1.00 0.46 H new ATOM 0 HE1 HIS A 19 10.720 -13.146 9.095 1.00 0.60 H new ATOM 0 HE2 HIS A 19 8.226 -12.661 9.253 1.00 0.56 H new ATOM 304 N LYS A 20 9.965 -9.592 2.732 1.00 0.34 N ATOM 305 CA LYS A 20 10.593 -9.140 1.479 1.00 0.36 C ATOM 306 C LYS A 20 11.133 -10.300 0.641 1.00 0.36 C ATOM 307 O LYS A 20 11.782 -11.210 1.163 1.00 0.42 O ATOM 308 CB LYS A 20 11.743 -8.178 1.780 1.00 0.40 C ATOM 309 CG LYS A 20 11.294 -6.755 2.022 1.00 1.42 C ATOM 310 CD LYS A 20 10.650 -6.148 0.785 1.00 2.33 C ATOM 311 CE LYS A 20 11.624 -6.101 -0.376 1.00 3.13 C ATOM 312 NZ LYS A 20 11.081 -5.358 -1.543 1.00 4.00 N ATOM 0 H LYS A 20 10.060 -8.925 3.498 1.00 0.34 H new ATOM 0 HA LYS A 20 9.814 -8.639 0.905 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.283 -8.534 2.657 1.00 0.40 H new ATOM 0 HB3 LYS A 20 12.445 -8.192 0.946 1.00 0.40 H new ATOM 0 HG2 LYS A 20 10.584 -6.733 2.849 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.150 -6.150 2.321 1.00 1.42 H new ATOM 0 HD2 LYS A 20 9.774 -6.733 0.504 1.00 2.33 H new ATOM 0 HD3 LYS A 20 10.301 -5.140 1.011 1.00 2.33 H new ATOM 0 HE2 LYS A 20 12.552 -5.631 -0.049 1.00 3.13 H new ATOM 0 HE3 LYS A 20 11.872 -7.118 -0.680 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 11.696 -5.510 -2.368 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 10.123 -5.701 -1.758 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 11.044 -4.343 -1.321 1.00 4.00 H new ATOM 326 N LEU A 21 10.906 -10.244 -0.664 1.00 0.33 N ATOM 327 CA LEU A 21 11.243 -11.359 -1.531 1.00 0.37 C ATOM 328 C LEU A 21 12.593 -11.114 -2.172 1.00 0.41 C ATOM 329 O LEU A 21 12.711 -10.359 -3.132 1.00 0.45 O ATOM 330 CB LEU A 21 10.164 -11.542 -2.602 1.00 0.38 C ATOM 331 CG LEU A 21 10.321 -12.781 -3.483 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.222 -14.043 -2.642 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.272 -12.782 -4.584 1.00 0.48 C ATOM 0 H LEU A 21 10.493 -9.443 -1.141 1.00 0.33 H new ATOM 0 HA LEU A 21 11.294 -12.272 -0.938 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.192 -11.587 -2.111 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.158 -10.660 -3.242 1.00 0.38 H new ATOM 0 HG LEU A 21 11.306 -12.758 -3.949 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.336 -14.917 -3.283 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.010 -14.041 -1.888 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.250 -14.077 -2.151 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.396 -13.670 -5.204 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.277 -12.786 -4.139 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.390 -11.890 -5.200 1.00 0.48 H new ATOM 345 N ARG A 22 13.611 -11.735 -1.615 1.00 0.51 N ATOM 346 CA ARG A 22 14.973 -11.470 -2.031 1.00 0.61 C ATOM 347 C ARG A 22 15.449 -12.431 -3.116 1.00 0.60 C ATOM 348 O ARG A 22 15.062 -13.600 -3.160 1.00 0.66 O ATOM 349 CB ARG A 22 15.921 -11.524 -0.832 1.00 0.88 C ATOM 350 CG ARG A 22 16.028 -12.888 -0.173 1.00 1.19 C ATOM 351 CD ARG A 22 17.112 -12.896 0.889 1.00 1.94 C ATOM 352 NE ARG A 22 17.237 -14.201 1.535 1.00 2.47 N ATOM 353 CZ ARG A 22 18.316 -14.605 2.200 1.00 3.28 C ATOM 354 NH1 ARG A 22 19.395 -13.830 2.271 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.314 -15.792 2.793 1.00 3.97 N ATOM 0 H ARG A 22 13.522 -12.428 -0.872 1.00 0.51 H new ATOM 0 HA ARG A 22 14.983 -10.467 -2.457 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.914 -11.212 -1.156 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.587 -10.801 -0.088 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.072 -13.154 0.277 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.247 -13.644 -0.927 1.00 1.19 H new ATOM 0 HD2 ARG A 22 18.065 -12.623 0.436 1.00 1.94 H new ATOM 0 HD3 ARG A 22 16.888 -12.139 1.641 1.00 1.94 H new ATOM 0 HE ARG A 22 16.447 -14.843 1.472 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.399 -12.918 1.813 1.00 3.78 H new ATOM 0 HH12 ARG A 22 20.218 -14.147 2.783 1.00 3.78 H new ATOM 0 HH21 ARG A 22 17.489 -16.389 2.737 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.138 -16.108 3.305 1.00 3.97 H new ATOM 369 N GLN A 23 16.259 -11.888 -4.009 1.00 0.68 N ATOM 370 CA GLN A 23 16.990 -12.660 -5.000 1.00 0.81 C ATOM 371 C GLN A 23 18.461 -12.326 -4.834 1.00 0.93 C ATOM 372 O GLN A 23 18.939 -11.349 -5.412 1.00 1.02 O ATOM 373 CB GLN A 23 16.567 -12.266 -6.423 1.00 0.90 C ATOM 374 CG GLN A 23 15.246 -11.530 -6.500 1.00 1.04 C ATOM 375 CD GLN A 23 14.075 -12.428 -6.863 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.762 -12.609 -8.039 1.00 1.35 O ATOM 377 NE2 GLN A 23 13.416 -12.993 -5.863 1.00 0.69 N ATOM 0 H GLN A 23 16.430 -10.884 -4.067 1.00 0.68 H new ATOM 0 HA GLN A 23 16.789 -13.722 -4.858 1.00 0.81 H new ATOM 0 HB2 GLN A 23 17.344 -11.639 -6.860 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.503 -13.167 -7.033 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.046 -11.056 -5.539 1.00 1.04 H new ATOM 0 HG3 GLN A 23 15.325 -10.733 -7.239 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.704 -12.820 -4.900 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.620 -13.601 -6.056 1.00 0.69 H new ATOM 386 N GLY A 24 19.174 -13.110 -4.043 1.00 1.03 N ATOM 387 CA GLY A 24 20.550 -12.788 -3.727 1.00 1.19 C ATOM 388 C GLY A 24 20.661 -11.516 -2.909 1.00 1.23 C ATOM 389 O GLY A 24 20.819 -11.565 -1.691 1.00 1.33 O ATOM 0 H GLY A 24 18.824 -13.966 -3.613 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.998 -13.614 -3.175 1.00 1.19 H new ATOM 0 HA3 GLY A 24 21.118 -12.676 -4.651 1.00 1.19 H new ATOM 393 N GLU A 25 20.545 -10.378 -3.579 1.00 1.27 N ATOM 394 CA GLU A 25 20.666 -9.085 -2.922 1.00 1.43 C ATOM 395 C GLU A 25 19.611 -8.123 -3.442 1.00 1.40 C ATOM 396 O GLU A 25 19.633 -6.926 -3.154 1.00 1.61 O ATOM 397 CB GLU A 25 22.063 -8.511 -3.138 1.00 1.67 C ATOM 398 CG GLU A 25 23.157 -9.351 -2.509 1.00 1.84 C ATOM 399 CD GLU A 25 24.540 -8.908 -2.925 1.00 2.03 C ATOM 400 OE1 GLU A 25 25.098 -7.999 -2.275 1.00 2.33 O ATOM 401 OE2 GLU A 25 25.084 -9.468 -3.896 1.00 2.21 O ATOM 0 H GLU A 25 20.366 -10.325 -4.582 1.00 1.27 H new ATOM 0 HA GLU A 25 20.508 -9.223 -1.852 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.251 -8.423 -4.208 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.103 -7.504 -2.723 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.073 -9.297 -1.424 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.014 -10.395 -2.788 1.00 1.84 H new ATOM 408 N ASN A 26 18.679 -8.667 -4.202 1.00 1.21 N ATOM 409 CA ASN A 26 17.616 -7.872 -4.793 1.00 1.23 C ATOM 410 C ASN A 26 16.320 -8.176 -4.085 1.00 1.05 C ATOM 411 O ASN A 26 15.861 -9.311 -4.089 1.00 1.06 O ATOM 412 CB ASN A 26 17.475 -8.181 -6.285 1.00 1.31 C ATOM 413 CG ASN A 26 18.799 -8.121 -7.010 1.00 1.39 C ATOM 414 OD1 ASN A 26 19.198 -7.072 -7.515 1.00 1.87 O ATOM 415 ND2 ASN A 26 19.492 -9.248 -7.068 1.00 1.33 N ATOM 0 H ASN A 26 18.636 -9.661 -4.426 1.00 1.21 H new ATOM 0 HA ASN A 26 17.861 -6.815 -4.683 1.00 1.23 H new ATOM 0 HB2 ASN A 26 17.040 -9.173 -6.409 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.783 -7.471 -6.737 1.00 1.31 H new ATOM 0 HD21 ASN A 26 20.393 -9.268 -7.545 1.00 1.33 H new ATOM 0 HD22 ASN A 26 19.124 -10.096 -6.636 1.00 1.33 H new ATOM 422 N LEU A 27 15.728 -7.182 -3.468 1.00 0.95 N ATOM 423 CA LEU A 27 14.526 -7.408 -2.713 1.00 0.82 C ATOM 424 C LEU A 27 13.324 -6.884 -3.465 1.00 0.71 C ATOM 425 O LEU A 27 13.152 -5.677 -3.643 1.00 0.81 O ATOM 426 CB LEU A 27 14.626 -6.793 -1.320 1.00 0.93 C ATOM 427 CG LEU A 27 15.157 -7.744 -0.243 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.609 -8.117 -0.512 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.998 -7.128 1.138 1.00 1.62 C ATOM 0 H LEU A 27 16.058 -6.217 -3.475 1.00 0.95 H new ATOM 0 HA LEU A 27 14.400 -8.483 -2.583 1.00 0.82 H new ATOM 0 HB2 LEU A 27 15.276 -5.919 -1.368 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.639 -6.440 -1.021 1.00 0.93 H new ATOM 0 HG LEU A 27 14.568 -8.660 -0.276 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.961 -8.793 0.267 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.684 -8.610 -1.481 1.00 2.28 H new ATOM 0 HD13 LEU A 27 17.222 -7.216 -0.515 1.00 2.28 H new ATOM 0 HD21 LEU A 27 15.381 -7.818 1.890 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.556 -6.193 1.186 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.943 -6.931 1.329 1.00 1.62 H new ATOM 441 N ILE A 28 12.476 -7.806 -3.861 1.00 0.57 N ATOM 442 CA ILE A 28 11.341 -7.512 -4.706 1.00 0.52 C ATOM 443 C ILE A 28 10.106 -7.289 -3.842 1.00 0.44 C ATOM 444 O ILE A 28 9.936 -7.937 -2.803 1.00 0.43 O ATOM 445 CB ILE A 28 11.112 -8.676 -5.716 1.00 0.53 C ATOM 446 CG1 ILE A 28 12.008 -8.518 -6.955 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.652 -8.800 -6.131 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.488 -8.705 -6.689 1.00 0.80 C ATOM 0 H ILE A 28 12.555 -8.790 -3.603 1.00 0.57 H new ATOM 0 HA ILE A 28 11.536 -6.603 -5.275 1.00 0.52 H new ATOM 0 HB ILE A 28 11.386 -9.597 -5.201 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.694 -9.239 -7.709 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.850 -7.526 -7.377 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.543 -9.625 -6.835 1.00 0.47 H new ATOM 0 HG22 ILE A 28 9.038 -8.991 -5.251 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.328 -7.873 -6.605 1.00 0.47 H new ATOM 0 HD11 ILE A 28 14.044 -8.576 -7.618 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.823 -7.967 -5.960 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.664 -9.707 -6.297 1.00 0.80 H new ATOM 460 N LEU A 29 9.282 -6.325 -4.239 1.00 0.51 N ATOM 461 CA LEU A 29 8.127 -5.921 -3.446 1.00 0.55 C ATOM 462 C LEU A 29 6.902 -6.733 -3.825 1.00 0.73 C ATOM 463 O LEU A 29 6.113 -7.121 -2.967 1.00 1.74 O ATOM 464 CB LEU A 29 7.839 -4.413 -3.593 1.00 0.71 C ATOM 465 CG LEU A 29 8.594 -3.670 -4.705 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.911 -2.346 -5.001 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.046 -3.421 -4.308 1.00 1.33 C ATOM 0 H LEU A 29 9.394 -5.807 -5.110 1.00 0.51 H new ATOM 0 HA LEU A 29 8.364 -6.116 -2.400 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.770 -4.286 -3.765 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.069 -3.929 -2.644 1.00 0.71 H new ATOM 0 HG LEU A 29 8.582 -4.294 -5.599 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.453 -1.826 -5.791 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.886 -2.529 -5.324 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.903 -1.731 -4.101 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.558 -2.894 -5.113 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.077 -2.817 -3.401 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.542 -4.374 -4.126 1.00 1.33 H new ATOM 479 N GLY A 30 6.753 -7.002 -5.109 1.00 0.40 N ATOM 480 CA GLY A 30 5.621 -7.771 -5.564 1.00 0.32 C ATOM 481 C GLY A 30 4.437 -6.886 -5.873 1.00 0.35 C ATOM 482 O GLY A 30 3.314 -7.362 -5.969 1.00 0.69 O ATOM 0 H GLY A 30 7.395 -6.702 -5.843 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.897 -8.334 -6.455 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.343 -8.498 -4.801 1.00 0.32 H new ATOM 486 N PHE A 31 4.687 -5.590 -5.991 1.00 0.29 N ATOM 487 CA PHE A 31 3.659 -4.634 -6.368 1.00 0.28 C ATOM 488 C PHE A 31 4.282 -3.399 -7.007 1.00 0.31 C ATOM 489 O PHE A 31 5.493 -3.206 -6.934 1.00 0.42 O ATOM 490 CB PHE A 31 2.835 -4.227 -5.138 1.00 0.28 C ATOM 491 CG PHE A 31 3.650 -3.644 -4.006 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.995 -2.298 -3.994 1.00 0.42 C ATOM 493 CD2 PHE A 31 4.054 -4.436 -2.942 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.731 -1.766 -2.954 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.790 -3.908 -1.901 1.00 0.42 C ATOM 496 CZ PHE A 31 5.124 -2.571 -1.904 1.00 0.51 C ATOM 0 H PHE A 31 5.604 -5.174 -5.829 1.00 0.29 H new ATOM 0 HA PHE A 31 3.001 -5.109 -7.096 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.085 -3.497 -5.443 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.298 -5.101 -4.770 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.684 -1.660 -4.808 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.788 -5.483 -2.928 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.999 -0.720 -2.962 1.00 0.50 H new ATOM 0 HE2 PHE A 31 5.104 -4.542 -1.085 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.692 -2.154 -1.086 1.00 0.51 H new ATOM 506 N SER A 32 3.458 -2.572 -7.635 1.00 0.25 N ATOM 507 CA SER A 32 3.905 -1.274 -8.100 1.00 0.23 C ATOM 508 C SER A 32 3.240 -0.227 -7.234 1.00 0.23 C ATOM 509 O SER A 32 2.212 -0.502 -6.625 1.00 0.29 O ATOM 510 CB SER A 32 3.565 -1.057 -9.571 1.00 0.25 C ATOM 511 OG SER A 32 4.184 0.110 -10.082 1.00 0.53 O ATOM 0 H SER A 32 2.479 -2.779 -7.832 1.00 0.25 H new ATOM 0 HA SER A 32 4.990 -1.206 -8.021 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.885 -1.923 -10.151 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.484 -0.977 -9.687 1.00 0.25 H new ATOM 0 HG SER A 32 3.947 0.219 -11.027 1.00 0.53 H new ATOM 517 N ILE A 33 3.796 0.964 -7.181 1.00 0.23 N ATOM 518 CA ILE A 33 3.428 1.902 -6.134 1.00 0.25 C ATOM 519 C ILE A 33 3.805 3.331 -6.484 1.00 0.25 C ATOM 520 O ILE A 33 4.881 3.579 -7.026 1.00 0.32 O ATOM 521 CB ILE A 33 4.152 1.507 -4.820 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.200 2.681 -3.825 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.553 1.015 -5.144 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.311 2.569 -2.791 1.00 0.37 C ATOM 0 H ILE A 33 4.496 1.306 -7.840 1.00 0.23 H new ATOM 0 HA ILE A 33 2.345 1.856 -6.018 1.00 0.25 H new ATOM 0 HB ILE A 33 3.590 0.705 -4.341 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.327 3.610 -4.381 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.242 2.746 -3.309 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.063 0.737 -4.222 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.491 0.147 -5.800 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.111 1.808 -5.643 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.279 3.433 -2.127 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.175 1.658 -2.208 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.276 2.536 -3.296 1.00 0.37 H new ATOM 536 N GLY A 34 2.908 4.259 -6.188 1.00 0.26 N ATOM 537 CA GLY A 34 3.317 5.622 -5.992 1.00 0.43 C ATOM 538 C GLY A 34 2.539 6.260 -4.866 1.00 0.30 C ATOM 539 O GLY A 34 1.315 6.316 -4.874 1.00 0.72 O ATOM 0 H GLY A 34 1.908 4.087 -6.082 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.383 5.658 -5.769 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.165 6.188 -6.911 1.00 0.43 H new ATOM 543 N GLY A 35 3.258 6.647 -3.851 1.00 0.77 N ATOM 544 CA GLY A 35 2.697 7.455 -2.799 1.00 0.93 C ATOM 545 C GLY A 35 3.668 8.491 -2.343 1.00 0.73 C ATOM 546 O GLY A 35 4.727 8.128 -1.863 1.00 1.42 O ATOM 0 H GLY A 35 4.243 6.415 -3.727 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.786 7.937 -3.153 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.416 6.820 -1.959 1.00 0.93 H new ATOM 550 N GLY A 36 3.378 9.752 -2.491 1.00 0.40 N ATOM 551 CA GLY A 36 4.303 10.710 -1.957 1.00 0.39 C ATOM 552 C GLY A 36 3.726 12.096 -1.832 1.00 0.35 C ATOM 553 O GLY A 36 2.921 12.511 -2.663 1.00 0.48 O ATOM 0 H GLY A 36 2.551 10.129 -2.953 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.636 10.374 -0.975 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.185 10.748 -2.597 1.00 0.39 H new ATOM 557 N ILE A 37 4.142 12.816 -0.803 1.00 0.37 N ATOM 558 CA ILE A 37 4.164 14.265 -0.885 1.00 0.41 C ATOM 559 C ILE A 37 5.261 14.645 -1.865 1.00 0.38 C ATOM 560 O ILE A 37 5.393 15.788 -2.287 1.00 0.46 O ATOM 561 CB ILE A 37 4.447 14.923 0.470 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.750 14.365 1.041 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.281 14.704 1.412 1.00 0.52 C ATOM 564 CD1 ILE A 37 6.203 15.042 2.313 1.00 0.49 C ATOM 0 H ILE A 37 4.464 12.428 0.084 1.00 0.37 H new ATOM 0 HA ILE A 37 3.184 14.615 -1.210 1.00 0.41 H new ATOM 0 HB ILE A 37 4.564 15.999 0.342 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.623 13.300 1.234 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.535 14.462 0.291 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.494 15.176 2.371 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.380 15.143 0.984 1.00 0.52 H new ATOM 0 HG23 ILE A 37 3.129 13.635 1.560 1.00 0.52 H new ATOM 0 HD11 ILE A 37 7.134 14.589 2.654 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.364 16.103 2.123 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.439 14.923 3.081 1.00 0.49 H new ATOM 576 N ASP A 38 6.057 13.635 -2.197 1.00 0.35 N ATOM 577 CA ASP A 38 7.061 13.741 -3.226 1.00 0.40 C ATOM 578 C ASP A 38 6.393 13.824 -4.595 1.00 0.56 C ATOM 579 O ASP A 38 6.820 14.582 -5.464 1.00 0.69 O ATOM 580 CB ASP A 38 7.994 12.529 -3.191 1.00 0.39 C ATOM 581 CG ASP A 38 8.543 12.137 -4.550 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.509 12.770 -5.021 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.010 11.174 -5.136 1.00 0.72 O ATOM 0 H ASP A 38 6.016 12.718 -1.752 1.00 0.35 H new ATOM 0 HA ASP A 38 7.645 14.644 -3.047 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.827 12.743 -2.521 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.456 11.680 -2.769 1.00 0.39 H new ATOM 588 N GLN A 39 5.319 13.036 -4.755 1.00 0.63 N ATOM 589 CA GLN A 39 4.658 12.865 -6.052 1.00 0.85 C ATOM 590 C GLN A 39 4.134 14.196 -6.591 1.00 0.93 C ATOM 591 O GLN A 39 4.787 14.829 -7.422 1.00 1.19 O ATOM 592 CB GLN A 39 3.524 11.833 -5.942 1.00 0.98 C ATOM 593 CG GLN A 39 4.007 10.426 -5.621 1.00 1.00 C ATOM 594 CD GLN A 39 4.851 9.823 -6.727 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.341 9.138 -7.613 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.150 10.071 -6.684 1.00 0.82 N ATOM 0 H GLN A 39 4.890 12.506 -3.996 1.00 0.63 H new ATOM 0 HA GLN A 39 5.398 12.494 -6.761 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.827 12.154 -5.168 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.971 11.812 -6.881 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.588 10.449 -4.699 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.145 9.785 -5.438 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.535 10.644 -5.933 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.766 9.690 -7.402 1.00 0.82 H new ATOM 605 N ASP A 40 2.966 14.624 -6.129 1.00 1.05 N ATOM 606 CA ASP A 40 2.422 15.913 -6.536 1.00 1.20 C ATOM 607 C ASP A 40 1.408 16.438 -5.521 1.00 1.52 C ATOM 608 O ASP A 40 0.228 16.104 -5.555 1.00 1.82 O ATOM 609 CB ASP A 40 1.809 15.853 -7.950 1.00 1.55 C ATOM 610 CG ASP A 40 0.678 14.849 -8.107 1.00 1.97 C ATOM 611 OD1 ASP A 40 0.959 13.631 -8.098 1.00 2.57 O ATOM 612 OD2 ASP A 40 -0.494 15.270 -8.202 1.00 2.32 O ATOM 0 H ASP A 40 2.381 14.102 -5.477 1.00 1.05 H new ATOM 0 HA ASP A 40 3.255 16.615 -6.569 1.00 1.20 H new ATOM 0 HB2 ASP A 40 1.437 16.843 -8.213 1.00 1.55 H new ATOM 0 HB3 ASP A 40 2.596 15.608 -8.663 1.00 1.55 H new ATOM 617 N PRO A 41 1.880 17.257 -4.572 1.00 1.71 N ATOM 618 CA PRO A 41 1.024 17.924 -3.593 1.00 2.21 C ATOM 619 C PRO A 41 0.344 19.143 -4.189 1.00 2.39 C ATOM 620 O PRO A 41 -0.569 19.715 -3.600 1.00 2.82 O ATOM 621 CB PRO A 41 1.998 18.374 -2.496 1.00 2.49 C ATOM 622 CG PRO A 41 3.338 17.831 -2.878 1.00 2.20 C ATOM 623 CD PRO A 41 3.290 17.584 -4.354 1.00 1.69 C ATOM 0 HA PRO A 41 0.231 17.267 -3.236 1.00 2.21 H new ATOM 0 HB2 PRO A 41 2.025 19.461 -2.422 1.00 2.49 H new ATOM 0 HB3 PRO A 41 1.688 17.996 -1.522 1.00 2.49 H new ATOM 0 HG2 PRO A 41 4.129 18.538 -2.628 1.00 2.20 H new ATOM 0 HG3 PRO A 41 3.552 16.909 -2.337 1.00 2.20 H new ATOM 0 HD2 PRO A 41 3.596 18.462 -4.923 1.00 1.69 H new ATOM 0 HD3 PRO A 41 3.947 16.767 -4.651 1.00 1.69 H new ATOM 631 N SER A 42 0.782 19.510 -5.378 1.00 2.18 N ATOM 632 CA SER A 42 0.369 20.747 -6.022 1.00 2.37 C ATOM 633 C SER A 42 -1.071 20.678 -6.546 1.00 2.72 C ATOM 634 O SER A 42 -1.428 21.373 -7.498 1.00 3.26 O ATOM 635 CB SER A 42 1.349 21.054 -7.156 1.00 2.18 C ATOM 636 OG SER A 42 1.094 22.316 -7.745 1.00 2.34 O ATOM 0 H SER A 42 1.438 18.957 -5.929 1.00 2.18 H new ATOM 0 HA SER A 42 0.385 21.549 -5.284 1.00 2.37 H new ATOM 0 HB2 SER A 42 2.369 21.032 -6.771 1.00 2.18 H new ATOM 0 HB3 SER A 42 1.279 20.277 -7.917 1.00 2.18 H new ATOM 0 HG SER A 42 0.137 22.398 -7.941 1.00 2.34 H new ATOM 642 N GLN A 43 -1.907 19.874 -5.900 1.00 2.58 N ATOM 643 CA GLN A 43 -3.302 19.787 -6.254 1.00 3.01 C ATOM 644 C GLN A 43 -4.107 20.420 -5.137 1.00 3.16 C ATOM 645 O GLN A 43 -4.941 21.297 -5.369 1.00 3.55 O ATOM 646 CB GLN A 43 -3.745 18.328 -6.421 1.00 3.10 C ATOM 647 CG GLN A 43 -2.835 17.472 -7.294 1.00 3.27 C ATOM 648 CD GLN A 43 -2.613 18.042 -8.683 1.00 3.19 C ATOM 649 OE1 GLN A 43 -3.446 18.781 -9.210 1.00 3.88 O ATOM 650 NE2 GLN A 43 -1.507 17.661 -9.306 1.00 2.74 N ATOM 0 H GLN A 43 -1.632 19.272 -5.124 1.00 2.58 H new ATOM 0 HA GLN A 43 -3.462 20.300 -7.202 1.00 3.01 H new ATOM 0 HB2 GLN A 43 -3.812 17.870 -5.434 1.00 3.10 H new ATOM 0 HB3 GLN A 43 -4.748 18.316 -6.847 1.00 3.10 H new ATOM 0 HG2 GLN A 43 -1.871 17.360 -6.798 1.00 3.27 H new ATOM 0 HG3 GLN A 43 -3.265 16.475 -7.384 1.00 3.27 H new ATOM 0 HE21 GLN A 43 -0.842 17.048 -8.835 1.00 2.74 H new ATOM 0 HE22 GLN A 43 -1.321 17.981 -10.257 1.00 2.74 H new ATOM 659 N ASN A 44 -3.790 19.991 -3.910 1.00 3.05 N ATOM 660 CA ASN A 44 -4.540 20.323 -2.726 1.00 3.30 C ATOM 661 C ASN A 44 -4.123 19.323 -1.673 1.00 3.09 C ATOM 662 O ASN A 44 -4.781 18.310 -1.474 1.00 3.14 O ATOM 663 CB ASN A 44 -6.042 20.218 -2.976 1.00 3.86 C ATOM 664 CG ASN A 44 -6.868 20.647 -1.774 1.00 4.45 C ATOM 665 OD1 ASN A 44 -6.450 21.503 -0.996 1.00 4.63 O ATOM 666 ND2 ASN A 44 -8.044 20.060 -1.613 1.00 5.14 N ATOM 0 H ASN A 44 -2.986 19.392 -3.725 1.00 3.05 H new ATOM 0 HA ASN A 44 -4.340 21.349 -2.418 1.00 3.30 H new ATOM 0 HB2 ASN A 44 -6.308 20.836 -3.834 1.00 3.86 H new ATOM 0 HB3 ASN A 44 -6.292 19.189 -3.235 1.00 3.86 H new ATOM 0 HD21 ASN A 44 -8.637 20.314 -0.823 1.00 5.14 H new ATOM 0 HD22 ASN A 44 -8.357 19.354 -2.279 1.00 5.14 H new ATOM 673 N PRO A 45 -2.993 19.579 -1.012 1.00 3.14 N ATOM 674 CA PRO A 45 -2.324 18.598 -0.157 1.00 3.25 C ATOM 675 C PRO A 45 -3.009 18.444 1.195 1.00 3.09 C ATOM 676 O PRO A 45 -2.393 18.034 2.184 1.00 3.46 O ATOM 677 CB PRO A 45 -0.917 19.179 0.022 1.00 3.62 C ATOM 678 CG PRO A 45 -0.867 20.449 -0.767 1.00 3.71 C ATOM 679 CD PRO A 45 -2.286 20.860 -1.010 1.00 3.49 C ATOM 0 HA PRO A 45 -2.336 17.601 -0.598 1.00 3.25 H new ATOM 0 HB2 PRO A 45 -0.709 19.370 1.075 1.00 3.62 H new ATOM 0 HB3 PRO A 45 -0.162 18.476 -0.329 1.00 3.62 H new ATOM 0 HG2 PRO A 45 -0.328 21.223 -0.221 1.00 3.71 H new ATOM 0 HG3 PRO A 45 -0.341 20.299 -1.710 1.00 3.71 H new ATOM 0 HD2 PRO A 45 -2.655 21.525 -0.229 1.00 3.49 H new ATOM 0 HD3 PRO A 45 -2.399 21.387 -1.957 1.00 3.49 H new ATOM 687 N PHE A 46 -4.291 18.740 1.202 1.00 2.85 N ATOM 688 CA PHE A 46 -5.095 18.781 2.405 1.00 2.97 C ATOM 689 C PHE A 46 -6.468 18.218 2.087 1.00 2.64 C ATOM 690 O PHE A 46 -7.462 18.505 2.761 1.00 2.98 O ATOM 691 CB PHE A 46 -5.236 20.228 2.839 1.00 3.62 C ATOM 692 CG PHE A 46 -5.715 20.415 4.252 1.00 4.08 C ATOM 693 CD1 PHE A 46 -4.941 19.989 5.320 1.00 4.79 C ATOM 694 CD2 PHE A 46 -6.937 21.017 4.514 1.00 4.19 C ATOM 695 CE1 PHE A 46 -5.376 20.158 6.621 1.00 5.53 C ATOM 696 CE2 PHE A 46 -7.375 21.188 5.815 1.00 4.97 C ATOM 697 CZ PHE A 46 -6.593 20.757 6.868 1.00 5.62 C ATOM 0 H PHE A 46 -4.814 18.963 0.355 1.00 2.85 H new ATOM 0 HA PHE A 46 -4.630 18.197 3.199 1.00 2.97 H new ATOM 0 HB2 PHE A 46 -4.271 20.722 2.728 1.00 3.62 H new ATOM 0 HB3 PHE A 46 -5.930 20.730 2.165 1.00 3.62 H new ATOM 0 HD1 PHE A 46 -3.987 19.519 5.133 1.00 4.79 H new ATOM 0 HD2 PHE A 46 -7.553 21.356 3.694 1.00 4.19 H new ATOM 0 HE1 PHE A 46 -4.763 19.821 7.444 1.00 5.53 H new ATOM 0 HE2 PHE A 46 -8.328 21.658 6.007 1.00 4.97 H new ATOM 0 HZ PHE A 46 -6.934 20.889 7.884 1.00 5.62 H new ATOM 707 N SER A 47 -6.508 17.413 1.049 1.00 2.52 N ATOM 708 CA SER A 47 -7.737 16.916 0.508 1.00 2.56 C ATOM 709 C SER A 47 -8.389 15.885 1.414 1.00 3.05 C ATOM 710 O SER A 47 -7.958 15.646 2.540 1.00 3.73 O ATOM 711 CB SER A 47 -7.458 16.324 -0.864 1.00 3.07 C ATOM 712 OG SER A 47 -7.270 17.335 -1.835 1.00 3.77 O ATOM 0 H SER A 47 -5.676 17.086 0.557 1.00 2.52 H new ATOM 0 HA SER A 47 -8.441 17.744 0.426 1.00 2.56 H new ATOM 0 HB2 SER A 47 -6.570 15.694 -0.816 1.00 3.07 H new ATOM 0 HB3 SER A 47 -8.288 15.683 -1.161 1.00 3.07 H new ATOM 0 HG SER A 47 -6.318 17.563 -1.890 1.00 3.77 H new ATOM 718 N GLU A 48 -9.436 15.310 0.865 1.00 3.23 N ATOM 719 CA GLU A 48 -10.280 14.300 1.487 1.00 4.12 C ATOM 720 C GLU A 48 -9.651 13.513 2.640 1.00 4.20 C ATOM 721 O GLU A 48 -10.045 13.676 3.794 1.00 5.09 O ATOM 722 CB GLU A 48 -10.612 13.329 0.377 1.00 4.52 C ATOM 723 CG GLU A 48 -11.890 13.662 -0.379 1.00 5.60 C ATOM 724 CD GLU A 48 -11.807 14.982 -1.120 1.00 6.36 C ATOM 725 OE1 GLU A 48 -12.118 16.028 -0.518 1.00 6.78 O ATOM 726 OE2 GLU A 48 -11.434 14.979 -2.310 1.00 6.76 O ATOM 0 H GLU A 48 -9.743 15.544 -0.079 1.00 3.23 H new ATOM 0 HA GLU A 48 -11.131 14.811 1.938 1.00 4.12 H new ATOM 0 HB2 GLU A 48 -9.782 13.303 -0.329 1.00 4.52 H new ATOM 0 HB3 GLU A 48 -10.703 12.328 0.799 1.00 4.52 H new ATOM 0 HG2 GLU A 48 -12.104 12.864 -1.090 1.00 5.60 H new ATOM 0 HG3 GLU A 48 -12.723 13.696 0.323 1.00 5.60 H new ATOM 733 N ASP A 49 -8.685 12.661 2.328 1.00 3.44 N ATOM 734 CA ASP A 49 -8.210 11.674 3.291 1.00 3.59 C ATOM 735 C ASP A 49 -6.994 10.953 2.732 1.00 2.68 C ATOM 736 O ASP A 49 -6.182 11.558 2.037 1.00 2.54 O ATOM 737 CB ASP A 49 -9.331 10.667 3.554 1.00 4.14 C ATOM 738 CG ASP A 49 -9.117 9.856 4.815 1.00 4.88 C ATOM 739 OD1 ASP A 49 -8.895 10.449 5.887 1.00 5.47 O ATOM 740 OD2 ASP A 49 -9.160 8.620 4.724 1.00 5.10 O ATOM 0 H ASP A 49 -8.217 12.632 1.422 1.00 3.44 H new ATOM 0 HA ASP A 49 -7.929 12.169 4.221 1.00 3.59 H new ATOM 0 HB2 ASP A 49 -10.279 11.199 3.628 1.00 4.14 H new ATOM 0 HB3 ASP A 49 -9.411 9.990 2.703 1.00 4.14 H new ATOM 745 N LYS A 50 -6.883 9.648 3.007 1.00 2.41 N ATOM 746 CA LYS A 50 -5.817 8.827 2.436 1.00 1.76 C ATOM 747 C LYS A 50 -5.890 8.803 0.918 1.00 1.67 C ATOM 748 O LYS A 50 -4.959 8.362 0.254 1.00 2.01 O ATOM 749 CB LYS A 50 -5.853 7.383 2.969 1.00 1.83 C ATOM 750 CG LYS A 50 -7.230 6.833 3.332 1.00 1.31 C ATOM 751 CD LYS A 50 -8.171 6.766 2.137 1.00 1.63 C ATOM 752 CE LYS A 50 -9.458 6.022 2.472 1.00 2.28 C ATOM 753 NZ LYS A 50 -10.021 6.436 3.783 1.00 3.07 N ATOM 0 H LYS A 50 -7.520 9.141 3.622 1.00 2.41 H new ATOM 0 HA LYS A 50 -4.878 9.287 2.743 1.00 1.76 H new ATOM 0 HB2 LYS A 50 -5.410 6.729 2.218 1.00 1.83 H new ATOM 0 HB3 LYS A 50 -5.218 7.328 3.853 1.00 1.83 H new ATOM 0 HG2 LYS A 50 -7.118 5.835 3.757 1.00 1.31 H new ATOM 0 HG3 LYS A 50 -7.675 7.460 4.105 1.00 1.31 H new ATOM 0 HD2 LYS A 50 -8.411 7.776 1.806 1.00 1.63 H new ATOM 0 HD3 LYS A 50 -7.669 6.269 1.307 1.00 1.63 H new ATOM 0 HE2 LYS A 50 -10.194 6.203 1.689 1.00 2.28 H new ATOM 0 HE3 LYS A 50 -9.263 4.950 2.485 1.00 2.28 H new ATOM 0 HZ1 LYS A 50 -11.055 6.323 3.768 1.00 3.07 H new ATOM 0 HZ2 LYS A 50 -9.619 5.843 4.537 1.00 3.07 H new ATOM 0 HZ3 LYS A 50 -9.784 7.433 3.963 1.00 3.07 H new ATOM 767 N THR A 51 -7.002 9.269 0.369 1.00 2.06 N ATOM 768 CA THR A 51 -7.170 9.260 -1.062 1.00 2.68 C ATOM 769 C THR A 51 -6.391 10.414 -1.705 1.00 2.31 C ATOM 770 O THR A 51 -6.195 10.446 -2.922 1.00 2.92 O ATOM 771 CB THR A 51 -8.657 9.314 -1.470 1.00 3.69 C ATOM 772 OG1 THR A 51 -8.782 9.172 -2.887 1.00 4.56 O ATOM 773 CG2 THR A 51 -9.302 10.614 -1.031 1.00 3.71 C ATOM 0 H THR A 51 -7.789 9.653 0.892 1.00 2.06 H new ATOM 0 HA THR A 51 -6.767 8.317 -1.430 1.00 2.68 H new ATOM 0 HB THR A 51 -9.170 8.491 -0.972 1.00 3.69 H new ATOM 0 HG1 THR A 51 -7.966 9.497 -3.322 1.00 4.56 H new ATOM 0 HG21 THR A 51 -10.349 10.621 -1.333 1.00 3.71 H new ATOM 0 HG22 THR A 51 -9.237 10.705 0.053 1.00 3.71 H new ATOM 0 HG23 THR A 51 -8.784 11.453 -1.497 1.00 3.71 H new ATOM 781 N ASP A 52 -5.973 11.365 -0.868 1.00 1.72 N ATOM 782 CA ASP A 52 -5.085 12.458 -1.289 1.00 1.38 C ATOM 783 C ASP A 52 -3.694 11.919 -1.659 1.00 1.45 C ATOM 784 O ASP A 52 -3.508 10.721 -1.884 1.00 2.13 O ATOM 785 CB ASP A 52 -4.926 13.466 -0.144 1.00 1.44 C ATOM 786 CG ASP A 52 -4.498 14.852 -0.604 1.00 2.02 C ATOM 787 OD1 ASP A 52 -4.282 15.047 -1.815 1.00 2.34 O ATOM 788 OD2 ASP A 52 -4.348 15.740 0.260 1.00 2.60 O ATOM 0 H ASP A 52 -6.237 11.403 0.117 1.00 1.72 H new ATOM 0 HA ASP A 52 -5.530 12.939 -2.160 1.00 1.38 H new ATOM 0 HB2 ASP A 52 -5.872 13.547 0.391 1.00 1.44 H new ATOM 0 HB3 ASP A 52 -4.190 13.085 0.564 1.00 1.44 H new ATOM 793 N LYS A 53 -2.717 12.814 -1.697 1.00 1.32 N ATOM 794 CA LYS A 53 -1.343 12.458 -1.996 1.00 1.78 C ATOM 795 C LYS A 53 -0.646 11.813 -0.802 1.00 1.57 C ATOM 796 O LYS A 53 0.306 12.360 -0.238 1.00 2.37 O ATOM 797 CB LYS A 53 -0.543 13.672 -2.502 1.00 2.30 C ATOM 798 CG LYS A 53 -0.928 15.044 -1.931 1.00 2.22 C ATOM 799 CD LYS A 53 -0.478 15.261 -0.485 1.00 2.32 C ATOM 800 CE LYS A 53 -1.489 14.722 0.515 1.00 2.67 C ATOM 801 NZ LYS A 53 -1.282 15.268 1.880 1.00 3.48 N ATOM 0 H LYS A 53 -2.858 13.809 -1.521 1.00 1.32 H new ATOM 0 HA LYS A 53 -1.378 11.718 -2.795 1.00 1.78 H new ATOM 0 HB2 LYS A 53 0.511 13.498 -2.285 1.00 2.30 H new ATOM 0 HB3 LYS A 53 -0.643 13.716 -3.587 1.00 2.30 H new ATOM 0 HG2 LYS A 53 -0.493 15.823 -2.558 1.00 2.22 H new ATOM 0 HG3 LYS A 53 -2.011 15.159 -1.986 1.00 2.22 H new ATOM 0 HD2 LYS A 53 0.483 14.772 -0.328 1.00 2.32 H new ATOM 0 HD3 LYS A 53 -0.327 16.326 -0.309 1.00 2.32 H new ATOM 0 HE2 LYS A 53 -2.496 14.967 0.177 1.00 2.67 H new ATOM 0 HE3 LYS A 53 -1.420 13.635 0.547 1.00 2.67 H new ATOM 0 HZ1 LYS A 53 -1.743 14.648 2.576 1.00 3.48 H new ATOM 0 HZ2 LYS A 53 -0.263 15.319 2.083 1.00 3.48 H new ATOM 0 HZ3 LYS A 53 -1.694 16.221 1.939 1.00 3.48 H new ATOM 815 N GLY A 54 -1.142 10.653 -0.420 1.00 0.78 N ATOM 816 CA GLY A 54 -0.516 9.891 0.631 1.00 0.65 C ATOM 817 C GLY A 54 0.471 8.918 0.022 1.00 0.53 C ATOM 818 O GLY A 54 1.122 9.272 -0.968 1.00 0.57 O ATOM 0 H GLY A 54 -1.974 10.222 -0.823 1.00 0.78 H new ATOM 0 HA2 GLY A 54 -0.005 10.558 1.325 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.270 9.351 1.204 1.00 0.65 H new ATOM 822 N ILE A 55 0.602 7.700 0.553 1.00 0.48 N ATOM 823 CA ILE A 55 1.343 6.688 -0.177 1.00 0.40 C ATOM 824 C ILE A 55 0.343 5.641 -0.643 1.00 0.33 C ATOM 825 O ILE A 55 -0.581 5.359 0.082 1.00 0.43 O ATOM 826 CB ILE A 55 2.507 6.065 0.655 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.752 6.965 0.617 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.895 4.700 0.115 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.635 8.293 1.325 1.00 0.54 C ATOM 0 H ILE A 55 0.219 7.404 1.451 1.00 0.48 H new ATOM 0 HA ILE A 55 1.838 7.146 -1.033 1.00 0.40 H new ATOM 0 HB ILE A 55 2.148 5.969 1.680 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.586 6.416 1.054 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.007 7.154 -0.426 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.708 4.290 0.714 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.035 4.032 0.164 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.220 4.798 -0.921 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.573 8.840 1.231 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.830 8.875 0.877 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.417 8.125 2.380 1.00 0.54 H new ATOM 841 N TYR A 56 0.436 5.134 -1.877 1.00 0.25 N ATOM 842 CA TYR A 56 -0.550 4.167 -2.330 1.00 0.23 C ATOM 843 C TYR A 56 0.017 3.244 -3.380 1.00 0.18 C ATOM 844 O TYR A 56 0.948 3.588 -4.106 1.00 0.28 O ATOM 845 CB TYR A 56 -1.852 4.830 -2.820 1.00 0.36 C ATOM 846 CG TYR A 56 -1.693 6.179 -3.473 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.253 7.262 -2.739 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.999 6.366 -4.806 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.116 8.507 -3.309 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.876 7.611 -5.394 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.427 8.678 -4.640 1.00 1.01 C ATOM 852 OH TYR A 56 -1.312 9.923 -5.214 1.00 1.42 O ATOM 0 H TYR A 56 1.161 5.371 -2.555 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.810 3.567 -1.458 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.335 4.158 -3.529 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.526 4.935 -1.970 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.011 7.129 -1.695 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.339 5.529 -5.397 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.768 9.342 -2.719 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.129 7.749 -6.435 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.568 9.873 -6.159 1.00 1.42 H new ATOM 862 N VAL A 57 -0.536 2.053 -3.418 1.00 0.18 N ATOM 863 CA VAL A 57 -0.043 1.016 -4.281 1.00 0.17 C ATOM 864 C VAL A 57 -0.768 1.067 -5.616 1.00 0.16 C ATOM 865 O VAL A 57 -1.994 1.187 -5.667 1.00 0.22 O ATOM 866 CB VAL A 57 -0.176 -0.361 -3.595 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.578 -0.930 -3.665 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.828 -1.345 -4.139 1.00 0.58 C ATOM 0 H VAL A 57 -1.339 1.781 -2.851 1.00 0.18 H new ATOM 0 HA VAL A 57 1.017 1.175 -4.476 1.00 0.17 H new ATOM 0 HB VAL A 57 0.039 -0.192 -2.540 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.603 -1.898 -3.165 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.272 -0.249 -3.173 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.869 -1.053 -4.708 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.708 -2.304 -3.635 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.667 -1.475 -5.209 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.836 -0.969 -3.967 1.00 0.58 H new ATOM 878 N THR A 58 0.013 1.019 -6.682 1.00 0.17 N ATOM 879 CA THR A 58 -0.494 1.167 -8.032 1.00 0.24 C ATOM 880 C THR A 58 -0.670 -0.197 -8.698 1.00 0.38 C ATOM 881 O THR A 58 -1.337 -0.329 -9.721 1.00 1.11 O ATOM 882 CB THR A 58 0.472 2.031 -8.861 1.00 0.39 C ATOM 883 OG1 THR A 58 0.749 3.253 -8.163 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.105 2.346 -10.228 1.00 0.69 C ATOM 0 H THR A 58 1.022 0.875 -6.633 1.00 0.17 H new ATOM 0 HA THR A 58 -1.467 1.656 -7.983 1.00 0.24 H new ATOM 0 HB THR A 58 1.394 1.467 -9.002 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.366 3.800 -8.693 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.602 2.958 -10.789 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.289 1.417 -10.768 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.042 2.890 -10.111 1.00 0.69 H new ATOM 892 N ARG A 59 -0.054 -1.210 -8.123 1.00 0.31 N ATOM 893 CA ARG A 59 -0.223 -2.569 -8.611 1.00 0.26 C ATOM 894 C ARG A 59 -0.127 -3.600 -7.503 1.00 0.26 C ATOM 895 O ARG A 59 -0.264 -3.288 -6.317 1.00 0.27 O ATOM 896 CB ARG A 59 0.828 -2.929 -9.659 1.00 0.26 C ATOM 897 CG ARG A 59 0.553 -2.393 -11.042 1.00 0.34 C ATOM 898 CD ARG A 59 1.518 -2.999 -12.046 1.00 0.45 C ATOM 899 NE ARG A 59 1.300 -2.522 -13.406 1.00 1.06 N ATOM 900 CZ ARG A 59 1.471 -3.284 -14.487 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.803 -4.565 -14.349 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.307 -2.769 -15.699 1.00 2.27 N ATOM 0 H ARG A 59 0.567 -1.121 -7.319 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.221 -2.591 -9.048 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.796 -2.555 -9.326 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.908 -4.015 -9.715 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.473 -2.622 -11.330 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.650 -1.307 -11.044 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.540 -2.767 -11.745 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.419 -4.084 -12.027 1.00 0.45 H new ATOM 0 HE ARG A 59 1.001 -1.556 -13.538 1.00 1.06 H new ATOM 0 HH11 ARG A 59 1.926 -4.962 -13.418 1.00 1.52 H new ATOM 0 HH12 ARG A 59 1.934 -5.150 -15.174 1.00 1.52 H new ATOM 0 HH21 ARG A 59 1.049 -1.788 -15.806 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.439 -3.354 -16.524 1.00 2.27 H new ATOM 916 N VAL A 60 -0.005 -4.839 -7.971 1.00 0.26 N ATOM 917 CA VAL A 60 0.514 -5.985 -7.225 1.00 0.27 C ATOM 918 C VAL A 60 0.851 -7.061 -8.243 1.00 0.36 C ATOM 919 O VAL A 60 -0.034 -7.525 -8.963 1.00 0.51 O ATOM 920 CB VAL A 60 -0.440 -6.621 -6.182 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.213 -7.874 -5.620 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.763 -5.682 -5.039 1.00 0.75 C ATOM 0 H VAL A 60 -0.277 -5.084 -8.923 1.00 0.26 H new ATOM 0 HA VAL A 60 1.360 -5.606 -6.652 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.376 -6.853 -6.690 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.449 -8.331 -4.884 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.400 -8.581 -6.428 1.00 0.83 H new ATOM 0 HG13 VAL A 60 1.157 -7.610 -5.144 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.434 -6.179 -4.339 1.00 0.75 H new ATOM 0 HG22 VAL A 60 0.157 -5.405 -4.525 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.245 -4.786 -5.430 1.00 0.75 H new ATOM 932 N SER A 61 2.113 -7.434 -8.337 1.00 0.45 N ATOM 933 CA SER A 61 2.510 -8.463 -9.271 1.00 0.56 C ATOM 934 C SER A 61 1.898 -9.789 -8.868 1.00 0.56 C ATOM 935 O SER A 61 2.152 -10.303 -7.776 1.00 0.64 O ATOM 936 CB SER A 61 4.025 -8.594 -9.337 1.00 0.72 C ATOM 937 OG SER A 61 4.644 -7.316 -9.400 1.00 1.65 O ATOM 0 H SER A 61 2.873 -7.042 -7.782 1.00 0.45 H new ATOM 0 HA SER A 61 2.150 -8.179 -10.260 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.385 -9.134 -8.461 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.305 -9.181 -10.211 1.00 0.72 H new ATOM 0 HG SER A 61 5.617 -7.425 -9.440 1.00 1.65 H new ATOM 943 N GLU A 62 1.072 -10.300 -9.751 1.00 0.68 N ATOM 944 CA GLU A 62 0.411 -11.579 -9.583 1.00 0.73 C ATOM 945 C GLU A 62 1.363 -12.665 -9.115 1.00 0.74 C ATOM 946 O GLU A 62 2.274 -13.068 -9.841 1.00 0.84 O ATOM 947 CB GLU A 62 -0.193 -11.939 -10.917 1.00 0.86 C ATOM 948 CG GLU A 62 -1.413 -11.098 -11.245 1.00 1.45 C ATOM 949 CD GLU A 62 -1.647 -10.946 -12.734 1.00 1.62 C ATOM 950 OE1 GLU A 62 -2.319 -11.821 -13.330 1.00 1.75 O ATOM 951 OE2 GLU A 62 -1.171 -9.952 -13.317 1.00 1.85 O ATOM 0 H GLU A 62 0.834 -9.831 -10.625 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.352 -11.499 -8.809 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.555 -11.809 -11.699 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.471 -12.993 -10.914 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.293 -11.552 -10.789 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.297 -10.110 -10.799 1.00 1.45 H new ATOM 958 N GLY A 63 1.162 -13.116 -7.890 1.00 0.76 N ATOM 959 CA GLY A 63 1.971 -14.182 -7.357 1.00 0.86 C ATOM 960 C GLY A 63 3.037 -13.683 -6.403 1.00 0.80 C ATOM 961 O GLY A 63 3.625 -14.466 -5.659 1.00 0.92 O ATOM 0 H GLY A 63 0.449 -12.760 -7.254 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.330 -14.895 -6.839 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.446 -14.718 -8.178 1.00 0.86 H new ATOM 965 N GLY A 64 3.294 -12.377 -6.415 1.00 0.67 N ATOM 966 CA GLY A 64 4.284 -11.825 -5.527 1.00 0.66 C ATOM 967 C GLY A 64 3.777 -11.708 -4.121 1.00 0.63 C ATOM 968 O GLY A 64 2.588 -11.869 -3.858 1.00 0.99 O ATOM 0 H GLY A 64 2.833 -11.700 -7.023 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.174 -12.455 -5.540 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.585 -10.841 -5.887 1.00 0.66 H new ATOM 972 N PRO A 65 4.667 -11.352 -3.214 1.00 0.37 N ATOM 973 CA PRO A 65 4.431 -11.465 -1.781 1.00 0.27 C ATOM 974 C PRO A 65 3.389 -10.501 -1.274 1.00 0.23 C ATOM 975 O PRO A 65 2.724 -10.744 -0.266 1.00 0.29 O ATOM 976 CB PRO A 65 5.800 -11.175 -1.194 1.00 0.32 C ATOM 977 CG PRO A 65 6.486 -10.313 -2.197 1.00 0.43 C ATOM 978 CD PRO A 65 5.982 -10.771 -3.531 1.00 0.44 C ATOM 0 HA PRO A 65 4.031 -12.440 -1.501 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.716 -10.668 -0.233 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.357 -12.096 -1.021 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.257 -9.260 -2.032 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.569 -10.418 -2.130 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.897 -9.943 -4.235 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.648 -11.506 -3.982 1.00 0.44 H new ATOM 986 N ALA A 66 3.237 -9.431 -1.999 1.00 0.22 N ATOM 987 CA ALA A 66 2.242 -8.437 -1.697 1.00 0.24 C ATOM 988 C ALA A 66 0.834 -9.021 -1.763 1.00 0.29 C ATOM 989 O ALA A 66 -0.028 -8.668 -0.962 1.00 0.36 O ATOM 990 CB ALA A 66 2.391 -7.311 -2.679 1.00 0.27 C ATOM 0 H ALA A 66 3.802 -9.220 -2.822 1.00 0.22 H new ATOM 0 HA ALA A 66 2.390 -8.074 -0.680 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.645 -6.544 -2.469 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.389 -6.881 -2.591 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.247 -7.689 -3.691 1.00 0.27 H new ATOM 996 N GLU A 67 0.612 -9.933 -2.702 1.00 0.30 N ATOM 997 CA GLU A 67 -0.711 -10.502 -2.900 1.00 0.42 C ATOM 998 C GLU A 67 -0.980 -11.545 -1.826 1.00 0.39 C ATOM 999 O GLU A 67 -2.117 -11.760 -1.412 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.828 -11.112 -4.299 1.00 0.53 C ATOM 1001 CG GLU A 67 -2.219 -11.628 -4.630 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.374 -11.987 -6.095 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -1.516 -12.726 -6.625 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.363 -11.538 -6.718 1.00 1.79 O ATOM 0 H GLU A 67 1.328 -10.291 -3.334 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.459 -9.713 -2.818 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.544 -10.362 -5.037 1.00 0.53 H new ATOM 0 HB3 GLU A 67 -0.116 -11.932 -4.388 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.432 -12.506 -4.020 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.956 -10.870 -4.365 1.00 0.77 H new ATOM 1011 N ILE A 68 0.094 -12.171 -1.364 1.00 0.31 N ATOM 1012 CA ILE A 68 0.010 -13.158 -0.294 1.00 0.31 C ATOM 1013 C ILE A 68 -0.344 -12.468 1.019 1.00 0.28 C ATOM 1014 O ILE A 68 -1.110 -12.994 1.830 1.00 0.34 O ATOM 1015 CB ILE A 68 1.338 -13.950 -0.139 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.539 -14.938 -1.297 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.380 -14.713 1.179 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.465 -14.321 -2.670 1.00 0.51 C ATOM 0 H ILE A 68 1.038 -12.012 -1.715 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.772 -13.871 -0.555 1.00 0.31 H new ATOM 0 HB ILE A 68 2.143 -13.216 -0.152 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.510 -15.420 -1.182 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.784 -15.721 -1.224 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.322 -15.256 1.255 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.298 -14.011 2.009 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.550 -15.419 1.217 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.618 -15.093 -3.424 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.485 -13.865 -2.812 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.238 -13.559 -2.768 1.00 0.51 H new ATOM 1030 N ALA A 69 0.205 -11.277 1.217 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.110 -10.486 2.395 1.00 0.24 C ATOM 1032 C ALA A 69 -1.472 -9.820 2.245 1.00 0.31 C ATOM 1033 O ALA A 69 -2.117 -9.479 3.239 1.00 0.41 O ATOM 1034 CB ALA A 69 0.967 -9.445 2.639 1.00 0.24 C ATOM 0 H ALA A 69 0.869 -10.840 0.578 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.147 -11.153 3.257 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.715 -8.862 3.525 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.925 -9.942 2.792 1.00 0.24 H new ATOM 0 HB3 ALA A 69 1.035 -8.783 1.776 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.908 -9.650 0.998 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.223 -9.085 0.750 1.00 0.41 C ATOM 1042 C GLY A 70 -3.201 -7.630 0.312 1.00 0.36 C ATOM 1043 O GLY A 70 -3.884 -6.795 0.903 1.00 0.45 O ATOM 0 H GLY A 70 -1.378 -9.892 0.161 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.722 -9.677 -0.017 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.821 -9.171 1.658 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.420 -7.323 -0.716 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.403 -5.982 -1.292 1.00 0.30 C ATOM 1049 C LEU A 71 -3.128 -6.020 -2.637 1.00 0.24 C ATOM 1050 O LEU A 71 -3.095 -7.044 -3.322 1.00 0.33 O ATOM 1051 CB LEU A 71 -0.957 -5.500 -1.440 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.779 -4.004 -1.691 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.549 -3.199 -0.657 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.700 -3.647 -1.652 1.00 0.87 C ATOM 0 H LEU A 71 -1.789 -7.984 -1.169 1.00 0.33 H new ATOM 0 HA LEU A 71 -2.917 -5.277 -0.639 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.411 -5.765 -0.535 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.494 -6.045 -2.263 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.174 -3.760 -2.677 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.412 -2.135 -0.849 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.609 -3.446 -0.719 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.179 -3.438 0.340 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.821 -2.579 -1.832 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.110 -3.899 -0.674 1.00 0.87 H new ATOM 0 HD23 LEU A 71 1.230 -4.207 -2.423 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.791 -4.930 -3.020 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.772 -5.014 -4.097 1.00 0.33 C ATOM 1068 C GLN A 72 -4.622 -3.970 -5.202 1.00 0.25 C ATOM 1069 O GLN A 72 -5.626 -3.484 -5.717 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.146 -4.885 -3.501 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.393 -5.837 -2.353 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.477 -5.340 -1.428 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.513 -4.036 -1.223 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.249 -6.120 -0.868 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.671 -4.003 -2.613 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.605 -5.978 -4.577 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.288 -3.862 -3.152 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.889 -5.063 -4.278 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.672 -6.814 -2.747 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.470 -5.972 -1.790 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.187 -7.121 -1.055 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.950 -5.765 -0.218 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.396 -3.631 -5.589 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.175 -2.928 -6.848 1.00 0.26 C ATOM 1085 C ILE A 73 -3.629 -1.446 -6.836 1.00 0.23 C ATOM 1086 O ILE A 73 -3.370 -0.724 -7.792 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.888 -3.711 -7.993 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.442 -5.181 -7.982 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.610 -3.105 -9.355 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.139 -6.050 -9.013 1.00 0.77 C ATOM 0 H ILE A 73 -2.549 -3.829 -5.056 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.098 -2.895 -7.011 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.961 -3.647 -7.812 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.367 -5.224 -8.154 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.623 -5.597 -6.991 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.126 -3.682 -10.122 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.966 -2.075 -9.375 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.537 -3.122 -9.549 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.767 -7.072 -8.939 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.214 -6.041 -8.830 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.938 -5.662 -10.012 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.243 -0.962 -5.755 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.826 0.370 -5.806 1.00 0.25 C ATOM 1104 C GLY A 74 -5.224 0.872 -4.442 1.00 0.29 C ATOM 1105 O GLY A 74 -6.285 1.462 -4.271 1.00 0.37 O ATOM 0 H GLY A 74 -4.346 -1.454 -4.867 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.110 1.061 -6.250 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.701 0.357 -6.456 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.346 0.688 -3.481 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.689 0.916 -2.080 1.00 0.34 C ATOM 1111 C ASP A 75 -3.837 2.011 -1.469 1.00 0.30 C ATOM 1112 O ASP A 75 -2.646 2.112 -1.747 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.545 -0.365 -1.257 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.693 -1.329 -1.464 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.849 -0.981 -1.124 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.439 -2.448 -1.948 1.00 0.89 O ATOM 0 H ASP A 75 -3.386 0.381 -3.636 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.731 1.234 -2.059 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.610 -0.859 -1.523 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.480 -0.107 -0.200 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.459 2.814 -0.620 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.819 3.967 -0.018 1.00 0.28 C ATOM 1123 C LYS A 76 -3.068 3.563 1.250 1.00 0.28 C ATOM 1124 O LYS A 76 -3.658 3.334 2.293 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.876 5.030 0.295 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.796 5.344 -0.883 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.042 5.976 -2.046 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.964 6.312 -3.211 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.450 5.105 -3.941 1.00 2.20 N ATOM 0 H LYS A 76 -5.428 2.681 -0.329 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.094 4.381 -0.719 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.480 4.692 1.137 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.376 5.946 0.609 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.279 4.427 -1.220 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.587 6.018 -0.555 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.544 6.884 -1.705 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -4.263 5.294 -2.386 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.821 6.873 -2.838 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -5.436 6.963 -3.908 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.959 5.400 -4.799 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -5.639 4.510 -4.207 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -7.091 4.563 -3.327 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.763 3.474 1.129 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.876 3.052 2.201 1.00 0.27 C ATOM 1145 C ILE A 77 -0.701 4.136 3.257 1.00 0.25 C ATOM 1146 O ILE A 77 -0.377 5.311 2.941 1.00 0.29 O ATOM 1147 CB ILE A 77 0.499 2.714 1.629 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.372 1.634 0.563 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.479 2.297 2.719 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.220 1.910 -0.646 1.00 0.49 C ATOM 0 H ILE A 77 -1.272 3.697 0.263 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.329 2.179 2.670 1.00 0.27 H new ATOM 0 HB ILE A 77 0.902 3.615 1.168 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.657 0.673 0.990 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.671 1.551 0.259 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.445 2.065 2.270 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.597 3.112 3.433 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.097 1.415 3.234 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.090 1.108 -1.373 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.919 2.857 -1.093 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.268 1.965 -0.351 1.00 0.49 H new ATOM 1162 N MET A 78 -0.917 3.707 4.504 1.00 0.22 N ATOM 1163 CA MET A 78 -0.767 4.539 5.680 1.00 0.24 C ATOM 1164 C MET A 78 0.616 4.415 6.300 1.00 0.24 C ATOM 1165 O MET A 78 1.082 5.326 6.976 1.00 0.30 O ATOM 1166 CB MET A 78 -1.811 4.169 6.744 1.00 0.33 C ATOM 1167 CG MET A 78 -3.251 4.137 6.255 1.00 0.32 C ATOM 1168 SD MET A 78 -3.924 5.772 5.883 1.00 0.75 S ATOM 1169 CE MET A 78 -2.971 6.194 4.435 1.00 1.06 C ATOM 0 H MET A 78 -1.206 2.752 4.718 1.00 0.22 H new ATOM 0 HA MET A 78 -0.912 5.567 5.349 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.560 3.189 7.151 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.739 4.883 7.565 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.309 3.517 5.360 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.873 3.661 7.013 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.340 7.131 4.017 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.922 6.307 4.710 1.00 1.06 H new ATOM 0 HE3 MET A 78 -3.068 5.402 3.692 1.00 1.06 H new ATOM 1179 N GLN A 79 1.274 3.286 6.090 1.00 0.23 N ATOM 1180 CA GLN A 79 2.544 3.030 6.762 1.00 0.23 C ATOM 1181 C GLN A 79 3.359 1.954 6.057 1.00 0.24 C ATOM 1182 O GLN A 79 2.813 1.114 5.347 1.00 0.24 O ATOM 1183 CB GLN A 79 2.297 2.641 8.232 1.00 0.26 C ATOM 1184 CG GLN A 79 3.039 1.389 8.681 1.00 0.54 C ATOM 1185 CD GLN A 79 2.899 1.107 10.158 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.896 -0.052 10.577 1.00 0.82 O ATOM 1187 NE2 GLN A 79 2.803 2.157 10.952 1.00 0.43 N ATOM 0 H GLN A 79 0.958 2.540 5.470 1.00 0.23 H new ATOM 0 HA GLN A 79 3.126 3.951 6.726 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.593 3.473 8.871 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.228 2.489 8.381 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.666 0.533 8.118 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.096 1.495 8.437 1.00 0.54 H new ATOM 0 HE21 GLN A 79 2.810 3.097 10.557 1.00 0.43 H new ATOM 0 HE22 GLN A 79 2.722 2.028 11.961 1.00 0.43 H new ATOM 1196 N VAL A 80 4.668 1.981 6.278 1.00 0.28 N ATOM 1197 CA VAL A 80 5.559 0.958 5.760 1.00 0.35 C ATOM 1198 C VAL A 80 6.725 0.771 6.724 1.00 0.31 C ATOM 1199 O VAL A 80 7.339 1.738 7.157 1.00 0.31 O ATOM 1200 CB VAL A 80 6.085 1.295 4.343 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.010 2.496 4.372 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.782 0.091 3.733 1.00 1.31 C ATOM 0 H VAL A 80 5.136 2.709 6.818 1.00 0.28 H new ATOM 0 HA VAL A 80 4.990 0.032 5.674 1.00 0.35 H new ATOM 0 HB VAL A 80 5.229 1.551 3.718 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.363 2.708 3.363 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.471 3.361 4.757 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.862 2.283 5.017 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.145 0.346 2.737 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.623 -0.200 4.362 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.079 -0.739 3.661 1.00 1.31 H new ATOM 1212 N ASN A 81 6.974 -0.475 7.110 1.00 0.34 N ATOM 1213 CA ASN A 81 8.074 -0.818 8.018 1.00 0.38 C ATOM 1214 C ASN A 81 7.836 -0.268 9.419 1.00 0.34 C ATOM 1215 O ASN A 81 8.700 -0.384 10.282 1.00 0.40 O ATOM 1216 CB ASN A 81 9.416 -0.284 7.496 1.00 0.46 C ATOM 1217 CG ASN A 81 9.985 -1.073 6.330 1.00 0.70 C ATOM 1218 OD1 ASN A 81 11.196 -1.141 6.167 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.125 -1.656 5.507 1.00 1.18 N ATOM 0 H ASN A 81 6.423 -1.278 6.806 1.00 0.34 H new ATOM 0 HA ASN A 81 8.111 -1.906 8.064 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.288 0.754 7.190 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.139 -0.289 8.312 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.466 -2.184 4.704 1.00 1.18 H new ATOM 0 HD22 ASN A 81 8.122 -1.576 5.677 1.00 1.18 H new ATOM 1226 N GLY A 82 6.666 0.313 9.654 1.00 0.32 N ATOM 1227 CA GLY A 82 6.437 0.987 10.910 1.00 0.34 C ATOM 1228 C GLY A 82 6.538 2.490 10.757 1.00 0.31 C ATOM 1229 O GLY A 82 6.251 3.233 11.693 1.00 0.38 O ATOM 0 H GLY A 82 5.881 0.328 9.003 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.450 0.724 11.291 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.165 0.645 11.646 1.00 0.34 H new ATOM 1233 N TRP A 83 6.964 2.937 9.574 1.00 0.28 N ATOM 1234 CA TRP A 83 6.955 4.356 9.243 1.00 0.28 C ATOM 1235 C TRP A 83 5.540 4.776 8.960 1.00 0.29 C ATOM 1236 O TRP A 83 4.908 4.276 8.030 1.00 0.48 O ATOM 1237 CB TRP A 83 7.817 4.671 8.017 1.00 0.30 C ATOM 1238 CG TRP A 83 9.276 4.466 8.216 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.901 3.285 8.453 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.301 5.463 8.164 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.253 3.481 8.549 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.523 4.811 8.385 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.301 6.846 7.965 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.737 5.488 8.405 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.508 7.516 7.978 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.709 6.835 8.201 1.00 0.76 C ATOM 0 H TRP A 83 7.319 2.334 8.832 1.00 0.28 H new ATOM 0 HA TRP A 83 7.370 4.900 10.091 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.486 4.047 7.187 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.646 5.707 7.725 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.405 2.331 8.551 1.00 0.35 H new ATOM 0 HE1 TRP A 83 11.947 2.752 8.716 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.376 7.380 7.804 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.667 4.966 8.576 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.525 8.583 7.813 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.636 7.390 8.212 1.00 0.76 H new ATOM 1257 N ASP A 84 5.050 5.683 9.758 1.00 0.39 N ATOM 1258 CA ASP A 84 3.668 6.101 9.653 1.00 0.41 C ATOM 1259 C ASP A 84 3.560 7.265 8.682 1.00 0.40 C ATOM 1260 O ASP A 84 3.773 8.426 9.045 1.00 0.59 O ATOM 1261 CB ASP A 84 3.150 6.486 11.034 1.00 0.62 C ATOM 1262 CG ASP A 84 1.727 6.027 11.265 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.503 4.804 11.386 1.00 1.89 O ATOM 1264 OD2 ASP A 84 0.824 6.889 11.313 1.00 1.28 O ATOM 0 H ASP A 84 5.583 6.151 10.491 1.00 0.39 H new ATOM 0 HA ASP A 84 3.058 5.282 9.272 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.797 6.052 11.796 1.00 0.62 H new ATOM 0 HB3 ASP A 84 3.203 7.568 11.150 1.00 0.62 H new ATOM 1269 N MET A 85 3.255 6.941 7.436 1.00 0.36 N ATOM 1270 CA MET A 85 3.281 7.918 6.364 1.00 0.46 C ATOM 1271 C MET A 85 1.898 8.222 5.812 1.00 0.36 C ATOM 1272 O MET A 85 1.321 7.446 5.056 1.00 0.56 O ATOM 1273 CB MET A 85 4.221 7.462 5.253 1.00 0.76 C ATOM 1274 CG MET A 85 3.985 6.035 4.794 1.00 0.49 C ATOM 1275 SD MET A 85 5.334 5.418 3.780 1.00 1.01 S ATOM 1276 CE MET A 85 6.719 5.689 4.886 1.00 0.44 C ATOM 0 H MET A 85 2.985 6.002 7.143 1.00 0.36 H new ATOM 0 HA MET A 85 3.656 8.849 6.789 1.00 0.46 H new ATOM 0 HB2 MET A 85 4.110 8.131 4.399 1.00 0.76 H new ATOM 0 HB3 MET A 85 5.250 7.556 5.600 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.862 5.390 5.664 1.00 0.49 H new ATOM 0 HG3 MET A 85 3.055 5.986 4.228 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.537 5.021 4.616 1.00 0.44 H new ATOM 0 HE2 MET A 85 7.053 6.723 4.804 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.410 5.488 5.912 1.00 0.44 H new ATOM 1286 N THR A 86 1.382 9.365 6.189 1.00 0.31 N ATOM 1287 CA THR A 86 0.166 9.886 5.601 1.00 0.35 C ATOM 1288 C THR A 86 0.534 10.871 4.515 1.00 0.46 C ATOM 1289 O THR A 86 -0.255 11.192 3.626 1.00 1.05 O ATOM 1290 CB THR A 86 -0.683 10.601 6.661 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.103 11.594 7.331 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.199 9.617 7.680 1.00 0.37 C ATOM 0 H THR A 86 1.789 9.961 6.910 1.00 0.31 H new ATOM 0 HA THR A 86 -0.412 9.060 5.188 1.00 0.35 H new ATOM 0 HB THR A 86 -1.527 11.074 6.158 1.00 0.36 H new ATOM 0 HG1 THR A 86 -0.447 12.047 8.004 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.798 10.143 8.423 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.814 8.867 7.183 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.358 9.128 8.172 1.00 0.37 H new ATOM 1300 N MET A 87 1.759 11.349 4.625 1.00 0.56 N ATOM 1301 CA MET A 87 2.291 12.366 3.751 1.00 0.65 C ATOM 1302 C MET A 87 3.808 12.368 3.809 1.00 0.76 C ATOM 1303 O MET A 87 4.404 13.143 4.553 1.00 1.49 O ATOM 1304 CB MET A 87 1.782 13.748 4.166 1.00 0.84 C ATOM 1305 CG MET A 87 1.300 13.804 5.619 1.00 0.97 C ATOM 1306 SD MET A 87 1.750 15.327 6.464 1.00 1.36 S ATOM 1307 CE MET A 87 1.325 14.899 8.155 1.00 1.62 C ATOM 0 H MET A 87 2.419 11.034 5.336 1.00 0.56 H new ATOM 0 HA MET A 87 1.961 12.145 2.736 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.579 14.478 4.026 1.00 0.84 H new ATOM 0 HB3 MET A 87 0.964 14.039 3.507 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.216 13.693 5.639 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.717 12.958 6.165 1.00 0.97 H new ATOM 0 HE1 MET A 87 1.545 15.742 8.810 1.00 1.62 H new ATOM 0 HE2 MET A 87 0.263 14.661 8.214 1.00 1.62 H new ATOM 0 HE3 MET A 87 1.909 14.034 8.469 1.00 1.62 H new ATOM 1317 N VAL A 88 4.430 11.472 3.071 1.00 0.40 N ATOM 1318 CA VAL A 88 5.861 11.465 2.948 1.00 0.45 C ATOM 1319 C VAL A 88 6.221 11.135 1.505 1.00 0.36 C ATOM 1320 O VAL A 88 5.363 10.687 0.756 1.00 0.39 O ATOM 1321 CB VAL A 88 6.472 10.465 3.940 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.558 9.061 3.371 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.809 10.966 4.402 1.00 1.09 C ATOM 0 H VAL A 88 3.957 10.737 2.546 1.00 0.40 H new ATOM 0 HA VAL A 88 6.272 12.445 3.193 1.00 0.45 H new ATOM 0 HB VAL A 88 5.808 10.393 4.801 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.997 8.394 4.113 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.558 8.711 3.114 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.180 9.069 2.476 1.00 0.72 H new ATOM 0 HG21 VAL A 88 8.241 10.255 5.106 1.00 1.09 H new ATOM 0 HG22 VAL A 88 8.473 11.076 3.544 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.686 11.932 4.892 1.00 1.09 H new ATOM 1333 N THR A 89 7.445 11.416 1.090 1.00 0.31 N ATOM 1334 CA THR A 89 7.835 11.224 -0.290 1.00 0.28 C ATOM 1335 C THR A 89 7.689 9.766 -0.751 1.00 0.26 C ATOM 1336 O THR A 89 7.785 8.833 0.046 1.00 0.26 O ATOM 1337 CB THR A 89 9.276 11.728 -0.508 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.205 10.967 0.275 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.365 13.198 -0.116 1.00 0.35 C ATOM 0 H THR A 89 8.184 11.778 1.693 1.00 0.31 H new ATOM 0 HA THR A 89 7.152 11.811 -0.904 1.00 0.28 H new ATOM 0 HB THR A 89 9.530 11.609 -1.561 1.00 0.31 H new ATOM 0 HG1 THR A 89 11.113 11.301 0.121 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.383 13.555 -0.270 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.680 13.781 -0.731 1.00 0.35 H new ATOM 0 HG23 THR A 89 9.096 13.311 0.934 1.00 0.35 H new ATOM 1347 N HIS A 90 7.433 9.592 -2.048 1.00 0.26 N ATOM 1348 CA HIS A 90 7.289 8.265 -2.652 1.00 0.25 C ATOM 1349 C HIS A 90 8.552 7.481 -2.465 1.00 0.27 C ATOM 1350 O HIS A 90 8.536 6.275 -2.246 1.00 0.30 O ATOM 1351 CB HIS A 90 6.982 8.401 -4.137 1.00 0.25 C ATOM 1352 CG HIS A 90 6.904 7.105 -4.902 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.170 7.027 -6.250 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.550 5.845 -4.526 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.974 5.795 -6.667 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.604 5.056 -5.643 1.00 0.32 N ATOM 0 H HIS A 90 7.320 10.362 -2.707 1.00 0.26 H new ATOM 0 HA HIS A 90 6.467 7.741 -2.165 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.034 8.926 -4.248 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.749 9.027 -4.593 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.277 5.527 -3.531 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.097 5.447 -7.682 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.392 4.059 -5.676 1.00 0.32 H new ATOM 1365 N ASP A 91 9.634 8.201 -2.531 1.00 0.31 N ATOM 1366 CA ASP A 91 10.954 7.614 -2.388 1.00 0.34 C ATOM 1367 C ASP A 91 11.164 7.181 -0.959 1.00 0.32 C ATOM 1368 O ASP A 91 11.879 6.223 -0.698 1.00 0.33 O ATOM 1369 CB ASP A 91 12.053 8.577 -2.822 1.00 0.41 C ATOM 1370 CG ASP A 91 12.324 8.504 -4.310 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.594 9.164 -5.079 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.271 7.808 -4.716 1.00 1.67 O ATOM 0 H ASP A 91 9.637 9.209 -2.685 1.00 0.31 H new ATOM 0 HA ASP A 91 11.011 6.745 -3.043 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.767 9.595 -2.556 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.969 8.350 -2.276 1.00 0.41 H new ATOM 1377 N GLN A 92 10.521 7.887 -0.036 1.00 0.31 N ATOM 1378 CA GLN A 92 10.617 7.562 1.364 1.00 0.32 C ATOM 1379 C GLN A 92 10.018 6.184 1.595 1.00 0.29 C ATOM 1380 O GLN A 92 10.633 5.303 2.204 1.00 0.31 O ATOM 1381 CB GLN A 92 9.854 8.604 2.160 1.00 0.36 C ATOM 1382 CG GLN A 92 9.752 8.287 3.622 1.00 0.42 C ATOM 1383 CD GLN A 92 11.013 8.611 4.381 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.906 7.775 4.524 1.00 0.77 O ATOM 1385 NE2 GLN A 92 11.091 9.835 4.866 1.00 0.62 N ATOM 0 H GLN A 92 9.927 8.690 -0.243 1.00 0.31 H new ATOM 0 HA GLN A 92 11.659 7.555 1.683 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.343 9.571 2.040 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.850 8.701 1.747 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.921 8.845 4.053 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.522 7.229 3.744 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.324 10.491 4.720 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.919 10.126 5.387 1.00 0.62 H new ATOM 1394 N ALA A 93 8.826 5.996 1.051 1.00 0.27 N ATOM 1395 CA ALA A 93 8.124 4.740 1.188 1.00 0.28 C ATOM 1396 C ALA A 93 8.833 3.672 0.377 1.00 0.28 C ATOM 1397 O ALA A 93 8.990 2.531 0.814 1.00 0.33 O ATOM 1398 CB ALA A 93 6.686 4.896 0.724 1.00 0.33 C ATOM 0 H ALA A 93 8.327 6.702 0.510 1.00 0.27 H new ATOM 0 HA ALA A 93 8.117 4.440 2.236 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.164 3.945 0.831 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.188 5.653 1.330 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.672 5.202 -0.322 1.00 0.33 H new ATOM 1404 N ARG A 94 9.300 4.075 -0.797 1.00 0.27 N ATOM 1405 CA ARG A 94 9.923 3.158 -1.733 1.00 0.30 C ATOM 1406 C ARG A 94 11.237 2.615 -1.182 1.00 0.33 C ATOM 1407 O ARG A 94 11.511 1.419 -1.299 1.00 0.37 O ATOM 1408 CB ARG A 94 10.162 3.838 -3.082 1.00 0.34 C ATOM 1409 CG ARG A 94 10.344 2.845 -4.215 1.00 0.43 C ATOM 1410 CD ARG A 94 10.514 3.522 -5.570 1.00 0.57 C ATOM 1411 NE ARG A 94 11.575 4.531 -5.594 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.227 4.891 -6.705 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.102 4.174 -7.820 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.045 5.937 -6.691 1.00 2.10 N ATOM 0 H ARG A 94 9.257 5.041 -1.123 1.00 0.27 H new ATOM 0 HA ARG A 94 9.239 2.321 -1.878 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.320 4.491 -3.309 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.047 4.471 -3.013 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.217 2.224 -4.012 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.481 2.180 -4.252 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.730 2.762 -6.321 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.572 3.991 -5.853 1.00 0.57 H new ATOM 0 HE ARG A 94 11.831 4.984 -4.716 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.507 3.346 -7.830 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.601 4.453 -8.664 1.00 1.57 H new ATOM 0 HH21 ARG A 94 13.178 6.469 -5.831 1.00 2.10 H new ATOM 0 HH22 ARG A 94 13.540 6.208 -7.540 1.00 2.10 H new ATOM 1428 N LYS A 95 12.047 3.476 -0.565 1.00 0.33 N ATOM 1429 CA LYS A 95 13.314 3.019 -0.028 1.00 0.40 C ATOM 1430 C LYS A 95 13.070 2.091 1.144 1.00 0.42 C ATOM 1431 O LYS A 95 13.846 1.173 1.385 1.00 0.46 O ATOM 1432 CB LYS A 95 14.259 4.173 0.371 1.00 0.46 C ATOM 1433 CG LYS A 95 13.720 5.163 1.398 1.00 0.64 C ATOM 1434 CD LYS A 95 13.834 4.637 2.822 1.00 0.56 C ATOM 1435 CE LYS A 95 15.276 4.352 3.218 1.00 0.60 C ATOM 1436 NZ LYS A 95 16.084 5.602 3.331 1.00 0.96 N ATOM 0 H LYS A 95 11.850 4.468 -0.430 1.00 0.33 H new ATOM 0 HA LYS A 95 13.823 2.477 -0.825 1.00 0.40 H new ATOM 0 HB2 LYS A 95 15.180 3.741 0.763 1.00 0.46 H new ATOM 0 HB3 LYS A 95 14.524 4.725 -0.530 1.00 0.46 H new ATOM 0 HG2 LYS A 95 14.266 6.103 1.315 1.00 0.64 H new ATOM 0 HG3 LYS A 95 12.675 5.381 1.176 1.00 0.64 H new ATOM 0 HD2 LYS A 95 13.407 5.365 3.511 1.00 0.56 H new ATOM 0 HD3 LYS A 95 13.246 3.724 2.918 1.00 0.56 H new ATOM 0 HE2 LYS A 95 15.292 3.823 4.171 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.731 3.692 2.479 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 17.045 5.366 3.652 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 16.133 6.069 2.403 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 15.638 6.243 4.017 1.00 0.96 H new ATOM 1450 N ARG A 96 11.981 2.324 1.868 1.00 0.45 N ATOM 1451 CA ARG A 96 11.658 1.490 3.008 1.00 0.51 C ATOM 1452 C ARG A 96 11.298 0.080 2.574 1.00 0.57 C ATOM 1453 O ARG A 96 11.805 -0.898 3.123 1.00 0.72 O ATOM 1454 CB ARG A 96 10.523 2.091 3.839 1.00 0.55 C ATOM 1455 CG ARG A 96 10.928 3.320 4.636 1.00 0.59 C ATOM 1456 CD ARG A 96 12.265 3.124 5.337 1.00 0.72 C ATOM 1457 NE ARG A 96 12.379 1.810 5.977 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.482 1.363 6.580 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.557 2.138 6.700 1.00 1.58 N ATOM 1460 NH2 ARG A 96 13.510 0.134 7.065 1.00 3.57 N ATOM 0 H ARG A 96 11.317 3.076 1.685 1.00 0.45 H new ATOM 0 HA ARG A 96 12.550 1.443 3.633 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.700 2.356 3.175 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.147 1.332 4.525 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.989 4.181 3.970 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.159 3.543 5.376 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.071 3.243 4.613 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.394 3.903 6.089 1.00 0.72 H new ATOM 0 HE ARG A 96 11.563 1.198 5.960 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.545 3.088 6.328 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.393 1.782 7.164 1.00 1.58 H new ATOM 0 HH21 ARG A 96 12.691 -0.468 6.977 1.00 3.57 H new ATOM 0 HH22 ARG A 96 14.351 -0.213 7.527 1.00 3.57 H new ATOM 1474 N LEU A 97 10.439 -0.025 1.575 1.00 0.52 N ATOM 1475 CA LEU A 97 10.003 -1.325 1.097 1.00 0.57 C ATOM 1476 C LEU A 97 10.999 -1.925 0.104 1.00 0.64 C ATOM 1477 O LEU A 97 10.779 -3.019 -0.413 1.00 0.96 O ATOM 1478 CB LEU A 97 8.591 -1.239 0.500 1.00 0.70 C ATOM 1479 CG LEU A 97 8.354 -0.124 -0.525 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.852 -0.524 -1.903 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.879 0.239 -0.573 1.00 1.65 C ATOM 0 H LEU A 97 10.032 0.769 1.082 1.00 0.52 H new ATOM 0 HA LEU A 97 9.964 -1.999 1.953 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.361 -2.194 0.027 1.00 0.70 H new ATOM 0 HB3 LEU A 97 7.881 -1.109 1.317 1.00 0.70 H new ATOM 0 HG LEU A 97 8.922 0.751 -0.210 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.669 0.289 -2.606 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.921 -0.731 -1.858 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.324 -1.418 -2.236 1.00 1.45 H new ATOM 0 HD21 LEU A 97 6.723 1.032 -1.304 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.298 -0.638 -0.859 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.557 0.583 0.410 1.00 1.65 H new ATOM 1493 N THR A 98 12.092 -1.223 -0.165 1.00 0.54 N ATOM 1494 CA THR A 98 13.153 -1.784 -0.989 1.00 0.65 C ATOM 1495 C THR A 98 14.508 -1.665 -0.304 1.00 0.74 C ATOM 1496 O THR A 98 15.553 -1.603 -0.954 1.00 1.53 O ATOM 1497 CB THR A 98 13.216 -1.134 -2.383 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.890 -0.866 -2.854 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.920 -2.066 -3.365 1.00 1.12 C ATOM 0 H THR A 98 12.266 -0.276 0.171 1.00 0.54 H new ATOM 0 HA THR A 98 12.913 -2.839 -1.120 1.00 0.65 H new ATOM 0 HB THR A 98 13.774 -0.200 -2.309 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.604 0.017 -2.540 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.959 -1.597 -4.348 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.934 -2.263 -3.016 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.371 -3.005 -3.433 1.00 1.12 H new ATOM 1507 N LYS A 99 14.498 -1.656 1.017 1.00 0.79 N ATOM 1508 CA LYS A 99 15.728 -1.810 1.752 1.00 1.12 C ATOM 1509 C LYS A 99 16.060 -3.273 1.837 1.00 1.36 C ATOM 1510 O LYS A 99 15.296 -4.057 2.398 1.00 2.28 O ATOM 1511 CB LYS A 99 15.657 -1.196 3.145 1.00 1.29 C ATOM 1512 CG LYS A 99 16.082 0.259 3.194 1.00 1.18 C ATOM 1513 CD LYS A 99 17.408 0.502 2.474 1.00 1.56 C ATOM 1514 CE LYS A 99 17.218 0.730 0.974 1.00 1.98 C ATOM 1515 NZ LYS A 99 18.518 0.860 0.261 1.00 2.72 N ATOM 0 H LYS A 99 13.662 -1.545 1.591 1.00 0.79 H new ATOM 0 HA LYS A 99 16.513 -1.274 1.219 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.636 -1.279 3.517 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.290 -1.773 3.819 1.00 1.29 H new ATOM 0 HG2 LYS A 99 15.307 0.877 2.741 1.00 1.18 H new ATOM 0 HG3 LYS A 99 16.173 0.574 4.234 1.00 1.18 H new ATOM 0 HD2 LYS A 99 17.903 1.369 2.912 1.00 1.56 H new ATOM 0 HD3 LYS A 99 18.066 -0.353 2.629 1.00 1.56 H new ATOM 0 HE2 LYS A 99 16.653 -0.100 0.550 1.00 1.98 H new ATOM 0 HE3 LYS A 99 16.626 1.632 0.816 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 18.344 1.013 -0.753 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 19.047 1.668 0.648 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 19.073 -0.010 0.389 1.00 2.72 H new ATOM 1529 N ARG A 100 17.198 -3.640 1.280 1.00 1.04 N ATOM 1530 CA ARG A 100 17.607 -5.033 1.238 1.00 1.17 C ATOM 1531 C ARG A 100 18.131 -5.486 2.606 1.00 1.12 C ATOM 1532 O ARG A 100 18.981 -6.372 2.706 1.00 1.39 O ATOM 1533 CB ARG A 100 18.664 -5.253 0.150 1.00 1.55 C ATOM 1534 CG ARG A 100 19.954 -4.487 0.365 1.00 2.10 C ATOM 1535 CD ARG A 100 20.951 -4.778 -0.743 1.00 2.50 C ATOM 1536 NE ARG A 100 22.241 -4.145 -0.493 1.00 3.10 N ATOM 1537 CZ ARG A 100 23.157 -3.921 -1.433 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.918 -4.266 -2.694 1.00 3.60 N ATOM 1539 NH2 ARG A 100 24.311 -3.355 -1.111 1.00 4.38 N ATOM 0 H ARG A 100 17.858 -2.992 0.849 1.00 1.04 H new ATOM 0 HA ARG A 100 16.734 -5.638 0.992 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.893 -6.317 0.093 1.00 1.55 H new ATOM 0 HB3 ARG A 100 18.242 -4.966 -0.813 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.745 -3.418 0.399 1.00 2.10 H new ATOM 0 HG3 ARG A 100 20.386 -4.758 1.328 1.00 2.10 H new ATOM 0 HD2 ARG A 100 21.087 -5.856 -0.835 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.551 -4.425 -1.693 1.00 2.50 H new ATOM 0 HE ARG A 100 22.455 -3.856 0.462 1.00 3.10 H new ATOM 0 HH11 ARG A 100 22.031 -4.704 -2.944 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.621 -4.093 -3.412 1.00 3.60 H new ATOM 0 HH21 ARG A 100 24.497 -3.091 -0.143 1.00 4.38 H new ATOM 0 HH22 ARG A 100 25.013 -3.183 -1.831 1.00 4.38 H new ATOM 1553 N SER A 101 17.582 -4.886 3.654 1.00 1.05 N ATOM 1554 CA SER A 101 17.992 -5.166 5.018 1.00 1.37 C ATOM 1555 C SER A 101 16.782 -5.611 5.833 1.00 1.22 C ATOM 1556 O SER A 101 16.906 -6.397 6.773 1.00 1.64 O ATOM 1557 CB SER A 101 18.635 -3.920 5.643 1.00 1.90 C ATOM 1558 OG SER A 101 19.075 -4.168 6.966 1.00 2.51 O ATOM 0 H SER A 101 16.839 -4.191 3.579 1.00 1.05 H new ATOM 0 HA SER A 101 18.731 -5.968 5.016 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.479 -3.600 5.032 1.00 1.90 H new ATOM 0 HB3 SER A 101 17.916 -3.101 5.646 1.00 1.90 H new ATOM 0 HG SER A 101 19.481 -3.355 7.334 1.00 2.51 H new ATOM 1564 N GLU A 102 15.610 -5.098 5.466 1.00 1.06 N ATOM 1565 CA GLU A 102 14.367 -5.497 6.103 1.00 1.19 C ATOM 1566 C GLU A 102 13.898 -6.833 5.540 1.00 0.93 C ATOM 1567 O GLU A 102 13.390 -6.904 4.422 1.00 1.34 O ATOM 1568 CB GLU A 102 13.290 -4.434 5.885 1.00 1.63 C ATOM 1569 CG GLU A 102 13.632 -3.084 6.492 1.00 2.12 C ATOM 1570 CD GLU A 102 13.685 -3.113 8.005 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.027 -3.985 8.608 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.392 -2.272 8.600 1.00 2.95 O ATOM 0 H GLU A 102 15.500 -4.403 4.728 1.00 1.06 H new ATOM 0 HA GLU A 102 14.543 -5.602 7.174 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.126 -4.310 4.815 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.352 -4.787 6.312 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.596 -2.752 6.106 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.891 -2.350 6.174 1.00 2.12 H new ATOM 1579 N GLU A 103 14.089 -7.889 6.317 1.00 0.74 N ATOM 1580 CA GLU A 103 13.686 -9.231 5.905 1.00 0.68 C ATOM 1581 C GLU A 103 12.169 -9.388 5.927 1.00 0.54 C ATOM 1582 O GLU A 103 11.623 -10.342 5.381 1.00 0.61 O ATOM 1583 CB GLU A 103 14.308 -10.274 6.827 1.00 0.95 C ATOM 1584 CG GLU A 103 14.001 -10.044 8.294 1.00 1.37 C ATOM 1585 CD GLU A 103 14.368 -11.240 9.141 1.00 2.16 C ATOM 1586 OE1 GLU A 103 15.570 -11.418 9.431 1.00 2.58 O ATOM 1587 OE2 GLU A 103 13.458 -12.011 9.506 1.00 2.68 O ATOM 0 H GLU A 103 14.522 -7.845 7.240 1.00 0.74 H new ATOM 0 HA GLU A 103 14.038 -9.380 4.884 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.949 -11.262 6.539 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.389 -10.274 6.686 1.00 0.95 H new ATOM 0 HG2 GLU A 103 14.547 -9.169 8.646 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.939 -9.827 8.413 1.00 1.37 H new ATOM 1594 N VAL A 104 11.500 -8.454 6.572 1.00 0.40 N ATOM 1595 CA VAL A 104 10.064 -8.507 6.711 1.00 0.33 C ATOM 1596 C VAL A 104 9.485 -7.125 6.495 1.00 0.29 C ATOM 1597 O VAL A 104 9.993 -6.130 7.011 1.00 0.34 O ATOM 1598 CB VAL A 104 9.648 -9.070 8.088 1.00 0.38 C ATOM 1599 CG1 VAL A 104 10.295 -8.289 9.220 1.00 0.44 C ATOM 1600 CG2 VAL A 104 8.132 -9.098 8.230 1.00 0.37 C ATOM 0 H VAL A 104 11.936 -7.643 7.011 1.00 0.40 H new ATOM 0 HA VAL A 104 9.667 -9.185 5.955 1.00 0.33 H new ATOM 0 HB VAL A 104 10.007 -10.097 8.152 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.983 -8.709 10.176 1.00 0.44 H new ATOM 0 HG12 VAL A 104 11.380 -8.352 9.132 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.987 -7.245 9.164 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.866 -9.499 9.208 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.739 -8.086 8.133 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.705 -9.730 7.451 1.00 0.37 H new ATOM 1610 N VAL A 105 8.428 -7.063 5.721 1.00 0.28 N ATOM 1611 CA VAL A 105 7.878 -5.799 5.321 1.00 0.28 C ATOM 1612 C VAL A 105 6.497 -5.591 5.874 1.00 0.26 C ATOM 1613 O VAL A 105 5.586 -6.394 5.688 1.00 0.26 O ATOM 1614 CB VAL A 105 7.882 -5.625 3.801 1.00 0.31 C ATOM 1615 CG1 VAL A 105 6.653 -4.884 3.325 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.119 -4.869 3.407 1.00 0.46 C ATOM 0 H VAL A 105 7.934 -7.878 5.357 1.00 0.28 H new ATOM 0 HA VAL A 105 8.528 -5.033 5.744 1.00 0.28 H new ATOM 0 HB VAL A 105 7.873 -6.610 3.335 1.00 0.31 H new ATOM 0 HG11 VAL A 105 6.689 -4.778 2.241 1.00 0.34 H new ATOM 0 HG12 VAL A 105 5.760 -5.442 3.606 1.00 0.34 H new ATOM 0 HG13 VAL A 105 6.623 -3.896 3.785 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.136 -4.737 2.325 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.118 -3.893 3.892 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.002 -5.428 3.718 1.00 0.46 H new ATOM 1626 N ARG A 106 6.392 -4.516 6.600 1.00 0.29 N ATOM 1627 CA ARG A 106 5.159 -4.099 7.186 1.00 0.28 C ATOM 1628 C ARG A 106 4.546 -3.009 6.340 1.00 0.26 C ATOM 1629 O ARG A 106 5.202 -2.026 6.025 1.00 0.32 O ATOM 1630 CB ARG A 106 5.425 -3.610 8.590 1.00 0.35 C ATOM 1631 CG ARG A 106 6.184 -4.618 9.433 1.00 0.43 C ATOM 1632 CD ARG A 106 7.677 -4.583 9.121 1.00 0.54 C ATOM 1633 NE ARG A 106 8.503 -4.492 10.324 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.833 -4.354 10.300 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.492 -4.454 9.150 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.507 -4.156 11.427 1.00 1.46 N ATOM 0 H ARG A 106 7.176 -3.896 6.803 1.00 0.29 H new ATOM 0 HA ARG A 106 4.458 -4.932 7.232 1.00 0.28 H new ATOM 0 HB2 ARG A 106 5.993 -2.681 8.544 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.476 -3.380 9.075 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.025 -4.405 10.490 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.794 -5.619 9.247 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.949 -5.481 8.566 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.889 -3.731 8.474 1.00 0.54 H new ATOM 0 HE ARG A 106 8.039 -4.536 11.231 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.983 -4.636 8.285 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.506 -4.349 9.133 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.010 -4.109 12.317 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.521 -4.051 11.403 1.00 1.46 H new ATOM 1650 N LEU A 107 3.318 -3.193 5.958 1.00 0.24 N ATOM 1651 CA LEU A 107 2.628 -2.229 5.117 1.00 0.24 C ATOM 1652 C LEU A 107 1.241 -1.970 5.675 1.00 0.21 C ATOM 1653 O LEU A 107 0.485 -2.903 5.914 1.00 0.28 O ATOM 1654 CB LEU A 107 2.568 -2.751 3.673 1.00 0.37 C ATOM 1655 CG LEU A 107 1.918 -1.823 2.640 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.528 -2.058 1.267 1.00 0.98 C ATOM 1657 CD2 LEU A 107 0.411 -2.048 2.583 1.00 1.12 C ATOM 0 H LEU A 107 2.758 -4.007 6.212 1.00 0.24 H new ATOM 0 HA LEU A 107 3.171 -1.284 5.109 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.585 -2.968 3.346 1.00 0.37 H new ATOM 0 HB3 LEU A 107 2.025 -3.696 3.673 1.00 0.37 H new ATOM 0 HG LEU A 107 2.103 -0.792 2.943 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.059 -1.393 0.542 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.598 -1.856 1.305 1.00 0.98 H new ATOM 0 HD13 LEU A 107 2.365 -3.094 0.969 1.00 0.98 H new ATOM 0 HD21 LEU A 107 -0.029 -1.379 1.844 1.00 1.12 H new ATOM 0 HD22 LEU A 107 0.208 -3.082 2.303 1.00 1.12 H new ATOM 0 HD23 LEU A 107 -0.025 -1.844 3.561 1.00 1.12 H new ATOM 1669 N LEU A 108 0.899 -0.718 5.895 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.406 -0.393 6.391 1.00 0.15 C ATOM 1671 C LEU A 108 -1.164 0.232 5.256 1.00 0.15 C ATOM 1672 O LEU A 108 -0.735 1.237 4.729 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.278 0.568 7.570 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.579 1.062 8.188 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.458 -0.115 8.587 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.262 1.924 9.400 1.00 0.26 C ATOM 0 H LEU A 108 1.510 0.083 5.736 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.934 -1.277 6.747 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.305 0.077 8.349 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.295 1.435 7.243 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.124 1.657 7.455 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.384 0.255 9.027 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.689 -0.712 7.705 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.931 -0.732 9.315 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.191 2.280 9.846 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.711 1.334 10.132 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.657 2.777 9.092 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.241 -0.377 4.827 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.952 0.148 3.687 1.00 0.21 C ATOM 1690 C VAL A 109 -4.387 0.410 4.044 1.00 0.22 C ATOM 1691 O VAL A 109 -4.974 -0.263 4.888 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.863 -0.807 2.473 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.209 -1.362 2.079 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.231 -0.135 1.285 1.00 0.77 C ATOM 0 H VAL A 109 -2.639 -1.220 5.240 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.480 1.089 3.403 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.232 -1.637 2.791 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.092 -2.026 1.223 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.632 -1.919 2.915 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.877 -0.542 1.814 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.185 -0.836 0.452 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.826 0.732 0.998 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.222 0.187 1.543 1.00 0.77 H new ATOM 1704 N THR A 110 -4.944 1.400 3.409 1.00 0.22 N ATOM 1705 CA THR A 110 -6.359 1.597 3.511 1.00 0.25 C ATOM 1706 C THR A 110 -7.044 0.945 2.328 1.00 0.26 C ATOM 1707 O THR A 110 -6.838 1.322 1.175 1.00 0.30 O ATOM 1708 CB THR A 110 -6.748 3.065 3.563 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.619 3.881 3.880 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.813 3.280 4.605 1.00 0.33 C ATOM 0 H THR A 110 -4.449 2.073 2.824 1.00 0.22 H new ATOM 0 HA THR A 110 -6.679 1.141 4.448 1.00 0.25 H new ATOM 0 HB THR A 110 -7.126 3.347 2.580 1.00 0.30 H new ATOM 0 HG1 THR A 110 -5.026 3.936 3.102 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.085 4.335 4.635 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.692 2.685 4.355 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.434 2.975 5.581 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.863 -0.027 2.659 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.509 -0.908 1.713 1.00 0.37 C ATOM 1720 C ARG A 111 -9.862 -0.326 1.328 1.00 0.42 C ATOM 1721 O ARG A 111 -10.749 -0.215 2.176 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.684 -2.247 2.426 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.059 -3.414 1.549 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.176 -4.675 2.385 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.512 -4.850 2.958 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.741 -5.194 4.224 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -9.731 -5.336 5.078 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.984 -5.403 4.638 1.00 2.01 N ATOM 0 H ARG A 111 -8.106 -0.233 3.628 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.925 -1.029 0.801 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.753 -2.488 2.940 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -9.451 -2.132 3.192 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.005 -3.212 1.046 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -8.307 -3.552 0.772 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.934 -5.540 1.767 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.441 -4.642 3.190 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.317 -4.699 2.350 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.773 -5.181 4.765 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -9.915 -5.600 6.046 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.762 -5.300 3.987 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.161 -5.667 5.607 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.038 0.057 0.073 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.242 0.792 -0.280 1.00 0.71 C ATOM 1744 C GLN A 112 -12.216 -0.012 -1.137 1.00 0.89 C ATOM 1745 O GLN A 112 -13.369 -0.180 -0.755 1.00 1.36 O ATOM 1746 CB GLN A 112 -10.919 2.164 -0.898 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.276 2.158 -2.276 1.00 0.71 C ATOM 1748 CD GLN A 112 -8.767 2.354 -2.268 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -8.218 2.985 -3.170 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.082 1.839 -1.259 1.00 0.66 N ATOM 0 H GLN A 112 -9.389 -0.120 -0.693 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.763 0.976 0.659 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -11.844 2.737 -0.957 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.257 2.697 -0.216 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.504 1.211 -2.766 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.729 2.946 -2.878 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.566 1.321 -0.526 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.070 1.961 -1.215 1.00 0.66 H new ATOM 1759 N SER A 113 -11.775 -0.538 -2.262 1.00 0.79 N ATOM 1760 CA SER A 113 -12.712 -1.181 -3.177 1.00 0.96 C ATOM 1761 C SER A 113 -12.020 -2.191 -4.085 1.00 0.89 C ATOM 1762 O SER A 113 -12.603 -2.665 -5.056 1.00 1.18 O ATOM 1763 CB SER A 113 -13.423 -0.103 -4.005 1.00 1.25 C ATOM 1764 OG SER A 113 -14.411 -0.664 -4.859 1.00 1.62 O ATOM 0 H SER A 113 -10.801 -0.537 -2.565 1.00 0.79 H new ATOM 0 HA SER A 113 -13.443 -1.737 -2.590 1.00 0.96 H new ATOM 0 HB2 SER A 113 -13.888 0.622 -3.337 1.00 1.25 H new ATOM 0 HB3 SER A 113 -12.690 0.439 -4.603 1.00 1.25 H new ATOM 0 HG SER A 113 -14.085 -1.514 -5.222 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.795 -2.552 -3.748 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.022 -3.468 -4.582 1.00 0.94 C ATOM 1772 C LEU A 114 -9.977 -4.848 -3.948 1.00 1.13 C ATOM 1773 O LEU A 114 -9.126 -5.674 -4.263 1.00 1.65 O ATOM 1774 CB LEU A 114 -8.606 -2.928 -4.799 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.532 -1.531 -5.420 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.605 -1.366 -6.481 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -8.663 -0.460 -4.353 1.00 1.23 C ATOM 0 H LEU A 114 -10.312 -2.230 -2.909 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.510 -3.550 -5.553 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.090 -2.910 -3.839 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.063 -3.623 -5.440 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.557 -1.417 -5.895 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.539 -0.367 -6.913 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.460 -2.110 -7.264 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.588 -1.502 -6.029 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -8.608 0.525 -4.817 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.621 -0.568 -3.845 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -7.854 -0.566 -3.630 1.00 1.23 H new ATOM 1789 N GLN A 115 -10.941 -5.090 -3.082 1.00 1.02 N ATOM 1790 CA GLN A 115 -10.991 -6.301 -2.288 1.00 1.26 C ATOM 1791 C GLN A 115 -11.285 -7.516 -3.163 1.00 1.27 C ATOM 1792 O GLN A 115 -12.430 -7.759 -3.550 1.00 1.34 O ATOM 1793 CB GLN A 115 -12.046 -6.123 -1.205 1.00 1.55 C ATOM 1794 CG GLN A 115 -11.826 -4.858 -0.395 1.00 2.26 C ATOM 1795 CD GLN A 115 -13.040 -4.451 0.404 1.00 2.88 C ATOM 1796 OE1 GLN A 115 -13.207 -4.868 1.547 1.00 3.53 O ATOM 1797 NE2 GLN A 115 -13.880 -3.616 -0.188 1.00 3.18 N ATOM 0 H GLN A 115 -11.715 -4.449 -2.909 1.00 1.02 H new ATOM 0 HA GLN A 115 -10.022 -6.479 -1.821 1.00 1.26 H new ATOM 0 HB2 GLN A 115 -13.034 -6.092 -1.664 1.00 1.55 H new ATOM 0 HB3 GLN A 115 -12.031 -6.986 -0.540 1.00 1.55 H new ATOM 0 HG2 GLN A 115 -10.986 -5.009 0.283 1.00 2.26 H new ATOM 0 HG3 GLN A 115 -11.551 -4.045 -1.068 1.00 2.26 H new ATOM 0 HE21 GLN A 115 -13.697 -3.298 -1.140 1.00 3.18 H new ATOM 0 HE22 GLN A 115 -14.710 -3.291 0.308 1.00 3.18 H new ATOM 1806 N LYS A 116 -10.237 -8.266 -3.472 1.00 1.61 N ATOM 1807 CA LYS A 116 -10.341 -9.406 -4.381 1.00 1.82 C ATOM 1808 C LYS A 116 -10.164 -10.718 -3.638 1.00 2.23 C ATOM 1809 O LYS A 116 -10.706 -11.750 -4.022 1.00 2.85 O ATOM 1810 CB LYS A 116 -9.288 -9.293 -5.492 1.00 2.03 C ATOM 1811 CG LYS A 116 -9.373 -10.393 -6.542 1.00 2.25 C ATOM 1812 CD LYS A 116 -8.173 -10.380 -7.483 1.00 2.52 C ATOM 1813 CE LYS A 116 -6.881 -10.725 -6.752 1.00 3.01 C ATOM 1814 NZ LYS A 116 -5.727 -10.867 -7.682 1.00 3.60 N ATOM 0 H LYS A 116 -9.298 -8.107 -3.106 1.00 1.61 H new ATOM 0 HA LYS A 116 -11.337 -9.394 -4.823 1.00 1.82 H new ATOM 0 HB2 LYS A 116 -9.396 -8.326 -5.984 1.00 2.03 H new ATOM 0 HB3 LYS A 116 -8.296 -9.312 -5.041 1.00 2.03 H new ATOM 0 HG2 LYS A 116 -9.435 -11.362 -6.047 1.00 2.25 H new ATOM 0 HG3 LYS A 116 -10.289 -10.272 -7.121 1.00 2.25 H new ATOM 0 HD2 LYS A 116 -8.336 -11.093 -8.291 1.00 2.52 H new ATOM 0 HD3 LYS A 116 -8.080 -9.395 -7.941 1.00 2.52 H new ATOM 0 HE2 LYS A 116 -6.662 -9.948 -6.020 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -7.016 -11.655 -6.199 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -4.839 -10.763 -7.151 1.00 3.60 H new ATOM 0 HZ2 LYS A 116 -5.755 -11.805 -8.129 1.00 3.60 H new ATOM 0 HZ3 LYS A 116 -5.780 -10.132 -8.416 1.00 3.60 H new ATOM 1828 N ALA A 117 -9.410 -10.661 -2.568 1.00 2.34 N ATOM 1829 CA ALA A 117 -9.092 -11.851 -1.789 1.00 2.83 C ATOM 1830 C ALA A 117 -9.574 -11.691 -0.360 1.00 3.08 C ATOM 1831 O ALA A 117 -9.131 -12.393 0.546 1.00 3.56 O ATOM 1832 CB ALA A 117 -7.598 -12.115 -1.825 1.00 3.37 C ATOM 0 H ALA A 117 -8.998 -9.800 -2.208 1.00 2.34 H new ATOM 0 HA ALA A 117 -9.605 -12.707 -2.228 1.00 2.83 H new ATOM 0 HB1 ALA A 117 -7.372 -13.006 -1.240 1.00 3.37 H new ATOM 0 HB2 ALA A 117 -7.280 -12.268 -2.856 1.00 3.37 H new ATOM 0 HB3 ALA A 117 -7.067 -11.261 -1.405 1.00 3.37 H new ATOM 1838 N VAL A 118 -10.503 -10.769 -0.179 1.00 3.17 N ATOM 1839 CA VAL A 118 -11.023 -10.456 1.138 1.00 3.87 C ATOM 1840 C VAL A 118 -12.356 -11.146 1.371 1.00 4.45 C ATOM 1841 O VAL A 118 -12.457 -12.096 2.141 1.00 4.99 O ATOM 1842 CB VAL A 118 -11.186 -8.932 1.309 1.00 4.04 C ATOM 1843 CG1 VAL A 118 -11.805 -8.598 2.658 1.00 4.19 C ATOM 1844 CG2 VAL A 118 -9.846 -8.237 1.152 1.00 4.70 C ATOM 0 H VAL A 118 -10.915 -10.221 -0.934 1.00 3.17 H new ATOM 0 HA VAL A 118 -10.308 -10.820 1.875 1.00 3.87 H new ATOM 0 HB VAL A 118 -11.859 -8.572 0.531 1.00 4.04 H new ATOM 0 HG11 VAL A 118 -11.909 -7.517 2.753 1.00 4.19 H new ATOM 0 HG12 VAL A 118 -12.787 -9.065 2.733 1.00 4.19 H new ATOM 0 HG13 VAL A 118 -11.163 -8.972 3.456 1.00 4.19 H new ATOM 0 HG21 VAL A 118 -9.977 -7.162 1.275 1.00 4.70 H new ATOM 0 HG22 VAL A 118 -9.153 -8.607 1.908 1.00 4.70 H new ATOM 0 HG23 VAL A 118 -9.444 -8.442 0.160 1.00 4.70 H new ATOM 1854 N GLN A 119 -13.368 -10.663 0.683 1.00 4.69 N ATOM 1855 CA GLN A 119 -14.715 -11.194 0.827 1.00 5.46 C ATOM 1856 C GLN A 119 -14.943 -12.359 -0.131 1.00 5.68 C ATOM 1857 O GLN A 119 -15.212 -13.482 0.299 1.00 6.25 O ATOM 1858 CB GLN A 119 -15.752 -10.097 0.575 1.00 6.13 C ATOM 1859 CG GLN A 119 -15.742 -8.989 1.618 1.00 6.63 C ATOM 1860 CD GLN A 119 -16.752 -7.897 1.313 1.00 7.30 C ATOM 1861 OE1 GLN A 119 -17.785 -8.149 0.689 1.00 7.63 O ATOM 1862 NE2 GLN A 119 -16.469 -6.682 1.759 1.00 7.77 N ATOM 0 H GLN A 119 -13.287 -9.898 0.013 1.00 4.69 H new ATOM 0 HA GLN A 119 -14.828 -11.558 1.848 1.00 5.46 H new ATOM 0 HB2 GLN A 119 -15.573 -9.660 -0.407 1.00 6.13 H new ATOM 0 HB3 GLN A 119 -16.744 -10.548 0.547 1.00 6.13 H new ATOM 0 HG2 GLN A 119 -15.956 -9.415 2.598 1.00 6.63 H new ATOM 0 HG3 GLN A 119 -14.744 -8.553 1.671 1.00 6.63 H new ATOM 0 HE21 GLN A 119 -15.603 -6.516 2.271 1.00 7.77 H new ATOM 0 HE22 GLN A 119 -17.117 -5.913 1.590 1.00 7.77 H new ATOM 1871 N GLN A 120 -14.816 -12.077 -1.428 1.00 5.58 N ATOM 1872 CA GLN A 120 -15.039 -13.071 -2.480 1.00 6.13 C ATOM 1873 C GLN A 120 -16.464 -13.614 -2.427 1.00 6.54 C ATOM 1874 O GLN A 120 -16.736 -14.640 -1.799 1.00 6.55 O ATOM 1875 CB GLN A 120 -14.031 -14.222 -2.384 1.00 6.11 C ATOM 1876 CG GLN A 120 -12.584 -13.783 -2.535 1.00 5.63 C ATOM 1877 CD GLN A 120 -11.620 -14.950 -2.577 1.00 5.87 C ATOM 1878 OE1 GLN A 120 -11.861 -16.000 -1.979 1.00 6.60 O ATOM 1879 NE2 GLN A 120 -10.525 -14.780 -3.302 1.00 5.58 N ATOM 0 H GLN A 120 -14.556 -11.155 -1.779 1.00 5.58 H new ATOM 0 HA GLN A 120 -14.893 -12.569 -3.437 1.00 6.13 H new ATOM 0 HB2 GLN A 120 -14.152 -14.719 -1.422 1.00 6.11 H new ATOM 0 HB3 GLN A 120 -14.260 -14.959 -3.154 1.00 6.11 H new ATOM 0 HG2 GLN A 120 -12.480 -13.198 -3.449 1.00 5.63 H new ATOM 0 HG3 GLN A 120 -12.319 -13.128 -1.705 1.00 5.63 H new ATOM 0 HE21 GLN A 120 -10.363 -13.894 -3.782 1.00 5.58 H new ATOM 0 HE22 GLN A 120 -9.843 -15.535 -3.381 1.00 5.58 H new ATOM 1888 N SER A 121 -17.376 -12.911 -3.069 1.00 7.13 N ATOM 1889 CA SER A 121 -18.764 -13.313 -3.083 1.00 7.72 C ATOM 1890 C SER A 121 -19.028 -14.205 -4.291 1.00 8.45 C ATOM 1891 O SER A 121 -19.179 -13.725 -5.415 1.00 8.94 O ATOM 1892 CB SER A 121 -19.671 -12.081 -3.108 1.00 8.20 C ATOM 1893 OG SER A 121 -21.011 -12.420 -2.802 1.00 8.19 O ATOM 0 H SER A 121 -17.177 -12.056 -3.589 1.00 7.13 H new ATOM 0 HA SER A 121 -18.985 -13.878 -2.177 1.00 7.72 H new ATOM 0 HB2 SER A 121 -19.307 -11.345 -2.391 1.00 8.20 H new ATOM 0 HB3 SER A 121 -19.628 -11.615 -4.093 1.00 8.20 H new ATOM 0 HG SER A 121 -21.566 -11.613 -2.824 1.00 8.19 H new ATOM 1899 N MET A 122 -19.025 -15.507 -4.053 1.00 8.75 N ATOM 1900 CA MET A 122 -19.287 -16.480 -5.102 1.00 9.65 C ATOM 1901 C MET A 122 -20.782 -16.742 -5.201 1.00 10.25 C ATOM 1902 O MET A 122 -21.384 -17.300 -4.280 1.00 10.41 O ATOM 1903 CB MET A 122 -18.537 -17.785 -4.814 1.00 10.15 C ATOM 1904 CG MET A 122 -18.718 -18.858 -5.877 1.00 10.49 C ATOM 1905 SD MET A 122 -18.077 -18.359 -7.484 1.00 11.41 S ATOM 1906 CE MET A 122 -18.317 -19.866 -8.428 1.00 12.10 C ATOM 0 H MET A 122 -18.843 -15.916 -3.137 1.00 8.75 H new ATOM 0 HA MET A 122 -18.934 -16.080 -6.053 1.00 9.65 H new ATOM 0 HB2 MET A 122 -17.474 -17.565 -4.714 1.00 10.15 H new ATOM 0 HB3 MET A 122 -18.873 -18.180 -3.855 1.00 10.15 H new ATOM 0 HG2 MET A 122 -18.214 -19.770 -5.557 1.00 10.49 H new ATOM 0 HG3 MET A 122 -19.778 -19.096 -5.971 1.00 10.49 H new ATOM 0 HE1 MET A 122 -17.967 -19.715 -9.449 1.00 12.10 H new ATOM 0 HE2 MET A 122 -17.754 -20.678 -7.967 1.00 12.10 H new ATOM 0 HE3 MET A 122 -19.376 -20.122 -8.442 1.00 12.10 H new ATOM 1916 N LEU A 123 -21.377 -16.321 -6.309 1.00 10.78 N ATOM 1917 CA LEU A 123 -22.807 -16.500 -6.527 1.00 11.56 C ATOM 1918 C LEU A 123 -23.135 -17.968 -6.761 1.00 12.24 C ATOM 1919 O LEU A 123 -22.813 -18.521 -7.815 1.00 12.56 O ATOM 1920 CB LEU A 123 -23.284 -15.672 -7.723 1.00 11.96 C ATOM 1921 CG LEU A 123 -23.097 -14.162 -7.586 1.00 12.24 C ATOM 1922 CD1 LEU A 123 -23.521 -13.461 -8.864 1.00 12.82 C ATOM 1923 CD2 LEU A 123 -23.888 -13.632 -6.400 1.00 12.37 C ATOM 0 H LEU A 123 -20.890 -15.852 -7.073 1.00 10.78 H new ATOM 0 HA LEU A 123 -23.325 -16.157 -5.631 1.00 11.56 H new ATOM 0 HB2 LEU A 123 -22.752 -16.008 -8.613 1.00 11.96 H new ATOM 0 HB3 LEU A 123 -24.342 -15.877 -7.888 1.00 11.96 H new ATOM 0 HG LEU A 123 -22.041 -13.958 -7.412 1.00 12.24 H new ATOM 0 HD11 LEU A 123 -23.382 -12.386 -8.752 1.00 12.82 H new ATOM 0 HD12 LEU A 123 -22.914 -13.821 -9.695 1.00 12.82 H new ATOM 0 HD13 LEU A 123 -24.571 -13.673 -9.064 1.00 12.82 H new ATOM 0 HD21 LEU A 123 -23.743 -12.555 -6.318 1.00 12.37 H new ATOM 0 HD22 LEU A 123 -24.947 -13.845 -6.544 1.00 12.37 H new ATOM 0 HD23 LEU A 123 -23.542 -14.115 -5.486 1.00 12.37 H new ATOM 1935 N SER A 124 -23.760 -18.590 -5.771 1.00 12.64 N ATOM 1936 CA SER A 124 -24.169 -19.980 -5.865 1.00 13.47 C ATOM 1937 C SER A 124 -25.211 -20.281 -4.795 1.00 14.22 C ATOM 1938 O SER A 124 -24.822 -20.414 -3.611 1.00 14.64 O ATOM 1939 CB SER A 124 -22.954 -20.909 -5.725 1.00 13.50 C ATOM 1940 OG SER A 124 -22.265 -20.683 -4.500 1.00 13.01 O ATOM 1941 OXT SER A 124 -26.409 -20.349 -5.133 1.00 14.49 O ATOM 0 H SER A 124 -23.996 -18.145 -4.884 1.00 12.64 H new ATOM 0 HA SER A 124 -24.613 -20.157 -6.845 1.00 13.47 H new ATOM 0 HB2 SER A 124 -23.281 -21.948 -5.774 1.00 13.50 H new ATOM 0 HB3 SER A 124 -22.274 -20.749 -6.562 1.00 13.50 H new ATOM 0 HG SER A 124 -22.915 -20.577 -3.774 1.00 13.01 H new TER 1947 SER A 124