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 38 SER OG : rot -48:sc= 1.25 USER MOD Set 1.2: A 39 HIS : no HD1:sc=-0.00484 X(o=1.2,f=1.2) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.27 K(o=2.1,f=-0.84) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -153:sc= 0.817 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 15 CYS SG : rot -25:sc= 0.17 USER MOD Single : A 16 CYS SG : rot 36:sc= 0.139 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 21 THR OG1 : rot 107:sc= -0.431 USER MOD Single : A 24 TYR OH : rot 19:sc= 0.515 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 180:sc= -0.496 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -64:sc= 0.645 USER MOD Single : A 42 CYS SG : rot 65:sc= 0.648 USER MOD Single : A 45 MET CE :methyl 169:sc= -0.82 (180deg=-1.65) USER MOD Single : A 46 THR OG1 : rot -174:sc= -1.54! USER MOD Single : A 53 SER OG : rot -170:sc= -0.341 USER MOD Single : A 58 ASN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 61 MET CE :methyl -130:sc= -0.101 (180deg=-0.824) USER MOD Single : A 62 THR OG1 : rot -123:sc= 0.139 USER MOD Single : A 68 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0.623 (180deg=0.445) USER MOD Single : A 79 CYS SG : rot -43:sc= -0.177 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.166 K(o=-0.17,f=-5.7!) USER MOD Single : A 93 MET CE :methyl -166:sc= -0.0165 (180deg=-0.273) USER MOD Single : A 100 GLN : amide:sc= -0.28 K(o=-0.28,f=-5.3!) USER MOD Single : A 101 SER OG : rot 70:sc= 0.529 USER MOD Single : A 102 THR OG1 : rot 120:sc= 0.391 USER MOD Single : A 105 SER OG : rot -119:sc= -0.285 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= -0.098 X(o=-0.098,f=-0.33) USER MOD Single : A 118 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-0.9) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 126 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0.04) USER MOD Single : A 128 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.8) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 130 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.585 -40.568 -33.648 1.00 0.00 N ATOM 2 CA MET A 1 4.821 -39.564 -34.433 1.00 0.00 C ATOM 3 C MET A 1 3.891 -38.776 -33.476 1.00 0.00 C ATOM 4 O MET A 1 2.830 -39.272 -33.085 1.00 0.00 O ATOM 5 CB MET A 1 4.035 -40.278 -35.572 1.00 0.00 C ATOM 6 CG MET A 1 3.411 -39.359 -36.645 1.00 0.00 C ATOM 7 SD MET A 1 2.074 -38.313 -36.023 1.00 0.00 S ATOM 8 CE MET A 1 1.416 -37.629 -37.543 1.00 0.00 C ATOM 0 H1 MET A 1 6.212 -41.102 -34.283 1.00 0.00 H new ATOM 0 H2 MET A 1 6.155 -40.083 -32.926 1.00 0.00 H new ATOM 0 H3 MET A 1 4.923 -41.223 -33.185 1.00 0.00 H new ATOM 0 HA MET A 1 5.495 -38.850 -34.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.709 -40.977 -36.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.238 -40.869 -35.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.191 -38.724 -37.064 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.029 -39.975 -37.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.584 -36.964 -37.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.197 -37.069 -38.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.067 -38.438 -38.185 1.00 0.00 H new ATOM 20 N GLY A 2 4.332 -37.569 -33.072 1.00 0.00 N ATOM 21 CA GLY A 2 3.596 -36.737 -32.099 1.00 0.00 C ATOM 22 C GLY A 2 3.783 -35.239 -32.340 1.00 0.00 C ATOM 23 O GLY A 2 4.596 -34.588 -31.670 1.00 0.00 O ATOM 0 H GLY A 2 5.198 -37.147 -33.406 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.534 -36.979 -32.150 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.930 -36.983 -31.091 1.00 0.00 H new ATOM 27 N GLN A 3 3.029 -34.698 -33.319 1.00 0.00 N ATOM 28 CA GLN A 3 3.025 -33.249 -33.660 1.00 0.00 C ATOM 29 C GLN A 3 2.281 -32.407 -32.588 1.00 0.00 C ATOM 30 O GLN A 3 2.558 -31.210 -32.425 1.00 0.00 O ATOM 31 CB GLN A 3 2.377 -33.031 -35.055 1.00 0.00 C ATOM 32 CG GLN A 3 3.055 -33.808 -36.204 1.00 0.00 C ATOM 33 CD GLN A 3 2.410 -33.547 -37.570 1.00 0.00 C ATOM 34 OE1 GLN A 3 1.389 -34.307 -37.908 1.00 0.00 O flip ATOM 35 NE2 GLN A 3 2.812 -32.653 -38.307 1.00 0.00 N flip ATOM 0 H GLN A 3 2.401 -35.252 -33.902 1.00 0.00 H new ATOM 0 HA GLN A 3 4.061 -32.912 -33.685 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.328 -33.324 -35.004 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.400 -31.967 -35.290 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.109 -33.533 -36.248 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.013 -34.875 -35.987 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.605 -32.077 -38.024 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.354 -32.486 -39.203 1.00 0.00 H new ATOM 44 N GLY A 4 1.312 -33.047 -31.891 1.00 0.00 N ATOM 45 CA GLY A 4 0.598 -32.418 -30.768 1.00 0.00 C ATOM 46 C GLY A 4 1.511 -32.154 -29.561 1.00 0.00 C ATOM 47 O GLY A 4 1.922 -33.094 -28.867 1.00 0.00 O ATOM 0 H GLY A 4 1.011 -34.001 -32.092 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.162 -31.477 -31.101 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.227 -33.061 -30.461 1.00 0.00 H new ATOM 51 N GLN A 5 1.816 -30.867 -29.320 1.00 0.00 N ATOM 52 CA GLN A 5 2.772 -30.426 -28.277 1.00 0.00 C ATOM 53 C GLN A 5 2.271 -29.165 -27.541 1.00 0.00 C ATOM 54 O GLN A 5 1.289 -28.532 -27.950 1.00 0.00 O ATOM 55 CB GLN A 5 4.153 -30.138 -28.927 1.00 0.00 C ATOM 56 CG GLN A 5 4.127 -29.029 -30.009 1.00 0.00 C ATOM 57 CD GLN A 5 5.494 -28.721 -30.624 1.00 0.00 C ATOM 58 OE1 GLN A 5 6.529 -28.852 -29.977 1.00 0.00 O ATOM 59 NE2 GLN A 5 5.506 -28.292 -31.875 1.00 0.00 N ATOM 0 H GLN A 5 1.406 -30.095 -29.845 1.00 0.00 H new ATOM 0 HA GLN A 5 2.864 -31.227 -27.543 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.857 -29.851 -28.146 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.530 -31.058 -29.374 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.443 -29.328 -30.803 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.725 -28.116 -29.569 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.630 -28.193 -32.389 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.391 -28.060 -32.326 1.00 0.00 H new ATOM 68 N ASN A 6 2.966 -28.804 -26.450 1.00 0.00 N ATOM 69 CA ASN A 6 2.656 -27.600 -25.639 1.00 0.00 C ATOM 70 C ASN A 6 3.795 -26.558 -25.718 1.00 0.00 C ATOM 71 O ASN A 6 4.973 -26.906 -25.871 1.00 0.00 O ATOM 72 CB ASN A 6 2.405 -28.003 -24.166 1.00 0.00 C ATOM 73 CG ASN A 6 1.184 -28.908 -24.005 1.00 0.00 C ATOM 74 OD1 ASN A 6 1.291 -30.128 -24.051 1.00 0.00 O ATOM 75 ND2 ASN A 6 0.014 -28.320 -23.835 1.00 0.00 N ATOM 0 H ASN A 6 3.762 -29.336 -26.099 1.00 0.00 H new ATOM 0 HA ASN A 6 1.754 -27.143 -26.047 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.286 -28.515 -23.778 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.268 -27.104 -23.565 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.831 -28.883 -23.738 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.045 -27.302 -23.801 1.00 0.00 H new ATOM 82 N VAL A 7 3.419 -25.274 -25.585 1.00 0.00 N ATOM 83 CA VAL A 7 4.372 -24.128 -25.548 1.00 0.00 C ATOM 84 C VAL A 7 5.045 -24.007 -24.154 1.00 0.00 C ATOM 85 O VAL A 7 6.003 -23.252 -23.969 1.00 0.00 O ATOM 86 CB VAL A 7 3.630 -22.770 -25.916 1.00 0.00 C ATOM 87 CG1 VAL A 7 2.694 -22.970 -27.132 1.00 0.00 C ATOM 88 CG2 VAL A 7 2.843 -22.174 -24.710 1.00 0.00 C ATOM 0 H VAL A 7 2.443 -24.991 -25.499 1.00 0.00 H new ATOM 0 HA VAL A 7 5.149 -24.316 -26.289 1.00 0.00 H new ATOM 0 HB VAL A 7 4.403 -22.048 -26.180 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.196 -22.029 -27.367 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.279 -23.295 -27.992 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.946 -23.727 -26.895 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.356 -21.248 -25.015 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.090 -22.888 -24.378 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.533 -21.968 -23.892 1.00 0.00 H new ATOM 98 N LEU A 8 4.485 -24.744 -23.178 1.00 0.00 N ATOM 99 CA LEU A 8 4.910 -24.726 -21.772 1.00 0.00 C ATOM 100 C LEU A 8 6.100 -25.686 -21.513 1.00 0.00 C ATOM 101 O LEU A 8 7.035 -25.345 -20.777 1.00 0.00 O ATOM 102 CB LEU A 8 3.697 -25.104 -20.896 1.00 0.00 C ATOM 103 CG LEU A 8 2.434 -24.206 -21.085 1.00 0.00 C ATOM 104 CD1 LEU A 8 1.276 -24.690 -20.203 1.00 0.00 C ATOM 105 CD2 LEU A 8 2.749 -22.710 -20.834 1.00 0.00 C ATOM 0 H LEU A 8 3.708 -25.381 -23.351 1.00 0.00 H new ATOM 0 HA LEU A 8 5.261 -23.726 -21.518 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.423 -26.137 -21.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.998 -25.063 -19.849 1.00 0.00 H new ATOM 0 HG LEU A 8 2.122 -24.297 -22.125 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.409 -24.046 -20.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.018 -25.715 -20.471 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.576 -24.653 -19.156 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.844 -22.119 -20.976 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.111 -22.581 -19.814 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.514 -22.377 -21.536 1.00 0.00 H new ATOM 117 N GLY A 9 6.049 -26.885 -22.138 1.00 0.00 N ATOM 118 CA GLY A 9 7.073 -27.938 -21.947 1.00 0.00 C ATOM 119 C GLY A 9 8.348 -27.732 -22.778 1.00 0.00 C ATOM 120 O GLY A 9 8.737 -28.603 -23.568 1.00 0.00 O ATOM 0 H GLY A 9 5.304 -27.148 -22.783 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.343 -27.980 -20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.637 -28.904 -22.203 1.00 0.00 H new ATOM 124 N GLN A 10 9.014 -26.579 -22.569 1.00 0.00 N ATOM 125 CA GLN A 10 10.247 -26.192 -23.288 1.00 0.00 C ATOM 126 C GLN A 10 11.059 -25.155 -22.469 1.00 0.00 C ATOM 127 O GLN A 10 12.266 -25.323 -22.268 1.00 0.00 O ATOM 128 CB GLN A 10 9.918 -25.641 -24.712 1.00 0.00 C ATOM 129 CG GLN A 10 8.837 -24.532 -24.754 1.00 0.00 C ATOM 130 CD GLN A 10 8.523 -24.003 -26.159 1.00 0.00 C ATOM 131 OE1 GLN A 10 8.634 -24.714 -27.148 1.00 0.00 O ATOM 132 NE2 GLN A 10 8.116 -22.748 -26.255 1.00 0.00 N ATOM 0 H GLN A 10 8.709 -25.882 -21.889 1.00 0.00 H new ATOM 0 HA GLN A 10 10.860 -27.085 -23.409 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.835 -25.250 -25.154 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.590 -26.470 -25.339 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.919 -24.920 -24.312 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.164 -23.700 -24.131 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.031 -22.174 -25.416 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.887 -22.354 -27.168 1.00 0.00 H new ATOM 141 N ASP A 11 10.380 -24.084 -22.001 1.00 0.00 N ATOM 142 CA ASP A 11 11.011 -22.991 -21.220 1.00 0.00 C ATOM 143 C ASP A 11 11.260 -23.412 -19.743 1.00 0.00 C ATOM 144 O ASP A 11 10.622 -24.337 -19.242 1.00 0.00 O ATOM 145 CB ASP A 11 10.110 -21.727 -21.291 1.00 0.00 C ATOM 146 CG ASP A 11 10.725 -20.498 -20.599 1.00 0.00 C ATOM 147 OD1 ASP A 11 11.830 -20.069 -21.007 1.00 0.00 O ATOM 148 OD2 ASP A 11 10.134 -19.965 -19.632 1.00 0.00 O ATOM 0 H ASP A 11 9.380 -23.951 -22.153 1.00 0.00 H new ATOM 0 HA ASP A 11 11.985 -22.768 -21.655 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.916 -21.487 -22.336 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.147 -21.950 -20.831 1.00 0.00 H new ATOM 153 N LEU A 12 12.197 -22.713 -19.063 1.00 0.00 N ATOM 154 CA LEU A 12 12.545 -22.978 -17.646 1.00 0.00 C ATOM 155 C LEU A 12 11.500 -22.349 -16.692 1.00 0.00 C ATOM 156 O LEU A 12 11.144 -21.182 -16.844 1.00 0.00 O ATOM 157 CB LEU A 12 13.974 -22.436 -17.302 1.00 0.00 C ATOM 158 CG LEU A 12 15.193 -23.154 -17.988 1.00 0.00 C ATOM 159 CD1 LEU A 12 15.288 -22.859 -19.510 1.00 0.00 C ATOM 160 CD2 LEU A 12 16.516 -22.804 -17.268 1.00 0.00 C ATOM 0 H LEU A 12 12.733 -21.951 -19.479 1.00 0.00 H new ATOM 0 HA LEU A 12 12.542 -24.059 -17.507 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.009 -21.380 -17.569 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.109 -22.497 -16.222 1.00 0.00 H new ATOM 0 HG LEU A 12 15.019 -24.226 -17.892 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.148 -23.381 -19.929 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.379 -23.202 -20.005 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.403 -21.786 -19.666 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.344 -23.313 -17.761 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.677 -21.727 -17.307 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.460 -23.126 -16.228 1.00 0.00 H new ATOM 172 N GLU A 13 11.030 -23.142 -15.713 1.00 0.00 N ATOM 173 CA GLU A 13 10.064 -22.691 -14.676 1.00 0.00 C ATOM 174 C GLU A 13 10.663 -21.611 -13.726 1.00 0.00 C ATOM 175 O GLU A 13 9.939 -20.747 -13.222 1.00 0.00 O ATOM 176 CB GLU A 13 9.588 -23.914 -13.845 1.00 0.00 C ATOM 177 CG GLU A 13 10.732 -24.716 -13.183 1.00 0.00 C ATOM 178 CD GLU A 13 10.237 -25.831 -12.248 1.00 0.00 C ATOM 179 OE1 GLU A 13 9.763 -26.869 -12.750 1.00 0.00 O ATOM 180 OE2 GLU A 13 10.321 -25.678 -11.013 1.00 0.00 O ATOM 0 H GLU A 13 11.306 -24.119 -15.612 1.00 0.00 H new ATOM 0 HA GLU A 13 9.222 -22.231 -15.194 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.906 -23.568 -13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.020 -24.581 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.355 -25.156 -13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.364 -24.032 -12.617 1.00 0.00 H new ATOM 187 N VAL A 14 11.991 -21.681 -13.492 1.00 0.00 N ATOM 188 CA VAL A 14 12.715 -20.808 -12.542 1.00 0.00 C ATOM 189 C VAL A 14 14.064 -20.345 -13.142 1.00 0.00 C ATOM 190 O VAL A 14 14.758 -21.118 -13.813 1.00 0.00 O ATOM 191 CB VAL A 14 12.925 -21.543 -11.148 1.00 0.00 C ATOM 192 CG1 VAL A 14 13.717 -22.869 -11.303 1.00 0.00 C ATOM 193 CG2 VAL A 14 13.586 -20.608 -10.094 1.00 0.00 C ATOM 0 H VAL A 14 12.598 -22.353 -13.962 1.00 0.00 H new ATOM 0 HA VAL A 14 12.109 -19.920 -12.362 1.00 0.00 H new ATOM 0 HB VAL A 14 11.933 -21.801 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.837 -23.337 -10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.172 -23.543 -11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.699 -22.659 -11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.712 -21.149 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.560 -20.281 -10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.950 -19.738 -9.929 1.00 0.00 H new ATOM 203 N CYS A 15 14.406 -19.062 -12.925 1.00 0.00 N ATOM 204 CA CYS A 15 15.689 -18.469 -13.390 1.00 0.00 C ATOM 205 C CYS A 15 16.736 -18.401 -12.255 1.00 0.00 C ATOM 206 O CYS A 15 17.927 -18.227 -12.524 1.00 0.00 O ATOM 207 CB CYS A 15 15.445 -17.052 -13.960 1.00 0.00 C ATOM 208 SG CYS A 15 16.926 -16.199 -14.560 1.00 0.00 S ATOM 0 H CYS A 15 13.809 -18.403 -12.425 1.00 0.00 H new ATOM 0 HA CYS A 15 16.084 -19.117 -14.172 1.00 0.00 H new ATOM 0 HB2 CYS A 15 14.730 -17.125 -14.779 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.981 -16.441 -13.186 1.00 0.00 H new ATOM 0 HG CYS A 15 17.974 -16.666 -13.948 1.00 0.00 H new ATOM 214 N CYS A 16 16.281 -18.537 -10.987 1.00 0.00 N ATOM 215 CA CYS A 16 17.157 -18.421 -9.792 1.00 0.00 C ATOM 216 C CYS A 16 18.062 -19.669 -9.600 1.00 0.00 C ATOM 217 O CYS A 16 17.775 -20.559 -8.785 1.00 0.00 O ATOM 218 CB CYS A 16 16.326 -18.159 -8.504 1.00 0.00 C ATOM 219 SG CYS A 16 17.326 -17.820 -7.032 1.00 0.00 S ATOM 0 H CYS A 16 15.305 -18.729 -10.762 1.00 0.00 H new ATOM 0 HA CYS A 16 17.807 -17.564 -9.970 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.660 -17.314 -8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.695 -19.026 -8.309 1.00 0.00 H new ATOM 0 HG CYS A 16 18.383 -17.144 -7.372 1.00 0.00 H new ATOM 225 N CYS A 17 19.132 -19.742 -10.413 1.00 0.00 N ATOM 226 CA CYS A 17 20.233 -20.708 -10.239 1.00 0.00 C ATOM 227 C CYS A 17 21.518 -19.903 -9.960 1.00 0.00 C ATOM 228 O CYS A 17 22.065 -19.945 -8.852 1.00 0.00 O ATOM 229 CB CYS A 17 20.407 -21.608 -11.496 1.00 0.00 C ATOM 230 SG CYS A 17 18.927 -22.525 -11.986 1.00 0.00 S ATOM 0 H CYS A 17 19.258 -19.127 -11.217 1.00 0.00 H new ATOM 0 HA CYS A 17 20.011 -21.376 -9.407 1.00 0.00 H new ATOM 0 HB2 CYS A 17 20.723 -20.983 -12.331 1.00 0.00 H new ATOM 0 HB3 CYS A 17 21.212 -22.319 -11.308 1.00 0.00 H new ATOM 0 HG CYS A 17 19.187 -23.237 -13.042 1.00 0.00 H new ATOM 236 N ALA A 18 21.974 -19.144 -10.981 1.00 0.00 N ATOM 237 CA ALA A 18 23.117 -18.205 -10.850 1.00 0.00 C ATOM 238 C ALA A 18 22.654 -16.788 -10.358 1.00 0.00 C ATOM 239 O ALA A 18 23.271 -16.253 -9.431 1.00 0.00 O ATOM 240 CB ALA A 18 23.910 -18.126 -12.175 1.00 0.00 C ATOM 0 H ALA A 18 21.565 -19.162 -11.915 1.00 0.00 H new ATOM 0 HA ALA A 18 23.787 -18.595 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.743 -17.433 -12.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 24.292 -19.114 -12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.254 -17.775 -12.971 1.00 0.00 H new ATOM 246 N PRO A 19 21.576 -16.135 -10.949 1.00 0.00 N ATOM 247 CA PRO A 19 21.026 -14.859 -10.405 1.00 0.00 C ATOM 248 C PRO A 19 20.040 -15.071 -9.224 1.00 0.00 C ATOM 249 O PRO A 19 19.660 -16.203 -8.893 1.00 0.00 O ATOM 250 CB PRO A 19 20.309 -14.242 -11.632 1.00 0.00 C ATOM 251 CG PRO A 19 19.794 -15.432 -12.382 1.00 0.00 C ATOM 252 CD PRO A 19 20.831 -16.532 -12.183 1.00 0.00 C ATOM 0 HA PRO A 19 21.805 -14.225 -9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.499 -13.579 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 19 20.994 -13.652 -12.240 1.00 0.00 H new ATOM 0 HG2 PRO A 19 18.820 -15.741 -12.003 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.667 -15.202 -13.440 1.00 0.00 H new ATOM 0 HD2 PRO A 19 20.357 -17.506 -12.063 1.00 0.00 H new ATOM 0 HD3 PRO A 19 21.499 -16.607 -13.041 1.00 0.00 H new ATOM 260 N MET A 20 19.636 -13.952 -8.601 1.00 0.00 N ATOM 261 CA MET A 20 18.690 -13.930 -7.466 1.00 0.00 C ATOM 262 C MET A 20 17.314 -13.421 -7.965 1.00 0.00 C ATOM 263 O MET A 20 17.074 -12.207 -8.010 1.00 0.00 O ATOM 264 CB MET A 20 19.245 -13.004 -6.339 1.00 0.00 C ATOM 265 CG MET A 20 20.703 -13.275 -5.931 1.00 0.00 C ATOM 266 SD MET A 20 21.339 -12.038 -4.776 1.00 0.00 S ATOM 267 CE MET A 20 23.088 -12.439 -4.731 1.00 0.00 C ATOM 0 H MET A 20 19.960 -13.024 -8.873 1.00 0.00 H new ATOM 0 HA MET A 20 18.571 -14.934 -7.059 1.00 0.00 H new ATOM 0 HB2 MET A 20 19.163 -11.968 -6.668 1.00 0.00 H new ATOM 0 HB3 MET A 20 18.612 -13.110 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 20 20.772 -14.263 -5.475 1.00 0.00 H new ATOM 0 HG3 MET A 20 21.330 -13.291 -6.823 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.601 -11.754 -4.057 1.00 0.00 H new ATOM 0 HE2 MET A 20 23.218 -13.462 -4.377 1.00 0.00 H new ATOM 0 HE3 MET A 20 23.509 -12.346 -5.732 1.00 0.00 H new ATOM 277 N THR A 21 16.428 -14.343 -8.397 1.00 0.00 N ATOM 278 CA THR A 21 15.091 -13.979 -8.942 1.00 0.00 C ATOM 279 C THR A 21 13.973 -14.354 -7.937 1.00 0.00 C ATOM 280 O THR A 21 13.299 -15.389 -8.067 1.00 0.00 O ATOM 281 CB THR A 21 14.836 -14.613 -10.364 1.00 0.00 C ATOM 282 OG1 THR A 21 14.775 -16.047 -10.294 1.00 0.00 O ATOM 283 CG2 THR A 21 15.937 -14.216 -11.362 1.00 0.00 C ATOM 0 H THR A 21 16.609 -15.347 -8.381 1.00 0.00 H new ATOM 0 HA THR A 21 15.073 -12.898 -9.080 1.00 0.00 H new ATOM 0 HB THR A 21 13.878 -14.225 -10.710 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.847 -16.341 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.730 -14.670 -12.331 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.959 -13.131 -11.467 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.903 -14.565 -10.996 1.00 0.00 H new ATOM 291 N GLY A 22 13.803 -13.486 -6.910 1.00 0.00 N ATOM 292 CA GLY A 22 12.926 -13.772 -5.759 1.00 0.00 C ATOM 293 C GLY A 22 13.497 -14.884 -4.867 1.00 0.00 C ATOM 294 O GLY A 22 14.719 -14.960 -4.685 1.00 0.00 O ATOM 0 H GLY A 22 14.266 -12.579 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.794 -12.865 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.939 -14.065 -6.118 1.00 0.00 H new ATOM 298 N TRP A 23 12.624 -15.718 -4.273 1.00 0.00 N ATOM 299 CA TRP A 23 13.040 -16.983 -3.624 1.00 0.00 C ATOM 300 C TRP A 23 12.499 -18.165 -4.458 1.00 0.00 C ATOM 301 O TRP A 23 13.279 -18.922 -5.053 1.00 0.00 O ATOM 302 CB TRP A 23 12.536 -17.061 -2.157 1.00 0.00 C ATOM 303 CG TRP A 23 12.960 -15.913 -1.259 1.00 0.00 C ATOM 304 CD1 TRP A 23 14.142 -15.219 -1.285 1.00 0.00 C ATOM 305 CD2 TRP A 23 12.202 -15.358 -0.168 1.00 0.00 C ATOM 306 NE1 TRP A 23 14.141 -14.248 -0.314 1.00 0.00 N ATOM 307 CE2 TRP A 23 12.968 -14.320 0.390 1.00 0.00 C ATOM 308 CE3 TRP A 23 10.948 -15.634 0.383 1.00 0.00 C ATOM 309 CZ2 TRP A 23 12.516 -13.558 1.465 1.00 0.00 C ATOM 310 CZ3 TRP A 23 10.499 -14.881 1.449 1.00 0.00 C ATOM 311 CH2 TRP A 23 11.282 -13.854 1.984 1.00 0.00 C ATOM 0 H TRP A 23 11.621 -15.541 -4.227 1.00 0.00 H new ATOM 0 HA TRP A 23 14.128 -17.027 -3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.447 -17.108 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 23 12.891 -17.993 -1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 23 14.956 -15.408 -1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.893 -13.580 -0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.337 -16.428 -0.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 13.118 -12.761 1.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.529 -15.088 1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.908 -13.283 2.821 1.00 0.00 H new ATOM 322 N TYR A 24 11.145 -18.285 -4.511 1.00 0.00 N ATOM 323 CA TYR A 24 10.442 -19.283 -5.348 1.00 0.00 C ATOM 324 C TYR A 24 8.907 -19.069 -5.274 1.00 0.00 C ATOM 325 O TYR A 24 8.234 -19.636 -4.411 1.00 0.00 O ATOM 326 CB TYR A 24 10.808 -20.740 -4.930 1.00 0.00 C ATOM 327 CG TYR A 24 10.329 -21.832 -5.901 1.00 0.00 C ATOM 328 CD1 TYR A 24 10.777 -21.861 -7.233 1.00 0.00 C ATOM 329 CD2 TYR A 24 9.449 -22.838 -5.491 1.00 0.00 C ATOM 330 CE1 TYR A 24 10.365 -22.852 -8.104 1.00 0.00 C ATOM 331 CE2 TYR A 24 9.041 -23.830 -6.359 1.00 0.00 C ATOM 332 CZ TYR A 24 9.499 -23.834 -7.661 1.00 0.00 C ATOM 333 OH TYR A 24 9.091 -24.828 -8.521 1.00 0.00 O ATOM 0 H TYR A 24 10.515 -17.690 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 24 10.769 -19.140 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 24 11.891 -20.813 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.383 -20.938 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.455 -21.096 -7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.082 -22.839 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.718 -22.859 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.365 -24.601 -6.020 1.00 0.00 H new ATOM 0 HH TYR A 24 9.710 -24.879 -9.279 1.00 0.00 H new ATOM 343 N ARG A 25 8.371 -18.203 -6.157 1.00 0.00 N ATOM 344 CA ARG A 25 6.906 -17.972 -6.289 1.00 0.00 C ATOM 345 C ARG A 25 6.457 -18.177 -7.757 1.00 0.00 C ATOM 346 O ARG A 25 5.798 -19.168 -8.080 1.00 0.00 O ATOM 347 CB ARG A 25 6.536 -16.552 -5.780 1.00 0.00 C ATOM 348 CG ARG A 25 5.049 -16.162 -5.964 1.00 0.00 C ATOM 349 CD ARG A 25 4.690 -14.794 -5.344 1.00 0.00 C ATOM 350 NE ARG A 25 4.657 -14.836 -3.871 1.00 0.00 N ATOM 351 CZ ARG A 25 5.594 -14.398 -3.060 1.00 0.00 C ATOM 352 NH1 ARG A 25 6.688 -13.855 -3.506 1.00 0.00 N ATOM 353 NH2 ARG A 25 5.440 -14.520 -1.788 1.00 0.00 N ATOM 0 H ARG A 25 8.932 -17.643 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 25 6.377 -18.699 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.786 -16.485 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.155 -15.822 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.816 -16.142 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.421 -16.932 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.417 -14.049 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.718 -14.473 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 25 3.828 -15.244 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.837 -13.759 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.397 -13.524 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.595 -14.954 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.163 -14.183 -1.152 1.00 0.00 H new ATOM 367 N ASN A 26 6.832 -17.228 -8.645 1.00 0.00 N ATOM 368 CA ASN A 26 6.615 -17.356 -10.112 1.00 0.00 C ATOM 369 C ASN A 26 7.869 -17.956 -10.807 1.00 0.00 C ATOM 370 O ASN A 26 7.895 -18.113 -12.034 1.00 0.00 O ATOM 371 CB ASN A 26 6.255 -15.977 -10.730 1.00 0.00 C ATOM 372 CG ASN A 26 4.947 -15.392 -10.175 1.00 0.00 C ATOM 373 OD1 ASN A 26 3.863 -15.719 -10.641 1.00 0.00 O ATOM 374 ND2 ASN A 26 5.038 -14.508 -9.197 1.00 0.00 N ATOM 0 H ASN A 26 7.290 -16.358 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 26 5.780 -18.037 -10.275 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.069 -15.277 -10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.170 -16.081 -11.812 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.194 -14.082 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.952 -14.251 -8.825 1.00 0.00 H new ATOM 381 N GLY A 27 8.904 -18.285 -9.995 1.00 0.00 N ATOM 382 CA GLY A 27 10.197 -18.770 -10.500 1.00 0.00 C ATOM 383 C GLY A 27 11.130 -17.634 -10.945 1.00 0.00 C ATOM 384 O GLY A 27 12.303 -17.578 -10.552 1.00 0.00 O ATOM 0 H GLY A 27 8.859 -18.219 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.689 -19.354 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.024 -19.442 -11.341 1.00 0.00 H new ATOM 388 N PHE A 28 10.598 -16.737 -11.788 1.00 0.00 N ATOM 389 CA PHE A 28 11.313 -15.552 -12.296 1.00 0.00 C ATOM 390 C PHE A 28 10.335 -14.382 -12.535 1.00 0.00 C ATOM 391 O PHE A 28 9.142 -14.605 -12.777 1.00 0.00 O ATOM 392 CB PHE A 28 12.066 -15.904 -13.610 1.00 0.00 C ATOM 393 CG PHE A 28 11.179 -16.483 -14.727 1.00 0.00 C ATOM 394 CD1 PHE A 28 10.936 -17.855 -14.809 1.00 0.00 C ATOM 395 CD2 PHE A 28 10.583 -15.656 -15.686 1.00 0.00 C ATOM 396 CE1 PHE A 28 10.134 -18.374 -15.803 1.00 0.00 C ATOM 397 CE2 PHE A 28 9.782 -16.181 -16.677 1.00 0.00 C ATOM 398 CZ PHE A 28 9.556 -17.539 -16.738 1.00 0.00 C ATOM 0 H PHE A 28 9.645 -16.814 -12.143 1.00 0.00 H new ATOM 0 HA PHE A 28 12.039 -15.240 -11.545 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.556 -15.005 -13.984 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.852 -16.623 -13.380 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.382 -18.519 -14.084 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.753 -14.590 -15.649 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.957 -19.438 -15.850 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.330 -15.526 -17.408 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.928 -17.949 -17.515 1.00 0.00 H new ATOM 408 N CYS A 29 10.873 -13.148 -12.442 1.00 0.00 N ATOM 409 CA CYS A 29 10.201 -11.889 -12.867 1.00 0.00 C ATOM 410 C CYS A 29 8.954 -11.500 -12.022 1.00 0.00 C ATOM 411 O CYS A 29 8.377 -12.329 -11.303 1.00 0.00 O ATOM 412 CB CYS A 29 9.849 -11.945 -14.372 1.00 0.00 C ATOM 413 SG CYS A 29 11.286 -12.088 -15.456 1.00 0.00 S ATOM 0 H CYS A 29 11.806 -12.989 -12.062 1.00 0.00 H new ATOM 0 HA CYS A 29 10.926 -11.096 -12.686 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.187 -12.793 -14.549 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.293 -11.046 -14.639 1.00 0.00 H new ATOM 0 HG CYS A 29 10.893 -12.130 -16.694 1.00 0.00 H new ATOM 419 N GLN A 30 8.565 -10.201 -12.126 1.00 0.00 N ATOM 420 CA GLN A 30 7.354 -9.643 -11.459 1.00 0.00 C ATOM 421 C GLN A 30 7.020 -8.198 -11.954 1.00 0.00 C ATOM 422 O GLN A 30 6.303 -7.466 -11.267 1.00 0.00 O ATOM 423 CB GLN A 30 7.515 -9.668 -9.899 1.00 0.00 C ATOM 424 CG GLN A 30 8.696 -8.831 -9.361 1.00 0.00 C ATOM 425 CD GLN A 30 8.947 -9.021 -7.861 1.00 0.00 C ATOM 426 OE1 GLN A 30 9.702 -9.900 -7.451 1.00 0.00 O ATOM 427 NE2 GLN A 30 8.353 -8.189 -7.034 1.00 0.00 N ATOM 0 H GLN A 30 9.080 -9.511 -12.673 1.00 0.00 H new ATOM 0 HA GLN A 30 6.515 -10.282 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.593 -9.304 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.643 -10.701 -9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.600 -9.098 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.503 -7.776 -9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.730 -7.467 -7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.515 -8.266 -6.030 1.00 0.00 H new ATOM 436 N THR A 31 7.509 -7.801 -13.160 1.00 0.00 N ATOM 437 CA THR A 31 7.262 -6.437 -13.732 1.00 0.00 C ATOM 438 C THR A 31 7.367 -6.403 -15.281 1.00 0.00 C ATOM 439 O THR A 31 8.035 -7.242 -15.904 1.00 0.00 O ATOM 440 CB THR A 31 8.231 -5.347 -13.122 1.00 0.00 C ATOM 441 OG1 THR A 31 7.929 -4.042 -13.661 1.00 0.00 O ATOM 442 CG2 THR A 31 9.720 -5.665 -13.359 1.00 0.00 C ATOM 0 H THR A 31 8.076 -8.401 -13.758 1.00 0.00 H new ATOM 0 HA THR A 31 6.236 -6.196 -13.453 1.00 0.00 H new ATOM 0 HB THR A 31 8.061 -5.356 -12.045 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.537 -3.379 -13.272 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.334 -4.880 -12.917 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.966 -6.621 -12.898 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.915 -5.718 -14.430 1.00 0.00 H new ATOM 450 N ASP A 32 6.684 -5.403 -15.882 1.00 0.00 N ATOM 451 CA ASP A 32 6.709 -5.122 -17.336 1.00 0.00 C ATOM 452 C ASP A 32 7.911 -4.230 -17.736 1.00 0.00 C ATOM 453 O ASP A 32 8.211 -4.120 -18.929 1.00 0.00 O ATOM 454 CB ASP A 32 5.389 -4.421 -17.772 1.00 0.00 C ATOM 455 CG ASP A 32 4.136 -5.257 -17.493 1.00 0.00 C ATOM 456 OD1 ASP A 32 3.935 -6.280 -18.177 1.00 0.00 O ATOM 457 OD2 ASP A 32 3.348 -4.905 -16.589 1.00 0.00 O ATOM 0 H ASP A 32 6.090 -4.757 -15.362 1.00 0.00 H new ATOM 0 HA ASP A 32 6.811 -6.081 -17.844 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.304 -3.467 -17.252 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.439 -4.199 -18.838 1.00 0.00 H new ATOM 462 N VAL A 33 8.573 -3.596 -16.725 1.00 0.00 N ATOM 463 CA VAL A 33 9.693 -2.623 -16.912 1.00 0.00 C ATOM 464 C VAL A 33 9.181 -1.262 -17.488 1.00 0.00 C ATOM 465 O VAL A 33 9.246 -0.226 -16.811 1.00 0.00 O ATOM 466 CB VAL A 33 10.884 -3.200 -17.789 1.00 0.00 C ATOM 467 CG1 VAL A 33 12.020 -2.162 -18.008 1.00 0.00 C ATOM 468 CG2 VAL A 33 11.443 -4.511 -17.171 1.00 0.00 C ATOM 0 H VAL A 33 8.341 -3.748 -15.743 1.00 0.00 H new ATOM 0 HA VAL A 33 10.101 -2.443 -15.917 1.00 0.00 H new ATOM 0 HB VAL A 33 10.471 -3.427 -18.772 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.809 -2.608 -18.614 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.620 -1.287 -18.521 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.429 -1.862 -17.043 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.258 -4.887 -17.790 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.814 -4.310 -16.166 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.650 -5.257 -17.123 1.00 0.00 H new ATOM 478 N GLN A 34 8.680 -1.274 -18.745 1.00 0.00 N ATOM 479 CA GLN A 34 8.092 -0.091 -19.398 1.00 0.00 C ATOM 480 C GLN A 34 6.632 0.114 -18.933 1.00 0.00 C ATOM 481 O GLN A 34 5.721 -0.624 -19.323 1.00 0.00 O ATOM 482 CB GLN A 34 8.185 -0.219 -20.944 1.00 0.00 C ATOM 483 CG GLN A 34 9.627 -0.185 -21.479 1.00 0.00 C ATOM 484 CD GLN A 34 9.713 -0.246 -23.010 1.00 0.00 C ATOM 485 OE1 GLN A 34 9.704 0.775 -23.693 1.00 0.00 O ATOM 486 NE2 GLN A 34 9.780 -1.442 -23.564 1.00 0.00 N ATOM 0 H GLN A 34 8.674 -2.108 -19.332 1.00 0.00 H new ATOM 0 HA GLN A 34 8.661 0.791 -19.104 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.714 -1.153 -21.252 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.617 0.591 -21.402 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.114 0.726 -21.132 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.182 -1.023 -21.058 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.786 -2.276 -22.977 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.826 -1.532 -24.579 1.00 0.00 H new ATOM 495 N ASP A 35 6.448 1.120 -18.077 1.00 0.00 N ATOM 496 CA ASP A 35 5.145 1.444 -17.437 1.00 0.00 C ATOM 497 C ASP A 35 4.621 2.857 -17.798 1.00 0.00 C ATOM 498 O ASP A 35 3.488 3.191 -17.437 1.00 0.00 O ATOM 499 CB ASP A 35 5.300 1.330 -15.908 1.00 0.00 C ATOM 500 CG ASP A 35 6.208 2.421 -15.284 1.00 0.00 C ATOM 501 OD1 ASP A 35 7.430 2.425 -15.554 1.00 0.00 O ATOM 502 OD2 ASP A 35 5.694 3.295 -14.551 1.00 0.00 O ATOM 0 H ASP A 35 7.201 1.748 -17.796 1.00 0.00 H new ATOM 0 HA ASP A 35 4.412 0.732 -17.815 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.313 1.386 -15.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.709 0.349 -15.667 1.00 0.00 H new ATOM 507 N ARG A 36 5.479 3.680 -18.455 1.00 0.00 N ATOM 508 CA ARG A 36 5.194 5.103 -18.840 1.00 0.00 C ATOM 509 C ARG A 36 5.275 6.113 -17.659 1.00 0.00 C ATOM 510 O ARG A 36 5.599 7.285 -17.884 1.00 0.00 O ATOM 511 CB ARG A 36 3.824 5.270 -19.584 1.00 0.00 C ATOM 512 CG ARG A 36 3.749 4.600 -20.972 1.00 0.00 C ATOM 513 CD ARG A 36 4.814 5.140 -21.945 1.00 0.00 C ATOM 514 NE ARG A 36 4.683 4.565 -23.291 1.00 0.00 N ATOM 515 CZ ARG A 36 5.592 4.626 -24.240 1.00 0.00 C ATOM 516 NH1 ARG A 36 6.755 5.160 -24.031 1.00 0.00 N ATOM 517 NH2 ARG A 36 5.329 4.144 -25.403 1.00 0.00 N ATOM 0 H ARG A 36 6.409 3.375 -18.741 1.00 0.00 H new ATOM 0 HA ARG A 36 6.001 5.348 -19.531 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.034 4.859 -18.956 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.618 6.334 -19.699 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.876 3.523 -20.860 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.758 4.761 -21.397 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.730 6.225 -22.006 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.807 4.919 -21.553 1.00 0.00 H new ATOM 0 HE ARG A 36 3.814 4.077 -23.508 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.982 5.545 -23.114 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.443 5.195 -24.783 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.420 3.718 -25.585 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.029 4.188 -26.143 1.00 0.00 H new ATOM 531 N GLY A 37 4.967 5.671 -16.422 1.00 0.00 N ATOM 532 CA GLY A 37 4.955 6.566 -15.244 1.00 0.00 C ATOM 533 C GLY A 37 6.276 6.590 -14.452 1.00 0.00 C ATOM 534 O GLY A 37 6.347 7.264 -13.426 1.00 0.00 O ATOM 0 H GLY A 37 4.724 4.703 -16.212 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.725 7.579 -15.574 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.150 6.258 -14.576 1.00 0.00 H new ATOM 538 N SER A 38 7.287 5.798 -14.914 1.00 0.00 N ATOM 539 CA SER A 38 8.672 5.675 -14.321 1.00 0.00 C ATOM 540 C SER A 38 8.705 4.922 -12.959 1.00 0.00 C ATOM 541 O SER A 38 9.786 4.633 -12.434 1.00 0.00 O ATOM 542 CB SER A 38 9.427 7.040 -14.203 1.00 0.00 C ATOM 543 OG SER A 38 8.974 7.835 -13.114 1.00 0.00 O ATOM 0 H SER A 38 7.166 5.205 -15.735 1.00 0.00 H new ATOM 0 HA SER A 38 9.208 5.064 -15.047 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.494 6.850 -14.087 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.302 7.599 -15.130 1.00 0.00 H new ATOM 0 HG SER A 38 7.995 7.873 -13.122 1.00 0.00 H new ATOM 549 N HIS A 39 7.521 4.579 -12.415 1.00 0.00 N ATOM 550 CA HIS A 39 7.387 3.856 -11.128 1.00 0.00 C ATOM 551 C HIS A 39 6.124 2.963 -11.158 1.00 0.00 C ATOM 552 O HIS A 39 4.992 3.433 -10.991 1.00 0.00 O ATOM 553 CB HIS A 39 7.405 4.828 -9.901 1.00 0.00 C ATOM 554 CG HIS A 39 6.523 6.047 -10.018 1.00 0.00 C ATOM 555 ND1 HIS A 39 6.994 7.266 -10.454 1.00 0.00 N ATOM 556 CD2 HIS A 39 5.209 6.240 -9.736 1.00 0.00 C ATOM 557 CE1 HIS A 39 6.015 8.150 -10.436 1.00 0.00 C ATOM 558 NE2 HIS A 39 4.925 7.555 -10.004 1.00 0.00 N ATOM 0 H HIS A 39 6.626 4.795 -12.854 1.00 0.00 H new ATOM 0 HA HIS A 39 8.256 3.210 -11.002 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.106 4.269 -9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.431 5.159 -9.738 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.517 5.497 -9.369 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.095 9.187 -10.727 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.015 8.000 -9.887 1.00 0.00 H new ATOM 567 N THR A 40 6.333 1.662 -11.412 1.00 0.00 N ATOM 568 CA THR A 40 5.244 0.678 -11.583 1.00 0.00 C ATOM 569 C THR A 40 4.960 -0.079 -10.263 1.00 0.00 C ATOM 570 O THR A 40 5.835 -0.757 -9.713 1.00 0.00 O ATOM 571 CB THR A 40 5.569 -0.312 -12.754 1.00 0.00 C ATOM 572 OG1 THR A 40 4.508 -1.253 -12.925 1.00 0.00 O ATOM 573 CG2 THR A 40 6.915 -1.052 -12.590 1.00 0.00 C ATOM 0 H THR A 40 7.265 1.258 -11.506 1.00 0.00 H new ATOM 0 HA THR A 40 4.336 1.220 -11.847 1.00 0.00 H new ATOM 0 HB THR A 40 5.665 0.305 -13.648 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.429 -1.807 -12.120 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.070 -1.718 -13.439 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.727 -0.326 -12.546 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.900 -1.635 -11.669 1.00 0.00 H new ATOM 581 N VAL A 41 3.738 0.097 -9.719 1.00 0.00 N ATOM 582 CA VAL A 41 3.307 -0.537 -8.450 1.00 0.00 C ATOM 583 C VAL A 41 1.836 -1.017 -8.573 1.00 0.00 C ATOM 584 O VAL A 41 0.907 -0.196 -8.598 1.00 0.00 O ATOM 585 CB VAL A 41 3.421 0.455 -7.219 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.031 -0.249 -5.883 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.824 1.131 -7.116 1.00 0.00 C ATOM 0 H VAL A 41 3.020 0.683 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 41 3.971 -1.382 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 41 2.704 1.256 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.120 0.459 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.003 -0.605 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.697 -1.094 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.844 1.799 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.590 0.364 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.020 1.702 -8.023 1.00 0.00 H new ATOM 597 N CYS A 42 1.626 -2.338 -8.694 1.00 0.00 N ATOM 598 CA CYS A 42 0.280 -2.935 -8.575 1.00 0.00 C ATOM 599 C CYS A 42 0.098 -3.426 -7.129 1.00 0.00 C ATOM 600 O CYS A 42 0.672 -4.435 -6.720 1.00 0.00 O ATOM 601 CB CYS A 42 0.102 -4.109 -9.566 1.00 0.00 C ATOM 602 SG CYS A 42 0.327 -3.657 -11.303 1.00 0.00 S ATOM 0 H CYS A 42 2.368 -3.014 -8.874 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.473 -2.186 -8.818 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.814 -4.895 -9.312 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.896 -4.529 -9.438 1.00 0.00 H new ATOM 0 HG CYS A 42 1.560 -3.297 -11.502 1.00 0.00 H new ATOM 608 N ALA A 43 -0.706 -2.683 -6.366 1.00 0.00 N ATOM 609 CA ALA A 43 -1.005 -2.970 -4.951 1.00 0.00 C ATOM 610 C ALA A 43 -2.458 -2.574 -4.663 1.00 0.00 C ATOM 611 O ALA A 43 -2.980 -1.655 -5.297 1.00 0.00 O ATOM 612 CB ALA A 43 -0.024 -2.210 -4.040 1.00 0.00 C ATOM 0 H ALA A 43 -1.179 -1.849 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.884 -4.034 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.253 -2.428 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.996 -2.524 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.120 -1.139 -4.216 1.00 0.00 H new ATOM 618 N GLU A 44 -3.116 -3.250 -3.712 1.00 0.00 N ATOM 619 CA GLU A 44 -4.539 -2.994 -3.418 1.00 0.00 C ATOM 620 C GLU A 44 -4.727 -2.612 -1.939 1.00 0.00 C ATOM 621 O GLU A 44 -4.362 -3.376 -1.043 1.00 0.00 O ATOM 622 CB GLU A 44 -5.397 -4.229 -3.793 1.00 0.00 C ATOM 623 CG GLU A 44 -6.875 -3.902 -3.983 1.00 0.00 C ATOM 624 CD GLU A 44 -7.703 -5.106 -4.459 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.640 -5.442 -5.659 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.426 -5.714 -3.644 1.00 0.00 O ATOM 0 H GLU A 44 -2.692 -3.975 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.875 -2.153 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.008 -4.667 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.296 -4.983 -3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.284 -3.537 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.972 -3.093 -4.707 1.00 0.00 H new ATOM 633 N MET A 45 -5.245 -1.391 -1.695 1.00 0.00 N ATOM 634 CA MET A 45 -5.530 -0.874 -0.347 1.00 0.00 C ATOM 635 C MET A 45 -7.056 -0.774 -0.094 1.00 0.00 C ATOM 636 O MET A 45 -7.851 -0.684 -1.034 1.00 0.00 O ATOM 637 CB MET A 45 -4.854 0.509 -0.187 1.00 0.00 C ATOM 638 CG MET A 45 -3.361 0.528 -0.579 1.00 0.00 C ATOM 639 SD MET A 45 -2.596 2.134 -0.305 1.00 0.00 S ATOM 640 CE MET A 45 -2.859 2.302 1.449 1.00 0.00 C ATOM 0 H MET A 45 -5.478 -0.732 -2.438 1.00 0.00 H new ATOM 0 HA MET A 45 -5.127 -1.565 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.389 1.236 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.951 0.831 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.828 -0.228 -0.002 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.261 0.256 -1.630 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.280 3.145 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.918 2.474 1.643 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.541 1.390 1.954 1.00 0.00 H new ATOM 650 N THR A 46 -7.443 -0.764 1.193 1.00 0.00 N ATOM 651 CA THR A 46 -8.858 -0.724 1.632 1.00 0.00 C ATOM 652 C THR A 46 -9.295 0.715 1.961 1.00 0.00 C ATOM 653 O THR A 46 -8.461 1.573 2.276 1.00 0.00 O ATOM 654 CB THR A 46 -9.093 -1.616 2.900 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.119 -1.286 3.893 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.011 -3.121 2.610 1.00 0.00 C ATOM 0 H THR A 46 -6.781 -0.784 1.968 1.00 0.00 H new ATOM 0 HA THR A 46 -9.452 -1.110 0.804 1.00 0.00 H new ATOM 0 HB THR A 46 -10.105 -1.409 3.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.201 -1.903 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.183 -3.679 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.769 -3.392 1.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.023 -3.363 2.219 1.00 0.00 H new ATOM 664 N GLU A 47 -10.621 0.947 1.938 1.00 0.00 N ATOM 665 CA GLU A 47 -11.213 2.277 2.190 1.00 0.00 C ATOM 666 C GLU A 47 -10.914 2.780 3.613 1.00 0.00 C ATOM 667 O GLU A 47 -10.845 3.965 3.816 1.00 0.00 O ATOM 668 CB GLU A 47 -12.747 2.285 1.923 1.00 0.00 C ATOM 669 CG GLU A 47 -13.340 3.696 1.692 1.00 0.00 C ATOM 670 CD GLU A 47 -14.858 3.692 1.448 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.296 3.242 0.370 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.624 4.132 2.333 1.00 0.00 O ATOM 0 H GLU A 47 -11.311 0.221 1.745 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.742 2.963 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.956 1.667 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.255 1.823 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.121 4.320 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.844 4.154 0.836 1.00 0.00 H new ATOM 679 N GLU A 48 -10.746 1.860 4.583 1.00 0.00 N ATOM 680 CA GLU A 48 -10.476 2.207 6.005 1.00 0.00 C ATOM 681 C GLU A 48 -9.269 3.190 6.169 1.00 0.00 C ATOM 682 O GLU A 48 -9.365 4.165 6.920 1.00 0.00 O ATOM 683 CB GLU A 48 -10.265 0.905 6.835 1.00 0.00 C ATOM 684 CG GLU A 48 -8.983 0.113 6.501 1.00 0.00 C ATOM 685 CD GLU A 48 -8.922 -1.272 7.158 1.00 0.00 C ATOM 686 OE1 GLU A 48 -9.499 -2.227 6.593 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.310 -1.411 8.233 1.00 0.00 O ATOM 0 H GLU A 48 -10.792 0.856 4.410 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.348 2.737 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.246 1.167 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.125 0.253 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.911 -0.005 5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.116 0.693 6.817 1.00 0.00 H new ATOM 694 N PHE A 49 -8.137 2.930 5.458 1.00 0.00 N ATOM 695 CA PHE A 49 -6.986 3.874 5.418 1.00 0.00 C ATOM 696 C PHE A 49 -7.230 5.048 4.432 1.00 0.00 C ATOM 697 O PHE A 49 -6.808 6.178 4.684 1.00 0.00 O ATOM 698 CB PHE A 49 -5.643 3.167 5.078 1.00 0.00 C ATOM 699 CG PHE A 49 -4.457 4.156 5.027 1.00 0.00 C ATOM 700 CD1 PHE A 49 -3.929 4.704 6.201 1.00 0.00 C ATOM 701 CD2 PHE A 49 -3.916 4.579 3.808 1.00 0.00 C ATOM 702 CE1 PHE A 49 -2.895 5.627 6.155 1.00 0.00 C ATOM 703 CE2 PHE A 49 -2.886 5.505 3.765 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.374 6.027 4.937 1.00 0.00 C ATOM 0 H PHE A 49 -7.998 2.081 4.909 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.905 4.279 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.441 2.398 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.734 2.662 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.332 4.404 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.308 4.177 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.495 6.035 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.483 5.819 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.569 6.746 4.903 1.00 0.00 H new ATOM 714 N LEU A 50 -7.869 4.774 3.288 1.00 0.00 N ATOM 715 CA LEU A 50 -8.114 5.804 2.235 1.00 0.00 C ATOM 716 C LEU A 50 -9.135 6.889 2.716 1.00 0.00 C ATOM 717 O LEU A 50 -9.182 8.005 2.186 1.00 0.00 O ATOM 718 CB LEU A 50 -8.464 5.115 0.873 1.00 0.00 C ATOM 719 CG LEU A 50 -7.224 4.575 0.061 1.00 0.00 C ATOM 720 CD1 LEU A 50 -6.373 3.581 0.871 1.00 0.00 C ATOM 721 CD2 LEU A 50 -7.648 3.955 -1.281 1.00 0.00 C ATOM 0 H LEU A 50 -8.232 3.850 3.055 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.198 6.366 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.142 4.284 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.004 5.828 0.250 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.599 5.444 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.534 3.242 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.997 4.071 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.985 2.725 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.766 3.595 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.327 3.122 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.152 4.708 -1.887 1.00 0.00 H new ATOM 733 N LEU A 51 -9.925 6.529 3.749 1.00 0.00 N ATOM 734 CA LEU A 51 -10.778 7.461 4.516 1.00 0.00 C ATOM 735 C LEU A 51 -9.923 8.354 5.448 1.00 0.00 C ATOM 736 O LEU A 51 -10.337 9.456 5.754 1.00 0.00 O ATOM 737 CB LEU A 51 -11.857 6.701 5.345 1.00 0.00 C ATOM 738 CG LEU A 51 -13.023 6.060 4.534 1.00 0.00 C ATOM 739 CD1 LEU A 51 -13.958 5.225 5.436 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.808 7.129 3.744 1.00 0.00 C ATOM 0 H LEU A 51 -9.989 5.566 4.079 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.291 8.097 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.361 5.914 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.284 7.395 6.069 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.578 5.375 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.758 4.795 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.389 4.424 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.389 5.866 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.615 6.651 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.227 7.859 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.137 7.633 3.048 1.00 0.00 H new ATOM 752 N PHE A 52 -8.766 7.843 5.948 1.00 0.00 N ATOM 753 CA PHE A 52 -7.762 8.689 6.663 1.00 0.00 C ATOM 754 C PHE A 52 -7.159 9.743 5.713 1.00 0.00 C ATOM 755 O PHE A 52 -7.086 10.917 6.062 1.00 0.00 O ATOM 756 CB PHE A 52 -6.612 7.846 7.301 1.00 0.00 C ATOM 757 CG PHE A 52 -6.984 7.119 8.582 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.666 7.788 9.604 1.00 0.00 C ATOM 759 CD2 PHE A 52 -6.642 5.780 8.780 1.00 0.00 C ATOM 760 CE1 PHE A 52 -7.991 7.142 10.777 1.00 0.00 C ATOM 761 CE2 PHE A 52 -6.971 5.149 9.958 1.00 0.00 C ATOM 762 CZ PHE A 52 -7.644 5.824 10.952 1.00 0.00 C ATOM 0 H PHE A 52 -8.504 6.860 5.872 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.299 9.186 7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.271 7.112 6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.769 8.506 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.941 8.824 9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.118 5.238 8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.518 7.671 11.558 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.699 4.114 10.104 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.899 5.317 11.871 1.00 0.00 H new ATOM 772 N SER A 53 -6.739 9.304 4.503 1.00 0.00 N ATOM 773 CA SER A 53 -6.213 10.212 3.442 1.00 0.00 C ATOM 774 C SER A 53 -7.228 11.339 3.099 1.00 0.00 C ATOM 775 O SER A 53 -6.850 12.482 2.808 1.00 0.00 O ATOM 776 CB SER A 53 -5.876 9.395 2.170 1.00 0.00 C ATOM 777 OG SER A 53 -5.393 10.220 1.119 1.00 0.00 O ATOM 0 H SER A 53 -6.752 8.321 4.231 1.00 0.00 H new ATOM 0 HA SER A 53 -5.307 10.685 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.127 8.641 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.767 8.864 1.834 1.00 0.00 H new ATOM 0 HG SER A 53 -5.342 9.698 0.291 1.00 0.00 H new ATOM 783 N ARG A 54 -8.519 10.981 3.154 1.00 0.00 N ATOM 784 CA ARG A 54 -9.644 11.924 3.010 1.00 0.00 C ATOM 785 C ARG A 54 -9.796 12.851 4.261 1.00 0.00 C ATOM 786 O ARG A 54 -9.628 14.067 4.171 1.00 0.00 O ATOM 787 CB ARG A 54 -10.942 11.085 2.785 1.00 0.00 C ATOM 788 CG ARG A 54 -12.265 11.866 2.933 1.00 0.00 C ATOM 789 CD ARG A 54 -13.499 10.959 3.063 1.00 0.00 C ATOM 790 NE ARG A 54 -14.653 11.700 3.599 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.606 11.207 4.355 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.672 9.937 4.624 1.00 0.00 N ATOM 793 NH2 ARG A 54 -16.501 12.000 4.826 1.00 0.00 N ATOM 0 H ARG A 54 -8.818 10.017 3.301 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.457 12.582 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.905 10.650 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.947 10.256 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.202 12.509 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.392 12.518 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.752 10.543 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.268 10.118 3.717 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.718 12.690 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.973 9.298 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.423 9.579 5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.464 12.996 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.248 11.633 5.415 1.00 0.00 H new ATOM 807 N ASP A 55 -10.026 12.239 5.438 1.00 0.00 N ATOM 808 CA ASP A 55 -10.550 12.939 6.645 1.00 0.00 C ATOM 809 C ASP A 55 -9.422 13.609 7.472 1.00 0.00 C ATOM 810 O ASP A 55 -9.682 14.323 8.448 1.00 0.00 O ATOM 811 CB ASP A 55 -11.373 11.927 7.500 1.00 0.00 C ATOM 812 CG ASP A 55 -12.211 12.579 8.615 1.00 0.00 C ATOM 813 OD1 ASP A 55 -13.210 13.252 8.296 1.00 0.00 O ATOM 814 OD2 ASP A 55 -11.881 12.418 9.810 1.00 0.00 O ATOM 0 H ASP A 55 -9.856 11.244 5.588 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.202 13.751 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.037 11.368 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.689 11.207 7.949 1.00 0.00 H new ATOM 819 N ARG A 56 -8.167 13.388 7.063 1.00 0.00 N ATOM 820 CA ARG A 56 -6.985 14.035 7.672 1.00 0.00 C ATOM 821 C ARG A 56 -6.351 15.021 6.658 1.00 0.00 C ATOM 822 O ARG A 56 -5.681 15.984 7.052 1.00 0.00 O ATOM 823 CB ARG A 56 -5.964 12.955 8.132 1.00 0.00 C ATOM 824 CG ARG A 56 -4.772 13.480 8.967 1.00 0.00 C ATOM 825 CD ARG A 56 -5.203 14.081 10.322 1.00 0.00 C ATOM 826 NE ARG A 56 -4.055 14.591 11.098 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.696 14.190 12.306 1.00 0.00 C ATOM 828 NH1 ARG A 56 -4.354 13.264 12.942 1.00 0.00 N ATOM 829 NH2 ARG A 56 -2.659 14.713 12.864 1.00 0.00 N ATOM 0 H ARG A 56 -7.935 12.754 6.298 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.289 14.601 8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.494 12.205 8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.572 12.450 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.072 12.663 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.239 14.238 8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.911 14.892 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.724 13.322 10.905 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.488 15.318 10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.169 12.829 12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.055 12.974 13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.123 15.430 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.374 14.410 13.795 1.00 0.00 H new ATOM 843 N GLY A 57 -6.586 14.768 5.350 1.00 0.00 N ATOM 844 CA GLY A 57 -6.114 15.646 4.273 1.00 0.00 C ATOM 845 C GLY A 57 -7.035 16.856 4.042 1.00 0.00 C ATOM 846 O GLY A 57 -7.140 17.736 4.901 1.00 0.00 O ATOM 0 H GLY A 57 -7.105 13.954 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.111 15.999 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.038 15.072 3.350 1.00 0.00 H new ATOM 850 N ASN A 58 -7.713 16.889 2.878 1.00 0.00 N ATOM 851 CA ASN A 58 -8.609 18.015 2.465 1.00 0.00 C ATOM 852 C ASN A 58 -9.986 17.497 1.990 1.00 0.00 C ATOM 853 O ASN A 58 -10.717 18.217 1.287 1.00 0.00 O ATOM 854 CB ASN A 58 -7.926 18.851 1.338 1.00 0.00 C ATOM 855 CG ASN A 58 -6.632 19.559 1.762 1.00 0.00 C ATOM 856 OD1 ASN A 58 -5.704 19.703 0.977 1.00 0.00 O ATOM 857 ND2 ASN A 58 -6.561 20.035 2.993 1.00 0.00 N ATOM 0 H ASN A 58 -7.662 16.139 2.188 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.777 18.651 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.706 18.192 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.633 19.599 0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.724 20.531 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.343 19.907 3.635 1.00 0.00 H new ATOM 864 N ASP A 59 -10.329 16.256 2.408 1.00 0.00 N ATOM 865 CA ASP A 59 -11.555 15.527 1.996 1.00 0.00 C ATOM 866 C ASP A 59 -11.539 15.124 0.485 1.00 0.00 C ATOM 867 O ASP A 59 -10.823 15.711 -0.329 1.00 0.00 O ATOM 868 CB ASP A 59 -12.850 16.313 2.389 1.00 0.00 C ATOM 869 CG ASP A 59 -14.143 15.604 1.960 1.00 0.00 C ATOM 870 OD1 ASP A 59 -14.348 14.451 2.376 1.00 0.00 O ATOM 871 OD2 ASP A 59 -14.939 16.185 1.191 1.00 0.00 O ATOM 0 H ASP A 59 -9.750 15.721 3.055 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.566 14.590 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.865 16.459 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.818 17.303 1.934 1.00 0.00 H new ATOM 876 N LEU A 60 -12.333 14.094 0.141 1.00 0.00 N ATOM 877 CA LEU A 60 -12.473 13.599 -1.244 1.00 0.00 C ATOM 878 C LEU A 60 -13.843 12.898 -1.429 1.00 0.00 C ATOM 879 O LEU A 60 -14.651 13.292 -2.277 1.00 0.00 O ATOM 880 CB LEU A 60 -11.306 12.625 -1.597 1.00 0.00 C ATOM 881 CG LEU A 60 -11.261 12.093 -3.073 1.00 0.00 C ATOM 882 CD1 LEU A 60 -11.084 13.247 -4.087 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.168 11.009 -3.246 1.00 0.00 C ATOM 0 H LEU A 60 -12.898 13.579 0.816 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.426 14.450 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.364 13.131 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.363 11.767 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.223 11.625 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.057 12.842 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.919 13.942 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.151 13.772 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.162 10.660 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.194 11.432 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.378 10.171 -2.581 1.00 0.00 H new ATOM 895 N MET A 61 -14.099 11.862 -0.605 1.00 0.00 N ATOM 896 CA MET A 61 -15.268 10.958 -0.763 1.00 0.00 C ATOM 897 C MET A 61 -16.412 11.306 0.232 1.00 0.00 C ATOM 898 O MET A 61 -16.438 10.826 1.363 1.00 0.00 O ATOM 899 CB MET A 61 -14.796 9.481 -0.602 1.00 0.00 C ATOM 900 CG MET A 61 -13.717 9.049 -1.615 1.00 0.00 C ATOM 901 SD MET A 61 -13.148 7.347 -1.388 1.00 0.00 S ATOM 902 CE MET A 61 -12.366 7.415 0.224 1.00 0.00 C ATOM 0 H MET A 61 -13.505 11.624 0.189 1.00 0.00 H new ATOM 0 HA MET A 61 -15.684 11.094 -1.761 1.00 0.00 H new ATOM 0 HB2 MET A 61 -14.407 9.343 0.407 1.00 0.00 H new ATOM 0 HB3 MET A 61 -15.659 8.822 -0.704 1.00 0.00 H new ATOM 0 HG2 MET A 61 -14.114 9.159 -2.624 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.864 9.722 -1.533 1.00 0.00 H new ATOM 0 HE1 MET A 61 -11.372 6.971 0.165 1.00 0.00 H new ATOM 0 HE2 MET A 61 -12.281 8.454 0.544 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.969 6.862 0.944 1.00 0.00 H new ATOM 912 N THR A 62 -17.349 12.163 -0.213 1.00 0.00 N ATOM 913 CA THR A 62 -18.525 12.618 0.590 1.00 0.00 C ATOM 914 C THR A 62 -19.827 12.553 -0.251 1.00 0.00 C ATOM 915 O THR A 62 -19.749 12.412 -1.480 1.00 0.00 O ATOM 916 CB THR A 62 -18.314 14.090 1.131 1.00 0.00 C ATOM 917 OG1 THR A 62 -17.642 14.893 0.146 1.00 0.00 O ATOM 918 CG2 THR A 62 -17.539 14.116 2.452 1.00 0.00 C ATOM 0 H THR A 62 -17.321 12.570 -1.148 1.00 0.00 H new ATOM 0 HA THR A 62 -18.618 11.944 1.441 1.00 0.00 H new ATOM 0 HB THR A 62 -19.302 14.507 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 62 -16.820 15.262 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 62 -17.419 15.147 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 62 -18.088 13.554 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 62 -16.557 13.665 2.307 1.00 0.00 H new ATOM 926 N PRO A 63 -21.059 12.595 0.396 1.00 0.00 N ATOM 927 CA PRO A 63 -22.352 12.706 -0.342 1.00 0.00 C ATOM 928 C PRO A 63 -22.450 14.026 -1.163 1.00 0.00 C ATOM 929 O PRO A 63 -22.934 15.055 -0.675 1.00 0.00 O ATOM 930 CB PRO A 63 -23.437 12.618 0.781 1.00 0.00 C ATOM 931 CG PRO A 63 -22.710 12.989 2.043 1.00 0.00 C ATOM 932 CD PRO A 63 -21.294 12.474 1.870 1.00 0.00 C ATOM 0 HA PRO A 63 -22.472 11.923 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -24.265 13.299 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -23.858 11.615 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -22.718 14.068 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -23.186 12.540 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -20.579 13.066 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -21.197 11.443 2.209 1.00 0.00 H new ATOM 940 N ARG A 64 -21.909 13.978 -2.393 1.00 0.00 N ATOM 941 CA ARG A 64 -21.885 15.104 -3.353 1.00 0.00 C ATOM 942 C ARG A 64 -22.425 14.648 -4.734 1.00 0.00 C ATOM 943 O ARG A 64 -22.347 13.456 -5.058 1.00 0.00 O ATOM 944 CB ARG A 64 -20.427 15.630 -3.523 1.00 0.00 C ATOM 945 CG ARG A 64 -19.822 16.316 -2.277 1.00 0.00 C ATOM 946 CD ARG A 64 -18.381 16.803 -2.518 1.00 0.00 C ATOM 947 NE ARG A 64 -17.850 17.551 -1.366 1.00 0.00 N ATOM 948 CZ ARG A 64 -16.599 17.940 -1.216 1.00 0.00 C ATOM 949 NH1 ARG A 64 -15.685 17.612 -2.074 1.00 0.00 N ATOM 950 NH2 ARG A 64 -16.263 18.646 -0.188 1.00 0.00 N ATOM 0 H ARG A 64 -21.465 13.136 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 64 -22.519 15.901 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.787 14.793 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.408 16.338 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.446 17.163 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.832 15.618 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.738 15.946 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.356 17.437 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 64 -18.505 17.788 -0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -15.927 17.042 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.723 17.924 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.965 18.902 0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -15.296 18.948 -0.071 1.00 0.00 H new ATOM 964 N PRO A 65 -22.988 15.585 -5.571 1.00 0.00 N ATOM 965 CA PRO A 65 -23.316 15.291 -6.992 1.00 0.00 C ATOM 966 C PRO A 65 -22.032 14.939 -7.810 1.00 0.00 C ATOM 967 O PRO A 65 -21.974 13.885 -8.456 1.00 0.00 O ATOM 968 CB PRO A 65 -24.004 16.599 -7.491 1.00 0.00 C ATOM 969 CG PRO A 65 -23.553 17.664 -6.527 1.00 0.00 C ATOM 970 CD PRO A 65 -23.390 16.970 -5.191 1.00 0.00 C ATOM 0 HA PRO A 65 -23.961 14.421 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -23.706 16.838 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -25.089 16.500 -7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -22.614 18.113 -6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -24.285 18.469 -6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -22.632 17.455 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -24.317 16.977 -4.618 1.00 0.00 H new ATOM 978 N GLU A 66 -21.022 15.844 -7.742 1.00 0.00 N ATOM 979 CA GLU A 66 -19.637 15.648 -8.267 1.00 0.00 C ATOM 980 C GLU A 66 -19.562 15.482 -9.821 1.00 0.00 C ATOM 981 O GLU A 66 -20.509 15.035 -10.467 1.00 0.00 O ATOM 982 CB GLU A 66 -18.935 14.467 -7.537 1.00 0.00 C ATOM 983 CG GLU A 66 -17.405 14.429 -7.710 1.00 0.00 C ATOM 984 CD GLU A 66 -16.762 13.161 -7.135 1.00 0.00 C ATOM 985 OE1 GLU A 66 -16.720 12.143 -7.848 1.00 0.00 O ATOM 986 OE2 GLU A 66 -16.304 13.177 -5.973 1.00 0.00 O ATOM 0 H GLU A 66 -21.148 16.759 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 66 -19.099 16.571 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -19.166 14.525 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -19.353 13.530 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.164 14.502 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.969 15.302 -7.224 1.00 0.00 H new ATOM 993 N PHE A 67 -18.403 15.851 -10.410 1.00 0.00 N ATOM 994 CA PHE A 67 -18.186 15.807 -11.877 1.00 0.00 C ATOM 995 C PHE A 67 -17.432 14.521 -12.319 1.00 0.00 C ATOM 996 O PHE A 67 -18.073 13.526 -12.688 1.00 0.00 O ATOM 997 CB PHE A 67 -17.449 17.096 -12.340 1.00 0.00 C ATOM 998 CG PHE A 67 -18.245 18.374 -12.073 1.00 0.00 C ATOM 999 CD1 PHE A 67 -19.323 18.727 -12.892 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -17.926 19.216 -11.005 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -20.058 19.870 -12.642 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -18.663 20.358 -10.760 1.00 0.00 C ATOM 1003 CZ PHE A 67 -19.724 20.688 -11.582 1.00 0.00 C ATOM 0 H PHE A 67 -17.594 16.186 -9.887 1.00 0.00 H new ATOM 0 HA PHE A 67 -19.160 15.769 -12.365 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -16.488 17.161 -11.829 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.239 17.023 -13.407 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -19.584 18.098 -13.730 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -17.093 18.971 -10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -20.894 20.123 -13.277 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -18.410 20.994 -9.925 1.00 0.00 H new ATOM 0 HZ PHE A 67 -20.292 21.587 -11.395 1.00 0.00 H new ATOM 1013 N ASN A 68 -16.079 14.530 -12.252 1.00 0.00 N ATOM 1014 CA ASN A 68 -15.241 13.424 -12.779 1.00 0.00 C ATOM 1015 C ASN A 68 -13.846 13.425 -12.102 1.00 0.00 C ATOM 1016 O ASN A 68 -12.963 14.222 -12.450 1.00 0.00 O ATOM 1017 CB ASN A 68 -15.118 13.545 -14.333 1.00 0.00 C ATOM 1018 CG ASN A 68 -14.466 12.332 -15.024 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -13.610 11.649 -14.472 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -14.854 12.064 -16.258 1.00 0.00 N ATOM 0 H ASN A 68 -15.543 15.292 -11.837 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.719 12.473 -12.545 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -16.113 13.693 -14.752 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.537 14.436 -14.569 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.441 11.281 -16.764 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.567 12.640 -16.705 1.00 0.00 H new ATOM 1027 N PHE A 69 -13.675 12.542 -11.109 1.00 0.00 N ATOM 1028 CA PHE A 69 -12.386 12.313 -10.421 1.00 0.00 C ATOM 1029 C PHE A 69 -12.077 10.791 -10.417 1.00 0.00 C ATOM 1030 O PHE A 69 -12.642 10.059 -9.604 1.00 0.00 O ATOM 1031 CB PHE A 69 -12.427 12.865 -8.965 1.00 0.00 C ATOM 1032 CG PHE A 69 -12.646 14.382 -8.874 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -11.564 15.268 -8.907 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -13.930 14.919 -8.772 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -11.766 16.636 -8.840 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -14.129 16.284 -8.704 1.00 0.00 C ATOM 1037 CZ PHE A 69 -13.049 17.144 -8.738 1.00 0.00 C ATOM 0 H PHE A 69 -14.432 11.958 -10.753 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.597 12.844 -10.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.224 12.361 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.491 12.614 -8.466 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.559 14.880 -8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -14.782 14.256 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.921 17.308 -8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.131 16.679 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.206 18.211 -8.685 1.00 0.00 H new ATOM 1047 N PRO A 70 -11.221 10.277 -11.362 1.00 0.00 N ATOM 1048 CA PRO A 70 -10.843 8.830 -11.417 1.00 0.00 C ATOM 1049 C PRO A 70 -9.661 8.452 -10.473 1.00 0.00 C ATOM 1050 O PRO A 70 -9.239 9.257 -9.631 1.00 0.00 O ATOM 1051 CB PRO A 70 -10.468 8.668 -12.911 1.00 0.00 C ATOM 1052 CG PRO A 70 -9.830 9.986 -13.272 1.00 0.00 C ATOM 1053 CD PRO A 70 -10.577 11.046 -12.471 1.00 0.00 C ATOM 0 HA PRO A 70 -11.639 8.170 -11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.779 7.837 -13.062 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.347 8.469 -13.524 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.768 9.986 -13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.909 10.178 -14.342 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.898 11.807 -12.087 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.318 11.560 -13.083 1.00 0.00 H new ATOM 1061 N GLY A 71 -9.156 7.205 -10.608 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.970 6.738 -9.858 1.00 0.00 C ATOM 1063 C GLY A 71 -8.292 5.800 -8.683 1.00 0.00 C ATOM 1064 O GLY A 71 -9.355 5.163 -8.655 1.00 0.00 O ATOM 0 H GLY A 71 -9.554 6.503 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.300 6.222 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.431 7.605 -9.478 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.353 5.722 -7.716 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.451 4.835 -6.526 1.00 0.00 C ATOM 1070 C LEU A 72 -8.522 5.353 -5.532 1.00 0.00 C ATOM 1071 O LEU A 72 -8.407 6.464 -5.009 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.062 4.715 -5.802 1.00 0.00 C ATOM 1073 CG LEU A 72 -4.909 3.966 -6.557 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.336 2.549 -6.978 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.352 4.780 -7.752 1.00 0.00 C ATOM 0 H LEU A 72 -6.497 6.276 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.751 3.847 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.714 5.723 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.223 4.210 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.087 3.863 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.512 2.060 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.600 1.971 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.198 2.611 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.557 4.215 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.152 4.970 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.955 5.729 -7.392 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.571 4.541 -5.293 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.676 4.879 -4.353 1.00 0.00 C ATOM 1089 C LYS A 73 -10.670 3.929 -3.140 1.00 0.00 C ATOM 1090 O LYS A 73 -10.683 4.378 -1.990 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.039 4.807 -5.089 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.157 5.764 -6.286 1.00 0.00 C ATOM 1093 CD LYS A 73 -12.007 7.254 -5.879 1.00 0.00 C ATOM 1094 CE LYS A 73 -12.142 8.196 -7.079 1.00 0.00 C ATOM 1095 NZ LYS A 73 -13.420 7.977 -7.810 1.00 0.00 N ATOM 0 H LYS A 73 -9.683 3.632 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.524 5.895 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.199 3.786 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.835 5.030 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.393 5.514 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.124 5.619 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.764 7.504 -5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.036 7.405 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.091 9.230 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.303 8.043 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.540 8.718 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.400 7.045 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.214 8.014 -7.140 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.693 2.619 -3.461 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.567 1.474 -2.516 1.00 0.00 C ATOM 1111 C ALA A 74 -10.884 0.153 -3.255 1.00 0.00 C ATOM 1112 O ALA A 74 -11.854 0.082 -4.023 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.480 1.603 -1.293 1.00 0.00 C ATOM 0 H ALA A 74 -10.804 2.309 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.540 1.476 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.342 0.739 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.229 2.512 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.519 1.650 -1.618 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.077 -0.896 -2.994 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.179 -2.176 -3.714 1.00 0.00 C ATOM 1121 C GLY A 75 -9.747 -2.077 -5.183 1.00 0.00 C ATOM 1122 O GLY A 75 -10.194 -2.859 -6.031 1.00 0.00 O ATOM 0 H GLY A 75 -9.344 -0.878 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.562 -2.920 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.209 -2.531 -3.667 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.866 -1.104 -5.473 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.285 -0.895 -6.815 1.00 0.00 C ATOM 1128 C ASP A 76 -6.786 -1.270 -6.808 1.00 0.00 C ATOM 1129 O ASP A 76 -5.989 -0.650 -6.090 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.459 0.588 -7.238 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.928 1.024 -7.314 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.616 0.632 -8.277 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.402 1.751 -6.414 1.00 0.00 O ATOM 0 H ASP A 76 -8.533 -0.434 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.804 -1.533 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.933 1.226 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.990 0.740 -8.210 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.406 -2.312 -7.571 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.987 -2.646 -7.799 1.00 0.00 C ATOM 1140 C ARG A 77 -4.567 -2.078 -9.174 1.00 0.00 C ATOM 1141 O ARG A 77 -4.586 -2.785 -10.186 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.800 -4.191 -7.758 1.00 0.00 C ATOM 1143 CG ARG A 77 -3.334 -4.673 -7.944 1.00 0.00 C ATOM 1144 CD ARG A 77 -3.218 -6.170 -8.276 1.00 0.00 C ATOM 1145 NE ARG A 77 -3.928 -6.513 -9.534 1.00 0.00 N ATOM 1146 CZ ARG A 77 -3.495 -7.334 -10.473 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -2.327 -7.877 -10.412 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -4.238 -7.572 -11.501 1.00 0.00 N ATOM 0 H ARG A 77 -7.062 -2.937 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.361 -2.208 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.172 -4.563 -6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.417 -4.639 -8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.868 -4.095 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.774 -4.467 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.166 -6.442 -8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.629 -6.757 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.835 -6.073 -9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.712 -7.676 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.019 -8.508 -11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.152 -7.127 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.911 -8.205 -12.231 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.176 -0.787 -9.196 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.827 -0.058 -10.453 1.00 0.00 C ATOM 1164 C TRP A 78 -2.944 1.159 -10.122 1.00 0.00 C ATOM 1165 O TRP A 78 -3.424 2.081 -9.466 1.00 0.00 O ATOM 1166 CB TRP A 78 -5.103 0.487 -11.196 1.00 0.00 C ATOM 1167 CG TRP A 78 -6.089 -0.554 -11.688 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -7.315 -0.862 -11.144 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.923 -1.429 -12.818 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -7.908 -1.862 -11.864 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -7.082 -2.223 -12.899 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -4.913 -1.613 -13.769 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -7.261 -3.189 -13.890 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -5.089 -2.569 -14.753 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -6.255 -3.348 -14.808 1.00 0.00 C ATOM 0 H TRP A 78 -4.091 -0.216 -8.355 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.310 -0.771 -11.095 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.628 1.164 -10.522 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.775 1.078 -12.051 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.745 -0.384 -10.276 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.819 -2.274 -11.664 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.012 -1.019 -13.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -8.158 -3.789 -13.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -4.316 -2.719 -15.492 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -6.362 -4.087 -15.588 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.681 1.169 -10.622 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.717 2.316 -10.478 1.00 0.00 C ATOM 1188 C CYS A 79 -0.696 2.926 -9.040 1.00 0.00 C ATOM 1189 O CYS A 79 -0.479 4.137 -8.855 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.032 3.402 -11.543 1.00 0.00 C ATOM 1191 SG CYS A 79 0.191 4.742 -11.647 1.00 0.00 S ATOM 0 H CYS A 79 -1.291 0.382 -11.141 1.00 0.00 H new ATOM 0 HA CYS A 79 0.285 1.921 -10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.109 2.923 -12.519 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.008 3.835 -11.323 1.00 0.00 H new ATOM 0 HG CYS A 79 0.532 5.112 -10.448 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.897 2.049 -8.031 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.032 2.439 -6.614 1.00 0.00 C ATOM 1199 C LEU A 80 0.274 3.098 -6.122 1.00 0.00 C ATOM 1200 O LEU A 80 1.342 2.511 -6.233 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.416 1.177 -5.753 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.693 1.352 -4.204 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.403 1.407 -3.350 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.603 2.569 -3.924 1.00 0.00 C ATOM 0 H LEU A 80 -0.970 1.043 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.830 3.173 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.308 0.736 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.612 0.449 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.223 0.451 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.667 1.528 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.158 0.482 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.209 2.250 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.772 2.658 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.122 3.475 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.558 2.433 -4.431 1.00 0.00 H new ATOM 1216 N CYS A 81 0.174 4.334 -5.611 1.00 0.00 N ATOM 1217 CA CYS A 81 1.330 5.057 -5.047 1.00 0.00 C ATOM 1218 C CYS A 81 1.885 4.293 -3.822 1.00 0.00 C ATOM 1219 O CYS A 81 1.258 4.284 -2.754 1.00 0.00 O ATOM 1220 CB CYS A 81 0.912 6.494 -4.673 1.00 0.00 C ATOM 1221 SG CYS A 81 0.223 7.440 -6.058 1.00 0.00 S ATOM 0 H CYS A 81 -0.700 4.859 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 81 2.124 5.117 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.174 6.451 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.779 7.024 -4.279 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.101 8.631 -5.651 1.00 0.00 H new ATOM 1227 N ALA A 82 3.047 3.623 -4.016 1.00 0.00 N ATOM 1228 CA ALA A 82 3.715 2.792 -2.981 1.00 0.00 C ATOM 1229 C ALA A 82 3.998 3.576 -1.677 1.00 0.00 C ATOM 1230 O ALA A 82 4.093 2.984 -0.607 1.00 0.00 O ATOM 1231 CB ALA A 82 5.021 2.193 -3.534 1.00 0.00 C ATOM 0 H ALA A 82 3.552 3.643 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 82 3.024 1.988 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.498 1.587 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.797 1.569 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.693 2.998 -3.831 1.00 0.00 H new ATOM 1237 N SER A 83 4.135 4.909 -1.800 1.00 0.00 N ATOM 1238 CA SER A 83 4.261 5.831 -0.649 1.00 0.00 C ATOM 1239 C SER A 83 3.041 5.754 0.310 1.00 0.00 C ATOM 1240 O SER A 83 3.213 5.747 1.528 1.00 0.00 O ATOM 1241 CB SER A 83 4.436 7.278 -1.162 1.00 0.00 C ATOM 1242 OG SER A 83 5.618 7.405 -1.942 1.00 0.00 O ATOM 0 H SER A 83 4.162 5.382 -2.703 1.00 0.00 H new ATOM 0 HA SER A 83 5.138 5.525 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.570 7.563 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.479 7.964 -0.316 1.00 0.00 H new ATOM 0 HG SER A 83 5.705 8.329 -2.256 1.00 0.00 H new ATOM 1248 N ARG A 84 1.820 5.686 -0.263 1.00 0.00 N ATOM 1249 CA ARG A 84 0.547 5.611 0.510 1.00 0.00 C ATOM 1250 C ARG A 84 0.386 4.254 1.232 1.00 0.00 C ATOM 1251 O ARG A 84 -0.079 4.210 2.377 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.663 5.864 -0.431 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.685 7.267 -1.077 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.816 8.398 -0.037 1.00 0.00 C ATOM 1255 NE ARG A 84 -0.807 9.732 -0.668 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.776 10.621 -0.606 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.862 10.391 0.057 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.652 11.744 -1.223 1.00 0.00 N ATOM 0 H ARG A 84 1.682 5.681 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 84 0.581 6.386 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.657 5.113 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.584 5.723 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.229 7.412 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.517 7.326 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.741 8.269 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.004 8.330 0.678 1.00 0.00 H new ATOM 0 HE ARG A 84 0.025 9.988 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.982 9.505 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.598 11.096 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.806 11.942 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.400 12.436 -1.178 1.00 0.00 H new ATOM 1272 N TRP A 85 0.762 3.153 0.549 1.00 0.00 N ATOM 1273 CA TRP A 85 0.754 1.800 1.152 1.00 0.00 C ATOM 1274 C TRP A 85 1.789 1.724 2.315 1.00 0.00 C ATOM 1275 O TRP A 85 1.446 1.322 3.439 1.00 0.00 O ATOM 1276 CB TRP A 85 0.996 0.702 0.064 1.00 0.00 C ATOM 1277 CG TRP A 85 1.533 -0.591 0.630 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.719 -1.169 0.325 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.941 -1.414 1.654 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.937 -2.252 1.125 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.853 -2.440 1.932 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.251 -1.377 2.364 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.613 -3.413 2.886 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.487 -2.345 3.304 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.440 -3.355 3.561 1.00 0.00 C ATOM 0 H TRP A 85 1.076 3.173 -0.421 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.230 1.605 1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.059 0.502 -0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.696 1.084 -0.679 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.396 -0.822 -0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.777 -2.830 1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.978 -0.600 2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.335 -4.191 3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.413 -2.326 3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.219 -4.102 4.309 1.00 0.00 H new ATOM 1296 N GLN A 86 3.045 2.086 2.004 1.00 0.00 N ATOM 1297 CA GLN A 86 4.141 2.201 2.994 1.00 0.00 C ATOM 1298 C GLN A 86 3.735 3.024 4.244 1.00 0.00 C ATOM 1299 O GLN A 86 4.010 2.630 5.384 1.00 0.00 O ATOM 1300 CB GLN A 86 5.384 2.833 2.308 1.00 0.00 C ATOM 1301 CG GLN A 86 6.667 2.923 3.170 1.00 0.00 C ATOM 1302 CD GLN A 86 6.944 1.682 4.026 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.709 0.566 3.609 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.353 1.879 5.258 1.00 0.00 N ATOM 0 H GLN A 86 3.335 2.310 1.052 1.00 0.00 H new ATOM 0 HA GLN A 86 4.377 1.197 3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.612 2.255 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.120 3.838 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.520 3.094 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.590 3.791 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.544 2.825 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.479 1.086 5.886 1.00 0.00 H new ATOM 1313 N GLU A 87 3.050 4.150 4.000 1.00 0.00 N ATOM 1314 CA GLU A 87 2.571 5.049 5.070 1.00 0.00 C ATOM 1315 C GLU A 87 1.467 4.387 5.926 1.00 0.00 C ATOM 1316 O GLU A 87 1.394 4.637 7.124 1.00 0.00 O ATOM 1317 CB GLU A 87 2.055 6.382 4.465 1.00 0.00 C ATOM 1318 CG GLU A 87 1.626 7.443 5.499 1.00 0.00 C ATOM 1319 CD GLU A 87 1.187 8.766 4.847 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.056 9.630 4.594 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -0.019 8.941 4.569 1.00 0.00 O ATOM 0 H GLU A 87 2.811 4.466 3.060 1.00 0.00 H new ATOM 0 HA GLU A 87 3.416 5.257 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.838 6.805 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.207 6.165 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.806 7.049 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.455 7.636 6.180 1.00 0.00 H new ATOM 1328 N ALA A 88 0.622 3.531 5.301 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.469 2.821 6.007 1.00 0.00 C ATOM 1330 C ALA A 88 0.087 1.796 7.011 1.00 0.00 C ATOM 1331 O ALA A 88 -0.481 1.605 8.091 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.422 2.140 5.017 1.00 0.00 C ATOM 0 H ALA A 88 0.677 3.316 4.305 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.034 3.569 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.212 1.627 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.864 2.891 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.869 1.417 4.418 1.00 0.00 H new ATOM 1338 N PHE A 89 1.197 1.138 6.627 1.00 0.00 N ATOM 1339 CA PHE A 89 1.981 0.281 7.538 1.00 0.00 C ATOM 1340 C PHE A 89 2.469 1.095 8.767 1.00 0.00 C ATOM 1341 O PHE A 89 2.244 0.703 9.918 1.00 0.00 O ATOM 1342 CB PHE A 89 3.182 -0.349 6.773 1.00 0.00 C ATOM 1343 CG PHE A 89 4.164 -1.111 7.675 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.871 -2.396 8.126 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.363 -0.525 8.097 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.743 -3.067 8.959 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.227 -1.202 8.933 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.918 -2.474 9.361 1.00 0.00 C ATOM 0 H PHE A 89 1.575 1.185 5.681 1.00 0.00 H new ATOM 0 HA PHE A 89 1.343 -0.524 7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.799 -1.030 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.722 0.441 6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.951 -2.872 7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.615 0.471 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.502 -4.064 9.298 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.147 -0.734 9.252 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.597 -3.005 10.011 1.00 0.00 H new ATOM 1358 N GLU A 90 3.116 2.236 8.484 1.00 0.00 N ATOM 1359 CA GLU A 90 3.653 3.158 9.517 1.00 0.00 C ATOM 1360 C GLU A 90 2.528 3.823 10.360 1.00 0.00 C ATOM 1361 O GLU A 90 2.757 4.225 11.505 1.00 0.00 O ATOM 1362 CB GLU A 90 4.536 4.234 8.823 1.00 0.00 C ATOM 1363 CG GLU A 90 5.767 3.664 8.078 1.00 0.00 C ATOM 1364 CD GLU A 90 6.574 4.735 7.318 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.245 5.560 7.971 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.541 4.766 6.072 1.00 0.00 O ATOM 0 H GLU A 90 3.286 2.554 7.530 1.00 0.00 H new ATOM 0 HA GLU A 90 4.255 2.577 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.922 4.789 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.878 4.946 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.420 3.170 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.435 2.902 7.373 1.00 0.00 H new ATOM 1373 N ALA A 91 1.309 3.908 9.788 1.00 0.00 N ATOM 1374 CA ALA A 91 0.122 4.517 10.453 1.00 0.00 C ATOM 1375 C ALA A 91 -0.616 3.517 11.385 1.00 0.00 C ATOM 1376 O ALA A 91 -1.563 3.900 12.082 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.841 5.073 9.386 1.00 0.00 C ATOM 0 H ALA A 91 1.112 3.558 8.850 1.00 0.00 H new ATOM 0 HA ALA A 91 0.479 5.330 11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.708 5.518 9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.329 5.832 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.168 4.263 8.734 1.00 0.00 H new ATOM 1383 N GLY A 92 -0.180 2.241 11.375 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.785 1.191 12.213 1.00 0.00 C ATOM 1385 C GLY A 92 -1.999 0.495 11.575 1.00 0.00 C ATOM 1386 O GLY A 92 -2.699 -0.274 12.243 1.00 0.00 O ATOM 0 H GLY A 92 0.591 1.914 10.793 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.027 0.440 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.090 1.631 13.162 1.00 0.00 H new ATOM 1390 N MET A 93 -2.232 0.751 10.273 1.00 0.00 N ATOM 1391 CA MET A 93 -3.359 0.157 9.505 1.00 0.00 C ATOM 1392 C MET A 93 -2.885 -1.071 8.689 1.00 0.00 C ATOM 1393 O MET A 93 -3.130 -2.223 9.078 1.00 0.00 O ATOM 1394 CB MET A 93 -3.973 1.237 8.563 1.00 0.00 C ATOM 1395 CG MET A 93 -4.485 2.477 9.300 1.00 0.00 C ATOM 1396 SD MET A 93 -5.799 2.079 10.469 1.00 0.00 S ATOM 1397 CE MET A 93 -7.132 1.602 9.365 1.00 0.00 C ATOM 0 H MET A 93 -1.647 1.375 9.718 1.00 0.00 H new ATOM 0 HA MET A 93 -4.122 -0.184 10.205 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.221 1.542 7.836 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.796 0.793 8.003 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.659 2.949 9.831 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.853 3.203 8.575 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.070 1.571 9.919 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.212 2.328 8.556 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.924 0.617 8.948 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.171 -0.784 7.579 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.647 -1.783 6.628 1.00 0.00 C ATOM 1409 C ALA A 94 -2.743 -2.756 6.078 1.00 0.00 C ATOM 1410 O ALA A 94 -2.935 -3.841 6.624 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.439 -2.533 7.223 1.00 0.00 C ATOM 0 H ALA A 94 -1.938 0.173 7.315 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.298 -1.230 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.073 -3.263 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.354 -1.821 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.743 -3.046 8.136 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.514 -2.330 5.021 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.452 -3.225 4.259 1.00 0.00 C ATOM 1419 C PRO A 95 -3.774 -4.496 3.627 1.00 0.00 C ATOM 1420 O PRO A 95 -2.554 -4.527 3.461 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.994 -2.285 3.145 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.864 -0.905 3.720 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.592 -0.923 4.532 1.00 0.00 C ATOM 0 HA PRO A 95 -5.212 -3.646 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.419 -2.387 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.031 -2.517 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.815 -0.154 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.723 -0.657 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.725 -0.659 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.632 -0.212 5.357 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.558 -5.576 3.274 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.018 -6.764 2.553 1.00 0.00 C ATOM 1433 C PRO A 96 -3.488 -6.429 1.128 1.00 0.00 C ATOM 1434 O PRO A 96 -4.269 -6.168 0.205 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.227 -7.747 2.496 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.159 -7.263 3.569 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.000 -5.758 3.583 1.00 0.00 C ATOM 0 HA PRO A 96 -3.149 -7.180 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.706 -7.730 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.912 -8.774 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.189 -7.548 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.904 -7.695 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.637 -5.277 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.263 -5.333 4.551 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.152 -6.415 0.974 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.484 -6.199 -0.325 1.00 0.00 C ATOM 1447 C VAL A 97 -1.118 -7.557 -0.972 1.00 0.00 C ATOM 1448 O VAL A 97 -0.971 -8.575 -0.288 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.188 -5.303 -0.158 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.846 -5.979 0.767 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.457 -4.930 -1.524 1.00 0.00 C ATOM 0 H VAL A 97 -1.502 -6.553 1.748 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.178 -5.671 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.512 -4.373 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.723 -5.339 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.405 -6.137 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.141 -6.939 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.341 -4.316 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.743 -5.840 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.261 -4.373 -2.125 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.016 -7.562 -2.299 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.544 -8.721 -3.072 1.00 0.00 C ATOM 1463 C VAL A 98 0.997 -8.932 -2.922 1.00 0.00 C ATOM 1464 O VAL A 98 1.760 -7.971 -2.819 1.00 0.00 O ATOM 1465 CB VAL A 98 -0.926 -8.549 -4.593 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.461 -8.542 -4.805 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.299 -7.267 -5.181 1.00 0.00 C ATOM 0 H VAL A 98 -1.259 -6.758 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.037 -9.608 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.520 -9.411 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.681 -8.421 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.881 -9.484 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.902 -7.716 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.579 -7.174 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.661 -6.399 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.786 -7.322 -5.098 1.00 0.00 H new ATOM 1477 N LEU A 99 1.434 -10.200 -2.851 1.00 0.00 N ATOM 1478 CA LEU A 99 2.874 -10.578 -2.969 1.00 0.00 C ATOM 1479 C LEU A 99 3.176 -11.215 -4.348 1.00 0.00 C ATOM 1480 O LEU A 99 4.338 -11.450 -4.700 1.00 0.00 O ATOM 1481 CB LEU A 99 3.277 -11.580 -1.846 1.00 0.00 C ATOM 1482 CG LEU A 99 3.362 -11.001 -0.409 1.00 0.00 C ATOM 1483 CD1 LEU A 99 3.705 -12.099 0.622 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.364 -9.826 -0.335 1.00 0.00 C ATOM 0 H LEU A 99 0.812 -10.996 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 99 3.457 -9.663 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.558 -12.399 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.246 -12.008 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 99 2.377 -10.610 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.757 -11.659 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.933 -12.868 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.668 -12.545 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.400 -9.443 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.355 -10.174 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.044 -9.032 -1.010 1.00 0.00 H new ATOM 1496 N GLN A 100 2.110 -11.485 -5.111 1.00 0.00 N ATOM 1497 CA GLN A 100 2.154 -12.269 -6.373 1.00 0.00 C ATOM 1498 C GLN A 100 2.019 -11.372 -7.627 1.00 0.00 C ATOM 1499 O GLN A 100 2.003 -11.865 -8.757 1.00 0.00 O ATOM 1500 CB GLN A 100 1.058 -13.398 -6.318 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.187 -13.117 -5.423 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.202 -12.097 -5.960 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -0.884 -11.185 -6.705 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.448 -12.239 -5.558 1.00 0.00 N ATOM 0 H GLN A 100 1.172 -11.164 -4.873 1.00 0.00 H new ATOM 0 HA GLN A 100 3.134 -12.739 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.712 -13.587 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.531 -14.315 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.707 -14.060 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.163 -12.770 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.699 -13.007 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.163 -11.581 -5.870 1.00 0.00 H new ATOM 1513 N SER A 101 1.943 -10.054 -7.404 1.00 0.00 N ATOM 1514 CA SER A 101 1.791 -9.043 -8.475 1.00 0.00 C ATOM 1515 C SER A 101 2.787 -7.888 -8.287 1.00 0.00 C ATOM 1516 O SER A 101 3.507 -7.555 -9.230 1.00 0.00 O ATOM 1517 CB SER A 101 0.339 -8.508 -8.502 1.00 0.00 C ATOM 1518 OG SER A 101 0.183 -7.381 -9.348 1.00 0.00 O ATOM 0 H SER A 101 1.985 -9.649 -6.469 1.00 0.00 H new ATOM 0 HA SER A 101 2.007 -9.521 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.329 -9.302 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.036 -8.241 -7.489 1.00 0.00 H new ATOM 0 HG SER A 101 0.274 -7.659 -10.283 1.00 0.00 H new ATOM 1524 N THR A 102 2.803 -7.304 -7.053 1.00 0.00 N ATOM 1525 CA THR A 102 3.652 -6.129 -6.662 1.00 0.00 C ATOM 1526 C THR A 102 5.078 -6.150 -7.280 1.00 0.00 C ATOM 1527 O THR A 102 5.824 -7.113 -7.108 1.00 0.00 O ATOM 1528 CB THR A 102 3.765 -6.029 -5.100 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.467 -5.844 -4.522 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.661 -4.877 -4.633 1.00 0.00 C ATOM 0 H THR A 102 2.218 -7.639 -6.287 1.00 0.00 H new ATOM 0 HA THR A 102 3.145 -5.253 -7.066 1.00 0.00 H new ATOM 0 HB THR A 102 4.215 -6.965 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.271 -6.587 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.697 -4.863 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.667 -5.016 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.257 -3.932 -4.995 1.00 0.00 H new ATOM 1538 N GLU A 103 5.423 -5.068 -8.007 1.00 0.00 N ATOM 1539 CA GLU A 103 6.660 -4.966 -8.819 1.00 0.00 C ATOM 1540 C GLU A 103 7.906 -4.541 -7.995 1.00 0.00 C ATOM 1541 O GLU A 103 7.811 -4.200 -6.814 1.00 0.00 O ATOM 1542 CB GLU A 103 6.453 -3.966 -9.998 1.00 0.00 C ATOM 1543 CG GLU A 103 5.361 -4.352 -11.028 1.00 0.00 C ATOM 1544 CD GLU A 103 3.918 -4.027 -10.601 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.293 -4.823 -9.909 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.409 -2.957 -10.951 1.00 0.00 O ATOM 0 H GLU A 103 4.846 -4.228 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 103 6.855 -5.968 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.204 -2.990 -9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.400 -3.855 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.570 -3.838 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.433 -5.421 -11.227 1.00 0.00 H new ATOM 1553 N LYS A 104 9.077 -4.549 -8.677 1.00 0.00 N ATOM 1554 CA LYS A 104 10.391 -4.134 -8.102 1.00 0.00 C ATOM 1555 C LYS A 104 10.397 -2.659 -7.649 1.00 0.00 C ATOM 1556 O LYS A 104 10.982 -2.315 -6.617 1.00 0.00 O ATOM 1557 CB LYS A 104 11.515 -4.333 -9.157 1.00 0.00 C ATOM 1558 CG LYS A 104 11.699 -5.784 -9.643 1.00 0.00 C ATOM 1559 CD LYS A 104 11.994 -6.755 -8.480 1.00 0.00 C ATOM 1560 CE LYS A 104 12.313 -8.175 -8.967 1.00 0.00 C ATOM 1561 NZ LYS A 104 12.486 -9.118 -7.834 1.00 0.00 N ATOM 0 H LYS A 104 9.142 -4.845 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 104 10.565 -4.759 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.300 -3.701 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.457 -3.985 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.798 -6.108 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.516 -5.823 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.835 -6.376 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.134 -6.788 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.509 -8.527 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.222 -8.158 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.116 -9.894 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.902 -8.615 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.561 -9.507 -7.561 1.00 0.00 H new ATOM 1575 N SER A 105 9.736 -1.808 -8.448 1.00 0.00 N ATOM 1576 CA SER A 105 9.688 -0.341 -8.217 1.00 0.00 C ATOM 1577 C SER A 105 8.979 0.009 -6.884 1.00 0.00 C ATOM 1578 O SER A 105 9.277 1.034 -6.258 1.00 0.00 O ATOM 1579 CB SER A 105 9.003 0.373 -9.399 1.00 0.00 C ATOM 1580 OG SER A 105 8.977 1.778 -9.222 1.00 0.00 O ATOM 0 H SER A 105 9.218 -2.108 -9.274 1.00 0.00 H new ATOM 0 HA SER A 105 10.717 0.012 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.529 0.133 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.984 0.001 -9.507 1.00 0.00 H new ATOM 0 HG SER A 105 8.047 2.088 -9.199 1.00 0.00 H new ATOM 1586 N ALA A 106 8.052 -0.868 -6.461 1.00 0.00 N ATOM 1587 CA ALA A 106 7.375 -0.759 -5.155 1.00 0.00 C ATOM 1588 C ALA A 106 8.366 -0.928 -3.981 1.00 0.00 C ATOM 1589 O ALA A 106 8.379 -0.114 -3.058 1.00 0.00 O ATOM 1590 CB ALA A 106 6.262 -1.798 -5.060 1.00 0.00 C ATOM 0 H ALA A 106 7.751 -1.671 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 106 6.946 0.241 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.766 -1.712 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.537 -1.628 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.687 -2.797 -5.163 1.00 0.00 H new ATOM 1596 N LEU A 107 9.224 -1.978 -4.070 1.00 0.00 N ATOM 1597 CA LEU A 107 10.249 -2.323 -3.033 1.00 0.00 C ATOM 1598 C LEU A 107 11.258 -1.172 -2.766 1.00 0.00 C ATOM 1599 O LEU A 107 11.959 -1.186 -1.754 1.00 0.00 O ATOM 1600 CB LEU A 107 11.025 -3.625 -3.430 1.00 0.00 C ATOM 1601 CG LEU A 107 10.308 -4.995 -3.164 1.00 0.00 C ATOM 1602 CD1 LEU A 107 8.958 -5.112 -3.899 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.234 -6.183 -3.514 1.00 0.00 C ATOM 0 H LEU A 107 9.229 -2.616 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 107 9.698 -2.491 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.260 -3.567 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.974 -3.630 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 107 10.088 -5.030 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.507 -6.079 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.292 -4.316 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.120 -5.023 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.712 -7.120 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.509 -6.132 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.134 -6.135 -2.901 1.00 0.00 H new ATOM 1615 N ARG A 108 11.309 -0.190 -3.675 1.00 0.00 N ATOM 1616 CA ARG A 108 12.184 0.990 -3.550 1.00 0.00 C ATOM 1617 C ARG A 108 11.603 1.976 -2.518 1.00 0.00 C ATOM 1618 O ARG A 108 12.334 2.584 -1.731 1.00 0.00 O ATOM 1619 CB ARG A 108 12.336 1.669 -4.935 1.00 0.00 C ATOM 1620 CG ARG A 108 12.991 0.769 -6.010 1.00 0.00 C ATOM 1621 CD ARG A 108 13.023 1.426 -7.401 1.00 0.00 C ATOM 1622 NE ARG A 108 13.687 2.746 -7.390 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.296 3.308 -8.410 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.458 2.675 -9.532 1.00 0.00 N ATOM 1625 NH2 ARG A 108 14.760 4.510 -8.286 1.00 0.00 N ATOM 0 H ARG A 108 10.743 -0.189 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 108 13.168 0.677 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.352 1.979 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.933 2.574 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.009 0.528 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.445 -0.172 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.542 0.768 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.003 1.539 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 108 13.671 3.267 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.109 1.722 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.934 3.131 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.651 5.010 -7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.235 4.957 -9.070 1.00 0.00 H new ATOM 1639 N TYR A 109 10.269 2.117 -2.542 1.00 0.00 N ATOM 1640 CA TYR A 109 9.525 3.015 -1.634 1.00 0.00 C ATOM 1641 C TYR A 109 9.163 2.311 -0.302 1.00 0.00 C ATOM 1642 O TYR A 109 9.173 2.950 0.754 1.00 0.00 O ATOM 1643 CB TYR A 109 8.243 3.528 -2.349 1.00 0.00 C ATOM 1644 CG TYR A 109 8.516 4.500 -3.519 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.064 4.056 -4.731 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.229 5.862 -3.400 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.312 4.935 -5.769 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.473 6.742 -4.434 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.015 6.279 -5.616 1.00 0.00 C ATOM 1650 OH TYR A 109 9.259 7.162 -6.645 1.00 0.00 O ATOM 0 H TYR A 109 9.670 1.611 -3.194 1.00 0.00 H new ATOM 0 HA TYR A 109 10.166 3.861 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.683 2.672 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.608 4.027 -1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.296 3.009 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.807 6.234 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.735 4.575 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.241 7.790 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 109 8.992 8.064 -6.372 1.00 0.00 H new ATOM 1660 N VAL A 110 8.838 1.000 -0.354 1.00 0.00 N ATOM 1661 CA VAL A 110 8.403 0.236 0.847 1.00 0.00 C ATOM 1662 C VAL A 110 9.538 -0.574 1.506 1.00 0.00 C ATOM 1663 O VAL A 110 9.872 -0.313 2.664 1.00 0.00 O ATOM 1664 CB VAL A 110 7.179 -0.730 0.559 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.954 0.047 0.161 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.441 -1.768 -0.528 1.00 0.00 C ATOM 0 H VAL A 110 8.867 0.446 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 110 8.084 1.009 1.546 1.00 0.00 H new ATOM 0 HB VAL A 110 7.026 -1.257 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.132 -0.643 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.677 0.728 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.164 0.620 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.554 -2.387 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.675 -1.263 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.281 -2.397 -0.235 1.00 0.00 H new ATOM 1676 N SER A 111 10.174 -1.457 0.694 1.00 0.00 N ATOM 1677 CA SER A 111 10.836 -2.722 1.125 1.00 0.00 C ATOM 1678 C SER A 111 9.803 -3.863 1.240 1.00 0.00 C ATOM 1679 O SER A 111 8.722 -3.677 1.802 1.00 0.00 O ATOM 1680 CB SER A 111 11.624 -2.603 2.436 1.00 0.00 C ATOM 1681 OG SER A 111 12.275 -3.811 2.795 1.00 0.00 O ATOM 0 H SER A 111 10.244 -1.306 -0.312 1.00 0.00 H new ATOM 0 HA SER A 111 11.565 -2.949 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.366 -1.810 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.946 -2.308 3.237 1.00 0.00 H new ATOM 0 HG SER A 111 12.764 -3.682 3.635 1.00 0.00 H new ATOM 1687 N LEU A 112 10.158 -5.037 0.690 1.00 0.00 N ATOM 1688 CA LEU A 112 9.314 -6.265 0.715 1.00 0.00 C ATOM 1689 C LEU A 112 8.781 -6.626 2.130 1.00 0.00 C ATOM 1690 O LEU A 112 7.695 -7.185 2.255 1.00 0.00 O ATOM 1691 CB LEU A 112 10.097 -7.444 0.040 1.00 0.00 C ATOM 1692 CG LEU A 112 9.606 -8.928 0.289 1.00 0.00 C ATOM 1693 CD1 LEU A 112 9.934 -9.852 -0.902 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.210 -9.526 1.595 1.00 0.00 C ATOM 0 H LEU A 112 11.047 -5.171 0.208 1.00 0.00 H new ATOM 0 HA LEU A 112 8.412 -6.065 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.091 -7.271 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.135 -7.381 0.367 1.00 0.00 H new ATOM 0 HG LEU A 112 8.523 -8.874 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.580 -10.860 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.442 -9.477 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.012 -9.872 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.848 -10.545 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.298 -9.533 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.907 -8.918 2.448 1.00 0.00 H new ATOM 1706 N ALA A 113 9.552 -6.285 3.180 1.00 0.00 N ATOM 1707 CA ALA A 113 9.186 -6.585 4.590 1.00 0.00 C ATOM 1708 C ALA A 113 7.821 -5.971 4.990 1.00 0.00 C ATOM 1709 O ALA A 113 7.047 -6.584 5.734 1.00 0.00 O ATOM 1710 CB ALA A 113 10.288 -6.067 5.518 1.00 0.00 C ATOM 0 H ALA A 113 10.442 -5.797 3.083 1.00 0.00 H new ATOM 0 HA ALA A 113 9.088 -7.666 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.024 -6.285 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.230 -6.557 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.395 -4.990 5.390 1.00 0.00 H new ATOM 1716 N ASP A 114 7.532 -4.768 4.458 1.00 0.00 N ATOM 1717 CA ASP A 114 6.307 -4.013 4.762 1.00 0.00 C ATOM 1718 C ASP A 114 5.097 -4.610 4.006 1.00 0.00 C ATOM 1719 O ASP A 114 3.970 -4.581 4.509 1.00 0.00 O ATOM 1720 CB ASP A 114 6.537 -2.531 4.389 1.00 0.00 C ATOM 1721 CG ASP A 114 7.810 -1.961 5.051 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.927 -2.327 4.626 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.711 -1.164 6.003 1.00 0.00 O ATOM 0 H ASP A 114 8.149 -4.291 3.800 1.00 0.00 H new ATOM 0 HA ASP A 114 6.081 -4.081 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.618 -2.438 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.673 -1.941 4.696 1.00 0.00 H new ATOM 1728 N LEU A 115 5.373 -5.180 2.808 1.00 0.00 N ATOM 1729 CA LEU A 115 4.387 -5.931 2.008 1.00 0.00 C ATOM 1730 C LEU A 115 3.938 -7.197 2.774 1.00 0.00 C ATOM 1731 O LEU A 115 2.761 -7.362 3.088 1.00 0.00 O ATOM 1732 CB LEU A 115 5.021 -6.333 0.646 1.00 0.00 C ATOM 1733 CG LEU A 115 5.509 -5.153 -0.249 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.370 -5.639 -1.414 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.332 -4.338 -0.790 1.00 0.00 C ATOM 0 H LEU A 115 6.293 -5.129 2.371 1.00 0.00 H new ATOM 0 HA LEU A 115 3.516 -5.301 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.868 -6.991 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.290 -6.913 0.083 1.00 0.00 H new ATOM 0 HG LEU A 115 6.120 -4.514 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.689 -4.785 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.247 -6.158 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.790 -6.321 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.708 -3.524 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.688 -4.982 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.761 -3.927 0.042 1.00 0.00 H new ATOM 1747 N GLN A 116 4.934 -8.027 3.141 1.00 0.00 N ATOM 1748 CA GLN A 116 4.722 -9.340 3.802 1.00 0.00 C ATOM 1749 C GLN A 116 4.110 -9.196 5.212 1.00 0.00 C ATOM 1750 O GLN A 116 3.404 -10.098 5.683 1.00 0.00 O ATOM 1751 CB GLN A 116 6.070 -10.112 3.872 1.00 0.00 C ATOM 1752 CG GLN A 116 6.769 -10.296 2.497 1.00 0.00 C ATOM 1753 CD GLN A 116 7.380 -11.692 2.264 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.793 -12.372 3.198 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.458 -12.118 1.010 1.00 0.00 N ATOM 0 H GLN A 116 5.918 -7.808 2.988 1.00 0.00 H new ATOM 0 HA GLN A 116 4.006 -9.902 3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.746 -9.581 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.892 -11.094 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.045 -10.095 1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.558 -9.549 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.108 -11.534 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.868 -13.029 0.806 1.00 0.00 H new ATOM 1764 N ALA A 117 4.407 -8.051 5.861 1.00 0.00 N ATOM 1765 CA ALA A 117 3.848 -7.673 7.194 1.00 0.00 C ATOM 1766 C ALA A 117 2.302 -7.820 7.288 1.00 0.00 C ATOM 1767 O ALA A 117 1.779 -8.250 8.323 1.00 0.00 O ATOM 1768 CB ALA A 117 4.254 -6.239 7.543 1.00 0.00 C ATOM 0 H ALA A 117 5.045 -7.352 5.480 1.00 0.00 H new ATOM 0 HA ALA A 117 4.270 -8.375 7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.843 -5.971 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.341 -6.166 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.868 -5.557 6.786 1.00 0.00 H new ATOM 1774 N HIS A 118 1.584 -7.471 6.201 1.00 0.00 N ATOM 1775 CA HIS A 118 0.100 -7.598 6.138 1.00 0.00 C ATOM 1776 C HIS A 118 -0.372 -8.142 4.772 1.00 0.00 C ATOM 1777 O HIS A 118 -1.403 -7.723 4.238 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.586 -6.238 6.498 1.00 0.00 C ATOM 1779 CG HIS A 118 -1.124 -6.191 7.908 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.534 -5.477 8.924 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -2.227 -6.760 8.450 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.241 -5.614 10.028 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -2.272 -6.381 9.764 1.00 0.00 N ATOM 0 H HIS A 118 2.002 -7.097 5.349 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.206 -8.331 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.134 -5.430 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.403 -6.056 5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.938 -7.394 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.011 -5.171 10.986 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.993 -6.652 10.433 1.00 0.00 H new ATOM 1792 N ALA A 119 0.377 -9.108 4.232 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.028 -9.888 3.039 1.00 0.00 C ATOM 1794 C ALA A 119 -0.249 -11.377 3.396 1.00 0.00 C ATOM 1795 O ALA A 119 -0.232 -11.747 4.575 1.00 0.00 O ATOM 1796 CB ALA A 119 1.035 -9.732 1.949 1.00 0.00 C ATOM 0 H ALA A 119 1.287 -9.379 4.605 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.977 -9.503 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.741 -10.304 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.130 -8.680 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.992 -10.101 2.319 1.00 0.00 H new ATOM 1802 N LEU A 120 -0.463 -12.220 2.366 1.00 0.00 N ATOM 1803 CA LEU A 120 -0.662 -13.676 2.538 1.00 0.00 C ATOM 1804 C LEU A 120 0.584 -14.374 3.175 1.00 0.00 C ATOM 1805 O LEU A 120 1.727 -13.989 2.881 1.00 0.00 O ATOM 1806 CB LEU A 120 -1.067 -14.321 1.168 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.111 -14.084 -0.073 1.00 0.00 C ATOM 1808 CD1 LEU A 120 1.090 -15.065 -0.113 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.897 -14.130 -1.402 1.00 0.00 C ATOM 0 H LEU A 120 -0.503 -11.914 1.394 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.478 -13.829 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.159 -15.397 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.057 -13.950 0.903 1.00 0.00 H new ATOM 0 HG LEU A 120 0.305 -13.085 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.706 -14.850 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.687 -14.946 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.721 -16.089 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.214 -13.964 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.371 -15.105 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.662 -13.353 -1.400 1.00 0.00 H new ATOM 1821 N PRO A 121 0.379 -15.372 4.093 1.00 0.00 N ATOM 1822 CA PRO A 121 1.489 -16.206 4.644 1.00 0.00 C ATOM 1823 C PRO A 121 2.077 -17.168 3.574 1.00 0.00 C ATOM 1824 O PRO A 121 1.334 -17.900 2.906 1.00 0.00 O ATOM 1825 CB PRO A 121 0.810 -16.974 5.810 1.00 0.00 C ATOM 1826 CG PRO A 121 -0.643 -17.044 5.421 1.00 0.00 C ATOM 1827 CD PRO A 121 -0.938 -15.750 4.686 1.00 0.00 C ATOM 0 HA PRO A 121 2.344 -15.614 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.237 -17.970 5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.942 -16.453 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -0.836 -17.908 4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -1.279 -17.148 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.698 -15.890 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.308 -14.980 5.363 1.00 0.00 H new ATOM 1835 N VAL A 122 3.413 -17.158 3.412 1.00 0.00 N ATOM 1836 CA VAL A 122 4.106 -17.944 2.368 1.00 0.00 C ATOM 1837 C VAL A 122 5.522 -18.362 2.837 1.00 0.00 C ATOM 1838 O VAL A 122 6.218 -17.599 3.517 1.00 0.00 O ATOM 1839 CB VAL A 122 4.172 -17.127 1.018 1.00 0.00 C ATOM 1840 CG1 VAL A 122 4.946 -15.792 1.197 1.00 0.00 C ATOM 1841 CG2 VAL A 122 4.747 -17.974 -0.148 1.00 0.00 C ATOM 0 H VAL A 122 4.042 -16.608 3.997 1.00 0.00 H new ATOM 0 HA VAL A 122 3.536 -18.855 2.188 1.00 0.00 H new ATOM 0 HB VAL A 122 3.147 -16.874 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.972 -15.256 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.446 -15.179 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 122 5.965 -16.003 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.774 -17.372 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.757 -18.299 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.115 -18.847 -0.310 1.00 0.00 H new ATOM 1851 N LEU A 123 5.923 -19.595 2.485 1.00 0.00 N ATOM 1852 CA LEU A 123 7.262 -20.138 2.779 1.00 0.00 C ATOM 1853 C LEU A 123 7.940 -20.639 1.484 1.00 0.00 C ATOM 1854 O LEU A 123 7.909 -21.826 1.141 1.00 0.00 O ATOM 1855 CB LEU A 123 7.181 -21.209 3.900 1.00 0.00 C ATOM 1856 CG LEU A 123 5.878 -22.092 3.959 1.00 0.00 C ATOM 1857 CD1 LEU A 123 5.941 -23.339 3.050 1.00 0.00 C ATOM 1858 CD2 LEU A 123 5.546 -22.466 5.414 1.00 0.00 C ATOM 0 H LEU A 123 5.322 -20.250 1.984 1.00 0.00 H new ATOM 0 HA LEU A 123 7.902 -19.345 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.036 -21.876 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.290 -20.703 4.859 1.00 0.00 H new ATOM 0 HG LEU A 123 5.067 -21.483 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.012 -23.902 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.079 -23.028 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.777 -23.969 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.643 -23.076 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.375 -23.029 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.385 -21.558 5.995 1.00 0.00 H new ATOM 1870 N GLU A 124 8.522 -19.682 0.753 1.00 0.00 N ATOM 1871 CA GLU A 124 9.201 -19.930 -0.536 1.00 0.00 C ATOM 1872 C GLU A 124 10.553 -20.662 -0.324 1.00 0.00 C ATOM 1873 O GLU A 124 11.371 -20.243 0.508 1.00 0.00 O ATOM 1874 CB GLU A 124 9.451 -18.590 -1.275 1.00 0.00 C ATOM 1875 CG GLU A 124 8.192 -17.759 -1.600 1.00 0.00 C ATOM 1876 CD GLU A 124 8.513 -16.355 -2.167 1.00 0.00 C ATOM 1877 OE1 GLU A 124 9.027 -16.263 -3.314 1.00 0.00 O ATOM 1878 OE2 GLU A 124 8.247 -15.337 -1.469 1.00 0.00 O ATOM 0 H GLU A 124 8.538 -18.702 1.037 1.00 0.00 H new ATOM 0 HA GLU A 124 8.552 -20.565 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.119 -17.980 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.974 -18.803 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.582 -18.303 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.594 -17.650 -0.695 1.00 0.00 H new ATOM 1885 N HIS A 125 10.787 -21.736 -1.099 1.00 0.00 N ATOM 1886 CA HIS A 125 12.017 -22.550 -0.995 1.00 0.00 C ATOM 1887 C HIS A 125 13.215 -21.830 -1.656 1.00 0.00 C ATOM 1888 O HIS A 125 13.183 -21.514 -2.843 1.00 0.00 O ATOM 1889 CB HIS A 125 11.795 -23.954 -1.610 1.00 0.00 C ATOM 1890 CG HIS A 125 10.932 -24.846 -0.760 1.00 0.00 C ATOM 1891 ND1 HIS A 125 11.404 -25.987 -0.146 1.00 0.00 N ATOM 1892 CD2 HIS A 125 9.629 -24.743 -0.398 1.00 0.00 C ATOM 1893 CE1 HIS A 125 10.437 -26.544 0.550 1.00 0.00 C ATOM 1894 NE2 HIS A 125 9.354 -25.813 0.414 1.00 0.00 N ATOM 0 H HIS A 125 10.135 -22.065 -1.811 1.00 0.00 H new ATOM 0 HA HIS A 125 12.253 -22.679 0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 125 11.335 -23.844 -2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 125 12.762 -24.433 -1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 125 8.939 -23.966 -0.693 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.519 -27.449 1.134 1.00 0.00 H new ATOM 0 HE2 HIS A 125 8.451 -26.010 0.845 1.00 0.00 H new ATOM 1903 N HIS A 126 14.266 -21.587 -0.858 1.00 0.00 N ATOM 1904 CA HIS A 126 15.462 -20.821 -1.283 1.00 0.00 C ATOM 1905 C HIS A 126 16.408 -21.676 -2.170 1.00 0.00 C ATOM 1906 O HIS A 126 17.154 -21.130 -2.991 1.00 0.00 O ATOM 1907 CB HIS A 126 16.211 -20.300 -0.028 1.00 0.00 C ATOM 1908 CG HIS A 126 15.328 -19.575 0.959 1.00 0.00 C ATOM 1909 ND1 HIS A 126 15.306 -19.865 2.307 1.00 0.00 N ATOM 1910 CD2 HIS A 126 14.435 -18.568 0.787 1.00 0.00 C ATOM 1911 CE1 HIS A 126 14.442 -19.079 2.915 1.00 0.00 C ATOM 1912 NE2 HIS A 126 13.899 -18.284 2.016 1.00 0.00 N ATOM 0 H HIS A 126 14.317 -21.915 0.106 1.00 0.00 H new ATOM 0 HA HIS A 126 15.133 -19.977 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 126 16.685 -21.143 0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 126 17.009 -19.629 -0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.192 -18.081 -0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 126 14.217 -19.085 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 126 13.193 -17.572 2.204 1.00 0.00 H new ATOM 1921 N HIS A 127 16.327 -23.023 -1.995 1.00 0.00 N ATOM 1922 CA HIS A 127 17.159 -24.031 -2.701 1.00 0.00 C ATOM 1923 C HIS A 127 18.678 -23.814 -2.425 1.00 0.00 C ATOM 1924 O HIS A 127 19.210 -24.344 -1.436 1.00 0.00 O ATOM 1925 CB HIS A 127 16.854 -24.063 -4.225 1.00 0.00 C ATOM 1926 CG HIS A 127 15.403 -24.228 -4.569 1.00 0.00 C ATOM 1927 ND1 HIS A 127 14.605 -23.178 -4.972 1.00 0.00 N ATOM 1928 CD2 HIS A 127 14.611 -25.327 -4.610 1.00 0.00 C ATOM 1929 CE1 HIS A 127 13.400 -23.619 -5.243 1.00 0.00 C ATOM 1930 NE2 HIS A 127 13.374 -24.918 -5.035 1.00 0.00 N ATOM 0 H HIS A 127 15.666 -23.446 -1.344 1.00 0.00 H new ATOM 0 HA HIS A 127 16.892 -25.008 -2.299 1.00 0.00 H new ATOM 0 HB2 HIS A 127 17.217 -23.139 -4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 127 17.416 -24.880 -4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 127 14.900 -26.336 -4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.569 -23.017 -5.580 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.564 -25.523 -5.169 1.00 0.00 H new ATOM 1939 N HIS A 128 19.338 -22.987 -3.287 1.00 0.00 N ATOM 1940 CA HIS A 128 20.780 -22.633 -3.217 1.00 0.00 C ATOM 1941 C HIS A 128 21.722 -23.859 -3.406 1.00 0.00 C ATOM 1942 O HIS A 128 22.316 -24.011 -4.482 1.00 0.00 O ATOM 1943 CB HIS A 128 21.100 -21.851 -1.918 1.00 0.00 C ATOM 1944 CG HIS A 128 22.526 -21.384 -1.783 1.00 0.00 C ATOM 1945 ND1 HIS A 128 23.234 -20.813 -2.817 1.00 0.00 N ATOM 1946 CD2 HIS A 128 23.373 -21.411 -0.728 1.00 0.00 C ATOM 1947 CE1 HIS A 128 24.442 -20.510 -2.407 1.00 0.00 C ATOM 1948 NE2 HIS A 128 24.557 -20.856 -1.145 1.00 0.00 N ATOM 0 H HIS A 128 18.864 -22.538 -4.071 1.00 0.00 H new ATOM 0 HA HIS A 128 20.981 -21.976 -4.063 1.00 0.00 H new ATOM 0 HB2 HIS A 128 20.444 -20.982 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 128 20.860 -22.484 -1.064 1.00 0.00 H new ATOM 0 HD2 HIS A 128 23.158 -21.797 0.257 1.00 0.00 H new ATOM 0 HE1 HIS A 128 25.214 -20.052 -3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 128 25.390 -20.732 -0.569 1.00 0.00 H new ATOM 1957 N HIS A 129 21.839 -24.704 -2.345 1.00 0.00 N ATOM 1958 CA HIS A 129 22.780 -25.859 -2.254 1.00 0.00 C ATOM 1959 C HIS A 129 24.251 -25.365 -2.156 1.00 0.00 C ATOM 1960 O HIS A 129 24.699 -24.603 -3.009 1.00 0.00 O ATOM 1961 CB HIS A 129 22.600 -26.873 -3.423 1.00 0.00 C ATOM 1962 CG HIS A 129 23.365 -28.158 -3.249 1.00 0.00 C ATOM 1963 ND1 HIS A 129 24.712 -28.280 -3.517 1.00 0.00 N ATOM 1964 CD2 HIS A 129 22.963 -29.377 -2.814 1.00 0.00 C ATOM 1965 CE1 HIS A 129 25.103 -29.510 -3.258 1.00 0.00 C ATOM 1966 NE2 HIS A 129 24.063 -30.194 -2.831 1.00 0.00 N ATOM 0 H HIS A 129 21.267 -24.599 -1.507 1.00 0.00 H new ATOM 0 HA HIS A 129 22.535 -26.398 -1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 129 21.540 -27.106 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 129 22.915 -26.399 -4.352 1.00 0.00 H new ATOM 0 HD2 HIS A 129 21.964 -29.653 -2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 129 26.106 -29.892 -3.376 1.00 0.00 H new ATOM 0 HE2 HIS A 129 24.074 -31.176 -2.556 1.00 0.00 H new ATOM 1975 N HIS A 130 24.986 -25.835 -1.118 1.00 0.00 N ATOM 1976 CA HIS A 130 26.342 -25.330 -0.763 1.00 0.00 C ATOM 1977 C HIS A 130 26.282 -23.814 -0.367 1.00 0.00 C ATOM 1978 O HIS A 130 26.479 -22.927 -1.229 1.00 0.00 O ATOM 1979 CB HIS A 130 27.379 -25.635 -1.895 1.00 0.00 C ATOM 1980 CG HIS A 130 28.725 -24.956 -1.744 1.00 0.00 C ATOM 1981 ND1 HIS A 130 29.012 -23.750 -2.351 1.00 0.00 N ATOM 1982 CD2 HIS A 130 29.838 -25.286 -1.044 1.00 0.00 C ATOM 1983 CE1 HIS A 130 30.226 -23.371 -2.041 1.00 0.00 C ATOM 1984 NE2 HIS A 130 30.753 -24.281 -1.247 1.00 0.00 N ATOM 1985 OXT HIS A 130 25.985 -23.519 0.811 1.00 0.00 O ATOM 0 H HIS A 130 24.657 -26.577 -0.500 1.00 0.00 H new ATOM 0 HA HIS A 130 26.697 -25.867 0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 130 27.538 -26.713 -1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 130 26.946 -25.338 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 130 29.979 -26.171 -0.441 1.00 0.00 H new ATOM 0 HE1 HIS A 130 30.712 -22.467 -2.378 1.00 0.00 H new ATOM 0 HE2 HIS A 130 31.691 -24.245 -0.847 1.00 0.00 H new TER 1994 HIS A 130