USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 969 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 40 THR OG1 : rot 180:sc= 0.611 USER MOD Set 1.2: A 105 SER OG : rot 111:sc= 0.963 USER MOD Set 2.1: A 21 THR OG1 : rot 162:sc= 1.2 USER MOD Set 2.2: A 29 CYS SG : rot 170:sc= 0.847 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0999) USER MOD Single : A 3 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.38) USER MOD Single : A 5 GLN : amide:sc= -0.285 K(o=-0.28,f=-0.8) USER MOD Single : A 6 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.0081) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 15 CYS SG : rot 161:sc= -1.81! USER MOD Single : A 16 CYS SG : rot -117:sc= 0.344 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 31 THR OG1 : rot -36:sc= 0.406 USER MOD Single : A 34 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 42 CYS SG : rot 158:sc= -3.13! USER MOD Single : A 45 MET CE :methyl 149:sc= -3.09! (180deg=-3.51!) USER MOD Single : A 46 THR OG1 : rot -140:sc= -0.307 USER MOD Single : A 53 SER OG : rot 76:sc= 0.532 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 61 MET CE :methyl -131:sc= -0.984 (180deg=-5.62!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= 0.57 (180deg=0.0847) USER MOD Single : A 79 CYS SG : rot -39:sc= -0.169 USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00449 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -2.39! C(o=-2.4!,f=-7.3!) USER MOD Single : A 93 MET CE :methyl -110:sc= -0.55 (180deg=-1.24) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 124:sc= 0.297 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Single : A 118 HIS : no HD1:sc=-0.00993 K(o=-0.0099,f=-0.99) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 128 HIS : no HD1:sc= 0.24 K(o=0.24,f=-1) USER MOD Single : A 129 HIS : no HE2:sc= 0.0946 K(o=0.095,f=-0.41) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.340 6.399 2.088 1.00 0.00 N ATOM 2 CA MET A 1 -25.904 6.114 2.342 1.00 0.00 C ATOM 3 C MET A 1 -25.051 6.570 1.134 1.00 0.00 C ATOM 4 O MET A 1 -25.241 6.070 0.018 1.00 0.00 O ATOM 5 CB MET A 1 -25.687 4.600 2.609 1.00 0.00 C ATOM 6 CG MET A 1 -26.513 4.005 3.757 1.00 0.00 C ATOM 7 SD MET A 1 -26.180 2.243 3.987 1.00 0.00 S ATOM 8 CE MET A 1 -27.354 1.817 5.273 1.00 0.00 C ATOM 0 H1 MET A 1 -27.891 6.200 2.948 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.455 7.399 1.827 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.681 5.797 1.311 1.00 0.00 H new ATOM 0 HA MET A 1 -25.591 6.669 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.919 4.051 1.696 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.631 4.434 2.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.289 4.540 4.680 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.574 4.150 3.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.260 0.758 5.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.151 2.412 6.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.366 2.021 4.924 1.00 0.00 H new ATOM 20 N GLY A 2 -24.135 7.533 1.358 1.00 0.00 N ATOM 21 CA GLY A 2 -23.227 8.021 0.302 1.00 0.00 C ATOM 22 C GLY A 2 -22.043 7.076 0.041 1.00 0.00 C ATOM 23 O GLY A 2 -20.897 7.405 0.357 1.00 0.00 O ATOM 0 H GLY A 2 -24.005 7.988 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.791 8.151 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.846 9.002 0.584 1.00 0.00 H new ATOM 27 N GLN A 3 -22.340 5.895 -0.539 1.00 0.00 N ATOM 28 CA GLN A 3 -21.340 4.834 -0.822 1.00 0.00 C ATOM 29 C GLN A 3 -21.823 3.924 -1.984 1.00 0.00 C ATOM 30 O GLN A 3 -23.035 3.771 -2.190 1.00 0.00 O ATOM 31 CB GLN A 3 -21.077 3.991 0.458 1.00 0.00 C ATOM 32 CG GLN A 3 -22.305 3.230 1.006 1.00 0.00 C ATOM 33 CD GLN A 3 -22.017 2.421 2.279 1.00 0.00 C ATOM 34 OE1 GLN A 3 -20.897 1.971 2.511 1.00 0.00 O ATOM 35 NE2 GLN A 3 -23.027 2.208 3.104 1.00 0.00 N ATOM 0 H GLN A 3 -23.286 5.645 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 3 -20.407 5.308 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -20.288 3.270 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -20.701 4.652 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -23.101 3.945 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -22.676 2.555 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -23.948 2.591 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.885 1.661 3.953 1.00 0.00 H new ATOM 44 N GLY A 4 -20.879 3.330 -2.741 1.00 0.00 N ATOM 45 CA GLY A 4 -21.225 2.429 -3.858 1.00 0.00 C ATOM 46 C GLY A 4 -20.054 1.551 -4.314 1.00 0.00 C ATOM 47 O GLY A 4 -19.091 2.050 -4.906 1.00 0.00 O ATOM 0 H GLY A 4 -19.877 3.457 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.054 1.789 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.573 3.025 -4.702 1.00 0.00 H new ATOM 51 N GLN A 5 -20.130 0.238 -4.022 1.00 0.00 N ATOM 52 CA GLN A 5 -19.125 -0.759 -4.460 1.00 0.00 C ATOM 53 C GLN A 5 -19.757 -1.684 -5.532 1.00 0.00 C ATOM 54 O GLN A 5 -20.724 -2.399 -5.240 1.00 0.00 O ATOM 55 CB GLN A 5 -18.613 -1.605 -3.244 1.00 0.00 C ATOM 56 CG GLN A 5 -17.821 -0.827 -2.149 1.00 0.00 C ATOM 57 CD GLN A 5 -18.659 0.150 -1.303 1.00 0.00 C ATOM 58 OE1 GLN A 5 -19.849 -0.051 -1.083 1.00 0.00 O ATOM 59 NE2 GLN A 5 -18.038 1.204 -0.800 1.00 0.00 N ATOM 0 H GLN A 5 -20.890 -0.165 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.270 -0.237 -4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.472 -2.081 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.976 -2.403 -3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.351 -1.549 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.019 -0.269 -2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.048 1.354 -0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.549 1.867 -0.218 1.00 0.00 H new ATOM 68 N ASN A 6 -19.220 -1.658 -6.767 1.00 0.00 N ATOM 69 CA ASN A 6 -19.709 -2.497 -7.880 1.00 0.00 C ATOM 70 C ASN A 6 -18.618 -2.656 -8.974 1.00 0.00 C ATOM 71 O ASN A 6 -18.404 -1.745 -9.780 1.00 0.00 O ATOM 72 CB ASN A 6 -21.044 -1.933 -8.465 1.00 0.00 C ATOM 73 CG ASN A 6 -20.999 -0.426 -8.786 1.00 0.00 C ATOM 74 OD1 ASN A 6 -21.292 0.412 -7.935 1.00 0.00 O ATOM 75 ND2 ASN A 6 -20.629 -0.077 -10.003 1.00 0.00 N ATOM 0 H ASN A 6 -18.437 -1.056 -7.022 1.00 0.00 H new ATOM 0 HA ASN A 6 -19.925 -3.491 -7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -21.291 -2.481 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -21.848 -2.119 -7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -20.580 0.909 -10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -20.391 -0.794 -10.689 1.00 0.00 H new ATOM 82 N VAL A 7 -17.901 -3.814 -8.935 1.00 0.00 N ATOM 83 CA VAL A 7 -16.899 -4.246 -9.943 1.00 0.00 C ATOM 84 C VAL A 7 -15.945 -3.096 -10.399 1.00 0.00 C ATOM 85 O VAL A 7 -16.014 -2.608 -11.535 1.00 0.00 O ATOM 86 CB VAL A 7 -17.593 -4.962 -11.174 1.00 0.00 C ATOM 87 CG1 VAL A 7 -16.554 -5.747 -12.006 1.00 0.00 C ATOM 88 CG2 VAL A 7 -18.752 -5.893 -10.715 1.00 0.00 C ATOM 0 H VAL A 7 -18.010 -4.490 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.261 -4.977 -9.447 1.00 0.00 H new ATOM 0 HB VAL A 7 -18.026 -4.187 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.052 -6.231 -12.846 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.794 -5.061 -12.380 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.082 -6.504 -11.379 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -19.205 -6.367 -11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -18.360 -6.660 -10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -19.505 -5.305 -10.190 1.00 0.00 H new ATOM 98 N LEU A 8 -15.094 -2.637 -9.463 1.00 0.00 N ATOM 99 CA LEU A 8 -14.206 -1.469 -9.665 1.00 0.00 C ATOM 100 C LEU A 8 -12.707 -1.806 -9.468 1.00 0.00 C ATOM 101 O LEU A 8 -11.844 -1.018 -9.856 1.00 0.00 O ATOM 102 CB LEU A 8 -14.648 -0.264 -8.745 1.00 0.00 C ATOM 103 CG LEU A 8 -14.802 -0.451 -7.171 1.00 0.00 C ATOM 104 CD1 LEU A 8 -15.896 -1.452 -6.777 1.00 0.00 C ATOM 105 CD2 LEU A 8 -13.477 -0.780 -6.451 1.00 0.00 C ATOM 0 H LEU A 8 -15.000 -3.064 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.315 -1.169 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.929 0.539 -8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.608 0.090 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.120 0.532 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.945 -1.529 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.857 -1.110 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.664 -2.429 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.662 -0.893 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.068 -1.709 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.765 0.029 -6.612 1.00 0.00 H new ATOM 117 N GLY A 9 -12.429 -2.984 -8.869 1.00 0.00 N ATOM 118 CA GLY A 9 -11.091 -3.339 -8.349 1.00 0.00 C ATOM 119 C GLY A 9 -9.914 -3.203 -9.329 1.00 0.00 C ATOM 120 O GLY A 9 -8.767 -3.012 -8.909 1.00 0.00 O ATOM 0 H GLY A 9 -13.126 -3.716 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.886 -2.713 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.124 -4.370 -7.998 1.00 0.00 H new ATOM 124 N GLN A 10 -10.202 -3.368 -10.624 1.00 0.00 N ATOM 125 CA GLN A 10 -9.241 -3.129 -11.719 1.00 0.00 C ATOM 126 C GLN A 10 -10.006 -2.924 -13.049 1.00 0.00 C ATOM 127 O GLN A 10 -11.245 -2.881 -13.052 1.00 0.00 O ATOM 128 CB GLN A 10 -8.222 -4.307 -11.846 1.00 0.00 C ATOM 129 CG GLN A 10 -8.849 -5.668 -12.230 1.00 0.00 C ATOM 130 CD GLN A 10 -7.815 -6.757 -12.551 1.00 0.00 C ATOM 131 OE1 GLN A 10 -6.704 -6.767 -12.027 1.00 0.00 O ATOM 132 NE2 GLN A 10 -8.173 -7.689 -13.411 1.00 0.00 N ATOM 0 H GLN A 10 -11.118 -3.675 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.673 -2.227 -11.490 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.474 -4.043 -12.594 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.698 -4.419 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.481 -6.010 -11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.497 -5.528 -13.096 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.100 -7.663 -13.835 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.523 -8.437 -13.653 1.00 0.00 H new ATOM 141 N ASP A 11 -9.246 -2.795 -14.161 1.00 0.00 N ATOM 142 CA ASP A 11 -9.781 -2.712 -15.541 1.00 0.00 C ATOM 143 C ASP A 11 -10.665 -1.449 -15.762 1.00 0.00 C ATOM 144 O ASP A 11 -11.862 -1.443 -15.461 1.00 0.00 O ATOM 145 CB ASP A 11 -10.530 -4.023 -15.931 1.00 0.00 C ATOM 146 CG ASP A 11 -11.093 -4.007 -17.362 1.00 0.00 C ATOM 147 OD1 ASP A 11 -10.292 -3.941 -18.313 1.00 0.00 O ATOM 148 OD2 ASP A 11 -12.334 -4.044 -17.539 1.00 0.00 O ATOM 0 H ASP A 11 -8.228 -2.745 -14.125 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.927 -2.606 -16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.847 -4.866 -15.827 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.348 -4.187 -15.229 1.00 0.00 H new ATOM 153 N LEU A 12 -10.037 -0.359 -16.233 1.00 0.00 N ATOM 154 CA LEU A 12 -10.732 0.868 -16.681 1.00 0.00 C ATOM 155 C LEU A 12 -10.142 1.336 -18.036 1.00 0.00 C ATOM 156 O LEU A 12 -9.070 0.867 -18.452 1.00 0.00 O ATOM 157 CB LEU A 12 -10.728 2.001 -15.572 1.00 0.00 C ATOM 158 CG LEU A 12 -9.435 2.251 -14.690 1.00 0.00 C ATOM 159 CD1 LEU A 12 -9.210 1.147 -13.631 1.00 0.00 C ATOM 160 CD2 LEU A 12 -8.171 2.466 -15.545 1.00 0.00 C ATOM 0 H LEU A 12 -9.022 -0.300 -16.316 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.785 0.637 -16.839 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.966 2.941 -16.070 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.549 1.786 -14.888 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.625 3.179 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.311 1.371 -13.057 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.068 1.106 -12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.093 0.184 -14.128 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.314 2.633 -14.892 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.993 1.583 -16.159 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.311 3.334 -16.189 1.00 0.00 H new ATOM 172 N GLU A 13 -10.838 2.267 -18.709 1.00 0.00 N ATOM 173 CA GLU A 13 -10.505 2.683 -20.099 1.00 0.00 C ATOM 174 C GLU A 13 -9.275 3.630 -20.171 1.00 0.00 C ATOM 175 O GLU A 13 -8.574 3.842 -19.175 1.00 0.00 O ATOM 176 CB GLU A 13 -11.744 3.358 -20.756 1.00 0.00 C ATOM 177 CG GLU A 13 -12.217 4.665 -20.074 1.00 0.00 C ATOM 178 CD GLU A 13 -13.360 5.349 -20.840 1.00 0.00 C ATOM 179 OE1 GLU A 13 -14.506 4.853 -20.781 1.00 0.00 O ATOM 180 OE2 GLU A 13 -13.121 6.375 -21.520 1.00 0.00 O ATOM 0 H GLU A 13 -11.643 2.755 -18.316 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.235 1.781 -20.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.511 3.574 -21.799 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.570 2.646 -20.755 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.546 4.443 -19.059 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.376 5.353 -19.992 1.00 0.00 H new ATOM 187 N VAL A 14 -9.039 4.183 -21.383 1.00 0.00 N ATOM 188 CA VAL A 14 -7.927 5.114 -21.674 1.00 0.00 C ATOM 189 C VAL A 14 -7.869 6.325 -20.688 1.00 0.00 C ATOM 190 O VAL A 14 -8.725 7.218 -20.697 1.00 0.00 O ATOM 191 CB VAL A 14 -7.975 5.595 -23.184 1.00 0.00 C ATOM 192 CG1 VAL A 14 -9.367 6.168 -23.565 1.00 0.00 C ATOM 193 CG2 VAL A 14 -6.840 6.609 -23.499 1.00 0.00 C ATOM 0 H VAL A 14 -9.624 3.992 -22.196 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.003 4.557 -21.519 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.808 4.714 -23.803 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.357 6.486 -24.608 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.127 5.399 -23.428 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.596 7.022 -22.928 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.905 6.916 -24.543 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.945 7.483 -22.857 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.873 6.140 -23.319 1.00 0.00 H new ATOM 203 N CYS A 15 -6.859 6.292 -19.801 1.00 0.00 N ATOM 204 CA CYS A 15 -6.606 7.350 -18.796 1.00 0.00 C ATOM 205 C CYS A 15 -5.753 8.491 -19.390 1.00 0.00 C ATOM 206 O CYS A 15 -6.064 9.672 -19.212 1.00 0.00 O ATOM 207 CB CYS A 15 -5.898 6.737 -17.572 1.00 0.00 C ATOM 208 SG CYS A 15 -6.857 5.443 -16.756 1.00 0.00 S ATOM 0 H CYS A 15 -6.187 5.526 -19.758 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.562 7.774 -18.490 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.939 6.324 -17.886 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.684 7.528 -16.853 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.067 4.710 -16.029 1.00 0.00 H new ATOM 214 N CYS A 16 -4.678 8.107 -20.106 1.00 0.00 N ATOM 215 CA CYS A 16 -3.748 9.064 -20.746 1.00 0.00 C ATOM 216 C CYS A 16 -4.320 9.544 -22.100 1.00 0.00 C ATOM 217 O CYS A 16 -4.084 8.921 -23.143 1.00 0.00 O ATOM 218 CB CYS A 16 -2.355 8.418 -20.938 1.00 0.00 C ATOM 219 SG CYS A 16 -1.164 9.459 -21.821 1.00 0.00 S ATOM 0 H CYS A 16 -4.429 7.130 -20.258 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.635 9.930 -20.094 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.946 8.168 -19.959 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.474 7.481 -21.482 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.827 8.882 -22.936 1.00 0.00 H new ATOM 225 N CYS A 17 -5.123 10.624 -22.054 1.00 0.00 N ATOM 226 CA CYS A 17 -5.749 11.234 -23.252 1.00 0.00 C ATOM 227 C CYS A 17 -6.135 12.709 -22.984 1.00 0.00 C ATOM 228 O CYS A 17 -5.715 13.615 -23.714 1.00 0.00 O ATOM 229 CB CYS A 17 -6.990 10.432 -23.704 1.00 0.00 C ATOM 230 SG CYS A 17 -7.831 11.123 -25.148 1.00 0.00 S ATOM 0 H CYS A 17 -5.359 11.102 -21.185 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.013 11.208 -24.056 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.686 9.410 -23.929 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.697 10.380 -22.876 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.855 10.381 -25.450 1.00 0.00 H new ATOM 236 N ALA A 18 -6.959 12.934 -21.934 1.00 0.00 N ATOM 237 CA ALA A 18 -7.334 14.299 -21.468 1.00 0.00 C ATOM 238 C ALA A 18 -6.657 14.639 -20.092 1.00 0.00 C ATOM 239 O ALA A 18 -6.014 15.692 -19.991 1.00 0.00 O ATOM 240 CB ALA A 18 -8.875 14.482 -21.436 1.00 0.00 C ATOM 0 H ALA A 18 -7.382 12.184 -21.387 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.950 15.019 -22.191 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.115 15.488 -21.092 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.280 14.335 -22.437 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.314 13.752 -20.756 1.00 0.00 H new ATOM 246 N PRO A 19 -6.772 13.779 -18.996 1.00 0.00 N ATOM 247 CA PRO A 19 -5.947 13.953 -17.765 1.00 0.00 C ATOM 248 C PRO A 19 -4.451 13.636 -18.036 1.00 0.00 C ATOM 249 O PRO A 19 -4.108 12.523 -18.464 1.00 0.00 O ATOM 250 CB PRO A 19 -6.575 12.957 -16.737 1.00 0.00 C ATOM 251 CG PRO A 19 -7.907 12.595 -17.329 1.00 0.00 C ATOM 252 CD PRO A 19 -7.700 12.629 -18.824 1.00 0.00 C ATOM 0 HA PRO A 19 -5.956 14.980 -17.399 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.947 12.076 -16.604 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.689 13.418 -15.756 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.229 11.607 -16.999 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.679 13.301 -17.022 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.267 11.700 -19.195 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.637 12.780 -19.360 1.00 0.00 H new ATOM 260 N MET A 20 -3.578 14.632 -17.810 1.00 0.00 N ATOM 261 CA MET A 20 -2.131 14.505 -18.050 1.00 0.00 C ATOM 262 C MET A 20 -1.460 13.631 -16.964 1.00 0.00 C ATOM 263 O MET A 20 -1.165 14.099 -15.857 1.00 0.00 O ATOM 264 CB MET A 20 -1.478 15.909 -18.127 1.00 0.00 C ATOM 265 CG MET A 20 -1.977 16.758 -19.302 1.00 0.00 C ATOM 266 SD MET A 20 -1.658 15.961 -20.896 1.00 0.00 S ATOM 267 CE MET A 20 -2.397 17.125 -22.041 1.00 0.00 C ATOM 0 H MET A 20 -3.856 15.547 -17.456 1.00 0.00 H new ATOM 0 HA MET A 20 -1.981 14.004 -19.006 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.673 16.442 -17.197 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.397 15.793 -18.207 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.047 16.935 -19.193 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.488 17.732 -19.279 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.274 16.760 -23.061 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.459 17.230 -21.819 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.908 18.094 -21.941 1.00 0.00 H new ATOM 277 N THR A 21 -1.271 12.341 -17.295 1.00 0.00 N ATOM 278 CA THR A 21 -0.562 11.360 -16.434 1.00 0.00 C ATOM 279 C THR A 21 0.983 11.521 -16.516 1.00 0.00 C ATOM 280 O THR A 21 1.732 10.832 -15.813 1.00 0.00 O ATOM 281 CB THR A 21 -0.965 9.901 -16.834 1.00 0.00 C ATOM 282 OG1 THR A 21 -0.598 9.656 -18.205 1.00 0.00 O ATOM 283 CG2 THR A 21 -2.481 9.659 -16.663 1.00 0.00 C ATOM 0 H THR A 21 -1.606 11.941 -18.172 1.00 0.00 H new ATOM 0 HA THR A 21 -0.862 11.555 -15.404 1.00 0.00 H new ATOM 0 HB THR A 21 -0.435 9.217 -16.172 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.572 8.690 -18.369 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.721 8.635 -16.951 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.760 9.818 -15.621 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.034 10.353 -17.296 1.00 0.00 H new ATOM 291 N GLY A 22 1.431 12.447 -17.378 1.00 0.00 N ATOM 292 CA GLY A 22 2.847 12.781 -17.552 1.00 0.00 C ATOM 293 C GLY A 22 3.045 13.650 -18.789 1.00 0.00 C ATOM 294 O GLY A 22 3.494 14.795 -18.698 1.00 0.00 O ATOM 0 H GLY A 22 0.810 12.989 -17.979 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.214 13.306 -16.670 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.433 11.867 -17.646 1.00 0.00 H new ATOM 298 N TRP A 23 2.670 13.082 -19.947 1.00 0.00 N ATOM 299 CA TRP A 23 2.694 13.754 -21.267 1.00 0.00 C ATOM 300 C TRP A 23 1.925 12.870 -22.289 1.00 0.00 C ATOM 301 O TRP A 23 1.533 11.739 -21.956 1.00 0.00 O ATOM 302 CB TRP A 23 4.171 13.999 -21.720 1.00 0.00 C ATOM 303 CG TRP A 23 4.330 14.839 -22.973 1.00 0.00 C ATOM 304 CD1 TRP A 23 3.960 16.146 -23.142 1.00 0.00 C ATOM 305 CD2 TRP A 23 4.900 14.423 -24.223 1.00 0.00 C ATOM 306 NE1 TRP A 23 4.252 16.556 -24.417 1.00 0.00 N ATOM 307 CE2 TRP A 23 4.835 15.521 -25.098 1.00 0.00 C ATOM 308 CE3 TRP A 23 5.464 13.227 -24.682 1.00 0.00 C ATOM 309 CZ2 TRP A 23 5.303 15.456 -26.409 1.00 0.00 C ATOM 310 CZ3 TRP A 23 5.931 13.162 -25.983 1.00 0.00 C ATOM 311 CH2 TRP A 23 5.851 14.272 -26.834 1.00 0.00 C ATOM 0 H TRP A 23 2.333 12.121 -19.998 1.00 0.00 H new ATOM 0 HA TRP A 23 2.207 14.727 -21.204 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.708 14.485 -20.905 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.648 13.033 -21.886 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.505 16.764 -22.382 1.00 0.00 H new ATOM 0 HE1 TRP A 23 4.065 17.484 -24.798 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.534 12.368 -24.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 5.237 16.309 -27.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.364 12.242 -26.348 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.228 14.194 -27.843 1.00 0.00 H new ATOM 322 N TYR A 24 1.682 13.381 -23.515 1.00 0.00 N ATOM 323 CA TYR A 24 1.099 12.574 -24.611 1.00 0.00 C ATOM 324 C TYR A 24 2.098 11.476 -25.064 1.00 0.00 C ATOM 325 O TYR A 24 2.914 11.679 -25.970 1.00 0.00 O ATOM 326 CB TYR A 24 0.673 13.483 -25.799 1.00 0.00 C ATOM 327 CG TYR A 24 0.061 12.715 -26.993 1.00 0.00 C ATOM 328 CD1 TYR A 24 -1.191 12.096 -26.886 1.00 0.00 C ATOM 329 CD2 TYR A 24 0.742 12.585 -28.213 1.00 0.00 C ATOM 330 CE1 TYR A 24 -1.734 11.385 -27.943 1.00 0.00 C ATOM 331 CE2 TYR A 24 0.197 11.878 -29.270 1.00 0.00 C ATOM 332 CZ TYR A 24 -1.039 11.280 -29.130 1.00 0.00 C ATOM 333 OH TYR A 24 -1.571 10.565 -30.183 1.00 0.00 O ATOM 0 H TYR A 24 1.880 14.348 -23.772 1.00 0.00 H new ATOM 0 HA TYR A 24 0.202 12.078 -24.240 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.052 14.214 -25.441 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.543 14.040 -26.147 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.743 12.175 -25.961 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.712 13.046 -28.329 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.700 10.913 -27.838 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.737 11.794 -30.202 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.953 10.593 -30.943 1.00 0.00 H new ATOM 343 N ARG A 25 2.056 10.331 -24.371 1.00 0.00 N ATOM 344 CA ARG A 25 2.914 9.168 -24.666 1.00 0.00 C ATOM 345 C ARG A 25 2.172 8.173 -25.580 1.00 0.00 C ATOM 346 O ARG A 25 2.644 7.840 -26.672 1.00 0.00 O ATOM 347 CB ARG A 25 3.331 8.478 -23.340 1.00 0.00 C ATOM 348 CG ARG A 25 4.130 9.383 -22.375 1.00 0.00 C ATOM 349 CD ARG A 25 4.494 8.675 -21.055 1.00 0.00 C ATOM 350 NE ARG A 25 5.270 7.440 -21.283 1.00 0.00 N ATOM 351 CZ ARG A 25 5.824 6.697 -20.347 1.00 0.00 C ATOM 352 NH1 ARG A 25 5.782 7.041 -19.094 1.00 0.00 N ATOM 353 NH2 ARG A 25 6.435 5.611 -20.689 1.00 0.00 N ATOM 0 H ARG A 25 1.424 10.181 -23.585 1.00 0.00 H new ATOM 0 HA ARG A 25 3.809 9.508 -25.186 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.434 8.126 -22.830 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.931 7.599 -23.575 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.044 9.714 -22.868 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.545 10.276 -22.154 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.071 9.354 -20.427 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.581 8.434 -20.510 1.00 0.00 H new ATOM 0 HE ARG A 25 5.387 7.136 -22.249 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.312 7.903 -18.817 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.219 6.449 -18.388 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.483 5.341 -21.671 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.869 5.024 -19.977 1.00 0.00 H new ATOM 367 N ASN A 26 0.985 7.744 -25.116 1.00 0.00 N ATOM 368 CA ASN A 26 0.137 6.755 -25.790 1.00 0.00 C ATOM 369 C ASN A 26 -1.205 6.683 -25.034 1.00 0.00 C ATOM 370 O ASN A 26 -1.292 7.088 -23.864 1.00 0.00 O ATOM 371 CB ASN A 26 0.828 5.352 -25.824 1.00 0.00 C ATOM 372 CG ASN A 26 0.063 4.288 -26.620 1.00 0.00 C ATOM 373 OD1 ASN A 26 -0.628 4.587 -27.594 1.00 0.00 O ATOM 374 ND2 ASN A 26 0.155 3.039 -26.201 1.00 0.00 N ATOM 0 H ASN A 26 0.583 8.085 -24.243 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.030 7.055 -26.824 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.824 5.462 -26.252 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.957 4.999 -24.801 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.352 2.299 -26.687 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.734 2.814 -25.392 1.00 0.00 H new ATOM 381 N GLY A 27 -2.244 6.196 -25.715 1.00 0.00 N ATOM 382 CA GLY A 27 -3.540 5.930 -25.085 1.00 0.00 C ATOM 383 C GLY A 27 -3.444 4.917 -23.928 1.00 0.00 C ATOM 384 O GLY A 27 -3.126 3.746 -24.166 1.00 0.00 O ATOM 0 H GLY A 27 -2.213 5.976 -26.711 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.955 6.865 -24.710 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.233 5.552 -25.836 1.00 0.00 H new ATOM 388 N PHE A 28 -3.646 5.421 -22.679 1.00 0.00 N ATOM 389 CA PHE A 28 -3.708 4.617 -21.427 1.00 0.00 C ATOM 390 C PHE A 28 -2.298 4.242 -20.888 1.00 0.00 C ATOM 391 O PHE A 28 -1.391 3.904 -21.654 1.00 0.00 O ATOM 392 CB PHE A 28 -4.600 3.351 -21.593 1.00 0.00 C ATOM 393 CG PHE A 28 -4.775 2.523 -20.324 1.00 0.00 C ATOM 394 CD1 PHE A 28 -5.412 3.070 -19.219 1.00 0.00 C ATOM 395 CD2 PHE A 28 -4.297 1.212 -20.228 1.00 0.00 C ATOM 396 CE1 PHE A 28 -5.574 2.341 -18.061 1.00 0.00 C ATOM 397 CE2 PHE A 28 -4.458 0.481 -19.065 1.00 0.00 C ATOM 398 CZ PHE A 28 -5.097 1.049 -17.981 1.00 0.00 C ATOM 0 H PHE A 28 -3.773 6.419 -22.512 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.176 5.257 -20.679 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.583 3.660 -21.947 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.167 2.717 -22.367 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.786 4.082 -19.267 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.795 0.765 -21.073 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.076 2.783 -17.213 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.085 -0.531 -19.005 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.223 0.482 -17.071 1.00 0.00 H new ATOM 408 N CYS A 29 -2.143 4.299 -19.547 1.00 0.00 N ATOM 409 CA CYS A 29 -0.886 3.951 -18.852 1.00 0.00 C ATOM 410 C CYS A 29 -0.850 2.442 -18.518 1.00 0.00 C ATOM 411 O CYS A 29 -1.472 1.999 -17.543 1.00 0.00 O ATOM 412 CB CYS A 29 -0.757 4.779 -17.553 1.00 0.00 C ATOM 413 SG CYS A 29 -0.890 6.557 -17.792 1.00 0.00 S ATOM 0 H CYS A 29 -2.889 4.589 -18.915 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.049 4.182 -19.511 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.530 4.459 -16.854 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.204 4.557 -17.089 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.984 7.144 -16.636 1.00 0.00 H new ATOM 419 N GLN A 30 -0.166 1.658 -19.364 1.00 0.00 N ATOM 420 CA GLN A 30 0.073 0.222 -19.113 1.00 0.00 C ATOM 421 C GLN A 30 1.344 0.015 -18.252 1.00 0.00 C ATOM 422 O GLN A 30 2.342 0.731 -18.397 1.00 0.00 O ATOM 423 CB GLN A 30 0.186 -0.567 -20.450 1.00 0.00 C ATOM 424 CG GLN A 30 1.295 -0.081 -21.414 1.00 0.00 C ATOM 425 CD GLN A 30 1.467 -0.968 -22.652 1.00 0.00 C ATOM 426 OE1 GLN A 30 1.251 -2.178 -22.606 1.00 0.00 O ATOM 427 NE2 GLN A 30 1.865 -0.380 -23.764 1.00 0.00 N ATOM 0 H GLN A 30 0.237 1.996 -20.238 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.782 -0.166 -18.560 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.363 -1.617 -20.219 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.772 -0.512 -20.967 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.066 0.935 -21.735 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.241 -0.039 -20.874 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.037 0.625 -23.776 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.000 -0.931 -24.612 1.00 0.00 H new ATOM 436 N THR A 31 1.280 -0.967 -17.346 1.00 0.00 N ATOM 437 CA THR A 31 2.424 -1.380 -16.482 1.00 0.00 C ATOM 438 C THR A 31 2.963 -2.768 -16.932 1.00 0.00 C ATOM 439 O THR A 31 3.860 -3.352 -16.310 1.00 0.00 O ATOM 440 CB THR A 31 1.975 -1.432 -14.972 1.00 0.00 C ATOM 441 OG1 THR A 31 3.075 -1.786 -14.109 1.00 0.00 O ATOM 442 CG2 THR A 31 0.800 -2.415 -14.753 1.00 0.00 C ATOM 0 H THR A 31 0.433 -1.510 -17.180 1.00 0.00 H new ATOM 0 HA THR A 31 3.223 -0.645 -16.583 1.00 0.00 H new ATOM 0 HB THR A 31 1.634 -0.429 -14.714 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.650 -2.437 -14.563 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.522 -2.420 -13.699 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.054 -2.100 -15.352 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.104 -3.418 -15.053 1.00 0.00 H new ATOM 450 N ASP A 32 2.408 -3.255 -18.048 1.00 0.00 N ATOM 451 CA ASP A 32 2.583 -4.632 -18.535 1.00 0.00 C ATOM 452 C ASP A 32 3.796 -4.753 -19.478 1.00 0.00 C ATOM 453 O ASP A 32 4.425 -3.747 -19.831 1.00 0.00 O ATOM 454 CB ASP A 32 1.288 -5.059 -19.268 1.00 0.00 C ATOM 455 CG ASP A 32 0.023 -4.823 -18.419 1.00 0.00 C ATOM 456 OD1 ASP A 32 -0.395 -3.649 -18.267 1.00 0.00 O ATOM 457 OD2 ASP A 32 -0.555 -5.801 -17.892 1.00 0.00 O ATOM 0 H ASP A 32 1.811 -2.691 -18.653 1.00 0.00 H new ATOM 0 HA ASP A 32 2.773 -5.288 -17.685 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.203 -4.504 -20.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.354 -6.115 -19.530 1.00 0.00 H new ATOM 462 N VAL A 33 4.108 -6.016 -19.853 1.00 0.00 N ATOM 463 CA VAL A 33 5.199 -6.416 -20.799 1.00 0.00 C ATOM 464 C VAL A 33 6.608 -5.833 -20.472 1.00 0.00 C ATOM 465 O VAL A 33 7.526 -5.900 -21.300 1.00 0.00 O ATOM 466 CB VAL A 33 4.816 -6.186 -22.328 1.00 0.00 C ATOM 467 CG1 VAL A 33 3.436 -6.821 -22.658 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.869 -4.686 -22.758 1.00 0.00 C ATOM 0 H VAL A 33 3.593 -6.821 -19.497 1.00 0.00 H new ATOM 0 HA VAL A 33 5.288 -7.490 -20.636 1.00 0.00 H new ATOM 0 HB VAL A 33 5.580 -6.694 -22.916 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.198 -6.650 -23.708 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.473 -7.893 -22.465 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.667 -6.366 -22.033 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.597 -4.599 -23.810 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.169 -4.109 -22.154 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.878 -4.301 -22.611 1.00 0.00 H new ATOM 478 N GLN A 34 6.784 -5.308 -19.245 1.00 0.00 N ATOM 479 CA GLN A 34 8.093 -4.807 -18.752 1.00 0.00 C ATOM 480 C GLN A 34 8.546 -5.687 -17.569 1.00 0.00 C ATOM 481 O GLN A 34 9.305 -6.643 -17.769 1.00 0.00 O ATOM 482 CB GLN A 34 8.025 -3.298 -18.345 1.00 0.00 C ATOM 483 CG GLN A 34 7.431 -2.351 -19.413 1.00 0.00 C ATOM 484 CD GLN A 34 8.148 -2.363 -20.772 1.00 0.00 C ATOM 485 OE1 GLN A 34 7.524 -2.174 -21.808 1.00 0.00 O ATOM 486 NE2 GLN A 34 9.455 -2.539 -20.786 1.00 0.00 N ATOM 0 H GLN A 34 6.029 -5.217 -18.565 1.00 0.00 H new ATOM 0 HA GLN A 34 8.824 -4.873 -19.558 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.431 -3.211 -17.435 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.032 -2.959 -18.102 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.386 -2.617 -19.570 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.446 -1.334 -19.022 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.958 -2.695 -19.912 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.963 -2.519 -21.670 1.00 0.00 H new ATOM 495 N ASP A 35 8.017 -5.377 -16.355 1.00 0.00 N ATOM 496 CA ASP A 35 8.197 -6.191 -15.127 1.00 0.00 C ATOM 497 C ASP A 35 9.689 -6.453 -14.777 1.00 0.00 C ATOM 498 O ASP A 35 10.101 -7.594 -14.534 1.00 0.00 O ATOM 499 CB ASP A 35 7.376 -7.502 -15.264 1.00 0.00 C ATOM 500 CG ASP A 35 5.899 -7.219 -15.609 1.00 0.00 C ATOM 501 OD1 ASP A 35 5.105 -6.959 -14.683 1.00 0.00 O ATOM 502 OD2 ASP A 35 5.534 -7.237 -16.815 1.00 0.00 O ATOM 0 H ASP A 35 7.447 -4.545 -16.202 1.00 0.00 H new ATOM 0 HA ASP A 35 7.817 -5.621 -14.279 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.817 -8.128 -16.040 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.430 -8.064 -14.332 1.00 0.00 H new ATOM 507 N ARG A 36 10.484 -5.364 -14.733 1.00 0.00 N ATOM 508 CA ARG A 36 11.957 -5.428 -14.533 1.00 0.00 C ATOM 509 C ARG A 36 12.426 -4.639 -13.288 1.00 0.00 C ATOM 510 O ARG A 36 13.604 -4.718 -12.917 1.00 0.00 O ATOM 511 CB ARG A 36 12.684 -4.875 -15.794 1.00 0.00 C ATOM 512 CG ARG A 36 12.334 -5.597 -17.113 1.00 0.00 C ATOM 513 CD ARG A 36 12.734 -7.082 -17.122 1.00 0.00 C ATOM 514 NE ARG A 36 12.181 -7.787 -18.291 1.00 0.00 N ATOM 515 CZ ARG A 36 12.571 -8.963 -18.732 1.00 0.00 C ATOM 516 NH1 ARG A 36 13.613 -9.561 -18.239 1.00 0.00 N ATOM 517 NH2 ARG A 36 11.921 -9.515 -19.696 1.00 0.00 N ATOM 0 H ARG A 36 10.129 -4.413 -14.834 1.00 0.00 H new ATOM 0 HA ARG A 36 12.211 -6.476 -14.372 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.443 -3.817 -15.900 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.760 -4.942 -15.634 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.261 -5.516 -17.289 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.832 -5.089 -17.939 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.821 -7.166 -17.126 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.381 -7.560 -16.208 1.00 0.00 H new ATOM 0 HE ARG A 36 11.431 -7.323 -18.803 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.149 -9.119 -17.493 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.895 -10.473 -18.598 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.117 -9.041 -20.106 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.210 -10.427 -20.050 1.00 0.00 H new ATOM 531 N GLY A 37 11.510 -3.895 -12.643 1.00 0.00 N ATOM 532 CA GLY A 37 11.876 -2.974 -11.556 1.00 0.00 C ATOM 533 C GLY A 37 12.430 -1.636 -12.072 1.00 0.00 C ATOM 534 O GLY A 37 13.645 -1.440 -12.129 1.00 0.00 O ATOM 0 H GLY A 37 10.513 -3.914 -12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.000 -2.785 -10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.621 -3.449 -10.918 1.00 0.00 H new ATOM 538 N SER A 38 11.524 -0.720 -12.467 1.00 0.00 N ATOM 539 CA SER A 38 11.877 0.635 -12.977 1.00 0.00 C ATOM 540 C SER A 38 11.060 1.739 -12.249 1.00 0.00 C ATOM 541 O SER A 38 11.626 2.611 -11.579 1.00 0.00 O ATOM 542 CB SER A 38 11.629 0.721 -14.511 1.00 0.00 C ATOM 543 OG SER A 38 12.380 -0.244 -15.235 1.00 0.00 O ATOM 0 H SER A 38 10.519 -0.893 -12.444 1.00 0.00 H new ATOM 0 HA SER A 38 12.935 0.800 -12.776 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.568 0.578 -14.713 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.889 1.719 -14.863 1.00 0.00 H new ATOM 0 HG SER A 38 12.192 -0.154 -16.192 1.00 0.00 H new ATOM 549 N HIS A 39 9.714 1.682 -12.397 1.00 0.00 N ATOM 550 CA HIS A 39 8.766 2.684 -11.810 1.00 0.00 C ATOM 551 C HIS A 39 7.318 2.111 -11.742 1.00 0.00 C ATOM 552 O HIS A 39 6.336 2.850 -11.599 1.00 0.00 O ATOM 553 CB HIS A 39 8.793 3.996 -12.646 1.00 0.00 C ATOM 554 CG HIS A 39 8.333 3.816 -14.072 1.00 0.00 C ATOM 555 ND1 HIS A 39 7.010 3.900 -14.446 1.00 0.00 N ATOM 556 CD2 HIS A 39 9.016 3.508 -15.200 1.00 0.00 C ATOM 557 CE1 HIS A 39 6.900 3.650 -15.733 1.00 0.00 C ATOM 558 NE2 HIS A 39 8.101 3.412 -16.214 1.00 0.00 N ATOM 0 H HIS A 39 9.247 0.944 -12.924 1.00 0.00 H new ATOM 0 HA HIS A 39 9.087 2.906 -10.792 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.160 4.739 -12.160 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.808 4.394 -12.648 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.083 3.365 -15.284 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.980 3.642 -16.299 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.316 3.191 -17.186 1.00 0.00 H new ATOM 567 N THR A 40 7.225 0.780 -11.837 1.00 0.00 N ATOM 568 CA THR A 40 5.959 0.021 -11.934 1.00 0.00 C ATOM 569 C THR A 40 5.502 -0.509 -10.549 1.00 0.00 C ATOM 570 O THR A 40 6.152 -1.375 -9.959 1.00 0.00 O ATOM 571 CB THR A 40 6.168 -1.194 -12.906 1.00 0.00 C ATOM 572 OG1 THR A 40 7.281 -1.982 -12.458 1.00 0.00 O ATOM 573 CG2 THR A 40 6.452 -0.748 -14.341 1.00 0.00 C ATOM 0 H THR A 40 8.048 0.178 -11.849 1.00 0.00 H new ATOM 0 HA THR A 40 5.186 0.691 -12.311 1.00 0.00 H new ATOM 0 HB THR A 40 5.243 -1.771 -12.898 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.410 -2.741 -13.064 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.589 -1.625 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.613 -0.160 -14.712 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.357 -0.141 -14.361 1.00 0.00 H new ATOM 581 N VAL A 41 4.395 0.039 -10.009 1.00 0.00 N ATOM 582 CA VAL A 41 3.773 -0.481 -8.764 1.00 0.00 C ATOM 583 C VAL A 41 2.255 -0.722 -8.974 1.00 0.00 C ATOM 584 O VAL A 41 1.517 0.190 -9.362 1.00 0.00 O ATOM 585 CB VAL A 41 3.960 0.477 -7.518 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.400 -0.188 -6.224 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.436 0.915 -7.319 1.00 0.00 C ATOM 0 H VAL A 41 3.910 0.841 -10.411 1.00 0.00 H new ATOM 0 HA VAL A 41 4.289 -1.416 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 41 3.389 1.382 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.538 0.487 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.338 -0.396 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.932 -1.120 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.507 1.571 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.059 0.034 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.780 1.448 -8.205 1.00 0.00 H new ATOM 597 N CYS A 42 1.809 -1.966 -8.723 1.00 0.00 N ATOM 598 CA CYS A 42 0.373 -2.307 -8.601 1.00 0.00 C ATOM 599 C CYS A 42 0.120 -2.885 -7.194 1.00 0.00 C ATOM 600 O CYS A 42 0.527 -4.005 -6.896 1.00 0.00 O ATOM 601 CB CYS A 42 -0.038 -3.317 -9.693 1.00 0.00 C ATOM 602 SG CYS A 42 0.153 -2.686 -11.375 1.00 0.00 S ATOM 0 H CYS A 42 2.430 -2.765 -8.598 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.232 -1.411 -8.738 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.561 -4.221 -9.583 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.078 -3.603 -9.538 1.00 0.00 H new ATOM 0 HG CYS A 42 0.247 -3.683 -12.204 1.00 0.00 H new ATOM 608 N ALA A 43 -0.568 -2.112 -6.346 1.00 0.00 N ATOM 609 CA ALA A 43 -0.794 -2.448 -4.922 1.00 0.00 C ATOM 610 C ALA A 43 -2.237 -2.089 -4.552 1.00 0.00 C ATOM 611 O ALA A 43 -2.791 -1.134 -5.100 1.00 0.00 O ATOM 612 CB ALA A 43 0.198 -1.687 -4.032 1.00 0.00 C ATOM 0 H ALA A 43 -0.990 -1.226 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.635 -3.515 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.021 -1.943 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.217 -1.962 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.062 -0.614 -4.170 1.00 0.00 H new ATOM 618 N GLU A 44 -2.849 -2.839 -3.632 1.00 0.00 N ATOM 619 CA GLU A 44 -4.282 -2.673 -3.329 1.00 0.00 C ATOM 620 C GLU A 44 -4.498 -2.106 -1.911 1.00 0.00 C ATOM 621 O GLU A 44 -4.094 -2.722 -0.918 1.00 0.00 O ATOM 622 CB GLU A 44 -5.032 -4.018 -3.503 1.00 0.00 C ATOM 623 CG GLU A 44 -6.529 -3.836 -3.744 1.00 0.00 C ATOM 624 CD GLU A 44 -7.298 -5.166 -3.874 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.535 -5.824 -2.835 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.656 -5.571 -5.004 1.00 0.00 O ATOM 0 H GLU A 44 -2.383 -3.563 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.692 -1.952 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.598 -4.565 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.884 -4.629 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.954 -3.259 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.674 -3.251 -4.652 1.00 0.00 H new ATOM 633 N MET A 45 -5.125 -0.916 -1.835 1.00 0.00 N ATOM 634 CA MET A 45 -5.442 -0.243 -0.562 1.00 0.00 C ATOM 635 C MET A 45 -6.931 -0.430 -0.204 1.00 0.00 C ATOM 636 O MET A 45 -7.811 -0.159 -1.020 1.00 0.00 O ATOM 637 CB MET A 45 -5.100 1.263 -0.653 1.00 0.00 C ATOM 638 CG MET A 45 -3.693 1.545 -1.186 1.00 0.00 C ATOM 639 SD MET A 45 -2.403 0.839 -0.146 1.00 0.00 S ATOM 640 CE MET A 45 -2.724 1.660 1.411 1.00 0.00 C ATOM 0 H MET A 45 -5.426 -0.394 -2.658 1.00 0.00 H new ATOM 0 HA MET A 45 -4.838 -0.695 0.225 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.828 1.753 -1.299 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.200 1.709 0.336 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.603 1.141 -2.194 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.546 2.622 -1.260 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.442 1.003 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.141 2.579 1.465 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.785 1.899 1.485 1.00 0.00 H new ATOM 650 N THR A 46 -7.184 -0.861 1.031 1.00 0.00 N ATOM 651 CA THR A 46 -8.536 -1.123 1.557 1.00 0.00 C ATOM 652 C THR A 46 -9.158 0.175 2.113 1.00 0.00 C ATOM 653 O THR A 46 -8.439 1.046 2.618 1.00 0.00 O ATOM 654 CB THR A 46 -8.483 -2.221 2.670 1.00 0.00 C ATOM 655 OG1 THR A 46 -7.857 -3.402 2.142 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.874 -2.588 3.224 1.00 0.00 C ATOM 0 H THR A 46 -6.446 -1.043 1.711 1.00 0.00 H new ATOM 0 HA THR A 46 -9.161 -1.485 0.741 1.00 0.00 H new ATOM 0 HB THR A 46 -7.907 -1.809 3.498 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.326 -4.196 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.769 -3.354 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.339 -1.702 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.499 -2.968 2.416 1.00 0.00 H new ATOM 664 N GLU A 47 -10.499 0.245 2.053 1.00 0.00 N ATOM 665 CA GLU A 47 -11.319 1.440 2.381 1.00 0.00 C ATOM 666 C GLU A 47 -10.948 2.123 3.718 1.00 0.00 C ATOM 667 O GLU A 47 -11.113 3.337 3.853 1.00 0.00 O ATOM 668 CB GLU A 47 -12.814 1.025 2.392 1.00 0.00 C ATOM 669 CG GLU A 47 -13.798 2.196 2.266 1.00 0.00 C ATOM 670 CD GLU A 47 -15.260 1.726 2.252 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.785 1.405 1.158 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.886 1.645 3.332 1.00 0.00 O ATOM 0 H GLU A 47 -11.068 -0.552 1.766 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.116 2.185 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.991 0.328 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.023 0.489 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.648 2.886 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.587 2.749 1.351 1.00 0.00 H new ATOM 679 N GLU A 48 -10.455 1.325 4.679 1.00 0.00 N ATOM 680 CA GLU A 48 -10.000 1.804 6.008 1.00 0.00 C ATOM 681 C GLU A 48 -9.058 3.033 5.897 1.00 0.00 C ATOM 682 O GLU A 48 -9.331 4.089 6.472 1.00 0.00 O ATOM 683 CB GLU A 48 -9.253 0.654 6.745 1.00 0.00 C ATOM 684 CG GLU A 48 -10.049 -0.662 6.894 1.00 0.00 C ATOM 685 CD GLU A 48 -11.306 -0.520 7.769 1.00 0.00 C ATOM 686 OE1 GLU A 48 -12.381 -0.173 7.238 1.00 0.00 O ATOM 687 OE2 GLU A 48 -11.226 -0.757 8.994 1.00 0.00 O ATOM 0 H GLU A 48 -10.357 0.317 4.560 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.884 2.110 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.328 0.441 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.972 1.004 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.342 -1.015 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.400 -1.424 7.325 1.00 0.00 H new ATOM 694 N PHE A 49 -7.972 2.878 5.116 1.00 0.00 N ATOM 695 CA PHE A 49 -6.945 3.929 4.962 1.00 0.00 C ATOM 696 C PHE A 49 -7.430 5.097 4.070 1.00 0.00 C ATOM 697 O PHE A 49 -7.044 6.247 4.300 1.00 0.00 O ATOM 698 CB PHE A 49 -5.627 3.330 4.409 1.00 0.00 C ATOM 699 CG PHE A 49 -4.516 4.363 4.210 1.00 0.00 C ATOM 700 CD1 PHE A 49 -3.990 5.063 5.299 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.026 4.667 2.937 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.006 6.020 5.124 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.044 5.626 2.765 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.535 6.303 3.856 1.00 0.00 C ATOM 0 H PHE A 49 -7.782 2.032 4.579 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.756 4.340 5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.274 2.558 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.832 2.842 3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.357 4.854 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.419 4.146 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.606 6.546 5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.674 5.846 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.770 7.053 3.718 1.00 0.00 H new ATOM 714 N LEU A 50 -8.260 4.809 3.052 1.00 0.00 N ATOM 715 CA LEU A 50 -8.713 5.850 2.099 1.00 0.00 C ATOM 716 C LEU A 50 -9.746 6.798 2.752 1.00 0.00 C ATOM 717 O LEU A 50 -9.750 8.003 2.475 1.00 0.00 O ATOM 718 CB LEU A 50 -9.273 5.221 0.794 1.00 0.00 C ATOM 719 CG LEU A 50 -8.234 4.530 -0.137 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.752 3.200 0.441 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.799 4.352 -1.557 1.00 0.00 C ATOM 0 H LEU A 50 -8.630 3.877 2.865 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.842 6.446 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.031 4.487 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.776 6.003 0.225 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.365 5.185 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.028 2.749 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.282 3.373 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.601 2.528 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.053 3.867 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.697 3.735 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.048 5.328 -1.975 1.00 0.00 H new ATOM 733 N LEU A 51 -10.607 6.249 3.634 1.00 0.00 N ATOM 734 CA LEU A 51 -11.552 7.051 4.443 1.00 0.00 C ATOM 735 C LEU A 51 -10.816 7.793 5.579 1.00 0.00 C ATOM 736 O LEU A 51 -11.209 8.901 5.941 1.00 0.00 O ATOM 737 CB LEU A 51 -12.703 6.178 5.019 1.00 0.00 C ATOM 738 CG LEU A 51 -13.680 5.547 3.975 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.883 4.880 4.674 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.146 6.584 2.928 1.00 0.00 C ATOM 0 H LEU A 51 -10.668 5.245 3.806 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.998 7.791 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.261 5.372 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.286 6.790 5.707 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.130 4.773 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.547 4.449 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.527 4.093 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.427 5.626 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.824 6.107 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.663 7.401 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.280 6.976 2.394 1.00 0.00 H new ATOM 752 N PHE A 52 -9.749 7.169 6.134 1.00 0.00 N ATOM 753 CA PHE A 52 -8.837 7.835 7.104 1.00 0.00 C ATOM 754 C PHE A 52 -8.208 9.097 6.481 1.00 0.00 C ATOM 755 O PHE A 52 -8.296 10.177 7.053 1.00 0.00 O ATOM 756 CB PHE A 52 -7.729 6.846 7.574 1.00 0.00 C ATOM 757 CG PHE A 52 -6.585 7.478 8.385 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.831 8.118 9.601 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.262 7.438 7.920 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.801 8.699 10.321 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.235 8.016 8.646 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.503 8.649 9.841 1.00 0.00 C ATOM 0 H PHE A 52 -9.496 6.203 5.928 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.421 8.139 7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.193 6.067 8.178 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.304 6.358 6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.839 8.161 9.986 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.042 6.949 6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.010 9.192 11.259 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.222 7.971 8.276 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.701 9.106 10.402 1.00 0.00 H new ATOM 772 N SER A 53 -7.615 8.937 5.289 1.00 0.00 N ATOM 773 CA SER A 53 -6.956 10.032 4.549 1.00 0.00 C ATOM 774 C SER A 53 -7.959 11.140 4.152 1.00 0.00 C ATOM 775 O SER A 53 -7.684 12.326 4.336 1.00 0.00 O ATOM 776 CB SER A 53 -6.247 9.477 3.295 1.00 0.00 C ATOM 777 OG SER A 53 -5.196 8.584 3.646 1.00 0.00 O ATOM 0 H SER A 53 -7.577 8.040 4.805 1.00 0.00 H new ATOM 0 HA SER A 53 -6.215 10.480 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.971 8.960 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.845 10.302 2.707 1.00 0.00 H new ATOM 0 HG SER A 53 -5.576 7.724 3.923 1.00 0.00 H new ATOM 783 N ARG A 54 -9.129 10.727 3.633 1.00 0.00 N ATOM 784 CA ARG A 54 -10.197 11.653 3.199 1.00 0.00 C ATOM 785 C ARG A 54 -10.699 12.532 4.378 1.00 0.00 C ATOM 786 O ARG A 54 -10.687 13.762 4.290 1.00 0.00 O ATOM 787 CB ARG A 54 -11.356 10.847 2.552 1.00 0.00 C ATOM 788 CG ARG A 54 -12.515 11.700 1.985 1.00 0.00 C ATOM 789 CD ARG A 54 -13.518 10.871 1.155 1.00 0.00 C ATOM 790 NE ARG A 54 -14.623 11.699 0.631 1.00 0.00 N ATOM 791 CZ ARG A 54 -14.698 12.224 -0.580 1.00 0.00 C ATOM 792 NH1 ARG A 54 -13.740 12.068 -1.453 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.745 12.909 -0.897 1.00 0.00 N ATOM 0 H ARG A 54 -9.363 9.743 3.502 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.789 12.334 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.947 10.237 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.761 10.162 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.042 12.181 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.104 12.494 1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.996 10.396 0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.926 10.072 1.773 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.402 11.883 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.909 11.530 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.823 12.484 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.495 13.037 -0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.822 13.322 -1.826 1.00 0.00 H new ATOM 807 N ASP A 55 -11.071 11.875 5.493 1.00 0.00 N ATOM 808 CA ASP A 55 -11.550 12.539 6.734 1.00 0.00 C ATOM 809 C ASP A 55 -10.441 13.414 7.388 1.00 0.00 C ATOM 810 O ASP A 55 -10.726 14.448 8.001 1.00 0.00 O ATOM 811 CB ASP A 55 -12.046 11.446 7.720 1.00 0.00 C ATOM 812 CG ASP A 55 -12.717 12.012 8.982 1.00 0.00 C ATOM 813 OD1 ASP A 55 -13.923 12.333 8.922 1.00 0.00 O ATOM 814 OD2 ASP A 55 -12.048 12.137 10.031 1.00 0.00 O ATOM 0 H ASP A 55 -11.050 10.858 5.565 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.369 13.213 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.753 10.797 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -11.200 10.825 8.016 1.00 0.00 H new ATOM 819 N ARG A 56 -9.181 12.973 7.233 1.00 0.00 N ATOM 820 CA ARG A 56 -7.981 13.677 7.747 1.00 0.00 C ATOM 821 C ARG A 56 -7.747 15.035 7.025 1.00 0.00 C ATOM 822 O ARG A 56 -7.281 16.001 7.644 1.00 0.00 O ATOM 823 CB ARG A 56 -6.755 12.738 7.610 1.00 0.00 C ATOM 824 CG ARG A 56 -5.384 13.337 7.980 1.00 0.00 C ATOM 825 CD ARG A 56 -4.254 12.286 7.947 1.00 0.00 C ATOM 826 NE ARG A 56 -4.205 11.532 6.674 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.111 11.091 6.089 1.00 0.00 C ATOM 828 NH1 ARG A 56 -1.937 11.448 6.509 1.00 0.00 N ATOM 829 NH2 ARG A 56 -3.198 10.326 5.055 1.00 0.00 N ATOM 0 H ARG A 56 -8.958 12.107 6.742 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.136 13.920 8.798 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.925 11.862 8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.707 12.388 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.145 14.145 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.439 13.776 8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.297 12.784 8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.391 11.587 8.772 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.093 11.338 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.851 12.080 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.100 11.096 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.114 10.063 4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.351 9.984 4.601 1.00 0.00 H new ATOM 843 N GLY A 57 -8.081 15.100 5.718 1.00 0.00 N ATOM 844 CA GLY A 57 -7.959 16.347 4.932 1.00 0.00 C ATOM 845 C GLY A 57 -7.220 16.183 3.601 1.00 0.00 C ATOM 846 O GLY A 57 -6.688 17.157 3.060 1.00 0.00 O ATOM 0 H GLY A 57 -8.436 14.306 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.957 16.737 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.439 17.092 5.534 1.00 0.00 H new ATOM 850 N ASN A 58 -7.165 14.951 3.082 1.00 0.00 N ATOM 851 CA ASN A 58 -6.630 14.662 1.729 1.00 0.00 C ATOM 852 C ASN A 58 -7.762 14.775 0.679 1.00 0.00 C ATOM 853 O ASN A 58 -7.607 15.440 -0.349 1.00 0.00 O ATOM 854 CB ASN A 58 -5.979 13.252 1.682 1.00 0.00 C ATOM 855 CG ASN A 58 -4.757 13.124 2.594 1.00 0.00 C ATOM 856 OD1 ASN A 58 -4.867 12.752 3.760 1.00 0.00 O ATOM 857 ND2 ASN A 58 -3.582 13.442 2.078 1.00 0.00 N ATOM 0 H ASN A 58 -7.487 14.121 3.580 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.858 15.396 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.720 12.507 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.685 13.028 0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.740 13.381 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.517 13.748 1.107 1.00 0.00 H new ATOM 864 N ASP A 59 -8.887 14.071 0.960 1.00 0.00 N ATOM 865 CA ASP A 59 -10.134 14.079 0.138 1.00 0.00 C ATOM 866 C ASP A 59 -10.009 13.476 -1.286 1.00 0.00 C ATOM 867 O ASP A 59 -11.045 13.237 -1.929 1.00 0.00 O ATOM 868 CB ASP A 59 -10.777 15.497 0.088 1.00 0.00 C ATOM 869 CG ASP A 59 -11.395 15.902 1.438 1.00 0.00 C ATOM 870 OD1 ASP A 59 -10.635 16.219 2.383 1.00 0.00 O ATOM 871 OD2 ASP A 59 -12.639 15.885 1.567 1.00 0.00 O ATOM 0 H ASP A 59 -8.959 13.468 1.780 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.799 13.396 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.020 16.228 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.547 15.518 -0.683 1.00 0.00 H new ATOM 876 N LEU A 60 -8.779 13.203 -1.772 1.00 0.00 N ATOM 877 CA LEU A 60 -8.564 12.715 -3.148 1.00 0.00 C ATOM 878 C LEU A 60 -9.027 11.241 -3.291 1.00 0.00 C ATOM 879 O LEU A 60 -8.300 10.294 -2.980 1.00 0.00 O ATOM 880 CB LEU A 60 -7.084 12.893 -3.588 1.00 0.00 C ATOM 881 CG LEU A 60 -6.786 12.596 -5.103 1.00 0.00 C ATOM 882 CD1 LEU A 60 -7.621 13.508 -6.035 1.00 0.00 C ATOM 883 CD2 LEU A 60 -5.277 12.722 -5.420 1.00 0.00 C ATOM 0 H LEU A 60 -7.921 13.313 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.174 13.321 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.779 13.917 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.461 12.238 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.082 11.564 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.390 13.275 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.682 13.340 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.379 14.552 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.108 12.510 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.941 13.734 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.717 12.011 -4.813 1.00 0.00 H new ATOM 895 N MET A 61 -10.283 11.106 -3.710 1.00 0.00 N ATOM 896 CA MET A 61 -10.957 9.832 -3.985 1.00 0.00 C ATOM 897 C MET A 61 -12.116 10.134 -4.948 1.00 0.00 C ATOM 898 O MET A 61 -12.818 11.128 -4.738 1.00 0.00 O ATOM 899 CB MET A 61 -11.523 9.200 -2.678 1.00 0.00 C ATOM 900 CG MET A 61 -12.241 7.847 -2.870 1.00 0.00 C ATOM 901 SD MET A 61 -13.247 7.367 -1.447 1.00 0.00 S ATOM 902 CE MET A 61 -12.050 7.426 -0.120 1.00 0.00 C ATOM 0 H MET A 61 -10.886 11.912 -3.875 1.00 0.00 H new ATOM 0 HA MET A 61 -10.249 9.123 -4.415 1.00 0.00 H new ATOM 0 HB2 MET A 61 -10.703 9.063 -1.973 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.220 9.904 -2.223 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.876 7.902 -3.754 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.498 7.072 -3.060 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.106 6.506 0.462 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.049 7.530 -0.538 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.264 8.278 0.526 1.00 0.00 H new ATOM 912 N THR A 62 -12.304 9.301 -5.984 1.00 0.00 N ATOM 913 CA THR A 62 -13.389 9.473 -6.983 1.00 0.00 C ATOM 914 C THR A 62 -14.798 9.431 -6.307 1.00 0.00 C ATOM 915 O THR A 62 -15.246 8.355 -5.895 1.00 0.00 O ATOM 916 CB THR A 62 -13.300 8.363 -8.098 1.00 0.00 C ATOM 917 OG1 THR A 62 -11.970 8.343 -8.652 1.00 0.00 O ATOM 918 CG2 THR A 62 -14.316 8.589 -9.242 1.00 0.00 C ATOM 0 H THR A 62 -11.713 8.488 -6.159 1.00 0.00 H new ATOM 0 HA THR A 62 -13.257 10.452 -7.443 1.00 0.00 H new ATOM 0 HB THR A 62 -13.539 7.411 -7.624 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.914 7.651 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.212 7.796 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 62 -15.328 8.577 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.125 9.553 -9.713 1.00 0.00 H new ATOM 926 N PRO A 63 -15.513 10.605 -6.154 1.00 0.00 N ATOM 927 CA PRO A 63 -16.836 10.669 -5.491 1.00 0.00 C ATOM 928 C PRO A 63 -18.016 10.525 -6.489 1.00 0.00 C ATOM 929 O PRO A 63 -19.187 10.547 -6.096 1.00 0.00 O ATOM 930 CB PRO A 63 -16.804 12.078 -4.820 1.00 0.00 C ATOM 931 CG PRO A 63 -15.709 12.864 -5.529 1.00 0.00 C ATOM 932 CD PRO A 63 -15.119 11.962 -6.609 1.00 0.00 C ATOM 0 HA PRO A 63 -16.999 9.853 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.768 12.578 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.595 11.996 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.115 13.774 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.938 13.169 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.524 12.192 -7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.036 12.067 -6.677 1.00 0.00 H new ATOM 940 N ARG A 64 -17.672 10.382 -7.779 1.00 0.00 N ATOM 941 CA ARG A 64 -18.628 10.223 -8.878 1.00 0.00 C ATOM 942 C ARG A 64 -18.712 8.721 -9.244 1.00 0.00 C ATOM 943 O ARG A 64 -17.667 8.085 -9.426 1.00 0.00 O ATOM 944 CB ARG A 64 -18.147 11.080 -10.075 1.00 0.00 C ATOM 945 CG ARG A 64 -19.157 11.217 -11.232 1.00 0.00 C ATOM 946 CD ARG A 64 -18.697 12.234 -12.296 1.00 0.00 C ATOM 947 NE ARG A 64 -18.425 13.563 -11.706 1.00 0.00 N ATOM 948 CZ ARG A 64 -17.936 14.600 -12.342 1.00 0.00 C ATOM 949 NH1 ARG A 64 -17.733 14.584 -13.622 1.00 0.00 N ATOM 950 NH2 ARG A 64 -17.686 15.678 -11.683 1.00 0.00 N ATOM 0 H ARG A 64 -16.701 10.374 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 64 -19.624 10.561 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -17.898 12.077 -9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -17.227 10.645 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.302 10.244 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.123 11.525 -10.833 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.797 11.864 -12.787 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.464 12.328 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 64 -18.637 13.683 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.955 13.748 -14.163 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.351 15.407 -14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -17.869 15.717 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.305 16.493 -12.164 1.00 0.00 H new ATOM 964 N PRO A 65 -19.947 8.124 -9.357 1.00 0.00 N ATOM 965 CA PRO A 65 -20.122 6.655 -9.548 1.00 0.00 C ATOM 966 C PRO A 65 -19.498 6.111 -10.866 1.00 0.00 C ATOM 967 O PRO A 65 -19.247 4.907 -10.987 1.00 0.00 O ATOM 968 CB PRO A 65 -21.667 6.466 -9.510 1.00 0.00 C ATOM 969 CG PRO A 65 -22.227 7.808 -9.867 1.00 0.00 C ATOM 970 CD PRO A 65 -21.262 8.825 -9.299 1.00 0.00 C ATOM 0 HA PRO A 65 -19.598 6.087 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.989 5.702 -10.218 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -22.002 6.148 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -22.319 7.918 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -23.224 7.939 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -21.254 9.743 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -21.525 9.102 -8.278 1.00 0.00 H new ATOM 978 N GLU A 66 -19.238 7.010 -11.834 1.00 0.00 N ATOM 979 CA GLU A 66 -18.553 6.652 -13.091 1.00 0.00 C ATOM 980 C GLU A 66 -17.034 6.472 -12.848 1.00 0.00 C ATOM 981 O GLU A 66 -16.327 7.425 -12.498 1.00 0.00 O ATOM 982 CB GLU A 66 -18.788 7.726 -14.191 1.00 0.00 C ATOM 983 CG GLU A 66 -20.233 7.819 -14.747 1.00 0.00 C ATOM 984 CD GLU A 66 -21.300 8.194 -13.701 1.00 0.00 C ATOM 985 OE1 GLU A 66 -21.248 9.323 -13.173 1.00 0.00 O ATOM 986 OE2 GLU A 66 -22.199 7.375 -13.407 1.00 0.00 O ATOM 0 H GLU A 66 -19.494 7.995 -11.769 1.00 0.00 H new ATOM 0 HA GLU A 66 -18.975 5.709 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.511 8.700 -13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.112 7.522 -15.021 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -20.253 8.558 -15.548 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -20.500 6.860 -15.191 1.00 0.00 H new ATOM 993 N PHE A 67 -16.549 5.239 -13.070 1.00 0.00 N ATOM 994 CA PHE A 67 -15.113 4.880 -12.929 1.00 0.00 C ATOM 995 C PHE A 67 -14.339 5.111 -14.267 1.00 0.00 C ATOM 996 O PHE A 67 -13.208 4.640 -14.440 1.00 0.00 O ATOM 997 CB PHE A 67 -14.979 3.410 -12.436 1.00 0.00 C ATOM 998 CG PHE A 67 -15.654 3.161 -11.079 1.00 0.00 C ATOM 999 CD1 PHE A 67 -15.116 3.700 -9.905 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -16.828 2.406 -10.975 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -15.730 3.493 -8.680 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -17.438 2.200 -9.748 1.00 0.00 C ATOM 1003 CZ PHE A 67 -16.890 2.744 -8.602 1.00 0.00 C ATOM 0 H PHE A 67 -17.137 4.455 -13.353 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.661 5.533 -12.183 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.416 2.743 -13.179 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.922 3.154 -12.361 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.210 4.285 -9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -17.265 1.977 -11.865 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -15.302 3.918 -7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -18.343 1.614 -9.687 1.00 0.00 H new ATOM 0 HZ PHE A 67 -17.367 2.584 -7.646 1.00 0.00 H new ATOM 1013 N ASN A 68 -14.988 5.850 -15.193 1.00 0.00 N ATOM 1014 CA ASN A 68 -14.390 6.374 -16.445 1.00 0.00 C ATOM 1015 C ASN A 68 -13.161 7.271 -16.129 1.00 0.00 C ATOM 1016 O ASN A 68 -12.160 7.268 -16.857 1.00 0.00 O ATOM 1017 CB ASN A 68 -15.500 7.182 -17.195 1.00 0.00 C ATOM 1018 CG ASN A 68 -15.237 7.498 -18.679 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -16.150 7.437 -19.492 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -14.035 7.890 -19.060 1.00 0.00 N ATOM 0 H ASN A 68 -15.970 6.107 -15.089 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.035 5.556 -17.072 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -16.434 6.624 -17.126 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.651 8.124 -16.667 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.866 8.143 -20.034 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.276 7.940 -18.381 1.00 0.00 H new ATOM 1027 N PHE A 69 -13.278 8.030 -15.031 1.00 0.00 N ATOM 1028 CA PHE A 69 -12.246 8.972 -14.565 1.00 0.00 C ATOM 1029 C PHE A 69 -11.088 8.215 -13.854 1.00 0.00 C ATOM 1030 O PHE A 69 -11.350 7.418 -12.938 1.00 0.00 O ATOM 1031 CB PHE A 69 -12.894 10.005 -13.601 1.00 0.00 C ATOM 1032 CG PHE A 69 -14.034 10.811 -14.236 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -15.331 10.290 -14.307 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -13.810 12.082 -14.769 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -16.358 11.011 -14.886 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -14.842 12.803 -15.344 1.00 0.00 C ATOM 1037 CZ PHE A 69 -16.113 12.268 -15.402 1.00 0.00 C ATOM 0 H PHE A 69 -14.103 8.008 -14.432 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.825 9.493 -15.424 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.276 9.481 -12.725 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.125 10.694 -13.251 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.532 9.309 -13.903 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.818 12.508 -14.732 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -17.352 10.591 -14.935 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -14.652 13.786 -15.748 1.00 0.00 H new ATOM 0 HZ PHE A 69 -16.916 12.833 -15.851 1.00 0.00 H new ATOM 1047 N PRO A 70 -9.793 8.431 -14.273 1.00 0.00 N ATOM 1048 CA PRO A 70 -8.625 7.813 -13.599 1.00 0.00 C ATOM 1049 C PRO A 70 -8.449 8.336 -12.146 1.00 0.00 C ATOM 1050 O PRO A 70 -8.089 9.499 -11.921 1.00 0.00 O ATOM 1051 CB PRO A 70 -7.426 8.197 -14.509 1.00 0.00 C ATOM 1052 CG PRO A 70 -7.880 9.431 -15.232 1.00 0.00 C ATOM 1053 CD PRO A 70 -9.372 9.263 -15.436 1.00 0.00 C ATOM 0 HA PRO A 70 -8.730 6.734 -13.485 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.528 8.389 -13.922 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.185 7.395 -15.207 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.663 10.327 -14.651 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.364 9.537 -16.186 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.886 10.224 -15.448 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.594 8.771 -16.383 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.760 7.467 -11.174 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.622 7.791 -9.756 1.00 0.00 C ATOM 1063 C GLY A 71 -8.661 6.538 -8.888 1.00 0.00 C ATOM 1064 O GLY A 71 -9.528 5.676 -9.083 1.00 0.00 O ATOM 0 H GLY A 71 -9.112 6.526 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.682 8.319 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.423 8.467 -9.457 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.712 6.433 -7.938 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.627 5.290 -7.002 1.00 0.00 C ATOM 1070 C LEU A 72 -8.796 5.312 -5.993 1.00 0.00 C ATOM 1071 O LEU A 72 -9.043 6.318 -5.318 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.253 5.265 -6.252 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.012 4.727 -7.047 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.203 3.262 -7.491 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.639 5.645 -8.235 1.00 0.00 C ATOM 0 H LEU A 72 -6.985 7.134 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.702 4.378 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.029 6.280 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.369 4.657 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.167 4.744 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.321 2.930 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.345 2.631 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.079 3.188 -8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.775 5.233 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.481 5.709 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.398 6.641 -7.863 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.505 4.183 -5.908 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.635 3.985 -4.982 1.00 0.00 C ATOM 1089 C LYS A 73 -10.405 2.701 -4.150 1.00 0.00 C ATOM 1090 O LYS A 73 -9.439 1.964 -4.376 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.012 3.956 -5.730 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.198 2.845 -6.799 1.00 0.00 C ATOM 1093 CD LYS A 73 -11.376 3.079 -8.097 1.00 0.00 C ATOM 1094 CE LYS A 73 -11.566 1.976 -9.139 1.00 0.00 C ATOM 1095 NZ LYS A 73 -10.648 2.123 -10.302 1.00 0.00 N ATOM 0 H LYS A 73 -9.311 3.366 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.679 4.838 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.802 3.849 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.158 4.922 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.912 1.886 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.255 2.775 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.664 4.035 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.319 3.150 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.400 1.006 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.597 1.988 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.618 1.231 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.991 2.885 -10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.693 2.356 -9.963 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.280 2.470 -3.161 1.00 0.00 N ATOM 1110 CA ALA A 74 -11.118 1.384 -2.171 1.00 0.00 C ATOM 1111 C ALA A 74 -11.184 -0.026 -2.814 1.00 0.00 C ATOM 1112 O ALA A 74 -12.236 -0.452 -3.296 1.00 0.00 O ATOM 1113 CB ALA A 74 -12.163 1.548 -1.070 1.00 0.00 C ATOM 0 H ALA A 74 -12.122 3.028 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.121 1.464 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.048 0.749 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.027 2.512 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.161 1.500 -1.506 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.029 -0.718 -2.821 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.890 -2.055 -3.420 1.00 0.00 C ATOM 1121 C GLY A 75 -9.350 -2.027 -4.859 1.00 0.00 C ATOM 1122 O GLY A 75 -9.526 -2.999 -5.604 1.00 0.00 O ATOM 0 H GLY A 75 -9.165 -0.363 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.222 -2.654 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.861 -2.550 -3.414 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.679 -0.918 -5.242 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.065 -0.752 -6.585 1.00 0.00 C ATOM 1128 C ASP A 76 -6.559 -1.127 -6.552 1.00 0.00 C ATOM 1129 O ASP A 76 -5.834 -0.696 -5.646 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.231 0.724 -7.058 1.00 0.00 C ATOM 1131 CG ASP A 76 -8.080 0.957 -8.573 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -8.094 -0.011 -9.361 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -8.006 2.143 -8.981 1.00 0.00 O ATOM 0 H ASP A 76 -8.546 -0.112 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.571 -1.419 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.215 1.077 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.495 1.338 -6.539 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.092 -1.919 -7.544 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.648 -2.230 -7.719 1.00 0.00 C ATOM 1140 C ARG A 77 -4.164 -1.932 -9.169 1.00 0.00 C ATOM 1141 O ARG A 77 -4.180 -2.792 -10.051 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.274 -3.688 -7.246 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.351 -4.801 -7.391 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.837 -5.055 -8.829 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.450 -6.388 -8.999 1.00 0.00 N ATOM 1146 CZ ARG A 77 -7.708 -6.694 -8.789 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -8.553 -5.828 -8.342 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -8.111 -7.884 -9.048 1.00 0.00 N ATOM 0 H ARG A 77 -6.695 -2.358 -8.240 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.103 -1.556 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.391 -4.003 -7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.987 -3.635 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.947 -5.731 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.210 -4.536 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.562 -4.289 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.995 -4.957 -9.515 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.837 -7.142 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.249 -4.875 -8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.525 -6.096 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.456 -8.576 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.086 -8.138 -8.890 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.694 -0.693 -9.362 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.159 -0.191 -10.646 1.00 0.00 C ATOM 1164 C TRP A 78 -2.583 1.218 -10.425 1.00 0.00 C ATOM 1165 O TRP A 78 -3.306 2.110 -9.971 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.246 -0.157 -11.770 1.00 0.00 C ATOM 1167 CG TRP A 78 -3.800 0.572 -13.032 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.921 0.127 -13.985 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -4.195 1.894 -13.440 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -2.747 1.088 -14.948 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.519 2.179 -14.635 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -5.057 2.859 -12.903 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.672 3.390 -15.305 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -5.210 4.063 -13.569 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -4.517 4.319 -14.760 1.00 0.00 C ATOM 0 H TRP A 78 -3.672 0.006 -8.620 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.379 -0.875 -10.981 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.520 -1.180 -12.029 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.143 0.324 -11.381 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.437 -0.838 -13.979 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.142 1.005 -15.765 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -5.593 2.667 -11.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.142 3.590 -16.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -5.872 4.815 -13.165 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -4.652 5.268 -15.258 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.277 1.393 -10.723 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.567 2.699 -10.617 1.00 0.00 C ATOM 1188 C CYS A 79 -0.615 3.284 -9.176 1.00 0.00 C ATOM 1189 O CYS A 79 -0.429 4.488 -8.975 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.132 3.710 -11.663 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.202 5.262 -11.806 1.00 0.00 S ATOM 0 H CYS A 79 -0.678 0.633 -11.046 1.00 0.00 H new ATOM 0 HA CYS A 79 0.485 2.521 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.154 3.226 -12.639 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.163 3.944 -11.400 1.00 0.00 H new ATOM 0 HG CYS A 79 0.182 5.648 -10.626 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.852 2.400 -8.177 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.839 2.783 -6.754 1.00 0.00 C ATOM 1199 C LEU A 80 0.609 3.122 -6.354 1.00 0.00 C ATOM 1200 O LEU A 80 1.466 2.242 -6.362 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.433 1.643 -5.838 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.684 1.982 -4.309 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.409 1.881 -3.417 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.369 3.361 -4.158 1.00 0.00 C ATOM 0 H LEU A 80 -1.055 1.413 -8.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.475 3.656 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.381 1.325 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.758 0.788 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.357 1.209 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.665 2.128 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.015 0.866 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.345 2.579 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.531 3.573 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.732 4.133 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.327 3.350 -4.677 1.00 0.00 H new ATOM 1216 N CYS A 81 0.872 4.403 -6.043 1.00 0.00 N ATOM 1217 CA CYS A 81 2.188 4.858 -5.564 1.00 0.00 C ATOM 1218 C CYS A 81 2.560 4.117 -4.260 1.00 0.00 C ATOM 1219 O CYS A 81 1.866 4.258 -3.252 1.00 0.00 O ATOM 1220 CB CYS A 81 2.170 6.386 -5.336 1.00 0.00 C ATOM 1221 SG CYS A 81 1.707 7.351 -6.797 1.00 0.00 S ATOM 0 H CYS A 81 0.181 5.149 -6.116 1.00 0.00 H new ATOM 0 HA CYS A 81 2.941 4.631 -6.319 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.473 6.613 -4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.158 6.704 -5.003 1.00 0.00 H new ATOM 0 HG CYS A 81 1.719 8.617 -6.503 1.00 0.00 H new ATOM 1227 N ALA A 82 3.636 3.299 -4.305 1.00 0.00 N ATOM 1228 CA ALA A 82 4.069 2.457 -3.161 1.00 0.00 C ATOM 1229 C ALA A 82 4.332 3.275 -1.871 1.00 0.00 C ATOM 1230 O ALA A 82 4.253 2.734 -0.778 1.00 0.00 O ATOM 1231 CB ALA A 82 5.307 1.640 -3.540 1.00 0.00 C ATOM 0 H ALA A 82 4.228 3.202 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 82 3.243 1.782 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.613 1.028 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.072 0.995 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.119 2.315 -3.812 1.00 0.00 H new ATOM 1237 N SER A 83 4.657 4.577 -2.029 1.00 0.00 N ATOM 1238 CA SER A 83 4.816 5.529 -0.898 1.00 0.00 C ATOM 1239 C SER A 83 3.502 5.705 -0.076 1.00 0.00 C ATOM 1240 O SER A 83 3.552 5.920 1.135 1.00 0.00 O ATOM 1241 CB SER A 83 5.290 6.900 -1.433 1.00 0.00 C ATOM 1242 OG SER A 83 5.484 7.835 -0.390 1.00 0.00 O ATOM 0 H SER A 83 4.817 5.001 -2.943 1.00 0.00 H new ATOM 0 HA SER A 83 5.564 5.111 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.222 6.772 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.554 7.289 -2.137 1.00 0.00 H new ATOM 0 HG SER A 83 5.785 8.688 -0.767 1.00 0.00 H new ATOM 1248 N ARG A 84 2.334 5.623 -0.757 1.00 0.00 N ATOM 1249 CA ARG A 84 0.988 5.723 -0.116 1.00 0.00 C ATOM 1250 C ARG A 84 0.654 4.467 0.737 1.00 0.00 C ATOM 1251 O ARG A 84 0.057 4.573 1.817 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.107 5.944 -1.200 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.557 6.016 -0.656 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.605 6.295 -1.751 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.433 7.627 -2.353 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.718 7.962 -3.596 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.147 7.086 -4.458 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -2.544 9.182 -3.966 1.00 0.00 N ATOM 0 H ARG A 84 2.292 5.486 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 84 1.008 6.579 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.112 6.869 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.047 5.134 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.800 5.075 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.615 6.798 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.529 5.534 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.605 6.217 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.058 8.360 -1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.270 6.113 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.360 7.373 -5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.191 9.871 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.759 9.460 -4.924 1.00 0.00 H new ATOM 1272 N TRP A 85 1.013 3.277 0.231 1.00 0.00 N ATOM 1273 CA TRP A 85 0.884 2.017 1.001 1.00 0.00 C ATOM 1274 C TRP A 85 1.896 1.981 2.189 1.00 0.00 C ATOM 1275 O TRP A 85 1.510 1.707 3.334 1.00 0.00 O ATOM 1276 CB TRP A 85 1.001 0.776 0.057 1.00 0.00 C ATOM 1277 CG TRP A 85 1.496 -0.481 0.740 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.622 -1.152 0.428 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.922 -1.167 1.874 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.827 -2.166 1.321 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.792 -2.211 2.200 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.229 -0.991 2.652 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.564 -3.074 3.264 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.458 -1.855 3.698 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.436 -2.886 3.999 1.00 0.00 C ATOM 0 H TRP A 85 1.395 3.155 -0.707 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.110 1.976 1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.024 0.576 -0.383 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.676 1.020 -0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.268 -0.922 -0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.632 -2.792 1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.923 -0.193 2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.259 -3.867 3.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.347 -1.734 4.299 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.227 -3.544 4.829 1.00 0.00 H new ATOM 1296 N GLN A 86 3.185 2.234 1.883 1.00 0.00 N ATOM 1297 CA GLN A 86 4.270 2.381 2.891 1.00 0.00 C ATOM 1298 C GLN A 86 3.856 3.354 4.047 1.00 0.00 C ATOM 1299 O GLN A 86 4.154 3.130 5.226 1.00 0.00 O ATOM 1300 CB GLN A 86 5.554 2.886 2.167 1.00 0.00 C ATOM 1301 CG GLN A 86 6.863 2.908 2.993 1.00 0.00 C ATOM 1302 CD GLN A 86 7.079 1.680 3.878 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.665 0.698 3.476 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.607 1.727 5.095 1.00 0.00 N ATOM 0 H GLN A 86 3.511 2.344 0.923 1.00 0.00 H new ATOM 0 HA GLN A 86 4.464 1.413 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.717 2.260 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.364 3.897 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.707 3.000 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.865 3.798 3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.116 2.560 5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.729 0.931 5.721 1.00 0.00 H new ATOM 1313 N GLU A 87 3.118 4.417 3.665 1.00 0.00 N ATOM 1314 CA GLU A 87 2.509 5.401 4.597 1.00 0.00 C ATOM 1315 C GLU A 87 1.523 4.740 5.593 1.00 0.00 C ATOM 1316 O GLU A 87 1.560 5.032 6.793 1.00 0.00 O ATOM 1317 CB GLU A 87 1.774 6.495 3.769 1.00 0.00 C ATOM 1318 CG GLU A 87 1.016 7.569 4.578 1.00 0.00 C ATOM 1319 CD GLU A 87 1.925 8.471 5.428 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.779 9.180 4.848 1.00 0.00 O ATOM 1321 OE2 GLU A 87 1.771 8.507 6.670 1.00 0.00 O ATOM 0 H GLU A 87 2.923 4.623 2.685 1.00 0.00 H new ATOM 0 HA GLU A 87 3.310 5.844 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.507 6.996 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.064 6.002 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.445 8.192 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.297 7.076 5.232 1.00 0.00 H new ATOM 1328 N ALA A 88 0.668 3.834 5.087 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.419 3.221 5.876 1.00 0.00 C ATOM 1330 C ALA A 88 0.119 2.246 6.936 1.00 0.00 C ATOM 1331 O ALA A 88 -0.433 2.156 8.045 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.403 2.509 4.947 1.00 0.00 C ATOM 0 H ALA A 88 0.709 3.506 4.122 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.936 4.021 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.201 2.060 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.830 3.229 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.881 1.730 4.392 1.00 0.00 H new ATOM 1338 N PHE A 89 1.194 1.515 6.581 1.00 0.00 N ATOM 1339 CA PHE A 89 1.858 0.578 7.505 1.00 0.00 C ATOM 1340 C PHE A 89 2.515 1.331 8.681 1.00 0.00 C ATOM 1341 O PHE A 89 2.271 1.008 9.846 1.00 0.00 O ATOM 1342 CB PHE A 89 2.894 -0.300 6.762 1.00 0.00 C ATOM 1343 CG PHE A 89 3.505 -1.400 7.642 1.00 0.00 C ATOM 1344 CD1 PHE A 89 2.852 -2.621 7.815 1.00 0.00 C ATOM 1345 CD2 PHE A 89 4.717 -1.206 8.322 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.384 -3.605 8.626 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.247 -2.192 9.135 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.580 -3.391 9.287 1.00 0.00 C ATOM 0 H PHE A 89 1.622 1.557 5.656 1.00 0.00 H new ATOM 0 HA PHE A 89 1.093 -0.082 7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.415 -0.761 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.693 0.337 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.916 -2.800 7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.245 -0.271 8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.864 -4.544 8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.181 -2.024 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.992 -4.162 9.922 1.00 0.00 H new ATOM 1358 N GLU A 90 3.341 2.342 8.360 1.00 0.00 N ATOM 1359 CA GLU A 90 4.050 3.163 9.377 1.00 0.00 C ATOM 1360 C GLU A 90 3.076 4.047 10.211 1.00 0.00 C ATOM 1361 O GLU A 90 3.406 4.455 11.328 1.00 0.00 O ATOM 1362 CB GLU A 90 5.136 4.025 8.692 1.00 0.00 C ATOM 1363 CG GLU A 90 6.252 3.213 8.002 1.00 0.00 C ATOM 1364 CD GLU A 90 7.333 4.100 7.353 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.179 4.484 6.172 1.00 0.00 O ATOM 1366 OE2 GLU A 90 8.335 4.428 8.025 1.00 0.00 O ATOM 0 H GLU A 90 3.540 2.617 7.398 1.00 0.00 H new ATOM 0 HA GLU A 90 4.526 2.481 10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.659 4.667 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.587 4.679 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.721 2.556 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.809 2.574 7.239 1.00 0.00 H new ATOM 1373 N ALA A 91 1.879 4.332 9.656 1.00 0.00 N ATOM 1374 CA ALA A 91 0.778 5.010 10.392 1.00 0.00 C ATOM 1375 C ALA A 91 0.118 4.062 11.430 1.00 0.00 C ATOM 1376 O ALA A 91 -0.514 4.517 12.390 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.273 5.539 9.401 1.00 0.00 C ATOM 0 H ALA A 91 1.644 4.102 8.690 1.00 0.00 H new ATOM 0 HA ALA A 91 1.206 5.850 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.074 6.033 9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.194 6.251 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.685 4.708 8.829 1.00 0.00 H new ATOM 1383 N GLY A 92 0.272 2.739 11.210 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.251 1.709 12.126 1.00 0.00 C ATOM 1385 C GLY A 92 -1.538 1.039 11.644 1.00 0.00 C ATOM 1386 O GLY A 92 -2.020 0.096 12.280 1.00 0.00 O ATOM 0 H GLY A 92 0.759 2.359 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.512 0.944 12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.433 2.163 13.100 1.00 0.00 H new ATOM 1390 N MET A 93 -2.100 1.517 10.518 1.00 0.00 N ATOM 1391 CA MET A 93 -3.341 0.948 9.942 1.00 0.00 C ATOM 1392 C MET A 93 -3.008 -0.322 9.124 1.00 0.00 C ATOM 1393 O MET A 93 -3.323 -1.439 9.546 1.00 0.00 O ATOM 1394 CB MET A 93 -4.067 1.986 9.048 1.00 0.00 C ATOM 1395 CG MET A 93 -4.343 3.341 9.710 1.00 0.00 C ATOM 1396 SD MET A 93 -5.443 4.355 8.714 1.00 0.00 S ATOM 1397 CE MET A 93 -6.985 3.447 8.852 1.00 0.00 C ATOM 0 H MET A 93 -1.716 2.298 9.985 1.00 0.00 H new ATOM 0 HA MET A 93 -4.009 0.682 10.761 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.468 2.153 8.153 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.016 1.560 8.721 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.785 3.182 10.694 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.402 3.869 9.865 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.223 2.986 7.893 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.884 2.673 9.612 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.786 4.131 9.134 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.340 -0.105 7.970 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.894 -1.160 7.037 1.00 0.00 C ATOM 1409 C ALA A 94 -3.052 -2.063 6.520 1.00 0.00 C ATOM 1410 O ALA A 94 -3.444 -3.021 7.189 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.753 -1.994 7.648 1.00 0.00 C ATOM 0 H ALA A 94 -2.090 0.832 7.655 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.509 -0.645 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.445 -2.763 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.094 -1.345 7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.099 -2.466 8.568 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.672 -1.711 5.356 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.533 -2.650 4.575 1.00 0.00 C ATOM 1419 C PRO A 95 -3.837 -3.995 4.184 1.00 0.00 C ATOM 1420 O PRO A 95 -2.607 -4.090 4.193 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.842 -1.822 3.305 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.823 -0.404 3.778 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.680 -0.346 4.763 1.00 0.00 C ATOM 0 HA PRO A 95 -5.400 -2.970 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.097 -1.992 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.811 -2.088 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.668 0.288 2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.767 -0.131 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.735 -0.116 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.840 0.421 5.521 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.617 -5.075 3.864 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.064 -6.256 3.152 1.00 0.00 C ATOM 1433 C PRO A 96 -3.639 -5.884 1.700 1.00 0.00 C ATOM 1434 O PRO A 96 -4.482 -5.555 0.858 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.228 -7.288 3.188 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.472 -6.458 3.369 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.058 -5.261 4.205 1.00 0.00 C ATOM 0 HA PRO A 96 -3.158 -6.652 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.270 -7.869 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.103 -7.997 4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.873 -6.142 2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.254 -7.031 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.646 -4.377 3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.197 -5.448 5.270 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.319 -5.887 1.442 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.752 -5.596 0.104 1.00 0.00 C ATOM 1447 C VAL A 97 -1.493 -6.916 -0.667 1.00 0.00 C ATOM 1448 O VAL A 97 -1.394 -7.994 -0.073 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.409 -4.767 0.243 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.667 -5.565 1.017 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.148 -4.280 -1.128 1.00 0.00 C ATOM 0 H VAL A 97 -1.613 -6.090 2.150 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.471 -4.999 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.661 -3.875 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.576 -4.969 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.299 -5.798 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.885 -6.491 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.068 -3.718 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.354 -5.141 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.588 -3.639 -1.613 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.441 -6.828 -1.993 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.029 -7.950 -2.860 1.00 0.00 C ATOM 1463 C VAL A 98 0.505 -8.190 -2.777 1.00 0.00 C ATOM 1464 O VAL A 98 1.279 -7.261 -2.548 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.442 -7.689 -4.358 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.980 -7.638 -4.512 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.804 -6.385 -4.897 1.00 0.00 C ATOM 0 H VAL A 98 -1.682 -5.980 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.544 -8.841 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.065 -8.523 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.235 -7.457 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.409 -8.588 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.381 -6.834 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.108 -6.232 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.137 -5.541 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.282 -6.463 -4.845 1.00 0.00 H new ATOM 1477 N LEU A 99 0.931 -9.455 -2.909 1.00 0.00 N ATOM 1478 CA LEU A 99 2.364 -9.802 -3.116 1.00 0.00 C ATOM 1479 C LEU A 99 2.586 -10.209 -4.597 1.00 0.00 C ATOM 1480 O LEU A 99 3.666 -10.010 -5.162 1.00 0.00 O ATOM 1481 CB LEU A 99 2.838 -10.975 -2.190 1.00 0.00 C ATOM 1482 CG LEU A 99 2.314 -10.996 -0.705 1.00 0.00 C ATOM 1483 CD1 LEU A 99 0.905 -11.645 -0.612 1.00 0.00 C ATOM 1484 CD2 LEU A 99 3.316 -11.702 0.242 1.00 0.00 C ATOM 0 H LEU A 99 0.310 -10.263 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 99 2.951 -8.920 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.546 -11.913 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.927 -10.959 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 99 2.226 -9.960 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.572 -11.644 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.201 -11.076 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.952 -12.671 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.921 -11.698 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.463 -12.731 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.270 -11.175 0.221 1.00 0.00 H new ATOM 1496 N GLN A 100 1.520 -10.782 -5.196 1.00 0.00 N ATOM 1497 CA GLN A 100 1.540 -11.394 -6.551 1.00 0.00 C ATOM 1498 C GLN A 100 1.427 -10.353 -7.698 1.00 0.00 C ATOM 1499 O GLN A 100 1.680 -10.688 -8.860 1.00 0.00 O ATOM 1500 CB GLN A 100 0.381 -12.426 -6.656 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.031 -11.834 -6.417 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.156 -12.864 -6.530 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.968 -14.045 -6.259 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.334 -12.423 -6.918 1.00 0.00 N ATOM 0 H GLN A 100 0.605 -10.835 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 100 2.507 -11.881 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.407 -12.883 -7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.554 -13.223 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.063 -11.381 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.207 -11.036 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.462 -11.435 -7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.119 -13.069 -7.000 1.00 0.00 H new ATOM 1513 N SER A 101 1.032 -9.106 -7.373 1.00 0.00 N ATOM 1514 CA SER A 101 0.866 -8.021 -8.386 1.00 0.00 C ATOM 1515 C SER A 101 1.797 -6.821 -8.099 1.00 0.00 C ATOM 1516 O SER A 101 2.113 -6.044 -9.012 1.00 0.00 O ATOM 1517 CB SER A 101 -0.611 -7.561 -8.444 1.00 0.00 C ATOM 1518 OG SER A 101 -0.834 -6.586 -9.461 1.00 0.00 O ATOM 0 H SER A 101 0.820 -8.816 -6.419 1.00 0.00 H new ATOM 0 HA SER A 101 1.149 -8.429 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.251 -8.424 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.899 -7.147 -7.478 1.00 0.00 H new ATOM 0 HG SER A 101 -1.779 -6.326 -9.463 1.00 0.00 H new ATOM 1524 N THR A 102 2.200 -6.654 -6.823 1.00 0.00 N ATOM 1525 CA THR A 102 3.218 -5.647 -6.427 1.00 0.00 C ATOM 1526 C THR A 102 4.592 -5.955 -7.079 1.00 0.00 C ATOM 1527 O THR A 102 5.276 -6.907 -6.690 1.00 0.00 O ATOM 1528 CB THR A 102 3.364 -5.566 -4.870 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.102 -5.232 -4.283 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.387 -4.516 -4.429 1.00 0.00 C ATOM 0 H THR A 102 1.837 -7.203 -6.044 1.00 0.00 H new ATOM 0 HA THR A 102 2.873 -4.678 -6.788 1.00 0.00 H new ATOM 0 HB THR A 102 3.710 -6.544 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.853 -5.919 -3.630 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.448 -4.502 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.364 -4.763 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.078 -3.534 -4.788 1.00 0.00 H new ATOM 1538 N GLU A 103 4.953 -5.142 -8.092 1.00 0.00 N ATOM 1539 CA GLU A 103 6.194 -5.307 -8.893 1.00 0.00 C ATOM 1540 C GLU A 103 7.440 -4.811 -8.090 1.00 0.00 C ATOM 1541 O GLU A 103 7.299 -4.035 -7.139 1.00 0.00 O ATOM 1542 CB GLU A 103 6.024 -4.547 -10.267 1.00 0.00 C ATOM 1543 CG GLU A 103 6.559 -5.288 -11.519 1.00 0.00 C ATOM 1544 CD GLU A 103 8.093 -5.377 -11.582 1.00 0.00 C ATOM 1545 OE1 GLU A 103 8.746 -4.325 -11.735 1.00 0.00 O ATOM 1546 OE2 GLU A 103 8.646 -6.490 -11.452 1.00 0.00 O ATOM 0 H GLU A 103 4.390 -4.343 -8.384 1.00 0.00 H new ATOM 0 HA GLU A 103 6.363 -6.363 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.965 -4.339 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.531 -3.585 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.145 -6.296 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.197 -4.779 -12.413 1.00 0.00 H new ATOM 1553 N LYS A 104 8.643 -5.261 -8.498 1.00 0.00 N ATOM 1554 CA LYS A 104 9.932 -4.992 -7.792 1.00 0.00 C ATOM 1555 C LYS A 104 10.264 -3.487 -7.625 1.00 0.00 C ATOM 1556 O LYS A 104 11.033 -3.130 -6.721 1.00 0.00 O ATOM 1557 CB LYS A 104 11.116 -5.708 -8.513 1.00 0.00 C ATOM 1558 CG LYS A 104 11.231 -7.234 -8.252 1.00 0.00 C ATOM 1559 CD LYS A 104 10.050 -8.063 -8.813 1.00 0.00 C ATOM 1560 CE LYS A 104 10.178 -9.561 -8.504 1.00 0.00 C ATOM 1561 NZ LYS A 104 9.022 -10.334 -9.022 1.00 0.00 N ATOM 0 H LYS A 104 8.759 -5.830 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 104 9.798 -5.395 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.016 -5.547 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.047 -5.233 -8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.159 -7.598 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.302 -7.403 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.117 -7.688 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.993 -7.922 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.098 -9.945 -8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.257 -9.704 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.147 -11.341 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.146 -9.985 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.962 -10.219 -10.054 1.00 0.00 H new ATOM 1575 N SER A 105 9.695 -2.614 -8.488 1.00 0.00 N ATOM 1576 CA SER A 105 9.886 -1.141 -8.375 1.00 0.00 C ATOM 1577 C SER A 105 9.390 -0.604 -7.009 1.00 0.00 C ATOM 1578 O SER A 105 9.936 0.367 -6.476 1.00 0.00 O ATOM 1579 CB SER A 105 9.121 -0.411 -9.492 1.00 0.00 C ATOM 1580 OG SER A 105 9.348 -0.990 -10.761 1.00 0.00 O ATOM 0 H SER A 105 9.102 -2.898 -9.268 1.00 0.00 H new ATOM 0 HA SER A 105 10.956 -0.951 -8.465 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.054 -0.430 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.423 0.636 -9.513 1.00 0.00 H new ATOM 0 HG SER A 105 8.527 -1.424 -11.074 1.00 0.00 H new ATOM 1586 N ALA A 106 8.341 -1.255 -6.466 1.00 0.00 N ATOM 1587 CA ALA A 106 7.744 -0.898 -5.161 1.00 0.00 C ATOM 1588 C ALA A 106 8.746 -0.997 -4.001 1.00 0.00 C ATOM 1589 O ALA A 106 8.738 -0.157 -3.110 1.00 0.00 O ATOM 1590 CB ALA A 106 6.535 -1.782 -4.880 1.00 0.00 C ATOM 0 H ALA A 106 7.883 -2.045 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 106 7.435 0.145 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.102 -1.511 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.791 -1.641 -5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.845 -2.827 -4.858 1.00 0.00 H new ATOM 1596 N LEU A 107 9.645 -1.998 -4.064 1.00 0.00 N ATOM 1597 CA LEU A 107 10.673 -2.286 -3.013 1.00 0.00 C ATOM 1598 C LEU A 107 11.738 -1.157 -2.859 1.00 0.00 C ATOM 1599 O LEU A 107 12.695 -1.305 -2.096 1.00 0.00 O ATOM 1600 CB LEU A 107 11.365 -3.662 -3.299 1.00 0.00 C ATOM 1601 CG LEU A 107 10.559 -4.953 -2.911 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.206 -5.060 -3.653 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.418 -6.222 -3.132 1.00 0.00 C ATOM 0 H LEU A 107 9.689 -2.645 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 107 10.142 -2.332 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.595 -3.712 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.316 -3.682 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 107 10.323 -4.871 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.693 -5.971 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.588 -4.196 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.382 -5.088 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.841 -7.105 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.705 -6.289 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.314 -6.167 -2.513 1.00 0.00 H new ATOM 1615 N ARG A 108 11.552 -0.041 -3.579 1.00 0.00 N ATOM 1616 CA ARG A 108 12.406 1.162 -3.477 1.00 0.00 C ATOM 1617 C ARG A 108 11.743 2.222 -2.567 1.00 0.00 C ATOM 1618 O ARG A 108 12.418 3.075 -1.977 1.00 0.00 O ATOM 1619 CB ARG A 108 12.652 1.731 -4.896 1.00 0.00 C ATOM 1620 CG ARG A 108 13.270 0.709 -5.882 1.00 0.00 C ATOM 1621 CD ARG A 108 13.892 1.372 -7.115 1.00 0.00 C ATOM 1622 NE ARG A 108 15.032 2.233 -6.738 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.874 2.788 -7.567 1.00 0.00 C ATOM 1624 NH1 ARG A 108 15.780 2.610 -8.847 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.829 3.516 -7.103 1.00 0.00 N ATOM 0 H ARG A 108 10.797 0.057 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 108 13.362 0.892 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.706 2.088 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.313 2.595 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.033 0.128 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.499 0.009 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.227 0.605 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.138 1.967 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 108 15.173 2.409 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.036 2.025 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.450 3.055 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.922 3.654 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.493 3.954 -7.742 1.00 0.00 H new ATOM 1639 N TYR A 109 10.404 2.157 -2.493 1.00 0.00 N ATOM 1640 CA TYR A 109 9.566 3.020 -1.637 1.00 0.00 C ATOM 1641 C TYR A 109 9.281 2.262 -0.329 1.00 0.00 C ATOM 1642 O TYR A 109 9.516 2.772 0.773 1.00 0.00 O ATOM 1643 CB TYR A 109 8.236 3.364 -2.369 1.00 0.00 C ATOM 1644 CG TYR A 109 8.404 3.919 -3.798 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.826 3.092 -4.852 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.148 5.261 -4.099 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.985 3.579 -6.133 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.304 5.747 -5.385 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.727 4.906 -6.397 1.00 0.00 C ATOM 1650 OH TYR A 109 8.885 5.396 -7.679 1.00 0.00 O ATOM 0 H TYR A 109 9.859 1.489 -3.038 1.00 0.00 H new ATOM 0 HA TYR A 109 10.082 3.955 -1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.621 2.465 -2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.689 4.095 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.031 2.050 -4.655 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.823 5.929 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.311 2.922 -6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.095 6.785 -5.598 1.00 0.00 H new ATOM 0 HH TYR A 109 8.661 6.350 -7.695 1.00 0.00 H new ATOM 1660 N VAL A 110 8.763 1.025 -0.482 1.00 0.00 N ATOM 1661 CA VAL A 110 8.613 0.059 0.622 1.00 0.00 C ATOM 1662 C VAL A 110 9.858 -0.846 0.758 1.00 0.00 C ATOM 1663 O VAL A 110 10.908 -0.612 0.159 1.00 0.00 O ATOM 1664 CB VAL A 110 7.350 -0.885 0.438 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.043 -0.132 0.372 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.460 -1.779 -0.791 1.00 0.00 C ATOM 0 H VAL A 110 8.436 0.669 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 110 8.484 0.665 1.519 1.00 0.00 H new ATOM 0 HB VAL A 110 7.347 -1.504 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.222 -0.838 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.900 0.430 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.062 0.557 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.570 -2.403 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.548 -1.160 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.341 -2.414 -0.701 1.00 0.00 H new ATOM 1676 N SER A 111 9.713 -1.851 1.617 1.00 0.00 N ATOM 1677 CA SER A 111 10.488 -3.098 1.580 1.00 0.00 C ATOM 1678 C SER A 111 9.525 -4.253 1.261 1.00 0.00 C ATOM 1679 O SER A 111 8.308 -4.115 1.420 1.00 0.00 O ATOM 1680 CB SER A 111 11.160 -3.325 2.940 1.00 0.00 C ATOM 1681 OG SER A 111 11.929 -4.518 2.958 1.00 0.00 O ATOM 0 H SER A 111 9.037 -1.825 2.380 1.00 0.00 H new ATOM 0 HA SER A 111 11.264 -3.044 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.802 -2.476 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.398 -3.372 3.718 1.00 0.00 H new ATOM 0 HG SER A 111 12.343 -4.627 3.840 1.00 0.00 H new ATOM 1687 N LEU A 112 10.064 -5.385 0.806 1.00 0.00 N ATOM 1688 CA LEU A 112 9.294 -6.645 0.698 1.00 0.00 C ATOM 1689 C LEU A 112 8.632 -7.007 2.049 1.00 0.00 C ATOM 1690 O LEU A 112 7.484 -7.448 2.086 1.00 0.00 O ATOM 1691 CB LEU A 112 10.223 -7.784 0.178 1.00 0.00 C ATOM 1692 CG LEU A 112 9.767 -9.284 0.394 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.309 -10.204 -0.720 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.217 -9.826 1.783 1.00 0.00 C ATOM 0 H LEU A 112 11.035 -5.465 0.503 1.00 0.00 H new ATOM 0 HA LEU A 112 8.486 -6.512 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.368 -7.632 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.197 -7.661 0.653 1.00 0.00 H new ATOM 0 HG LEU A 112 8.678 -9.288 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.977 -11.227 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.935 -9.865 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.399 -10.171 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.886 -10.858 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.304 -9.783 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.777 -9.216 2.572 1.00 0.00 H new ATOM 1706 N ALA A 113 9.382 -6.791 3.147 1.00 0.00 N ATOM 1707 CA ALA A 113 8.910 -7.058 4.526 1.00 0.00 C ATOM 1708 C ALA A 113 7.637 -6.252 4.881 1.00 0.00 C ATOM 1709 O ALA A 113 6.815 -6.712 5.669 1.00 0.00 O ATOM 1710 CB ALA A 113 10.033 -6.746 5.525 1.00 0.00 C ATOM 0 H ALA A 113 10.334 -6.426 3.106 1.00 0.00 H new ATOM 0 HA ALA A 113 8.644 -8.113 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.684 -6.943 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.896 -7.376 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.317 -5.697 5.437 1.00 0.00 H new ATOM 1716 N ASP A 114 7.487 -5.050 4.277 1.00 0.00 N ATOM 1717 CA ASP A 114 6.312 -4.175 4.476 1.00 0.00 C ATOM 1718 C ASP A 114 5.043 -4.837 3.885 1.00 0.00 C ATOM 1719 O ASP A 114 3.964 -4.813 4.491 1.00 0.00 O ATOM 1720 CB ASP A 114 6.583 -2.803 3.800 1.00 0.00 C ATOM 1721 CG ASP A 114 5.698 -1.682 4.353 1.00 0.00 C ATOM 1722 OD1 ASP A 114 6.045 -1.157 5.432 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.682 -1.320 3.721 1.00 0.00 O ATOM 0 H ASP A 114 8.180 -4.661 3.637 1.00 0.00 H new ATOM 0 HA ASP A 114 6.144 -4.023 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.630 -2.535 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.418 -2.894 2.726 1.00 0.00 H new ATOM 1728 N LEU A 115 5.236 -5.488 2.720 1.00 0.00 N ATOM 1729 CA LEU A 115 4.171 -6.153 1.954 1.00 0.00 C ATOM 1730 C LEU A 115 3.702 -7.436 2.671 1.00 0.00 C ATOM 1731 O LEU A 115 2.517 -7.613 2.971 1.00 0.00 O ATOM 1732 CB LEU A 115 4.710 -6.509 0.538 1.00 0.00 C ATOM 1733 CG LEU A 115 5.480 -5.366 -0.198 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.089 -5.829 -1.519 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.594 -4.147 -0.432 1.00 0.00 C ATOM 0 H LEU A 115 6.153 -5.566 2.281 1.00 0.00 H new ATOM 0 HA LEU A 115 3.320 -5.477 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.372 -7.370 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.870 -6.816 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 115 6.297 -5.081 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.613 -4.997 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.792 -6.640 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.298 -6.181 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.166 -3.375 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.738 -4.432 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.244 -3.762 0.526 1.00 0.00 H new ATOM 1747 N GLN A 116 4.685 -8.303 2.974 1.00 0.00 N ATOM 1748 CA GLN A 116 4.453 -9.651 3.540 1.00 0.00 C ATOM 1749 C GLN A 116 3.936 -9.599 4.989 1.00 0.00 C ATOM 1750 O GLN A 116 3.257 -10.525 5.446 1.00 0.00 O ATOM 1751 CB GLN A 116 5.762 -10.477 3.464 1.00 0.00 C ATOM 1752 CG GLN A 116 6.407 -10.505 2.059 1.00 0.00 C ATOM 1753 CD GLN A 116 7.291 -11.734 1.798 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.895 -12.284 2.713 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.396 -12.162 0.546 1.00 0.00 N ATOM 0 H GLN A 116 5.672 -8.089 2.833 1.00 0.00 H new ATOM 0 HA GLN A 116 3.676 -10.131 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.480 -10.067 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.553 -11.500 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.618 -10.473 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.008 -9.605 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.884 -11.689 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.988 -12.964 0.329 1.00 0.00 H new ATOM 1764 N ALA A 117 4.297 -8.512 5.692 1.00 0.00 N ATOM 1765 CA ALA A 117 3.852 -8.240 7.079 1.00 0.00 C ATOM 1766 C ALA A 117 2.313 -8.357 7.266 1.00 0.00 C ATOM 1767 O ALA A 117 1.849 -9.099 8.138 1.00 0.00 O ATOM 1768 CB ALA A 117 4.320 -6.848 7.518 1.00 0.00 C ATOM 0 H ALA A 117 4.910 -7.789 5.315 1.00 0.00 H new ATOM 0 HA ALA A 117 4.306 -9.008 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.988 -6.658 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.408 -6.800 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.897 -6.095 6.853 1.00 0.00 H new ATOM 1774 N HIS A 118 1.528 -7.617 6.449 1.00 0.00 N ATOM 1775 CA HIS A 118 0.048 -7.585 6.597 1.00 0.00 C ATOM 1776 C HIS A 118 -0.666 -8.510 5.583 1.00 0.00 C ATOM 1777 O HIS A 118 -1.862 -8.786 5.731 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.496 -6.129 6.482 1.00 0.00 C ATOM 1779 CG HIS A 118 -1.827 -5.956 7.173 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -3.031 -6.241 6.565 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -2.132 -5.605 8.446 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -4.011 -6.078 7.427 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -3.494 -5.694 8.571 1.00 0.00 N ATOM 0 H HIS A 118 1.886 -7.039 5.688 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.174 -7.964 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.228 -5.438 6.915 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.599 -5.864 5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.434 -5.311 9.216 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.061 -6.233 7.228 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -4.023 -5.493 9.420 1.00 0.00 H new ATOM 1792 N ALA A 119 0.053 -8.972 4.544 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.518 -9.875 3.524 1.00 0.00 C ATOM 1794 C ALA A 119 -0.350 -11.366 3.940 1.00 0.00 C ATOM 1795 O ALA A 119 -1.183 -11.890 4.692 1.00 0.00 O ATOM 1796 CB ALA A 119 0.109 -9.569 2.163 1.00 0.00 C ATOM 0 H ALA A 119 1.033 -8.735 4.387 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.591 -9.702 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.312 -10.235 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.100 -8.535 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.187 -9.719 2.217 1.00 0.00 H new ATOM 1802 N LEU A 120 0.740 -12.040 3.485 1.00 0.00 N ATOM 1803 CA LEU A 120 1.044 -13.448 3.850 1.00 0.00 C ATOM 1804 C LEU A 120 2.560 -13.685 4.073 1.00 0.00 C ATOM 1805 O LEU A 120 3.400 -12.922 3.587 1.00 0.00 O ATOM 1806 CB LEU A 120 0.556 -14.449 2.755 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.962 -14.785 2.702 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -1.207 -15.911 1.684 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -1.519 -15.164 4.097 1.00 0.00 C ATOM 0 H LEU A 120 1.429 -11.624 2.858 1.00 0.00 H new ATOM 0 HA LEU A 120 0.509 -13.627 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.844 -14.048 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.101 -15.383 2.889 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.498 -13.892 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.271 -16.144 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.873 -15.589 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.650 -16.799 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.582 -15.391 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.989 -16.038 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.378 -14.329 4.784 1.00 0.00 H new ATOM 1821 N PRO A 121 2.907 -14.788 4.819 1.00 0.00 N ATOM 1822 CA PRO A 121 4.277 -15.373 4.846 1.00 0.00 C ATOM 1823 C PRO A 121 4.788 -15.803 3.444 1.00 0.00 C ATOM 1824 O PRO A 121 4.004 -16.270 2.602 1.00 0.00 O ATOM 1825 CB PRO A 121 4.095 -16.627 5.754 1.00 0.00 C ATOM 1826 CG PRO A 121 2.931 -16.291 6.630 1.00 0.00 C ATOM 1827 CD PRO A 121 1.995 -15.511 5.750 1.00 0.00 C ATOM 0 HA PRO A 121 5.016 -14.654 5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.900 -17.521 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.991 -16.824 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.453 -17.192 7.014 1.00 0.00 H new ATOM 0 HG3 PRO A 121 3.243 -15.703 7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.311 -16.167 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.383 -14.819 6.329 1.00 0.00 H new ATOM 1835 N VAL A 122 6.101 -15.640 3.201 1.00 0.00 N ATOM 1836 CA VAL A 122 6.762 -16.215 2.013 1.00 0.00 C ATOM 1837 C VAL A 122 7.024 -17.726 2.235 1.00 0.00 C ATOM 1838 O VAL A 122 7.539 -18.121 3.287 1.00 0.00 O ATOM 1839 CB VAL A 122 8.108 -15.455 1.671 1.00 0.00 C ATOM 1840 CG1 VAL A 122 9.108 -15.450 2.860 1.00 0.00 C ATOM 1841 CG2 VAL A 122 8.765 -16.015 0.382 1.00 0.00 C ATOM 0 H VAL A 122 6.727 -15.114 3.812 1.00 0.00 H new ATOM 0 HA VAL A 122 6.096 -16.092 1.159 1.00 0.00 H new ATOM 0 HB VAL A 122 7.839 -14.415 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.013 -14.916 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.652 -14.954 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 122 9.361 -16.476 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 122 9.687 -15.470 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 122 8.991 -17.072 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.079 -15.896 -0.457 1.00 0.00 H new ATOM 1851 N LEU A 123 6.615 -18.570 1.271 1.00 0.00 N ATOM 1852 CA LEU A 123 6.935 -20.009 1.299 1.00 0.00 C ATOM 1853 C LEU A 123 8.419 -20.179 0.882 1.00 0.00 C ATOM 1854 O LEU A 123 8.765 -20.052 -0.299 1.00 0.00 O ATOM 1855 CB LEU A 123 5.972 -20.815 0.368 1.00 0.00 C ATOM 1856 CG LEU A 123 5.740 -22.336 0.718 1.00 0.00 C ATOM 1857 CD1 LEU A 123 4.700 -22.978 -0.225 1.00 0.00 C ATOM 1858 CD2 LEU A 123 7.050 -23.163 0.708 1.00 0.00 C ATOM 0 H LEU A 123 6.063 -18.281 0.464 1.00 0.00 H new ATOM 0 HA LEU A 123 6.794 -20.408 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.003 -20.316 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 123 6.358 -20.757 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 123 5.353 -22.353 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.564 -24.026 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.750 -22.452 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 123 5.051 -22.910 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.827 -24.201 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.503 -23.116 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.743 -22.755 1.444 1.00 0.00 H new ATOM 1870 N GLU A 124 9.278 -20.445 1.874 1.00 0.00 N ATOM 1871 CA GLU A 124 10.730 -20.585 1.684 1.00 0.00 C ATOM 1872 C GLU A 124 11.335 -21.549 2.735 1.00 0.00 C ATOM 1873 O GLU A 124 10.907 -21.563 3.895 1.00 0.00 O ATOM 1874 CB GLU A 124 11.409 -19.192 1.785 1.00 0.00 C ATOM 1875 CG GLU A 124 12.914 -19.216 1.494 1.00 0.00 C ATOM 1876 CD GLU A 124 13.597 -17.849 1.629 1.00 0.00 C ATOM 1877 OE1 GLU A 124 13.660 -17.104 0.635 1.00 0.00 O ATOM 1878 OE2 GLU A 124 14.074 -17.517 2.736 1.00 0.00 O ATOM 0 H GLU A 124 8.983 -20.571 2.842 1.00 0.00 H new ATOM 0 HA GLU A 124 10.911 -21.005 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.924 -18.510 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.248 -18.791 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.394 -19.919 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.072 -19.592 0.483 1.00 0.00 H new ATOM 1885 N HIS A 125 12.334 -22.353 2.317 1.00 0.00 N ATOM 1886 CA HIS A 125 13.113 -23.212 3.232 1.00 0.00 C ATOM 1887 C HIS A 125 14.067 -22.339 4.086 1.00 0.00 C ATOM 1888 O HIS A 125 14.945 -21.653 3.545 1.00 0.00 O ATOM 1889 CB HIS A 125 13.892 -24.288 2.437 1.00 0.00 C ATOM 1890 CG HIS A 125 12.996 -25.183 1.623 1.00 0.00 C ATOM 1891 ND1 HIS A 125 12.964 -25.163 0.249 1.00 0.00 N ATOM 1892 CD2 HIS A 125 12.088 -26.117 2.001 1.00 0.00 C ATOM 1893 CE1 HIS A 125 12.074 -26.029 -0.185 1.00 0.00 C ATOM 1894 NE2 HIS A 125 11.528 -26.623 0.854 1.00 0.00 N ATOM 0 H HIS A 125 12.622 -22.425 1.341 1.00 0.00 H new ATOM 0 HA HIS A 125 12.430 -23.732 3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 125 14.605 -23.797 1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.470 -24.897 3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 125 11.850 -26.408 3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 125 11.832 -26.220 -1.220 1.00 0.00 H new ATOM 0 HE2 HIS A 125 10.806 -27.342 0.814 1.00 0.00 H new ATOM 1903 N HIS A 126 13.874 -22.364 5.426 1.00 0.00 N ATOM 1904 CA HIS A 126 14.538 -21.418 6.353 1.00 0.00 C ATOM 1905 C HIS A 126 16.066 -21.654 6.469 1.00 0.00 C ATOM 1906 O HIS A 126 16.830 -20.696 6.614 1.00 0.00 O ATOM 1907 CB HIS A 126 13.868 -21.443 7.757 1.00 0.00 C ATOM 1908 CG HIS A 126 14.106 -22.690 8.577 1.00 0.00 C ATOM 1909 ND1 HIS A 126 15.193 -22.840 9.415 1.00 0.00 N ATOM 1910 CD2 HIS A 126 13.388 -23.832 8.707 1.00 0.00 C ATOM 1911 CE1 HIS A 126 15.136 -24.010 10.011 1.00 0.00 C ATOM 1912 NE2 HIS A 126 14.056 -24.633 9.603 1.00 0.00 N ATOM 0 H HIS A 126 13.260 -23.033 5.891 1.00 0.00 H new ATOM 0 HA HIS A 126 14.407 -20.426 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 126 14.225 -20.584 8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 126 12.793 -21.315 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 126 12.464 -24.069 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 126 15.857 -24.394 10.718 1.00 0.00 H new ATOM 0 HE2 HIS A 126 13.760 -25.562 9.902 1.00 0.00 H new ATOM 1921 N HIS A 127 16.509 -22.931 6.409 1.00 0.00 N ATOM 1922 CA HIS A 127 17.940 -23.272 6.561 1.00 0.00 C ATOM 1923 C HIS A 127 18.706 -23.124 5.220 1.00 0.00 C ATOM 1924 O HIS A 127 18.747 -24.048 4.398 1.00 0.00 O ATOM 1925 CB HIS A 127 18.115 -24.691 7.157 1.00 0.00 C ATOM 1926 CG HIS A 127 19.553 -25.070 7.413 1.00 0.00 C ATOM 1927 ND1 HIS A 127 20.354 -24.403 8.314 1.00 0.00 N ATOM 1928 CD2 HIS A 127 20.340 -26.021 6.855 1.00 0.00 C ATOM 1929 CE1 HIS A 127 21.564 -24.918 8.298 1.00 0.00 C ATOM 1930 NE2 HIS A 127 21.586 -25.903 7.423 1.00 0.00 N ATOM 0 H HIS A 127 15.901 -23.736 6.258 1.00 0.00 H new ATOM 0 HA HIS A 127 18.375 -22.561 7.263 1.00 0.00 H new ATOM 0 HB2 HIS A 127 17.560 -24.753 8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 127 17.673 -25.418 6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 127 20.044 -26.738 6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 127 22.398 -24.589 8.900 1.00 0.00 H new ATOM 0 HE2 HIS A 127 22.396 -26.483 7.203 1.00 0.00 H new ATOM 1939 N HIS A 128 19.291 -21.935 5.014 1.00 0.00 N ATOM 1940 CA HIS A 128 20.201 -21.655 3.889 1.00 0.00 C ATOM 1941 C HIS A 128 21.652 -21.984 4.314 1.00 0.00 C ATOM 1942 O HIS A 128 22.129 -21.491 5.344 1.00 0.00 O ATOM 1943 CB HIS A 128 20.076 -20.170 3.453 1.00 0.00 C ATOM 1944 CG HIS A 128 18.703 -19.776 2.958 1.00 0.00 C ATOM 1945 ND1 HIS A 128 18.397 -19.622 1.620 1.00 0.00 N ATOM 1946 CD2 HIS A 128 17.557 -19.496 3.629 1.00 0.00 C ATOM 1947 CE1 HIS A 128 17.138 -19.258 1.495 1.00 0.00 C ATOM 1948 NE2 HIS A 128 16.604 -19.176 2.691 1.00 0.00 N ATOM 0 H HIS A 128 19.146 -21.133 5.627 1.00 0.00 H new ATOM 0 HA HIS A 128 19.931 -22.278 3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 128 20.341 -19.533 4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 128 20.803 -19.973 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 128 17.419 -19.520 4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 128 16.629 -19.060 0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 128 15.638 -18.917 2.892 1.00 0.00 H new ATOM 1957 N HIS A 129 22.344 -22.818 3.523 1.00 0.00 N ATOM 1958 CA HIS A 129 23.727 -23.281 3.822 1.00 0.00 C ATOM 1959 C HIS A 129 24.598 -23.309 2.544 1.00 0.00 C ATOM 1960 O HIS A 129 24.137 -22.935 1.463 1.00 0.00 O ATOM 1961 CB HIS A 129 23.681 -24.691 4.473 1.00 0.00 C ATOM 1962 CG HIS A 129 23.147 -25.775 3.565 1.00 0.00 C ATOM 1963 ND1 HIS A 129 23.951 -26.559 2.763 1.00 0.00 N ATOM 1964 CD2 HIS A 129 21.883 -26.195 3.336 1.00 0.00 C ATOM 1965 CE1 HIS A 129 23.208 -27.405 2.083 1.00 0.00 C ATOM 1966 NE2 HIS A 129 21.950 -27.208 2.408 1.00 0.00 N ATOM 0 H HIS A 129 21.968 -23.197 2.654 1.00 0.00 H new ATOM 0 HA HIS A 129 24.180 -22.576 4.519 1.00 0.00 H new ATOM 0 HB2 HIS A 129 24.686 -24.964 4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 129 23.062 -24.645 5.369 1.00 0.00 H new ATOM 0 HD1 HIS A 129 24.967 -26.493 2.706 1.00 0.00 H new ATOM 0 HD2 HIS A 129 20.986 -25.807 3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 129 23.570 -28.138 1.377 1.00 0.00 H new ATOM 1975 N HIS A 130 25.860 -23.764 2.694 1.00 0.00 N ATOM 1976 CA HIS A 130 26.800 -23.953 1.564 1.00 0.00 C ATOM 1977 C HIS A 130 26.370 -25.155 0.660 1.00 0.00 C ATOM 1978 O HIS A 130 26.501 -26.322 1.091 1.00 0.00 O ATOM 1979 CB HIS A 130 28.249 -24.137 2.103 1.00 0.00 C ATOM 1980 CG HIS A 130 29.289 -24.308 1.025 1.00 0.00 C ATOM 1981 ND1 HIS A 130 29.616 -23.310 0.134 1.00 0.00 N ATOM 1982 CD2 HIS A 130 30.071 -25.366 0.692 1.00 0.00 C ATOM 1983 CE1 HIS A 130 30.534 -23.743 -0.699 1.00 0.00 C ATOM 1984 NE2 HIS A 130 30.830 -24.982 -0.384 1.00 0.00 N ATOM 1985 OXT HIS A 130 25.906 -24.927 -0.479 1.00 0.00 O ATOM 0 H HIS A 130 26.258 -24.011 3.600 1.00 0.00 H new ATOM 0 HA HIS A 130 26.775 -23.060 0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 130 28.511 -23.272 2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 130 28.274 -25.008 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 130 30.092 -26.328 1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 130 30.972 -23.175 -1.507 1.00 0.00 H new ATOM 0 HE2 HIS A 130 31.515 -25.566 -0.863 1.00 0.00 H new TER 1994 HIS A 130