USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= 0.463 K(o=2.5,f=-5.6!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -179:sc= 2.06 (180deg=0.793) USER MOD Set 2.1: A 78 SER OG : rot -80:sc= 1.5 USER MOD Set 2.2: A 80 CYS SG : rot 98:sc= 0.163 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -179:sc= 1.83 (180deg=1.12) USER MOD Set 3.2: A 60 GLN : amide:sc= -0.407 K(o=1.4,f=-2.4) USER MOD Set 4.1: A 43 HIS : no HD1:sc= 0.576 K(o=0.66,f=-5.2!) USER MOD Set 4.2: A 45 THR OG1 : rot 180:sc= 0.081 USER MOD Set 5.1: A 12 SER OG : rot 30:sc= 1.48 USER MOD Set 5.2: A 62 SER OG : rot 165:sc= 1.5 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.01 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.11) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.21) USER MOD Single : A 5 MET CE :methyl -165:sc= -0.0412 (180deg=-0.841) USER MOD Single : A 8 CYS SG : rot -140:sc= 0.689 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.219 K(o=0.22,f=-3.2!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 16 GLN : amide:sc= 1.6 K(o=1.6,f=-0.3) USER MOD Single : A 17 MET CE :methyl 165:sc= -0.942 (180deg=-1.4) USER MOD Single : A 24 THR OG1 : rot 90:sc= 1.13 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 SER OG : rot -74:sc= 1.27 USER MOD Single : A 35 CYS SG : rot 55:sc= 0.328 USER MOD Single : A 39 SER OG : rot -29:sc= 1.26 USER MOD Single : A 40 SER OG : rot 80:sc= 0.64 USER MOD Single : A 49 MET CE :methyl -161:sc= 0 (180deg=-0.0613) USER MOD Single : A 50 MET CE :methyl 166:sc= -0.859 (180deg=-1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -14:sc= 1.19 USER MOD Single : A 67 ASN : amide:sc= 1.72 K(o=1.7,f=0) USER MOD Single : A 69 ASN : amide:sc= 1.01 K(o=1,f=-0.035) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00862 K(o=-0.0086,f=-1.1) USER MOD Single : A 92 THR OG1 : rot -35:sc= 0.293 USER MOD Single : A 93 GLN : amide:sc= -0.464! C(o=-0.46!,f=-4.8!) USER MOD Single : A 100 GLN : amide:sc= 0.583 K(o=0.58,f=-7.1!) USER MOD Single : A 107 GLN : amide:sc= 0.751 K(o=0.75,f=-0.48) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 114 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= -0.0653 X(o=-0.065,f=-0.065) USER MOD Single : A 120 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.17) USER MOD Single : A 131 SER OG : rot 69:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.632 2.464 1.180 1.00 0.00 N ATOM 2 CA MET A 1 3.792 2.187 -0.285 1.00 0.00 C ATOM 3 C MET A 1 4.726 0.982 -0.525 1.00 0.00 C ATOM 4 O MET A 1 5.713 0.823 0.188 1.00 0.00 O ATOM 5 CB MET A 1 4.280 3.450 -1.051 1.00 0.00 C ATOM 6 CG MET A 1 4.385 3.268 -2.580 1.00 0.00 C ATOM 7 SD MET A 1 4.840 4.760 -3.509 1.00 0.00 S ATOM 8 CE MET A 1 3.243 5.622 -3.581 1.00 0.00 C ATOM 0 H1 MET A 1 3.753 3.482 1.356 1.00 0.00 H new ATOM 0 H2 MET A 1 2.683 2.170 1.487 1.00 0.00 H new ATOM 0 H3 MET A 1 4.349 1.933 1.714 1.00 0.00 H new ATOM 0 HA MET A 1 2.811 1.926 -0.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.597 4.273 -0.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.257 3.740 -0.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.122 2.492 -2.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.427 2.906 -2.953 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.360 6.560 -4.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.514 4.995 -4.094 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.895 5.829 -2.569 1.00 0.00 H new ATOM 18 N LYS A 2 4.445 0.148 -1.543 1.00 0.00 N ATOM 19 CA LYS A 2 5.295 -1.005 -1.932 1.00 0.00 C ATOM 20 C LYS A 2 6.594 -0.552 -2.585 1.00 0.00 C ATOM 21 O LYS A 2 6.577 0.374 -3.395 1.00 0.00 O ATOM 22 CB LYS A 2 4.565 -1.930 -2.919 1.00 0.00 C ATOM 23 CG LYS A 2 3.276 -2.573 -2.380 1.00 0.00 C ATOM 24 CD LYS A 2 2.476 -3.188 -3.542 1.00 0.00 C ATOM 25 CE LYS A 2 1.665 -2.149 -4.343 1.00 0.00 C ATOM 26 NZ LYS A 2 0.310 -1.908 -3.763 1.00 0.00 N ATOM 0 H LYS A 2 3.615 0.252 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 2 5.517 -1.543 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.321 -1.359 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.248 -2.723 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.521 -3.342 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.672 -1.825 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.163 -3.700 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.796 -3.942 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.216 -1.209 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.560 -2.491 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.231 -1.281 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.191 -2.814 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.407 -1.461 -2.829 1.00 0.00 H new ATOM 40 N LYS A 3 7.685 -1.272 -2.328 1.00 0.00 N ATOM 41 CA LYS A 3 8.971 -1.095 -3.018 1.00 0.00 C ATOM 42 C LYS A 3 9.291 -2.294 -3.912 1.00 0.00 C ATOM 43 O LYS A 3 9.245 -3.440 -3.469 1.00 0.00 O ATOM 44 CB LYS A 3 10.041 -0.809 -1.959 1.00 0.00 C ATOM 45 CG LYS A 3 11.340 -0.215 -2.521 1.00 0.00 C ATOM 46 CD LYS A 3 12.354 0.110 -1.410 1.00 0.00 C ATOM 47 CE LYS A 3 11.787 1.099 -0.373 1.00 0.00 C ATOM 48 NZ LYS A 3 12.808 1.481 0.641 1.00 0.00 N ATOM 0 H LYS A 3 7.705 -2.009 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 3 8.932 -0.245 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.630 -0.121 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.275 -1.736 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.786 -0.919 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.111 0.692 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.647 -0.812 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.255 0.531 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.428 1.993 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.929 0.650 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.469 2.301 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.971 0.683 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.698 1.726 0.162 1.00 0.00 H new ATOM 62 N VAL A 4 9.608 -2.005 -5.172 1.00 0.00 N ATOM 63 CA VAL A 4 9.961 -2.968 -6.220 1.00 0.00 C ATOM 64 C VAL A 4 11.476 -3.015 -6.405 1.00 0.00 C ATOM 65 O VAL A 4 12.073 -2.012 -6.793 1.00 0.00 O ATOM 66 CB VAL A 4 9.272 -2.615 -7.552 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.606 -3.640 -8.647 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.748 -2.596 -7.400 1.00 0.00 C ATOM 0 H VAL A 4 9.627 -1.043 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 4 9.611 -3.952 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 4 9.641 -1.628 -7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.103 -3.360 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.683 -3.660 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.268 -4.628 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.290 -2.344 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.402 -3.579 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.466 -1.852 -6.655 1.00 0.00 H new ATOM 78 N MET A 5 12.096 -4.172 -6.169 1.00 0.00 N ATOM 79 CA MET A 5 13.501 -4.409 -6.528 1.00 0.00 C ATOM 80 C MET A 5 13.566 -5.135 -7.874 1.00 0.00 C ATOM 81 O MET A 5 13.036 -6.240 -7.987 1.00 0.00 O ATOM 82 CB MET A 5 14.227 -5.228 -5.451 1.00 0.00 C ATOM 83 CG MET A 5 15.710 -5.433 -5.790 1.00 0.00 C ATOM 84 SD MET A 5 16.724 -3.934 -5.773 1.00 0.00 S ATOM 85 CE MET A 5 17.340 -4.009 -4.068 1.00 0.00 C ATOM 0 H MET A 5 11.643 -4.971 -5.725 1.00 0.00 H new ATOM 0 HA MET A 5 14.003 -3.445 -6.604 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.141 -4.721 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.742 -6.198 -5.344 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.132 -6.145 -5.081 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.780 -5.888 -6.778 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.761 -3.043 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.518 -4.254 -3.395 1.00 0.00 H new ATOM 0 HE3 MET A 5 18.111 -4.776 -3.993 1.00 0.00 H new ATOM 95 N PHE A 6 14.254 -4.565 -8.863 1.00 0.00 N ATOM 96 CA PHE A 6 14.578 -5.248 -10.120 1.00 0.00 C ATOM 97 C PHE A 6 15.986 -5.862 -10.050 1.00 0.00 C ATOM 98 O PHE A 6 16.965 -5.121 -9.956 1.00 0.00 O ATOM 99 CB PHE A 6 14.406 -4.272 -11.290 1.00 0.00 C ATOM 100 CG PHE A 6 12.955 -3.938 -11.588 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.148 -4.874 -12.259 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.403 -2.704 -11.199 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.818 -4.562 -12.593 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.068 -2.393 -11.529 1.00 0.00 C ATOM 105 CZ PHE A 6 10.283 -3.310 -12.254 1.00 0.00 C ATOM 0 H PHE A 6 14.606 -3.609 -8.816 1.00 0.00 H new ATOM 0 HA PHE A 6 13.890 -6.078 -10.285 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.945 -3.351 -11.067 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.863 -4.701 -12.182 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.553 -5.841 -12.520 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.002 -1.995 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.208 -5.287 -13.111 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.645 -1.447 -11.224 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.276 -3.051 -12.547 1.00 0.00 H new ATOM 115 N VAL A 7 16.108 -7.195 -10.098 1.00 0.00 N ATOM 116 CA VAL A 7 17.384 -7.926 -9.926 1.00 0.00 C ATOM 117 C VAL A 7 17.893 -8.576 -11.216 1.00 0.00 C ATOM 118 O VAL A 7 17.098 -9.015 -12.043 1.00 0.00 O ATOM 119 CB VAL A 7 17.363 -8.934 -8.755 1.00 0.00 C ATOM 120 CG1 VAL A 7 16.944 -8.275 -7.442 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.445 -10.141 -8.967 1.00 0.00 C ATOM 0 H VAL A 7 15.312 -7.812 -10.260 1.00 0.00 H new ATOM 0 HA VAL A 7 18.104 -7.153 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 7 18.393 -9.288 -8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.943 -9.019 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.646 -7.479 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.944 -7.856 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.495 -10.793 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.420 -9.798 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.766 -10.692 -9.851 1.00 0.00 H new ATOM 131 N CYS A 8 19.216 -8.659 -11.400 1.00 0.00 N ATOM 132 CA CYS A 8 19.827 -9.287 -12.583 1.00 0.00 C ATOM 133 C CYS A 8 21.160 -9.993 -12.268 1.00 0.00 C ATOM 134 O CYS A 8 21.891 -9.580 -11.368 1.00 0.00 O ATOM 135 CB CYS A 8 20.016 -8.202 -13.657 1.00 0.00 C ATOM 136 SG CYS A 8 20.271 -8.975 -15.281 1.00 0.00 S ATOM 0 H CYS A 8 19.896 -8.293 -10.734 1.00 0.00 H new ATOM 0 HA CYS A 8 19.161 -10.071 -12.943 1.00 0.00 H new ATOM 0 HB2 CYS A 8 19.141 -7.552 -13.687 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.871 -7.574 -13.405 1.00 0.00 H new ATOM 0 HG CYS A 8 21.184 -8.320 -15.935 1.00 0.00 H new ATOM 142 N LYS A 9 21.514 -11.031 -13.034 1.00 0.00 N ATOM 143 CA LYS A 9 22.809 -11.733 -12.948 1.00 0.00 C ATOM 144 C LYS A 9 23.923 -10.849 -13.542 1.00 0.00 C ATOM 145 O LYS A 9 24.085 -10.771 -14.758 1.00 0.00 O ATOM 146 CB LYS A 9 22.665 -13.107 -13.640 1.00 0.00 C ATOM 147 CG LYS A 9 23.909 -13.992 -13.457 1.00 0.00 C ATOM 148 CD LYS A 9 23.723 -15.359 -14.128 1.00 0.00 C ATOM 149 CE LYS A 9 24.983 -16.219 -13.950 1.00 0.00 C ATOM 150 NZ LYS A 9 24.847 -17.545 -14.618 1.00 0.00 N ATOM 0 H LYS A 9 20.898 -11.419 -13.748 1.00 0.00 H new ATOM 0 HA LYS A 9 23.097 -11.919 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.793 -13.623 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.483 -12.957 -14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.780 -13.492 -13.881 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.107 -14.130 -12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.863 -15.869 -13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.514 -15.225 -15.189 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.844 -15.692 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.176 -16.365 -12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.717 -18.096 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.041 -18.059 -14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.688 -17.406 -15.636 1.00 0.00 H new ATOM 164 N ARG A 10 24.663 -10.162 -12.659 1.00 0.00 N ATOM 165 CA ARG A 10 25.645 -9.093 -12.960 1.00 0.00 C ATOM 166 C ARG A 10 25.067 -7.977 -13.837 1.00 0.00 C ATOM 167 O ARG A 10 24.455 -7.074 -13.280 1.00 0.00 O ATOM 168 CB ARG A 10 27.002 -9.662 -13.436 1.00 0.00 C ATOM 169 CG ARG A 10 27.672 -10.520 -12.355 1.00 0.00 C ATOM 170 CD ARG A 10 29.124 -10.833 -12.730 1.00 0.00 C ATOM 171 NE ARG A 10 29.739 -11.747 -11.753 1.00 0.00 N ATOM 172 CZ ARG A 10 30.977 -12.200 -11.743 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.867 -11.867 -12.638 1.00 0.00 N ATOM 174 NH2 ARG A 10 31.321 -13.021 -10.798 1.00 0.00 N ATOM 0 H ARG A 10 24.593 -10.343 -11.658 1.00 0.00 H new ATOM 0 HA ARG A 10 25.870 -8.591 -12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 10 26.850 -10.262 -14.333 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.664 -8.841 -13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.643 -9.996 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 10 27.117 -11.449 -12.226 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.158 -11.281 -13.723 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.698 -9.908 -12.778 1.00 0.00 H new ATOM 0 HE ARG A 10 29.136 -12.067 -10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.617 -11.227 -13.392 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.812 -12.247 -12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.641 -13.298 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.272 -13.389 -10.763 1.00 0.00 H new ATOM 188 N ASN A 11 25.255 -8.035 -15.160 1.00 0.00 N ATOM 189 CA ASN A 11 24.884 -7.014 -16.159 1.00 0.00 C ATOM 190 C ASN A 11 23.518 -6.367 -15.868 1.00 0.00 C ATOM 191 O ASN A 11 22.462 -6.897 -16.215 1.00 0.00 O ATOM 192 CB ASN A 11 24.926 -7.680 -17.556 1.00 0.00 C ATOM 193 CG ASN A 11 24.452 -6.794 -18.709 1.00 0.00 C ATOM 194 OD1 ASN A 11 24.152 -5.615 -18.570 1.00 0.00 O ATOM 195 ND2 ASN A 11 24.358 -7.364 -19.885 1.00 0.00 N ATOM 0 H ASN A 11 25.698 -8.845 -15.594 1.00 0.00 H new ATOM 0 HA ASN A 11 25.598 -6.191 -16.116 1.00 0.00 H new ATOM 0 HB2 ASN A 11 25.948 -7.999 -17.759 1.00 0.00 H new ATOM 0 HB3 ASN A 11 24.310 -8.579 -17.532 1.00 0.00 H new ATOM 0 HD21 ASN A 11 24.034 -6.825 -20.688 1.00 0.00 H new ATOM 0 HD22 ASN A 11 24.609 -8.346 -19.997 1.00 0.00 H new ATOM 202 N SER A 12 23.542 -5.187 -15.242 1.00 0.00 N ATOM 203 CA SER A 12 22.337 -4.501 -14.763 1.00 0.00 C ATOM 204 C SER A 12 21.702 -3.583 -15.804 1.00 0.00 C ATOM 205 O SER A 12 20.912 -2.721 -15.438 1.00 0.00 O ATOM 206 CB SER A 12 22.619 -3.780 -13.445 1.00 0.00 C ATOM 207 OG SER A 12 22.998 -4.723 -12.465 1.00 0.00 O ATOM 0 H SER A 12 24.404 -4.676 -15.052 1.00 0.00 H new ATOM 0 HA SER A 12 21.588 -5.270 -14.577 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.411 -3.044 -13.583 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.732 -3.236 -13.118 1.00 0.00 H new ATOM 0 HG SER A 12 23.452 -5.477 -12.895 1.00 0.00 H new ATOM 213 N CYS A 13 22.007 -3.712 -17.098 1.00 0.00 N ATOM 214 CA CYS A 13 21.367 -2.889 -18.136 1.00 0.00 C ATOM 215 C CYS A 13 19.852 -3.162 -18.225 1.00 0.00 C ATOM 216 O CYS A 13 19.077 -2.239 -18.428 1.00 0.00 O ATOM 217 CB CYS A 13 22.107 -3.118 -19.471 1.00 0.00 C ATOM 218 SG CYS A 13 21.636 -1.851 -20.688 1.00 0.00 S ATOM 0 H CYS A 13 22.693 -4.377 -17.455 1.00 0.00 H new ATOM 0 HA CYS A 13 21.448 -1.833 -17.877 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.184 -3.089 -19.306 1.00 0.00 H new ATOM 0 HB3 CYS A 13 21.871 -4.109 -19.859 1.00 0.00 H new ATOM 0 HG CYS A 13 22.272 -2.062 -21.802 1.00 0.00 H new ATOM 224 N ARG A 14 19.411 -4.408 -17.976 1.00 0.00 N ATOM 225 CA ARG A 14 17.992 -4.822 -17.999 1.00 0.00 C ATOM 226 C ARG A 14 17.282 -4.465 -16.693 1.00 0.00 C ATOM 227 O ARG A 14 16.172 -3.966 -16.744 1.00 0.00 O ATOM 228 CB ARG A 14 17.873 -6.323 -18.363 1.00 0.00 C ATOM 229 CG ARG A 14 18.507 -6.675 -19.731 1.00 0.00 C ATOM 230 CD ARG A 14 19.653 -7.699 -19.633 1.00 0.00 C ATOM 231 NE ARG A 14 19.193 -8.993 -19.078 1.00 0.00 N ATOM 232 CZ ARG A 14 18.578 -9.975 -19.716 1.00 0.00 C ATOM 233 NH1 ARG A 14 18.331 -9.950 -20.991 1.00 0.00 N ATOM 234 NH2 ARG A 14 18.150 -11.016 -19.077 1.00 0.00 N ATOM 0 H ARG A 14 20.044 -5.175 -17.748 1.00 0.00 H new ATOM 0 HA ARG A 14 17.477 -4.262 -18.780 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.352 -6.917 -17.585 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.820 -6.604 -18.376 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.734 -7.070 -20.390 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.884 -5.763 -20.193 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.081 -7.860 -20.622 1.00 0.00 H new ATOM 0 HD3 ARG A 14 20.447 -7.296 -19.004 1.00 0.00 H new ATOM 0 HE ARG A 14 19.372 -9.145 -18.085 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.615 -9.145 -21.550 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.853 -10.735 -21.433 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.285 -11.087 -18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.677 -11.766 -19.582 1.00 0.00 H new ATOM 248 N SER A 15 17.922 -4.620 -15.533 1.00 0.00 N ATOM 249 CA SER A 15 17.357 -4.229 -14.222 1.00 0.00 C ATOM 250 C SER A 15 17.304 -2.713 -14.027 1.00 0.00 C ATOM 251 O SER A 15 16.286 -2.202 -13.572 1.00 0.00 O ATOM 252 CB SER A 15 18.153 -4.883 -13.095 1.00 0.00 C ATOM 253 OG SER A 15 19.527 -4.706 -13.379 1.00 0.00 O ATOM 0 H SER A 15 18.856 -5.023 -15.467 1.00 0.00 H new ATOM 0 HA SER A 15 16.327 -4.584 -14.198 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.900 -4.431 -12.136 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.911 -5.943 -13.022 1.00 0.00 H new ATOM 0 HG SER A 15 20.063 -5.116 -12.669 1.00 0.00 H new ATOM 259 N GLN A 16 18.334 -1.970 -14.449 1.00 0.00 N ATOM 260 CA GLN A 16 18.296 -0.495 -14.458 1.00 0.00 C ATOM 261 C GLN A 16 17.319 0.026 -15.516 1.00 0.00 C ATOM 262 O GLN A 16 16.661 1.026 -15.267 1.00 0.00 O ATOM 263 CB GLN A 16 19.699 0.109 -14.636 1.00 0.00 C ATOM 264 CG GLN A 16 20.579 -0.133 -13.395 1.00 0.00 C ATOM 265 CD GLN A 16 22.059 0.129 -13.636 1.00 0.00 C ATOM 266 OE1 GLN A 16 22.703 0.955 -13.011 1.00 0.00 O ATOM 267 NE2 GLN A 16 22.654 -0.596 -14.555 1.00 0.00 N ATOM 0 H GLN A 16 19.210 -2.365 -14.791 1.00 0.00 H new ATOM 0 HA GLN A 16 17.931 -0.170 -13.484 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.176 -0.329 -15.513 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.615 1.180 -14.820 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.233 0.508 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.450 -1.164 -13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.122 -1.289 -15.082 1.00 0.00 H new ATOM 0 HE22 GLN A 16 23.648 -0.466 -14.742 1.00 0.00 H new ATOM 276 N MET A 17 17.131 -0.662 -16.655 1.00 0.00 N ATOM 277 CA MET A 17 16.045 -0.323 -17.592 1.00 0.00 C ATOM 278 C MET A 17 14.665 -0.616 -17.012 1.00 0.00 C ATOM 279 O MET A 17 13.775 0.218 -17.133 1.00 0.00 O ATOM 280 CB MET A 17 16.197 -1.060 -18.934 1.00 0.00 C ATOM 281 CG MET A 17 16.989 -0.240 -19.950 1.00 0.00 C ATOM 282 SD MET A 17 15.935 0.839 -20.957 1.00 0.00 S ATOM 283 CE MET A 17 15.419 2.168 -19.831 1.00 0.00 C ATOM 0 H MET A 17 17.710 -1.449 -16.948 1.00 0.00 H new ATOM 0 HA MET A 17 16.127 0.750 -17.763 1.00 0.00 H new ATOM 0 HB2 MET A 17 16.697 -2.014 -18.769 1.00 0.00 H new ATOM 0 HB3 MET A 17 15.210 -1.284 -19.339 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.726 0.367 -19.425 1.00 0.00 H new ATOM 0 HG3 MET A 17 17.540 -0.915 -20.604 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.007 2.995 -20.409 1.00 0.00 H new ATOM 0 HE2 MET A 17 14.660 1.790 -19.146 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.280 2.517 -19.261 1.00 0.00 H new ATOM 293 N ALA A 18 14.487 -1.763 -16.352 1.00 0.00 N ATOM 294 CA ALA A 18 13.217 -2.103 -15.692 1.00 0.00 C ATOM 295 C ALA A 18 12.871 -1.077 -14.612 1.00 0.00 C ATOM 296 O ALA A 18 11.766 -0.543 -14.589 1.00 0.00 O ATOM 297 CB ALA A 18 13.303 -3.542 -15.179 1.00 0.00 C ATOM 0 H ALA A 18 15.209 -2.478 -16.258 1.00 0.00 H new ATOM 0 HA ALA A 18 12.389 -2.057 -16.400 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.368 -3.809 -14.687 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.478 -4.217 -16.017 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.125 -3.626 -14.468 1.00 0.00 H new ATOM 303 N GLU A 19 13.862 -0.682 -13.813 1.00 0.00 N ATOM 304 CA GLU A 19 13.741 0.446 -12.894 1.00 0.00 C ATOM 305 C GLU A 19 13.450 1.754 -13.634 1.00 0.00 C ATOM 306 O GLU A 19 12.572 2.483 -13.203 1.00 0.00 O ATOM 307 CB GLU A 19 15.013 0.536 -12.041 1.00 0.00 C ATOM 308 CG GLU A 19 15.150 1.873 -11.310 1.00 0.00 C ATOM 309 CD GLU A 19 16.335 1.829 -10.347 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.488 1.652 -10.811 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.137 2.046 -9.135 1.00 0.00 O ATOM 0 H GLU A 19 14.774 -1.138 -13.786 1.00 0.00 H new ATOM 0 HA GLU A 19 12.888 0.280 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.012 -0.273 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.883 0.387 -12.680 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.288 2.678 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.234 2.091 -10.761 1.00 0.00 H new ATOM 318 N GLY A 20 14.120 2.048 -14.749 1.00 0.00 N ATOM 319 CA GLY A 20 13.944 3.278 -15.533 1.00 0.00 C ATOM 320 C GLY A 20 12.525 3.472 -16.065 1.00 0.00 C ATOM 321 O GLY A 20 11.941 4.541 -15.900 1.00 0.00 O ATOM 0 H GLY A 20 14.821 1.421 -15.145 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.210 4.134 -14.913 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.638 3.265 -16.373 1.00 0.00 H new ATOM 325 N PHE A 21 11.914 2.424 -16.616 1.00 0.00 N ATOM 326 CA PHE A 21 10.493 2.471 -16.983 1.00 0.00 C ATOM 327 C PHE A 21 9.601 2.501 -15.737 1.00 0.00 C ATOM 328 O PHE A 21 8.629 3.247 -15.701 1.00 0.00 O ATOM 329 CB PHE A 21 10.158 1.325 -17.951 1.00 0.00 C ATOM 330 CG PHE A 21 10.606 1.638 -19.363 1.00 0.00 C ATOM 331 CD1 PHE A 21 9.817 2.483 -20.167 1.00 0.00 C ATOM 332 CD2 PHE A 21 11.826 1.148 -19.856 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.250 2.843 -21.456 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.255 1.504 -21.145 1.00 0.00 C ATOM 335 CZ PHE A 21 11.474 2.358 -21.944 1.00 0.00 C ATOM 0 H PHE A 21 12.374 1.536 -16.818 1.00 0.00 H new ATOM 0 HA PHE A 21 10.287 3.400 -17.514 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.640 0.408 -17.611 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.083 1.143 -17.942 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.875 2.856 -19.792 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.434 0.498 -19.244 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.642 3.491 -22.069 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.190 1.120 -21.525 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.814 2.640 -22.929 1.00 0.00 H new ATOM 345 N ALA A 22 9.942 1.776 -14.672 1.00 0.00 N ATOM 346 CA ALA A 22 9.096 1.687 -13.477 1.00 0.00 C ATOM 347 C ALA A 22 9.103 2.965 -12.618 1.00 0.00 C ATOM 348 O ALA A 22 8.052 3.347 -12.117 1.00 0.00 O ATOM 349 CB ALA A 22 9.510 0.431 -12.712 1.00 0.00 C ATOM 0 H ALA A 22 10.806 1.237 -14.611 1.00 0.00 H new ATOM 0 HA ALA A 22 8.051 1.603 -13.776 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.899 0.334 -11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.367 -0.445 -13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.560 0.507 -12.430 1.00 0.00 H new ATOM 355 N LYS A 23 10.218 3.700 -12.524 1.00 0.00 N ATOM 356 CA LYS A 23 10.281 5.032 -11.883 1.00 0.00 C ATOM 357 C LYS A 23 9.527 6.109 -12.681 1.00 0.00 C ATOM 358 O LYS A 23 9.106 7.109 -12.110 1.00 0.00 O ATOM 359 CB LYS A 23 11.750 5.431 -11.584 1.00 0.00 C ATOM 360 CG LYS A 23 12.574 5.791 -12.835 1.00 0.00 C ATOM 361 CD LYS A 23 14.056 6.121 -12.574 1.00 0.00 C ATOM 362 CE LYS A 23 14.264 7.503 -11.928 1.00 0.00 C ATOM 363 NZ LYS A 23 15.679 7.970 -12.053 1.00 0.00 N ATOM 0 H LYS A 23 11.116 3.388 -12.894 1.00 0.00 H new ATOM 0 HA LYS A 23 9.760 4.960 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.752 6.283 -10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.240 4.607 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.522 4.958 -13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.108 6.647 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.483 5.356 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.602 6.082 -13.517 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.600 8.228 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.989 7.456 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.781 8.896 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.313 7.283 -11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.929 8.056 -13.059 1.00 0.00 H new ATOM 377 N THR A 24 9.329 5.885 -13.987 1.00 0.00 N ATOM 378 CA THR A 24 8.604 6.795 -14.899 1.00 0.00 C ATOM 379 C THR A 24 7.095 6.502 -14.936 1.00 0.00 C ATOM 380 O THR A 24 6.286 7.419 -14.811 1.00 0.00 O ATOM 381 CB THR A 24 9.208 6.723 -16.317 1.00 0.00 C ATOM 382 OG1 THR A 24 10.598 6.962 -16.265 1.00 0.00 O ATOM 383 CG2 THR A 24 8.637 7.781 -17.261 1.00 0.00 C ATOM 0 H THR A 24 9.675 5.047 -14.455 1.00 0.00 H new ATOM 0 HA THR A 24 8.722 7.807 -14.512 1.00 0.00 H new ATOM 0 HB THR A 24 8.967 5.727 -16.688 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.071 6.114 -16.135 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.100 7.680 -18.243 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.559 7.644 -17.352 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.844 8.774 -16.862 1.00 0.00 H new ATOM 391 N LEU A 25 6.704 5.226 -15.071 1.00 0.00 N ATOM 392 CA LEU A 25 5.307 4.783 -15.251 1.00 0.00 C ATOM 393 C LEU A 25 4.628 4.392 -13.927 1.00 0.00 C ATOM 394 O LEU A 25 3.437 4.626 -13.732 1.00 0.00 O ATOM 395 CB LEU A 25 5.276 3.601 -16.243 1.00 0.00 C ATOM 396 CG LEU A 25 5.949 3.873 -17.600 1.00 0.00 C ATOM 397 CD1 LEU A 25 5.870 2.626 -18.478 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.310 5.031 -18.364 1.00 0.00 C ATOM 0 H LEU A 25 7.366 4.450 -15.058 1.00 0.00 H new ATOM 0 HA LEU A 25 4.740 5.625 -15.648 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.763 2.743 -15.778 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.237 3.321 -16.419 1.00 0.00 H new ATOM 0 HG LEU A 25 6.982 4.141 -17.380 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.348 2.825 -19.437 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.380 1.800 -17.983 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.825 2.362 -18.642 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.829 5.172 -19.312 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.261 4.806 -18.555 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.383 5.943 -17.771 1.00 0.00 H new ATOM 410 N GLY A 26 5.409 3.837 -12.995 1.00 0.00 N ATOM 411 CA GLY A 26 5.029 3.564 -11.603 1.00 0.00 C ATOM 412 C GLY A 26 5.194 4.778 -10.688 1.00 0.00 C ATOM 413 O GLY A 26 4.994 4.650 -9.480 1.00 0.00 O ATOM 0 H GLY A 26 6.367 3.552 -13.198 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.991 3.233 -11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.636 2.743 -11.221 1.00 0.00 H new ATOM 417 N ALA A 27 5.536 5.952 -11.242 1.00 0.00 N ATOM 418 CA ALA A 27 5.566 7.221 -10.501 1.00 0.00 C ATOM 419 C ALA A 27 4.249 7.453 -9.724 1.00 0.00 C ATOM 420 O ALA A 27 3.162 7.477 -10.306 1.00 0.00 O ATOM 421 CB ALA A 27 5.835 8.367 -11.489 1.00 0.00 C ATOM 0 H ALA A 27 5.801 6.047 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 27 6.366 7.184 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.859 9.314 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.794 8.205 -11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.043 8.396 -12.237 1.00 0.00 H new ATOM 427 N GLY A 28 4.345 7.587 -8.395 1.00 0.00 N ATOM 428 CA GLY A 28 3.186 7.735 -7.499 1.00 0.00 C ATOM 429 C GLY A 28 2.365 6.455 -7.254 1.00 0.00 C ATOM 430 O GLY A 28 1.307 6.530 -6.626 1.00 0.00 O ATOM 0 H GLY A 28 5.239 7.596 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.538 8.108 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.524 8.496 -7.913 1.00 0.00 H new ATOM 434 N LYS A 29 2.831 5.283 -7.720 1.00 0.00 N ATOM 435 CA LYS A 29 2.204 3.962 -7.494 1.00 0.00 C ATOM 436 C LYS A 29 3.057 3.102 -6.564 1.00 0.00 C ATOM 437 O LYS A 29 2.541 2.395 -5.702 1.00 0.00 O ATOM 438 CB LYS A 29 2.013 3.218 -8.834 1.00 0.00 C ATOM 439 CG LYS A 29 1.308 3.997 -9.957 1.00 0.00 C ATOM 440 CD LYS A 29 -0.128 4.403 -9.602 1.00 0.00 C ATOM 441 CE LYS A 29 -0.769 5.137 -10.792 1.00 0.00 C ATOM 442 NZ LYS A 29 -2.166 5.563 -10.495 1.00 0.00 N ATOM 0 H LYS A 29 3.680 5.224 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 29 1.233 4.134 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.994 2.910 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.445 2.308 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.885 4.892 -10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.293 3.387 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.714 3.519 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.127 5.047 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.169 6.011 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.766 4.485 -11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.562 6.054 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.745 4.727 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.167 6.206 -9.678 1.00 0.00 H new ATOM 456 N ILE A 30 4.373 3.166 -6.775 1.00 0.00 N ATOM 457 CA ILE A 30 5.390 2.320 -6.148 1.00 0.00 C ATOM 458 C ILE A 30 6.731 3.045 -5.957 1.00 0.00 C ATOM 459 O ILE A 30 7.051 4.011 -6.652 1.00 0.00 O ATOM 460 CB ILE A 30 5.649 1.065 -7.013 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.882 1.387 -8.507 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.539 0.016 -6.829 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.559 0.245 -9.270 1.00 0.00 C ATOM 0 H ILE A 30 4.779 3.844 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 30 4.998 2.050 -5.168 1.00 0.00 H new ATOM 0 HB ILE A 30 6.583 0.637 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.925 1.613 -8.977 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.496 2.284 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.753 -0.853 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.496 -0.288 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.581 0.445 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.694 0.534 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.530 0.034 -8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.935 -0.647 -9.219 1.00 0.00 H new ATOM 475 N ALA A 31 7.539 2.516 -5.037 1.00 0.00 N ATOM 476 CA ALA A 31 8.946 2.871 -4.848 1.00 0.00 C ATOM 477 C ALA A 31 9.791 1.859 -5.645 1.00 0.00 C ATOM 478 O ALA A 31 9.361 0.722 -5.841 1.00 0.00 O ATOM 479 CB ALA A 31 9.269 2.879 -3.348 1.00 0.00 C ATOM 0 H ALA A 31 7.220 1.804 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 31 9.172 3.871 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.317 3.143 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.637 3.610 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.083 1.889 -2.930 1.00 0.00 H new ATOM 485 N VAL A 32 10.977 2.235 -6.126 1.00 0.00 N ATOM 486 CA VAL A 32 11.755 1.404 -7.068 1.00 0.00 C ATOM 487 C VAL A 32 13.256 1.424 -6.754 1.00 0.00 C ATOM 488 O VAL A 32 13.812 2.482 -6.452 1.00 0.00 O ATOM 489 CB VAL A 32 11.522 1.840 -8.532 1.00 0.00 C ATOM 490 CG1 VAL A 32 12.006 0.760 -9.504 1.00 0.00 C ATOM 491 CG2 VAL A 32 10.041 2.080 -8.867 1.00 0.00 C ATOM 0 H VAL A 32 11.429 3.116 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 32 11.396 0.382 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 32 12.078 2.771 -8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.832 1.088 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.072 0.587 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.459 -0.165 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.948 2.383 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.478 1.161 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.645 2.866 -8.224 1.00 0.00 H new ATOM 501 N THR A 33 13.899 0.260 -6.876 1.00 0.00 N ATOM 502 CA THR A 33 15.359 0.075 -6.818 1.00 0.00 C ATOM 503 C THR A 33 15.793 -0.984 -7.846 1.00 0.00 C ATOM 504 O THR A 33 14.997 -1.856 -8.207 1.00 0.00 O ATOM 505 CB THR A 33 15.801 -0.331 -5.402 1.00 0.00 C ATOM 506 OG1 THR A 33 15.256 0.553 -4.441 1.00 0.00 O ATOM 507 CG2 THR A 33 17.311 -0.312 -5.182 1.00 0.00 C ATOM 0 H THR A 33 13.400 -0.617 -7.024 1.00 0.00 H new ATOM 0 HA THR A 33 15.842 1.021 -7.062 1.00 0.00 H new ATOM 0 HB THR A 33 15.441 -1.354 -5.291 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.668 0.382 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.533 -0.611 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.788 -1.006 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.691 0.694 -5.357 1.00 0.00 H new ATOM 515 N SER A 34 17.042 -0.949 -8.323 1.00 0.00 N ATOM 516 CA SER A 34 17.639 -2.024 -9.133 1.00 0.00 C ATOM 517 C SER A 34 18.941 -2.554 -8.520 1.00 0.00 C ATOM 518 O SER A 34 19.639 -1.845 -7.789 1.00 0.00 O ATOM 519 CB SER A 34 17.853 -1.611 -10.589 1.00 0.00 C ATOM 520 OG SER A 34 18.799 -0.573 -10.699 1.00 0.00 O ATOM 0 H SER A 34 17.676 -0.167 -8.158 1.00 0.00 H new ATOM 0 HA SER A 34 16.914 -2.838 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.188 -2.472 -11.167 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.905 -1.288 -11.019 1.00 0.00 H new ATOM 0 HG SER A 34 18.397 0.269 -10.399 1.00 0.00 H new ATOM 526 N CYS A 35 19.258 -3.824 -8.795 1.00 0.00 N ATOM 527 CA CYS A 35 20.381 -4.526 -8.176 1.00 0.00 C ATOM 528 C CYS A 35 20.974 -5.619 -9.086 1.00 0.00 C ATOM 529 O CYS A 35 20.281 -6.536 -9.525 1.00 0.00 O ATOM 530 CB CYS A 35 19.861 -5.101 -6.842 1.00 0.00 C ATOM 531 SG CYS A 35 21.018 -6.325 -6.158 1.00 0.00 S ATOM 0 H CYS A 35 18.736 -4.396 -9.459 1.00 0.00 H new ATOM 0 HA CYS A 35 21.207 -3.836 -8.005 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.718 -4.292 -6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.887 -5.565 -6.998 1.00 0.00 H new ATOM 0 HG CYS A 35 22.199 -5.793 -6.050 1.00 0.00 H new ATOM 537 N GLY A 36 22.276 -5.549 -9.352 1.00 0.00 N ATOM 538 CA GLY A 36 23.034 -6.621 -9.997 1.00 0.00 C ATOM 539 C GLY A 36 23.575 -7.529 -8.900 1.00 0.00 C ATOM 540 O GLY A 36 24.229 -7.043 -7.980 1.00 0.00 O ATOM 0 H GLY A 36 22.844 -4.734 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.397 -7.183 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.851 -6.209 -10.590 1.00 0.00 H new ATOM 544 N LEU A 37 23.331 -8.840 -8.978 1.00 0.00 N ATOM 545 CA LEU A 37 23.598 -9.795 -7.883 1.00 0.00 C ATOM 546 C LEU A 37 25.014 -9.697 -7.276 1.00 0.00 C ATOM 547 O LEU A 37 25.152 -9.822 -6.063 1.00 0.00 O ATOM 548 CB LEU A 37 23.285 -11.225 -8.380 1.00 0.00 C ATOM 549 CG LEU A 37 21.878 -11.736 -8.007 1.00 0.00 C ATOM 550 CD1 LEU A 37 20.721 -10.862 -8.487 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.679 -13.129 -8.601 1.00 0.00 C ATOM 0 H LEU A 37 22.938 -9.280 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 37 22.939 -9.530 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.392 -11.251 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 37 24.027 -11.910 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 37 21.850 -11.726 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.776 -11.306 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.814 -9.866 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.747 -10.789 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.686 -13.497 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.775 -13.079 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.433 -13.806 -8.200 1.00 0.00 H new ATOM 563 N GLU A 38 26.032 -9.397 -8.093 1.00 0.00 N ATOM 564 CA GLU A 38 27.430 -9.189 -7.670 1.00 0.00 C ATOM 565 C GLU A 38 27.978 -7.798 -8.085 1.00 0.00 C ATOM 566 O GLU A 38 29.163 -7.659 -8.393 1.00 0.00 O ATOM 567 CB GLU A 38 28.320 -10.348 -8.167 1.00 0.00 C ATOM 568 CG GLU A 38 27.835 -11.734 -7.720 1.00 0.00 C ATOM 569 CD GLU A 38 28.837 -12.821 -8.152 1.00 0.00 C ATOM 570 OE1 GLU A 38 28.947 -13.089 -9.374 1.00 0.00 O ATOM 571 OE2 GLU A 38 29.541 -13.394 -7.286 1.00 0.00 O ATOM 0 H GLU A 38 25.905 -9.288 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 38 27.452 -9.195 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.362 -10.321 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.337 -10.195 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.715 -11.752 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.856 -11.940 -8.153 1.00 0.00 H new ATOM 578 N SER A 39 27.119 -6.764 -8.080 1.00 0.00 N ATOM 579 CA SER A 39 27.335 -5.399 -8.626 1.00 0.00 C ATOM 580 C SER A 39 27.469 -5.311 -10.160 1.00 0.00 C ATOM 581 O SER A 39 27.687 -6.313 -10.847 1.00 0.00 O ATOM 582 CB SER A 39 28.471 -4.648 -7.910 1.00 0.00 C ATOM 583 OG SER A 39 29.745 -5.068 -8.350 1.00 0.00 O ATOM 0 H SER A 39 26.191 -6.859 -7.668 1.00 0.00 H new ATOM 0 HA SER A 39 26.400 -4.885 -8.403 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.363 -3.577 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.389 -4.807 -6.835 1.00 0.00 H new ATOM 0 HG SER A 39 29.700 -6.004 -8.635 1.00 0.00 H new ATOM 589 N SER A 40 27.286 -4.098 -10.701 1.00 0.00 N ATOM 590 CA SER A 40 27.372 -3.788 -12.141 1.00 0.00 C ATOM 591 C SER A 40 27.565 -2.272 -12.385 1.00 0.00 C ATOM 592 O SER A 40 27.911 -1.535 -11.459 1.00 0.00 O ATOM 593 CB SER A 40 26.094 -4.300 -12.812 1.00 0.00 C ATOM 594 OG SER A 40 26.235 -4.369 -14.222 1.00 0.00 O ATOM 0 H SER A 40 27.067 -3.279 -10.134 1.00 0.00 H new ATOM 0 HA SER A 40 28.243 -4.282 -12.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.848 -5.288 -12.422 1.00 0.00 H new ATOM 0 HB3 SER A 40 25.262 -3.642 -12.561 1.00 0.00 H new ATOM 0 HG SER A 40 26.724 -5.184 -14.462 1.00 0.00 H new ATOM 600 N ARG A 41 27.327 -1.789 -13.616 1.00 0.00 N ATOM 601 CA ARG A 41 27.472 -0.378 -14.047 1.00 0.00 C ATOM 602 C ARG A 41 26.270 0.135 -14.854 1.00 0.00 C ATOM 603 O ARG A 41 25.386 -0.637 -15.212 1.00 0.00 O ATOM 604 CB ARG A 41 28.782 -0.233 -14.859 1.00 0.00 C ATOM 605 CG ARG A 41 28.801 -1.084 -16.147 1.00 0.00 C ATOM 606 CD ARG A 41 29.795 -0.528 -17.172 1.00 0.00 C ATOM 607 NE ARG A 41 29.858 -1.397 -18.363 1.00 0.00 N ATOM 608 CZ ARG A 41 29.080 -1.358 -19.431 1.00 0.00 C ATOM 609 NH1 ARG A 41 28.144 -0.472 -19.588 1.00 0.00 N ATOM 610 NH2 ARG A 41 29.215 -2.222 -20.388 1.00 0.00 N ATOM 0 H ARG A 41 27.014 -2.394 -14.375 1.00 0.00 H new ATOM 0 HA ARG A 41 27.512 0.241 -13.151 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.924 0.815 -15.123 1.00 0.00 H new ATOM 0 HB3 ARG A 41 29.625 -0.520 -14.230 1.00 0.00 H new ATOM 0 HG2 ARG A 41 29.067 -2.112 -15.901 1.00 0.00 H new ATOM 0 HG3 ARG A 41 27.802 -1.108 -16.583 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.497 0.479 -17.466 1.00 0.00 H new ATOM 0 HD3 ARG A 41 30.784 -0.449 -16.721 1.00 0.00 H new ATOM 0 HE ARG A 41 30.587 -2.111 -18.362 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.984 0.234 -18.869 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.568 -0.482 -20.430 1.00 0.00 H new ATOM 0 HH21 ARG A 41 29.930 -2.946 -20.324 1.00 0.00 H new ATOM 0 HH22 ARG A 41 28.606 -2.177 -21.205 1.00 0.00 H new ATOM 624 N VAL A 42 26.249 1.434 -15.166 1.00 0.00 N ATOM 625 CA VAL A 42 25.304 2.046 -16.134 1.00 0.00 C ATOM 626 C VAL A 42 25.917 1.889 -17.545 1.00 0.00 C ATOM 627 O VAL A 42 27.088 1.527 -17.687 1.00 0.00 O ATOM 628 CB VAL A 42 24.969 3.518 -15.759 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.822 4.124 -16.585 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.532 3.645 -14.292 1.00 0.00 C ATOM 0 H VAL A 42 26.893 2.109 -14.753 1.00 0.00 H new ATOM 0 HA VAL A 42 24.341 1.536 -16.111 1.00 0.00 H new ATOM 0 HB VAL A 42 25.897 4.053 -15.960 1.00 0.00 H new ATOM 0 HG11 VAL A 42 23.647 5.151 -16.266 1.00 0.00 H new ATOM 0 HG12 VAL A 42 24.089 4.113 -17.642 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.916 3.538 -16.434 1.00 0.00 H new ATOM 0 HG21 VAL A 42 24.307 4.688 -14.068 1.00 0.00 H new ATOM 0 HG22 VAL A 42 23.643 3.037 -14.123 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.336 3.300 -13.642 1.00 0.00 H new ATOM 640 N HIS A 43 25.152 2.134 -18.613 1.00 0.00 N ATOM 641 CA HIS A 43 25.660 2.134 -19.996 1.00 0.00 C ATOM 642 C HIS A 43 25.253 3.411 -20.752 1.00 0.00 C ATOM 643 O HIS A 43 24.054 3.672 -20.834 1.00 0.00 O ATOM 644 CB HIS A 43 25.167 0.867 -20.713 1.00 0.00 C ATOM 645 CG HIS A 43 25.850 0.719 -22.043 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.229 0.595 -22.205 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.270 0.910 -23.261 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.454 0.689 -23.525 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.298 0.891 -24.179 1.00 0.00 N ATOM 0 H HIS A 43 24.155 2.340 -18.546 1.00 0.00 H new ATOM 0 HA HIS A 43 26.750 2.128 -19.974 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.366 -0.009 -20.095 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.088 0.918 -20.855 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.219 1.048 -23.466 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.424 0.613 -23.994 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.198 1.010 -25.187 1.00 0.00 H new ATOM 657 N PRO A 44 26.181 4.189 -21.356 1.00 0.00 N ATOM 658 CA PRO A 44 25.858 5.470 -22.009 1.00 0.00 C ATOM 659 C PRO A 44 24.781 5.380 -23.095 1.00 0.00 C ATOM 660 O PRO A 44 23.866 6.203 -23.132 1.00 0.00 O ATOM 661 CB PRO A 44 27.186 5.996 -22.565 1.00 0.00 C ATOM 662 CG PRO A 44 28.211 5.416 -21.597 1.00 0.00 C ATOM 663 CD PRO A 44 27.634 4.037 -21.286 1.00 0.00 C ATOM 0 HA PRO A 44 25.414 6.148 -21.280 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.359 5.658 -23.587 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.215 7.086 -22.580 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.201 5.349 -22.048 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.310 6.026 -20.699 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.985 3.295 -22.004 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.945 3.697 -20.298 1.00 0.00 H new ATOM 671 N THR A 45 24.798 4.327 -23.921 1.00 0.00 N ATOM 672 CA THR A 45 23.776 4.115 -24.969 1.00 0.00 C ATOM 673 C THR A 45 22.385 3.887 -24.371 1.00 0.00 C ATOM 674 O THR A 45 21.398 4.337 -24.941 1.00 0.00 O ATOM 675 CB THR A 45 24.167 2.949 -25.897 1.00 0.00 C ATOM 676 OG1 THR A 45 25.559 2.936 -26.136 1.00 0.00 O ATOM 677 CG2 THR A 45 23.473 2.997 -27.251 1.00 0.00 C ATOM 0 H THR A 45 25.512 3.599 -23.888 1.00 0.00 H new ATOM 0 HA THR A 45 23.733 5.028 -25.564 1.00 0.00 H new ATOM 0 HB THR A 45 23.849 2.049 -25.370 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.783 2.186 -26.726 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.793 2.148 -27.854 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.393 2.954 -27.108 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.735 3.924 -27.761 1.00 0.00 H new ATOM 685 N ALA A 46 22.285 3.303 -23.168 1.00 0.00 N ATOM 686 CA ALA A 46 21.018 3.144 -22.442 1.00 0.00 C ATOM 687 C ALA A 46 20.540 4.428 -21.738 1.00 0.00 C ATOM 688 O ALA A 46 19.446 4.450 -21.182 1.00 0.00 O ATOM 689 CB ALA A 46 21.118 1.950 -21.486 1.00 0.00 C ATOM 0 H ALA A 46 23.089 2.925 -22.668 1.00 0.00 H new ATOM 0 HA ALA A 46 20.242 2.939 -23.179 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.177 1.834 -20.949 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.324 1.044 -22.056 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.924 2.121 -20.773 1.00 0.00 H new ATOM 695 N ILE A 47 21.341 5.494 -21.753 1.00 0.00 N ATOM 696 CA ILE A 47 20.887 6.826 -21.342 1.00 0.00 C ATOM 697 C ILE A 47 20.258 7.454 -22.596 1.00 0.00 C ATOM 698 O ILE A 47 19.060 7.733 -22.631 1.00 0.00 O ATOM 699 CB ILE A 47 22.035 7.671 -20.738 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.778 6.916 -19.608 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.455 8.994 -20.207 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.045 7.625 -19.116 1.00 0.00 C ATOM 0 H ILE A 47 22.317 5.461 -22.048 1.00 0.00 H new ATOM 0 HA ILE A 47 20.155 6.774 -20.536 1.00 0.00 H new ATOM 0 HB ILE A 47 22.766 7.870 -21.522 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.099 6.782 -18.766 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.045 5.921 -19.964 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.256 9.597 -19.779 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.987 9.541 -21.026 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.710 8.783 -19.439 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.508 7.035 -18.325 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.745 7.736 -19.944 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.784 8.610 -18.728 1.00 0.00 H new ATOM 714 N ALA A 48 21.023 7.551 -23.688 1.00 0.00 N ATOM 715 CA ALA A 48 20.616 8.301 -24.881 1.00 0.00 C ATOM 716 C ALA A 48 19.459 7.648 -25.664 1.00 0.00 C ATOM 717 O ALA A 48 18.569 8.349 -26.144 1.00 0.00 O ATOM 718 CB ALA A 48 21.855 8.491 -25.764 1.00 0.00 C ATOM 0 H ALA A 48 21.940 7.113 -23.770 1.00 0.00 H new ATOM 0 HA ALA A 48 20.218 9.264 -24.560 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.581 9.047 -26.661 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.614 9.045 -25.211 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.252 7.517 -26.049 1.00 0.00 H new ATOM 724 N MET A 49 19.413 6.310 -25.735 1.00 0.00 N ATOM 725 CA MET A 49 18.308 5.566 -26.373 1.00 0.00 C ATOM 726 C MET A 49 17.000 5.606 -25.570 1.00 0.00 C ATOM 727 O MET A 49 15.970 5.161 -26.073 1.00 0.00 O ATOM 728 CB MET A 49 18.729 4.110 -26.642 1.00 0.00 C ATOM 729 CG MET A 49 19.849 3.979 -27.682 1.00 0.00 C ATOM 730 SD MET A 49 19.372 4.432 -29.372 1.00 0.00 S ATOM 731 CE MET A 49 20.138 6.069 -29.500 1.00 0.00 C ATOM 0 H MET A 49 20.142 5.708 -25.352 1.00 0.00 H new ATOM 0 HA MET A 49 18.103 6.070 -27.318 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.058 3.656 -25.707 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.860 3.546 -26.982 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.686 4.606 -27.375 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.206 2.949 -27.684 1.00 0.00 H new ATOM 0 HE1 MET A 49 19.676 6.624 -30.317 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.995 6.612 -28.566 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.205 5.957 -29.695 1.00 0.00 H new ATOM 741 N MET A 50 17.023 6.114 -24.334 1.00 0.00 N ATOM 742 CA MET A 50 15.883 6.081 -23.408 1.00 0.00 C ATOM 743 C MET A 50 15.417 7.490 -23.004 1.00 0.00 C ATOM 744 O MET A 50 14.226 7.697 -22.791 1.00 0.00 O ATOM 745 CB MET A 50 16.211 5.181 -22.206 1.00 0.00 C ATOM 746 CG MET A 50 16.893 3.862 -22.589 1.00 0.00 C ATOM 747 SD MET A 50 16.028 2.828 -23.792 1.00 0.00 S ATOM 748 CE MET A 50 17.309 1.565 -24.047 1.00 0.00 C ATOM 0 H MET A 50 17.848 6.568 -23.941 1.00 0.00 H new ATOM 0 HA MET A 50 15.029 5.642 -23.924 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.858 5.728 -21.520 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.290 4.960 -21.667 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.882 4.092 -22.985 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.041 3.278 -21.681 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.877 0.708 -24.563 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.116 1.982 -24.649 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.703 1.247 -23.082 1.00 0.00 H new ATOM 758 N GLU A 51 16.299 8.494 -23.001 1.00 0.00 N ATOM 759 CA GLU A 51 15.925 9.912 -22.850 1.00 0.00 C ATOM 760 C GLU A 51 14.937 10.364 -23.947 1.00 0.00 C ATOM 761 O GLU A 51 14.063 11.195 -23.700 1.00 0.00 O ATOM 762 CB GLU A 51 17.174 10.806 -22.929 1.00 0.00 C ATOM 763 CG GLU A 51 17.996 10.841 -21.634 1.00 0.00 C ATOM 764 CD GLU A 51 19.172 11.831 -21.770 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.087 11.597 -22.599 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.183 12.864 -21.054 1.00 0.00 O ATOM 0 H GLU A 51 17.303 8.349 -23.104 1.00 0.00 H new ATOM 0 HA GLU A 51 15.445 10.011 -21.876 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.810 10.455 -23.742 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.867 11.821 -23.180 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.359 11.135 -20.800 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.376 9.844 -21.410 1.00 0.00 H new ATOM 773 N GLU A 52 15.019 9.763 -25.143 1.00 0.00 N ATOM 774 CA GLU A 52 14.107 10.015 -26.278 1.00 0.00 C ATOM 775 C GLU A 52 12.672 9.481 -26.060 1.00 0.00 C ATOM 776 O GLU A 52 11.760 9.830 -26.813 1.00 0.00 O ATOM 777 CB GLU A 52 14.724 9.503 -27.594 1.00 0.00 C ATOM 778 CG GLU A 52 15.079 8.010 -27.592 1.00 0.00 C ATOM 779 CD GLU A 52 15.616 7.529 -28.955 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.591 8.100 -29.495 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.077 6.538 -29.503 1.00 0.00 O ATOM 0 H GLU A 52 15.737 9.071 -25.357 1.00 0.00 H new ATOM 0 HA GLU A 52 13.993 11.097 -26.348 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.025 9.696 -28.408 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.626 10.078 -27.805 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.827 7.819 -26.822 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.195 7.430 -27.328 1.00 0.00 H new ATOM 788 N VAL A 53 12.460 8.678 -25.008 1.00 0.00 N ATOM 789 CA VAL A 53 11.143 8.245 -24.500 1.00 0.00 C ATOM 790 C VAL A 53 10.959 8.663 -23.020 1.00 0.00 C ATOM 791 O VAL A 53 10.169 8.093 -22.266 1.00 0.00 O ATOM 792 CB VAL A 53 10.875 6.768 -24.872 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.773 5.761 -24.146 1.00 0.00 C ATOM 794 CG2 VAL A 53 9.411 6.343 -24.713 1.00 0.00 C ATOM 0 H VAL A 53 13.232 8.294 -24.462 1.00 0.00 H new ATOM 0 HA VAL A 53 10.333 8.774 -25.001 1.00 0.00 H new ATOM 0 HB VAL A 53 11.129 6.741 -25.932 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.518 4.750 -24.465 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.817 5.965 -24.386 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.624 5.850 -23.070 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.304 5.295 -24.993 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.105 6.475 -23.675 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.782 6.957 -25.358 1.00 0.00 H new ATOM 804 N GLY A 54 11.686 9.713 -22.605 1.00 0.00 N ATOM 805 CA GLY A 54 11.535 10.422 -21.329 1.00 0.00 C ATOM 806 C GLY A 54 12.168 9.762 -20.096 1.00 0.00 C ATOM 807 O GLY A 54 11.872 10.179 -18.975 1.00 0.00 O ATOM 0 H GLY A 54 12.430 10.108 -23.180 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.964 11.418 -21.440 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.470 10.553 -21.136 1.00 0.00 H new ATOM 811 N ILE A 55 13.020 8.746 -20.275 1.00 0.00 N ATOM 812 CA ILE A 55 13.634 7.989 -19.171 1.00 0.00 C ATOM 813 C ILE A 55 14.907 8.677 -18.646 1.00 0.00 C ATOM 814 O ILE A 55 15.666 9.289 -19.397 1.00 0.00 O ATOM 815 CB ILE A 55 13.907 6.526 -19.582 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.721 5.846 -20.299 1.00 0.00 C ATOM 817 CG2 ILE A 55 14.343 5.663 -18.385 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.414 5.780 -19.498 1.00 0.00 C ATOM 0 H ILE A 55 13.307 8.421 -21.198 1.00 0.00 H new ATOM 0 HA ILE A 55 12.919 7.973 -18.349 1.00 0.00 H new ATOM 0 HB ILE A 55 14.725 6.593 -20.299 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.529 6.378 -21.231 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.014 4.831 -20.566 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.524 4.642 -18.720 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.258 6.072 -17.956 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.556 5.663 -17.631 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.647 5.284 -20.093 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.579 5.219 -18.578 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.086 6.790 -19.253 1.00 0.00 H new ATOM 830 N ASP A 56 15.160 8.520 -17.347 1.00 0.00 N ATOM 831 CA ASP A 56 16.321 9.052 -16.618 1.00 0.00 C ATOM 832 C ASP A 56 16.969 7.954 -15.757 1.00 0.00 C ATOM 833 O ASP A 56 16.389 7.561 -14.744 1.00 0.00 O ATOM 834 CB ASP A 56 15.838 10.231 -15.755 1.00 0.00 C ATOM 835 CG ASP A 56 16.917 10.696 -14.761 1.00 0.00 C ATOM 836 OD1 ASP A 56 17.969 11.203 -15.215 1.00 0.00 O ATOM 837 OD2 ASP A 56 16.717 10.540 -13.532 1.00 0.00 O ATOM 0 H ASP A 56 14.532 7.993 -16.740 1.00 0.00 H new ATOM 0 HA ASP A 56 17.083 9.398 -17.316 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.557 11.063 -16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.943 9.937 -15.207 1.00 0.00 H new ATOM 842 N ILE A 57 18.155 7.447 -16.135 1.00 0.00 N ATOM 843 CA ILE A 57 18.904 6.435 -15.358 1.00 0.00 C ATOM 844 C ILE A 57 20.429 6.663 -15.325 1.00 0.00 C ATOM 845 O ILE A 57 21.174 5.769 -14.926 1.00 0.00 O ATOM 846 CB ILE A 57 18.553 4.981 -15.776 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.877 4.647 -17.252 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.093 4.633 -15.451 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.200 3.154 -17.412 1.00 0.00 C ATOM 0 H ILE A 57 18.627 7.728 -16.994 1.00 0.00 H new ATOM 0 HA ILE A 57 18.563 6.574 -14.332 1.00 0.00 H new ATOM 0 HB ILE A 57 19.209 4.352 -15.174 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.029 4.911 -17.884 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.724 5.246 -17.588 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.886 3.608 -15.758 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.926 4.731 -14.378 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.429 5.313 -15.985 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.425 2.940 -18.457 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.063 2.900 -16.796 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.342 2.560 -17.097 1.00 0.00 H new ATOM 861 N SER A 58 20.924 7.848 -15.700 1.00 0.00 N ATOM 862 CA SER A 58 22.370 8.149 -15.762 1.00 0.00 C ATOM 863 C SER A 58 23.094 8.002 -14.412 1.00 0.00 C ATOM 864 O SER A 58 24.283 7.687 -14.376 1.00 0.00 O ATOM 865 CB SER A 58 22.564 9.576 -16.294 1.00 0.00 C ATOM 866 OG SER A 58 21.887 10.508 -15.463 1.00 0.00 O ATOM 0 H SER A 58 20.334 8.634 -15.972 1.00 0.00 H new ATOM 0 HA SER A 58 22.815 7.413 -16.431 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.627 9.816 -16.331 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.186 9.646 -17.314 1.00 0.00 H new ATOM 0 HG SER A 58 22.020 11.414 -15.812 1.00 0.00 H new ATOM 872 N GLY A 59 22.365 8.195 -13.305 1.00 0.00 N ATOM 873 CA GLY A 59 22.885 8.154 -11.932 1.00 0.00 C ATOM 874 C GLY A 59 22.500 6.923 -11.099 1.00 0.00 C ATOM 875 O GLY A 59 22.735 6.941 -9.890 1.00 0.00 O ATOM 0 H GLY A 59 21.365 8.390 -13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.973 8.212 -11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.539 9.045 -11.408 1.00 0.00 H new ATOM 879 N GLN A 60 21.888 5.874 -11.681 1.00 0.00 N ATOM 880 CA GLN A 60 21.313 4.782 -10.860 1.00 0.00 C ATOM 881 C GLN A 60 22.355 3.973 -10.067 1.00 0.00 C ATOM 882 O GLN A 60 22.202 3.817 -8.853 1.00 0.00 O ATOM 883 CB GLN A 60 20.468 3.815 -11.707 1.00 0.00 C ATOM 884 CG GLN A 60 19.226 4.454 -12.342 1.00 0.00 C ATOM 885 CD GLN A 60 18.285 5.139 -11.360 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.984 6.322 -11.450 1.00 0.00 O ATOM 887 NE2 GLN A 60 17.762 4.414 -10.408 1.00 0.00 N ATOM 0 H GLN A 60 21.778 5.756 -12.688 1.00 0.00 H new ATOM 0 HA GLN A 60 20.680 5.295 -10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.094 3.401 -12.498 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.153 2.981 -11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.550 5.185 -13.083 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.671 3.683 -12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.007 3.427 -10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.109 4.834 -9.747 1.00 0.00 H new ATOM 896 N THR A 61 23.418 3.496 -10.732 1.00 0.00 N ATOM 897 CA THR A 61 24.419 2.526 -10.211 1.00 0.00 C ATOM 898 C THR A 61 23.821 1.168 -9.763 1.00 0.00 C ATOM 899 O THR A 61 22.603 1.002 -9.665 1.00 0.00 O ATOM 900 CB THR A 61 25.346 3.137 -9.134 1.00 0.00 C ATOM 901 OG1 THR A 61 24.670 3.337 -7.914 1.00 0.00 O ATOM 902 CG2 THR A 61 25.963 4.470 -9.563 1.00 0.00 C ATOM 0 H THR A 61 23.621 3.782 -11.690 1.00 0.00 H new ATOM 0 HA THR A 61 25.043 2.294 -11.074 1.00 0.00 H new ATOM 0 HB THR A 61 26.145 2.407 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.704 3.260 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 61 26.603 4.848 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 61 26.556 4.323 -10.465 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.170 5.190 -9.764 1.00 0.00 H new ATOM 910 N SER A 62 24.677 0.161 -9.532 1.00 0.00 N ATOM 911 CA SER A 62 24.261 -1.210 -9.182 1.00 0.00 C ATOM 912 C SER A 62 25.230 -1.875 -8.188 1.00 0.00 C ATOM 913 O SER A 62 26.442 -1.874 -8.401 1.00 0.00 O ATOM 914 CB SER A 62 24.142 -2.028 -10.467 1.00 0.00 C ATOM 915 OG SER A 62 23.872 -3.375 -10.151 1.00 0.00 O ATOM 0 H SER A 62 25.689 0.275 -9.583 1.00 0.00 H new ATOM 0 HA SER A 62 23.294 -1.166 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.346 -1.625 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.066 -1.957 -11.041 1.00 0.00 H new ATOM 0 HG SER A 62 23.566 -3.845 -10.955 1.00 0.00 H new ATOM 921 N ASP A 63 24.696 -2.468 -7.112 1.00 0.00 N ATOM 922 CA ASP A 63 25.444 -3.028 -5.969 1.00 0.00 C ATOM 923 C ASP A 63 24.958 -4.446 -5.588 1.00 0.00 C ATOM 924 O ASP A 63 23.823 -4.797 -5.925 1.00 0.00 O ATOM 925 CB ASP A 63 25.336 -2.072 -4.771 1.00 0.00 C ATOM 926 CG ASP A 63 26.204 -0.819 -4.970 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.448 -0.922 -4.833 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.648 0.275 -5.233 1.00 0.00 O ATOM 0 H ASP A 63 23.687 -2.577 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 63 26.489 -3.127 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.296 -1.777 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 63 25.645 -2.589 -3.862 1.00 0.00 H new ATOM 933 N PRO A 64 25.773 -5.271 -4.887 1.00 0.00 N ATOM 934 CA PRO A 64 25.482 -6.694 -4.655 1.00 0.00 C ATOM 935 C PRO A 64 24.228 -6.931 -3.814 1.00 0.00 C ATOM 936 O PRO A 64 23.963 -6.192 -2.865 1.00 0.00 O ATOM 937 CB PRO A 64 26.721 -7.284 -3.963 1.00 0.00 C ATOM 938 CG PRO A 64 27.835 -6.295 -4.301 1.00 0.00 C ATOM 939 CD PRO A 64 27.089 -4.962 -4.337 1.00 0.00 C ATOM 0 HA PRO A 64 25.274 -7.179 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.575 -7.369 -2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.948 -8.284 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.624 -6.299 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.305 -6.524 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.007 -4.530 -3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.613 -4.235 -4.957 1.00 0.00 H new ATOM 947 N ILE A 65 23.477 -8.000 -4.096 1.00 0.00 N ATOM 948 CA ILE A 65 22.146 -8.192 -3.492 1.00 0.00 C ATOM 949 C ILE A 65 22.182 -8.380 -1.968 1.00 0.00 C ATOM 950 O ILE A 65 21.317 -7.862 -1.266 1.00 0.00 O ATOM 951 CB ILE A 65 21.377 -9.309 -4.227 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.875 -9.202 -3.891 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.953 -10.714 -3.946 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.006 -10.172 -4.691 1.00 0.00 C ATOM 0 H ILE A 65 23.761 -8.744 -4.734 1.00 0.00 H new ATOM 0 HA ILE A 65 21.592 -7.264 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 65 21.502 -9.167 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.733 -9.391 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.539 -8.183 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.373 -11.460 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 65 22.992 -10.753 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.901 -10.921 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.962 -10.045 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.119 -9.968 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.317 -11.196 -4.482 1.00 0.00 H new ATOM 966 N GLU A 66 23.223 -9.026 -1.432 1.00 0.00 N ATOM 967 CA GLU A 66 23.362 -9.271 0.013 1.00 0.00 C ATOM 968 C GLU A 66 23.733 -8.002 0.815 1.00 0.00 C ATOM 969 O GLU A 66 23.716 -8.032 2.048 1.00 0.00 O ATOM 970 CB GLU A 66 24.352 -10.420 0.276 1.00 0.00 C ATOM 971 CG GLU A 66 23.921 -11.741 -0.373 1.00 0.00 C ATOM 972 CD GLU A 66 24.883 -12.879 0.022 1.00 0.00 C ATOM 973 OE1 GLU A 66 25.891 -13.102 -0.694 1.00 0.00 O ATOM 974 OE2 GLU A 66 24.640 -13.560 1.049 1.00 0.00 O ATOM 0 H GLU A 66 23.996 -9.395 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 66 22.379 -9.571 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.335 -10.139 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.454 -10.566 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.906 -11.991 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.905 -11.631 -1.457 1.00 0.00 H new ATOM 981 N ASN A 67 24.029 -6.873 0.148 1.00 0.00 N ATOM 982 CA ASN A 67 24.178 -5.569 0.810 1.00 0.00 C ATOM 983 C ASN A 67 22.810 -4.939 1.173 1.00 0.00 C ATOM 984 O ASN A 67 22.745 -4.083 2.058 1.00 0.00 O ATOM 985 CB ASN A 67 25.088 -4.641 -0.032 1.00 0.00 C ATOM 986 CG ASN A 67 24.362 -3.449 -0.648 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.374 -2.342 -0.128 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.684 -3.647 -1.750 1.00 0.00 N ATOM 0 H ASN A 67 24.171 -6.840 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 67 24.678 -5.719 1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.897 -4.273 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.546 -5.226 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.166 -2.878 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.674 -4.570 -2.184 1.00 0.00 H new ATOM 995 N PHE A 68 21.725 -5.373 0.519 1.00 0.00 N ATOM 996 CA PHE A 68 20.350 -4.925 0.771 1.00 0.00 C ATOM 997 C PHE A 68 19.597 -5.863 1.743 1.00 0.00 C ATOM 998 O PHE A 68 20.057 -6.960 2.069 1.00 0.00 O ATOM 999 CB PHE A 68 19.606 -4.785 -0.572 1.00 0.00 C ATOM 1000 CG PHE A 68 20.252 -3.868 -1.593 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.392 -2.491 -1.332 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.696 -4.388 -2.822 1.00 0.00 C ATOM 1003 CE1 PHE A 68 20.981 -1.645 -2.289 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.287 -3.542 -3.777 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.428 -2.171 -3.513 1.00 0.00 C ATOM 0 H PHE A 68 21.782 -6.069 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 68 20.389 -3.953 1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.505 -5.776 -1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.598 -4.421 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.046 -2.083 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.583 -5.441 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.090 -0.590 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.633 -3.948 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.879 -1.522 -4.249 1.00 0.00 H new ATOM 1015 N ASN A 69 18.411 -5.430 2.191 1.00 0.00 N ATOM 1016 CA ASN A 69 17.495 -6.174 3.071 1.00 0.00 C ATOM 1017 C ASN A 69 16.144 -6.407 2.371 1.00 0.00 C ATOM 1018 O ASN A 69 15.379 -5.463 2.173 1.00 0.00 O ATOM 1019 CB ASN A 69 17.358 -5.423 4.419 1.00 0.00 C ATOM 1020 CG ASN A 69 17.341 -3.895 4.333 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.111 -3.208 4.988 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.487 -3.311 3.521 1.00 0.00 N ATOM 0 H ASN A 69 18.046 -4.511 1.940 1.00 0.00 H new ATOM 0 HA ASN A 69 17.900 -7.163 3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.438 -5.751 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.183 -5.722 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.472 -2.294 3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.840 -3.875 2.970 1.00 0.00 H new ATOM 1029 N ALA A 70 15.813 -7.650 2.026 1.00 0.00 N ATOM 1030 CA ALA A 70 14.672 -7.979 1.164 1.00 0.00 C ATOM 1031 C ALA A 70 13.288 -7.650 1.748 1.00 0.00 C ATOM 1032 O ALA A 70 12.330 -7.461 1.002 1.00 0.00 O ATOM 1033 CB ALA A 70 14.749 -9.460 0.845 1.00 0.00 C ATOM 0 H ALA A 70 16.334 -8.469 2.339 1.00 0.00 H new ATOM 0 HA ALA A 70 14.756 -7.349 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.913 -9.738 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.686 -9.673 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.703 -10.034 1.770 1.00 0.00 H new ATOM 1039 N ASP A 71 13.180 -7.559 3.075 1.00 0.00 N ATOM 1040 CA ASP A 71 11.912 -7.313 3.781 1.00 0.00 C ATOM 1041 C ASP A 71 11.307 -5.932 3.457 1.00 0.00 C ATOM 1042 O ASP A 71 10.095 -5.721 3.536 1.00 0.00 O ATOM 1043 CB ASP A 71 12.195 -7.385 5.285 1.00 0.00 C ATOM 1044 CG ASP A 71 10.901 -7.342 6.117 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.084 -8.288 6.016 1.00 0.00 O ATOM 1046 OD2 ASP A 71 10.714 -6.383 6.906 1.00 0.00 O ATOM 0 H ASP A 71 13.979 -7.655 3.702 1.00 0.00 H new ATOM 0 HA ASP A 71 11.191 -8.064 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.739 -8.303 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.839 -6.554 5.573 1.00 0.00 H new ATOM 1051 N ASP A 72 12.175 -5.000 3.065 1.00 0.00 N ATOM 1052 CA ASP A 72 11.858 -3.618 2.715 1.00 0.00 C ATOM 1053 C ASP A 72 11.506 -3.468 1.221 1.00 0.00 C ATOM 1054 O ASP A 72 11.128 -2.383 0.783 1.00 0.00 O ATOM 1055 CB ASP A 72 13.065 -2.773 3.131 1.00 0.00 C ATOM 1056 CG ASP A 72 12.785 -1.263 3.083 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.858 -0.785 3.781 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.523 -0.534 2.377 1.00 0.00 O ATOM 0 H ASP A 72 13.171 -5.201 2.979 1.00 0.00 H new ATOM 0 HA ASP A 72 10.966 -3.277 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.364 -3.050 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.905 -3.002 2.476 1.00 0.00 H new ATOM 1063 N TYR A 73 11.591 -4.568 0.460 1.00 0.00 N ATOM 1064 CA TYR A 73 11.170 -4.712 -0.929 1.00 0.00 C ATOM 1065 C TYR A 73 10.017 -5.713 -0.972 1.00 0.00 C ATOM 1066 O TYR A 73 10.207 -6.909 -1.190 1.00 0.00 O ATOM 1067 CB TYR A 73 12.349 -5.135 -1.817 1.00 0.00 C ATOM 1068 CG TYR A 73 13.539 -4.210 -1.696 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.668 -3.087 -2.530 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.486 -4.445 -0.691 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.745 -2.200 -2.349 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.557 -3.558 -0.493 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.690 -2.423 -1.321 1.00 0.00 C ATOM 1074 OH TYR A 73 16.723 -1.559 -1.125 1.00 0.00 O ATOM 0 H TYR A 73 11.982 -5.435 0.829 1.00 0.00 H new ATOM 0 HA TYR A 73 10.824 -3.758 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.653 -6.147 -1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.022 -5.164 -2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.942 -2.905 -3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.392 -5.318 -0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.851 -1.344 -2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.277 -3.744 0.291 1.00 0.00 H new ATOM 0 HH TYR A 73 17.272 -1.870 -0.375 1.00 0.00 H new ATOM 1084 N ASP A 74 8.808 -5.209 -0.733 1.00 0.00 N ATOM 1085 CA ASP A 74 7.537 -5.952 -0.767 1.00 0.00 C ATOM 1086 C ASP A 74 7.356 -6.760 -2.062 1.00 0.00 C ATOM 1087 O ASP A 74 6.672 -7.782 -2.075 1.00 0.00 O ATOM 1088 CB ASP A 74 6.368 -4.957 -0.669 1.00 0.00 C ATOM 1089 CG ASP A 74 6.594 -3.869 0.390 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.323 -2.900 0.067 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.044 -3.979 1.511 1.00 0.00 O ATOM 0 H ASP A 74 8.675 -4.225 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 74 7.553 -6.647 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.217 -4.485 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.453 -5.501 -0.433 1.00 0.00 H new ATOM 1096 N VAL A 75 7.967 -6.291 -3.152 1.00 0.00 N ATOM 1097 CA VAL A 75 7.886 -6.866 -4.491 1.00 0.00 C ATOM 1098 C VAL A 75 9.303 -6.995 -5.066 1.00 0.00 C ATOM 1099 O VAL A 75 10.084 -6.045 -5.035 1.00 0.00 O ATOM 1100 CB VAL A 75 6.944 -5.985 -5.338 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.949 -6.408 -6.812 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.501 -6.080 -4.820 1.00 0.00 C ATOM 0 H VAL A 75 8.559 -5.461 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 75 7.465 -7.872 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 75 7.311 -4.962 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.274 -5.765 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.958 -6.317 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.618 -7.443 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.853 -5.451 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.161 -7.114 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.463 -5.742 -3.784 1.00 0.00 H new ATOM 1112 N VAL A 76 9.658 -8.168 -5.597 1.00 0.00 N ATOM 1113 CA VAL A 76 10.991 -8.435 -6.173 1.00 0.00 C ATOM 1114 C VAL A 76 10.822 -9.086 -7.540 1.00 0.00 C ATOM 1115 O VAL A 76 10.131 -10.090 -7.663 1.00 0.00 O ATOM 1116 CB VAL A 76 11.843 -9.318 -5.240 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.150 -9.762 -5.916 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.228 -8.591 -3.944 1.00 0.00 C ATOM 0 H VAL A 76 9.028 -8.969 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 76 11.523 -7.490 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 76 11.218 -10.181 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.723 -10.382 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.919 -10.335 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.736 -8.884 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.827 -9.253 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.806 -7.699 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.325 -8.304 -3.406 1.00 0.00 H new ATOM 1128 N ILE A 77 11.458 -8.523 -8.565 1.00 0.00 N ATOM 1129 CA ILE A 77 11.322 -8.949 -9.960 1.00 0.00 C ATOM 1130 C ILE A 77 12.710 -9.229 -10.529 1.00 0.00 C ATOM 1131 O ILE A 77 13.582 -8.367 -10.482 1.00 0.00 O ATOM 1132 CB ILE A 77 10.575 -7.873 -10.778 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.243 -7.404 -10.139 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.340 -8.368 -12.216 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.165 -8.481 -10.001 1.00 0.00 C ATOM 0 H ILE A 77 12.099 -7.738 -8.448 1.00 0.00 H new ATOM 0 HA ILE A 77 10.732 -9.864 -10.017 1.00 0.00 H new ATOM 0 HB ILE A 77 11.222 -6.996 -10.787 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.457 -7.000 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.841 -6.586 -10.737 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.813 -7.601 -12.783 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.299 -8.575 -12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.742 -9.279 -12.194 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.275 -8.049 -9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.913 -8.872 -10.987 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.538 -9.291 -9.375 1.00 0.00 H new ATOM 1147 N SER A 78 12.927 -10.425 -11.061 1.00 0.00 N ATOM 1148 CA SER A 78 14.202 -10.843 -11.652 1.00 0.00 C ATOM 1149 C SER A 78 14.179 -10.731 -13.181 1.00 0.00 C ATOM 1150 O SER A 78 13.114 -10.728 -13.793 1.00 0.00 O ATOM 1151 CB SER A 78 14.540 -12.244 -11.142 1.00 0.00 C ATOM 1152 OG SER A 78 15.710 -12.735 -11.753 1.00 0.00 O ATOM 0 H SER A 78 12.210 -11.150 -11.097 1.00 0.00 H new ATOM 0 HA SER A 78 15.001 -10.171 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.673 -12.219 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.709 -12.919 -11.345 1.00 0.00 H new ATOM 0 HG SER A 78 15.494 -13.077 -12.646 1.00 0.00 H new ATOM 1158 N LEU A 79 15.354 -10.605 -13.804 1.00 0.00 N ATOM 1159 CA LEU A 79 15.543 -10.561 -15.261 1.00 0.00 C ATOM 1160 C LEU A 79 16.673 -11.514 -15.699 1.00 0.00 C ATOM 1161 O LEU A 79 17.629 -11.101 -16.356 1.00 0.00 O ATOM 1162 CB LEU A 79 15.751 -9.107 -15.740 1.00 0.00 C ATOM 1163 CG LEU A 79 14.597 -8.134 -15.409 1.00 0.00 C ATOM 1164 CD1 LEU A 79 14.851 -7.352 -14.118 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.422 -7.101 -16.524 1.00 0.00 C ATOM 0 H LEU A 79 16.233 -10.528 -13.292 1.00 0.00 H new ATOM 0 HA LEU A 79 14.637 -10.920 -15.748 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.668 -8.722 -15.294 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.900 -9.115 -16.820 1.00 0.00 H new ATOM 0 HG LEU A 79 13.707 -8.754 -15.298 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.013 -6.682 -13.928 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.955 -8.048 -13.286 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.766 -6.769 -14.220 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.604 -6.426 -16.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.343 -6.529 -16.638 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.194 -7.611 -17.460 1.00 0.00 H new ATOM 1177 N CYS A 80 16.595 -12.783 -15.294 1.00 0.00 N ATOM 1178 CA CYS A 80 17.659 -13.789 -15.442 1.00 0.00 C ATOM 1179 C CYS A 80 17.295 -14.988 -16.347 1.00 0.00 C ATOM 1180 O CYS A 80 18.143 -15.854 -16.577 1.00 0.00 O ATOM 1181 CB CYS A 80 18.076 -14.261 -14.046 1.00 0.00 C ATOM 1182 SG CYS A 80 18.674 -12.873 -13.034 1.00 0.00 S ATOM 0 H CYS A 80 15.762 -13.156 -14.838 1.00 0.00 H new ATOM 0 HA CYS A 80 18.488 -13.305 -15.958 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.229 -14.736 -13.552 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.858 -15.015 -14.133 1.00 0.00 H new ATOM 0 HG CYS A 80 17.716 -12.456 -12.260 1.00 0.00 H new ATOM 1188 N GLY A 81 16.076 -15.040 -16.900 1.00 0.00 N ATOM 1189 CA GLY A 81 15.674 -16.056 -17.888 1.00 0.00 C ATOM 1190 C GLY A 81 15.166 -17.376 -17.297 1.00 0.00 C ATOM 1191 O GLY A 81 15.593 -18.452 -17.722 1.00 0.00 O ATOM 0 H GLY A 81 15.335 -14.376 -16.675 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.893 -15.635 -18.521 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.526 -16.269 -18.533 1.00 0.00 H new ATOM 1195 N CYS A 82 14.240 -17.296 -16.335 1.00 0.00 N ATOM 1196 CA CYS A 82 13.656 -18.427 -15.603 1.00 0.00 C ATOM 1197 C CYS A 82 14.717 -19.272 -14.863 1.00 0.00 C ATOM 1198 O CYS A 82 14.811 -20.496 -15.013 1.00 0.00 O ATOM 1199 CB CYS A 82 12.688 -19.199 -16.517 1.00 0.00 C ATOM 1200 SG CYS A 82 11.521 -20.156 -15.504 1.00 0.00 S ATOM 0 H CYS A 82 13.859 -16.400 -16.031 1.00 0.00 H new ATOM 0 HA CYS A 82 13.046 -18.054 -14.781 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.144 -18.504 -17.157 1.00 0.00 H new ATOM 0 HB3 CYS A 82 13.247 -19.866 -17.174 1.00 0.00 H new ATOM 0 HG CYS A 82 10.704 -20.805 -16.280 1.00 0.00 H new ATOM 1206 N GLY A 83 15.544 -18.587 -14.070 1.00 0.00 N ATOM 1207 CA GLY A 83 16.586 -19.178 -13.227 1.00 0.00 C ATOM 1208 C GLY A 83 17.516 -18.115 -12.630 1.00 0.00 C ATOM 1209 O GLY A 83 18.299 -17.492 -13.351 1.00 0.00 O ATOM 0 H GLY A 83 15.505 -17.571 -13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 83 16.121 -19.746 -12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.173 -19.883 -13.817 1.00 0.00 H new ATOM 1213 N VAL A 84 17.441 -17.916 -11.308 1.00 0.00 N ATOM 1214 CA VAL A 84 18.255 -16.942 -10.556 1.00 0.00 C ATOM 1215 C VAL A 84 18.643 -17.490 -9.176 1.00 0.00 C ATOM 1216 O VAL A 84 17.833 -18.134 -8.507 1.00 0.00 O ATOM 1217 CB VAL A 84 17.523 -15.579 -10.476 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.200 -15.614 -9.703 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.419 -14.477 -9.903 1.00 0.00 C ATOM 0 H VAL A 84 16.798 -18.439 -10.713 1.00 0.00 H new ATOM 0 HA VAL A 84 19.190 -16.775 -11.091 1.00 0.00 H new ATOM 0 HB VAL A 84 17.279 -15.349 -11.513 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.756 -14.619 -9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.516 -16.314 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.386 -15.935 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.864 -13.540 -9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.735 -14.752 -8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.296 -14.354 -10.538 1.00 0.00 H new ATOM 1229 N ASN A 85 19.883 -17.237 -8.736 1.00 0.00 N ATOM 1230 CA ASN A 85 20.377 -17.636 -7.414 1.00 0.00 C ATOM 1231 C ASN A 85 20.064 -16.533 -6.383 1.00 0.00 C ATOM 1232 O ASN A 85 20.572 -15.418 -6.504 1.00 0.00 O ATOM 1233 CB ASN A 85 21.885 -17.944 -7.527 1.00 0.00 C ATOM 1234 CG ASN A 85 22.500 -18.471 -6.234 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.830 -18.742 -5.248 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.802 -18.642 -6.204 1.00 0.00 N ATOM 0 H ASN A 85 20.578 -16.744 -9.296 1.00 0.00 H new ATOM 0 HA ASN A 85 19.876 -18.538 -7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.039 -18.678 -8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.411 -17.037 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.250 -19.000 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.365 -18.417 -7.024 1.00 0.00 H new ATOM 1243 N LEU A 86 19.219 -16.828 -5.390 1.00 0.00 N ATOM 1244 CA LEU A 86 18.726 -15.851 -4.410 1.00 0.00 C ATOM 1245 C LEU A 86 18.657 -16.419 -2.979 1.00 0.00 C ATOM 1246 O LEU A 86 18.185 -17.549 -2.802 1.00 0.00 O ATOM 1247 CB LEU A 86 17.306 -15.389 -4.807 1.00 0.00 C ATOM 1248 CG LEU A 86 17.203 -14.482 -6.044 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.733 -14.184 -6.327 1.00 0.00 C ATOM 1250 CD2 LEU A 86 17.899 -13.136 -5.861 1.00 0.00 C ATOM 0 H LEU A 86 18.851 -17.768 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 86 19.434 -15.023 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.695 -16.275 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.869 -14.861 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 86 17.688 -15.019 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.654 -13.541 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.202 -15.117 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.292 -13.681 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.790 -12.543 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.447 -12.604 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.958 -13.298 -5.659 1.00 0.00 H new ATOM 1262 N PRO A 87 19.055 -15.638 -1.950 1.00 0.00 N ATOM 1263 CA PRO A 87 18.803 -15.992 -0.549 1.00 0.00 C ATOM 1264 C PRO A 87 17.280 -16.040 -0.284 1.00 0.00 C ATOM 1265 O PRO A 87 16.541 -15.295 -0.936 1.00 0.00 O ATOM 1266 CB PRO A 87 19.515 -14.926 0.297 1.00 0.00 C ATOM 1267 CG PRO A 87 20.567 -14.346 -0.651 1.00 0.00 C ATOM 1268 CD PRO A 87 19.915 -14.464 -2.028 1.00 0.00 C ATOM 0 HA PRO A 87 19.185 -16.981 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.821 -14.159 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.974 -15.361 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.800 -13.310 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.502 -14.904 -0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.339 -13.570 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.666 -14.578 -2.810 1.00 0.00 H new ATOM 1276 N PRO A 88 16.774 -16.845 0.674 1.00 0.00 N ATOM 1277 CA PRO A 88 15.331 -17.094 0.827 1.00 0.00 C ATOM 1278 C PRO A 88 14.469 -15.841 1.043 1.00 0.00 C ATOM 1279 O PRO A 88 13.324 -15.778 0.597 1.00 0.00 O ATOM 1280 CB PRO A 88 15.207 -18.049 2.019 1.00 0.00 C ATOM 1281 CG PRO A 88 16.538 -18.794 2.016 1.00 0.00 C ATOM 1282 CD PRO A 88 17.532 -17.735 1.548 1.00 0.00 C ATOM 0 HA PRO A 88 14.944 -17.508 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.052 -17.508 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.365 -18.731 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.790 -19.172 3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.517 -19.652 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.952 -17.190 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.367 -18.190 1.015 1.00 0.00 H new ATOM 1290 N GLU A 89 15.030 -14.802 1.664 1.00 0.00 N ATOM 1291 CA GLU A 89 14.319 -13.537 1.887 1.00 0.00 C ATOM 1292 C GLU A 89 13.976 -12.768 0.590 1.00 0.00 C ATOM 1293 O GLU A 89 13.051 -11.960 0.598 1.00 0.00 O ATOM 1294 CB GLU A 89 15.089 -12.685 2.907 1.00 0.00 C ATOM 1295 CG GLU A 89 16.481 -12.224 2.447 1.00 0.00 C ATOM 1296 CD GLU A 89 17.102 -11.239 3.464 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.681 -11.705 4.477 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.019 -10.003 3.262 1.00 0.00 O ATOM 0 H GLU A 89 15.984 -14.811 2.025 1.00 0.00 H new ATOM 0 HA GLU A 89 13.342 -13.780 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.492 -11.805 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.198 -13.258 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.134 -13.089 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.405 -11.745 1.471 1.00 0.00 H new ATOM 1305 N TRP A 90 14.649 -13.049 -0.534 1.00 0.00 N ATOM 1306 CA TRP A 90 14.425 -12.394 -1.839 1.00 0.00 C ATOM 1307 C TRP A 90 13.374 -13.073 -2.738 1.00 0.00 C ATOM 1308 O TRP A 90 13.082 -12.558 -3.818 1.00 0.00 O ATOM 1309 CB TRP A 90 15.770 -12.243 -2.564 1.00 0.00 C ATOM 1310 CG TRP A 90 16.684 -11.241 -1.938 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.707 -11.509 -1.098 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.594 -9.788 -2.004 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.252 -10.327 -0.633 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.566 -9.236 -1.122 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.736 -8.889 -2.668 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.632 -7.867 -0.851 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.802 -7.509 -2.413 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.726 -7.000 -1.484 1.00 0.00 C ATOM 0 H TRP A 90 15.384 -13.756 -0.566 1.00 0.00 H new ATOM 0 HA TRP A 90 13.995 -11.416 -1.625 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.270 -13.211 -2.588 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.584 -11.955 -3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.048 -12.498 -0.830 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.057 -10.270 -0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.019 -9.266 -3.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.370 -7.480 -0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.138 -6.835 -2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.739 -5.944 -1.257 1.00 0.00 H new ATOM 1329 N VAL A 91 12.808 -14.212 -2.319 1.00 0.00 N ATOM 1330 CA VAL A 91 11.766 -14.959 -3.068 1.00 0.00 C ATOM 1331 C VAL A 91 10.413 -15.053 -2.346 1.00 0.00 C ATOM 1332 O VAL A 91 9.414 -15.438 -2.952 1.00 0.00 O ATOM 1333 CB VAL A 91 12.253 -16.379 -3.420 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.411 -16.329 -4.423 1.00 0.00 C ATOM 1335 CG2 VAL A 91 12.706 -17.161 -2.180 1.00 0.00 C ATOM 0 H VAL A 91 13.060 -14.656 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 91 11.600 -14.377 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 91 11.401 -16.894 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.736 -17.343 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.080 -15.837 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.242 -15.771 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.040 -18.155 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.527 -16.632 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.873 -17.252 -1.483 1.00 0.00 H new ATOM 1345 N THR A 92 10.367 -14.710 -1.054 1.00 0.00 N ATOM 1346 CA THR A 92 9.208 -14.895 -0.152 1.00 0.00 C ATOM 1347 C THR A 92 8.218 -13.706 -0.157 1.00 0.00 C ATOM 1348 O THR A 92 7.256 -13.676 0.614 1.00 0.00 O ATOM 1349 CB THR A 92 9.724 -15.275 1.251 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.693 -15.677 2.134 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.533 -14.156 1.900 1.00 0.00 C ATOM 0 H THR A 92 11.163 -14.279 -0.583 1.00 0.00 H new ATOM 0 HA THR A 92 8.601 -15.718 -0.530 1.00 0.00 H new ATOM 0 HB THR A 92 10.378 -16.130 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.885 -15.154 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.872 -14.476 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.397 -13.923 1.277 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.909 -13.268 2.002 1.00 0.00 H new ATOM 1359 N GLN A 93 8.444 -12.721 -1.032 1.00 0.00 N ATOM 1360 CA GLN A 93 7.608 -11.539 -1.271 1.00 0.00 C ATOM 1361 C GLN A 93 6.167 -11.872 -1.715 1.00 0.00 C ATOM 1362 O GLN A 93 5.889 -12.950 -2.242 1.00 0.00 O ATOM 1363 CB GLN A 93 8.288 -10.672 -2.350 1.00 0.00 C ATOM 1364 CG GLN A 93 9.378 -9.750 -1.785 1.00 0.00 C ATOM 1365 CD GLN A 93 10.656 -10.454 -1.328 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.929 -11.592 -1.676 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.488 -9.830 -0.526 1.00 0.00 N ATOM 0 H GLN A 93 9.269 -12.728 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 93 7.519 -11.011 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.727 -11.323 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.532 -10.067 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.640 -9.015 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.964 -9.200 -0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.284 -8.879 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.338 -10.297 -0.209 1.00 0.00 H new ATOM 1376 N GLU A 94 5.255 -10.900 -1.559 1.00 0.00 N ATOM 1377 CA GLU A 94 3.860 -11.030 -2.024 1.00 0.00 C ATOM 1378 C GLU A 94 3.751 -11.163 -3.555 1.00 0.00 C ATOM 1379 O GLU A 94 2.882 -11.892 -4.038 1.00 0.00 O ATOM 1380 CB GLU A 94 2.977 -9.883 -1.498 1.00 0.00 C ATOM 1381 CG GLU A 94 3.551 -8.472 -1.662 1.00 0.00 C ATOM 1382 CD GLU A 94 2.512 -7.411 -1.242 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.371 -7.144 -0.022 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.821 -6.845 -2.121 1.00 0.00 O ATOM 0 H GLU A 94 5.459 -10.007 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 94 3.484 -11.962 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.016 -9.926 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.783 -10.055 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.451 -8.367 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.844 -8.311 -2.699 1.00 0.00 H new ATOM 1391 N ILE A 95 4.650 -10.513 -4.310 1.00 0.00 N ATOM 1392 CA ILE A 95 4.808 -10.722 -5.759 1.00 0.00 C ATOM 1393 C ILE A 95 6.279 -10.994 -6.102 1.00 0.00 C ATOM 1394 O ILE A 95 7.161 -10.196 -5.764 1.00 0.00 O ATOM 1395 CB ILE A 95 4.211 -9.561 -6.603 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.675 -9.434 -6.439 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.514 -9.754 -8.106 1.00 0.00 C ATOM 1398 CD1 ILE A 95 2.239 -8.400 -5.399 1.00 0.00 C ATOM 0 H ILE A 95 5.294 -9.820 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 95 4.228 -11.605 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 95 4.684 -8.652 -6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.239 -9.170 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.269 -10.406 -6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.085 -8.928 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.593 -9.778 -8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.078 -10.693 -8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.151 -8.374 -5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.643 -8.672 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.612 -7.417 -5.685 1.00 0.00 H new ATOM 1410 N PHE A 96 6.518 -12.100 -6.813 1.00 0.00 N ATOM 1411 CA PHE A 96 7.796 -12.458 -7.439 1.00 0.00 C ATOM 1412 C PHE A 96 7.580 -13.042 -8.846 1.00 0.00 C ATOM 1413 O PHE A 96 6.652 -13.824 -9.067 1.00 0.00 O ATOM 1414 CB PHE A 96 8.588 -13.442 -6.559 1.00 0.00 C ATOM 1415 CG PHE A 96 9.995 -13.734 -7.067 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.216 -14.662 -8.108 1.00 0.00 C ATOM 1417 CD2 PHE A 96 11.095 -13.052 -6.516 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.513 -14.885 -8.602 1.00 0.00 C ATOM 1419 CE2 PHE A 96 12.393 -13.285 -7.001 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.604 -14.195 -8.050 1.00 0.00 C ATOM 0 H PHE A 96 5.795 -12.801 -6.975 1.00 0.00 H new ATOM 0 HA PHE A 96 8.382 -11.544 -7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.654 -13.038 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.035 -14.379 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.382 -15.205 -8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.941 -12.344 -5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.670 -15.588 -9.407 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.232 -12.762 -6.565 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.601 -14.363 -8.430 1.00 0.00 H new ATOM 1430 N GLU A 97 8.465 -12.695 -9.783 1.00 0.00 N ATOM 1431 CA GLU A 97 8.571 -13.299 -11.122 1.00 0.00 C ATOM 1432 C GLU A 97 9.974 -13.074 -11.711 1.00 0.00 C ATOM 1433 O GLU A 97 10.715 -12.208 -11.244 1.00 0.00 O ATOM 1434 CB GLU A 97 7.463 -12.785 -12.061 1.00 0.00 C ATOM 1435 CG GLU A 97 7.523 -11.282 -12.324 1.00 0.00 C ATOM 1436 CD GLU A 97 6.211 -10.785 -12.947 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.917 -11.107 -14.123 1.00 0.00 O ATOM 1438 OE2 GLU A 97 5.444 -10.070 -12.262 1.00 0.00 O ATOM 0 H GLU A 97 9.155 -11.959 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 97 8.425 -14.374 -11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.532 -13.313 -13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.492 -13.030 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.711 -10.752 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.355 -11.058 -12.991 1.00 0.00 H new ATOM 1445 N ASP A 98 10.338 -13.852 -12.735 1.00 0.00 N ATOM 1446 CA ASP A 98 11.638 -13.774 -13.423 1.00 0.00 C ATOM 1447 C ASP A 98 11.465 -13.668 -14.954 1.00 0.00 C ATOM 1448 O ASP A 98 10.803 -14.503 -15.573 1.00 0.00 O ATOM 1449 CB ASP A 98 12.515 -14.974 -13.030 1.00 0.00 C ATOM 1450 CG ASP A 98 13.940 -14.887 -13.595 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.449 -13.761 -13.788 1.00 0.00 O ATOM 1452 OD2 ASP A 98 14.565 -15.943 -13.819 1.00 0.00 O ATOM 0 H ASP A 98 9.726 -14.571 -13.120 1.00 0.00 H new ATOM 0 HA ASP A 98 12.143 -12.863 -13.103 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.565 -15.040 -11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.045 -15.892 -13.384 1.00 0.00 H new ATOM 1457 N TRP A 99 12.048 -12.630 -15.561 1.00 0.00 N ATOM 1458 CA TRP A 99 11.882 -12.242 -16.973 1.00 0.00 C ATOM 1459 C TRP A 99 13.078 -12.642 -17.853 1.00 0.00 C ATOM 1460 O TRP A 99 14.165 -12.922 -17.355 1.00 0.00 O ATOM 1461 CB TRP A 99 11.570 -10.731 -17.042 1.00 0.00 C ATOM 1462 CG TRP A 99 10.283 -10.281 -16.407 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.245 -11.089 -16.076 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.871 -8.928 -16.009 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.235 -10.343 -15.514 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.567 -9.013 -15.434 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.443 -7.632 -16.078 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 7.882 -7.901 -14.937 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 9.753 -6.498 -15.589 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.481 -6.635 -15.011 1.00 0.00 C ATOM 0 H TRP A 99 12.680 -12.005 -15.061 1.00 0.00 H new ATOM 0 HA TRP A 99 11.042 -12.797 -17.390 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.391 -10.191 -16.569 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.555 -10.433 -18.090 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.216 -12.157 -16.230 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.347 -10.731 -15.195 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.424 -7.509 -16.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 6.901 -8.015 -14.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.208 -5.521 -15.661 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.965 -5.768 -14.625 1.00 0.00 H new ATOM 1481 N GLN A 100 12.868 -12.679 -19.175 1.00 0.00 N ATOM 1482 CA GLN A 100 13.814 -13.235 -20.154 1.00 0.00 C ATOM 1483 C GLN A 100 14.700 -12.139 -20.766 1.00 0.00 C ATOM 1484 O GLN A 100 15.806 -11.916 -20.274 1.00 0.00 O ATOM 1485 CB GLN A 100 13.080 -14.111 -21.199 1.00 0.00 C ATOM 1486 CG GLN A 100 12.304 -15.315 -20.619 1.00 0.00 C ATOM 1487 CD GLN A 100 10.912 -15.001 -20.062 1.00 0.00 C ATOM 1488 OE1 GLN A 100 10.427 -13.876 -20.081 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.206 -15.974 -19.537 1.00 0.00 N ATOM 0 H GLN A 100 12.017 -12.315 -19.604 1.00 0.00 H new ATOM 0 HA GLN A 100 14.502 -13.904 -19.636 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.382 -13.482 -21.752 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.812 -14.482 -21.917 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.201 -16.068 -21.400 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.902 -15.760 -19.824 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.585 -16.921 -19.508 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.278 -15.784 -19.158 1.00 0.00 H new ATOM 1498 N LEU A 101 14.183 -11.426 -21.778 1.00 0.00 N ATOM 1499 CA LEU A 101 14.829 -10.362 -22.571 1.00 0.00 C ATOM 1500 C LEU A 101 16.166 -10.743 -23.248 1.00 0.00 C ATOM 1501 O LEU A 101 16.909 -11.612 -22.795 1.00 0.00 O ATOM 1502 CB LEU A 101 15.032 -9.088 -21.706 1.00 0.00 C ATOM 1503 CG LEU A 101 13.826 -8.363 -21.090 1.00 0.00 C ATOM 1504 CD1 LEU A 101 12.749 -8.053 -22.121 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.199 -9.082 -19.903 1.00 0.00 C ATOM 0 H LEU A 101 13.226 -11.590 -22.090 1.00 0.00 H new ATOM 0 HA LEU A 101 14.133 -10.179 -23.390 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.698 -9.359 -20.886 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.563 -8.362 -22.322 1.00 0.00 H new ATOM 0 HG LEU A 101 14.246 -7.430 -20.714 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.918 -7.541 -21.636 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.164 -7.414 -22.900 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.393 -8.982 -22.566 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.355 -8.501 -19.530 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.852 -10.067 -20.216 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.941 -9.193 -19.112 1.00 0.00 H new ATOM 1517 N GLU A 102 16.519 -10.021 -24.315 1.00 0.00 N ATOM 1518 CA GLU A 102 17.867 -10.078 -24.908 1.00 0.00 C ATOM 1519 C GLU A 102 18.738 -9.005 -24.227 1.00 0.00 C ATOM 1520 O GLU A 102 18.280 -8.295 -23.327 1.00 0.00 O ATOM 1521 CB GLU A 102 17.829 -10.009 -26.447 1.00 0.00 C ATOM 1522 CG GLU A 102 17.216 -8.749 -27.060 1.00 0.00 C ATOM 1523 CD GLU A 102 17.044 -8.901 -28.585 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.048 -9.137 -29.298 1.00 0.00 O ATOM 1525 OE2 GLU A 102 15.897 -8.791 -29.082 1.00 0.00 O ATOM 0 H GLU A 102 15.885 -9.382 -24.794 1.00 0.00 H new ATOM 0 HA GLU A 102 18.331 -11.046 -24.717 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.849 -10.107 -26.818 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.273 -10.872 -26.813 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.248 -8.551 -26.600 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.852 -7.890 -26.846 1.00 0.00 H new ATOM 1532 N ASP A 103 20.015 -8.903 -24.582 1.00 0.00 N ATOM 1533 CA ASP A 103 20.949 -7.963 -23.953 1.00 0.00 C ATOM 1534 C ASP A 103 21.481 -6.945 -24.970 1.00 0.00 C ATOM 1535 O ASP A 103 22.153 -7.337 -25.930 1.00 0.00 O ATOM 1536 CB ASP A 103 22.090 -8.751 -23.297 1.00 0.00 C ATOM 1537 CG ASP A 103 23.224 -7.829 -22.823 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.915 -6.744 -22.275 1.00 0.00 O ATOM 1539 OD2 ASP A 103 24.409 -8.206 -22.981 1.00 0.00 O ATOM 0 H ASP A 103 20.437 -9.471 -25.317 1.00 0.00 H new ATOM 0 HA ASP A 103 20.424 -7.395 -23.185 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.701 -9.314 -22.449 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.485 -9.477 -24.007 1.00 0.00 H new ATOM 1544 N PRO A 104 21.215 -5.637 -24.782 1.00 0.00 N ATOM 1545 CA PRO A 104 21.694 -4.627 -25.706 1.00 0.00 C ATOM 1546 C PRO A 104 23.133 -4.158 -25.404 1.00 0.00 C ATOM 1547 O PRO A 104 23.713 -3.475 -26.242 1.00 0.00 O ATOM 1548 CB PRO A 104 20.683 -3.491 -25.573 1.00 0.00 C ATOM 1549 CG PRO A 104 20.333 -3.525 -24.086 1.00 0.00 C ATOM 1550 CD PRO A 104 20.341 -5.026 -23.781 1.00 0.00 C ATOM 0 HA PRO A 104 21.760 -5.015 -26.722 1.00 0.00 H new ATOM 0 HB2 PRO A 104 21.110 -2.532 -25.867 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.806 -3.654 -26.199 1.00 0.00 H new ATOM 0 HG2 PRO A 104 21.063 -2.984 -23.484 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.360 -3.075 -23.887 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.709 -5.217 -22.773 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.335 -5.441 -23.837 1.00 0.00 H new ATOM 1558 N ASP A 105 23.735 -4.497 -24.256 1.00 0.00 N ATOM 1559 CA ASP A 105 25.042 -3.965 -23.833 1.00 0.00 C ATOM 1560 C ASP A 105 26.185 -4.344 -24.803 1.00 0.00 C ATOM 1561 O ASP A 105 26.638 -5.492 -24.841 1.00 0.00 O ATOM 1562 CB ASP A 105 25.346 -4.421 -22.398 1.00 0.00 C ATOM 1563 CG ASP A 105 26.728 -3.942 -21.921 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.006 -2.721 -21.982 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.544 -4.775 -21.457 1.00 0.00 O ATOM 0 H ASP A 105 23.328 -5.152 -23.589 1.00 0.00 H new ATOM 0 HA ASP A 105 24.982 -2.877 -23.857 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.578 -4.038 -21.726 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.302 -5.509 -22.346 1.00 0.00 H new ATOM 1570 N GLY A 106 26.648 -3.364 -25.592 1.00 0.00 N ATOM 1571 CA GLY A 106 27.631 -3.542 -26.673 1.00 0.00 C ATOM 1572 C GLY A 106 27.051 -3.936 -28.047 1.00 0.00 C ATOM 1573 O GLY A 106 27.813 -4.105 -29.004 1.00 0.00 O ATOM 0 H GLY A 106 26.340 -2.396 -25.494 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.189 -2.613 -26.788 1.00 0.00 H new ATOM 0 HA3 GLY A 106 28.345 -4.307 -26.368 1.00 0.00 H new ATOM 1577 N GLN A 107 25.723 -4.065 -28.167 1.00 0.00 N ATOM 1578 CA GLN A 107 24.992 -4.396 -29.401 1.00 0.00 C ATOM 1579 C GLN A 107 24.431 -3.123 -30.084 1.00 0.00 C ATOM 1580 O GLN A 107 24.794 -2.000 -29.728 1.00 0.00 O ATOM 1581 CB GLN A 107 23.924 -5.477 -29.093 1.00 0.00 C ATOM 1582 CG GLN A 107 24.481 -6.902 -28.894 1.00 0.00 C ATOM 1583 CD GLN A 107 25.423 -7.035 -27.697 1.00 0.00 C ATOM 1584 OE1 GLN A 107 26.637 -7.101 -27.832 1.00 0.00 O ATOM 1585 NE2 GLN A 107 24.911 -7.065 -26.490 1.00 0.00 N ATOM 0 H GLN A 107 25.099 -3.936 -27.371 1.00 0.00 H new ATOM 0 HA GLN A 107 25.674 -4.826 -30.135 1.00 0.00 H new ATOM 0 HB2 GLN A 107 23.382 -5.186 -28.193 1.00 0.00 H new ATOM 0 HB3 GLN A 107 23.201 -5.496 -29.909 1.00 0.00 H new ATOM 0 HG2 GLN A 107 23.648 -7.593 -28.767 1.00 0.00 H new ATOM 0 HG3 GLN A 107 25.011 -7.204 -29.797 1.00 0.00 H new ATOM 0 HE21 GLN A 107 23.900 -7.011 -26.363 1.00 0.00 H new ATOM 0 HE22 GLN A 107 25.523 -7.143 -25.678 1.00 0.00 H new ATOM 1594 N SER A 108 23.600 -3.287 -31.124 1.00 0.00 N ATOM 1595 CA SER A 108 23.157 -2.177 -31.986 1.00 0.00 C ATOM 1596 C SER A 108 22.088 -1.303 -31.320 1.00 0.00 C ATOM 1597 O SER A 108 21.369 -1.746 -30.419 1.00 0.00 O ATOM 1598 CB SER A 108 22.685 -2.723 -33.344 1.00 0.00 C ATOM 1599 OG SER A 108 22.368 -1.649 -34.219 1.00 0.00 O ATOM 0 H SER A 108 23.215 -4.193 -31.393 1.00 0.00 H new ATOM 0 HA SER A 108 24.013 -1.522 -32.152 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.464 -3.344 -33.786 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.811 -3.359 -33.205 1.00 0.00 H new ATOM 0 HG SER A 108 22.070 -2.007 -35.081 1.00 0.00 H new ATOM 1605 N LEU A 109 21.926 -0.074 -31.812 1.00 0.00 N ATOM 1606 CA LEU A 109 20.914 0.893 -31.367 1.00 0.00 C ATOM 1607 C LEU A 109 19.494 0.329 -31.529 1.00 0.00 C ATOM 1608 O LEU A 109 18.634 0.554 -30.682 1.00 0.00 O ATOM 1609 CB LEU A 109 21.081 2.211 -32.156 1.00 0.00 C ATOM 1610 CG LEU A 109 22.419 2.974 -32.017 1.00 0.00 C ATOM 1611 CD1 LEU A 109 22.892 3.069 -30.568 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.563 2.387 -32.849 1.00 0.00 C ATOM 0 H LEU A 109 22.516 0.292 -32.559 1.00 0.00 H new ATOM 0 HA LEU A 109 21.061 1.092 -30.305 1.00 0.00 H new ATOM 0 HB2 LEU A 109 20.931 1.989 -33.213 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.279 2.885 -31.855 1.00 0.00 H new ATOM 0 HG LEU A 109 22.186 3.967 -32.402 1.00 0.00 H new ATOM 0 HD11 LEU A 109 23.835 3.614 -30.528 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.144 3.595 -29.975 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.035 2.066 -30.166 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.465 2.979 -32.696 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.747 1.358 -32.540 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.292 2.405 -33.905 1.00 0.00 H new ATOM 1624 N GLU A 110 19.270 -0.498 -32.551 1.00 0.00 N ATOM 1625 CA GLU A 110 18.009 -1.225 -32.744 1.00 0.00 C ATOM 1626 C GLU A 110 17.748 -2.253 -31.627 1.00 0.00 C ATOM 1627 O GLU A 110 16.595 -2.469 -31.259 1.00 0.00 O ATOM 1628 CB GLU A 110 18.024 -1.877 -34.136 1.00 0.00 C ATOM 1629 CG GLU A 110 16.646 -2.409 -34.549 1.00 0.00 C ATOM 1630 CD GLU A 110 16.668 -2.930 -35.999 1.00 0.00 C ATOM 1631 OE1 GLU A 110 17.024 -4.113 -36.221 1.00 0.00 O ATOM 1632 OE2 GLU A 110 16.328 -2.164 -36.933 1.00 0.00 O ATOM 0 H GLU A 110 19.963 -0.685 -33.276 1.00 0.00 H new ATOM 0 HA GLU A 110 17.181 -0.519 -32.686 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.364 -1.148 -34.872 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.743 -2.696 -34.143 1.00 0.00 H new ATOM 0 HG2 GLU A 110 16.345 -3.211 -33.875 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.903 -1.617 -34.454 1.00 0.00 H new ATOM 1639 N VAL A 111 18.788 -2.830 -31.008 1.00 0.00 N ATOM 1640 CA VAL A 111 18.636 -3.747 -29.864 1.00 0.00 C ATOM 1641 C VAL A 111 18.227 -2.972 -28.617 1.00 0.00 C ATOM 1642 O VAL A 111 17.289 -3.384 -27.941 1.00 0.00 O ATOM 1643 CB VAL A 111 19.876 -4.638 -29.629 1.00 0.00 C ATOM 1644 CG1 VAL A 111 19.568 -5.745 -28.609 1.00 0.00 C ATOM 1645 CG2 VAL A 111 20.305 -5.343 -30.926 1.00 0.00 C ATOM 0 H VAL A 111 19.758 -2.676 -31.284 1.00 0.00 H new ATOM 0 HA VAL A 111 17.834 -4.444 -30.108 1.00 0.00 H new ATOM 0 HB VAL A 111 20.666 -3.981 -29.267 1.00 0.00 H new ATOM 0 HG11 VAL A 111 20.456 -6.360 -28.460 1.00 0.00 H new ATOM 0 HG12 VAL A 111 19.275 -5.295 -27.661 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.755 -6.367 -28.982 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.180 -5.963 -30.731 1.00 0.00 H new ATOM 0 HG22 VAL A 111 19.489 -5.970 -31.287 1.00 0.00 H new ATOM 0 HG23 VAL A 111 20.551 -4.597 -31.682 1.00 0.00 H new ATOM 1655 N PHE A 112 18.816 -1.799 -28.351 1.00 0.00 N ATOM 1656 CA PHE A 112 18.328 -0.895 -27.291 1.00 0.00 C ATOM 1657 C PHE A 112 16.867 -0.478 -27.532 1.00 0.00 C ATOM 1658 O PHE A 112 16.029 -0.623 -26.644 1.00 0.00 O ATOM 1659 CB PHE A 112 19.241 0.342 -27.183 1.00 0.00 C ATOM 1660 CG PHE A 112 20.604 0.078 -26.572 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.756 0.009 -25.173 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.715 -0.139 -27.404 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.007 -0.318 -24.617 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.965 -0.450 -26.846 1.00 0.00 C ATOM 1665 CZ PHE A 112 23.108 -0.554 -25.454 1.00 0.00 C ATOM 0 H PHE A 112 19.632 -1.450 -28.853 1.00 0.00 H new ATOM 0 HA PHE A 112 18.359 -1.437 -26.346 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.381 0.761 -28.180 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.732 1.100 -26.587 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.913 0.207 -24.528 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.607 -0.066 -28.476 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.119 -0.387 -23.545 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.818 -0.609 -27.489 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.065 -0.816 -25.027 1.00 0.00 H new ATOM 1675 N ARG A 113 16.527 -0.047 -28.754 1.00 0.00 N ATOM 1676 CA ARG A 113 15.160 0.396 -29.110 1.00 0.00 C ATOM 1677 C ARG A 113 14.132 -0.748 -29.155 1.00 0.00 C ATOM 1678 O ARG A 113 12.944 -0.498 -28.975 1.00 0.00 O ATOM 1679 CB ARG A 113 15.201 1.198 -30.427 1.00 0.00 C ATOM 1680 CG ARG A 113 15.902 2.559 -30.260 1.00 0.00 C ATOM 1681 CD ARG A 113 15.848 3.378 -31.557 1.00 0.00 C ATOM 1682 NE ARG A 113 16.307 4.768 -31.340 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.110 5.492 -32.097 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.664 5.028 -33.182 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.364 6.724 -31.771 1.00 0.00 N ATOM 0 H ARG A 113 17.188 0.007 -29.529 1.00 0.00 H new ATOM 0 HA ARG A 113 14.809 1.047 -28.310 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.720 0.616 -31.189 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.184 1.357 -30.785 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.427 3.119 -29.454 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.941 2.402 -29.970 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.470 2.902 -32.315 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.828 3.386 -31.941 1.00 0.00 H new ATOM 0 HE ARG A 113 15.958 5.225 -30.498 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.483 4.068 -33.477 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.278 5.625 -33.736 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.944 7.127 -30.934 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.984 7.288 -32.352 1.00 0.00 H new ATOM 1699 N THR A 114 14.582 -1.995 -29.299 1.00 0.00 N ATOM 1700 CA THR A 114 13.758 -3.204 -29.141 1.00 0.00 C ATOM 1701 C THR A 114 13.555 -3.537 -27.663 1.00 0.00 C ATOM 1702 O THR A 114 12.419 -3.611 -27.198 1.00 0.00 O ATOM 1703 CB THR A 114 14.365 -4.413 -29.881 1.00 0.00 C ATOM 1704 OG1 THR A 114 14.483 -4.130 -31.257 1.00 0.00 O ATOM 1705 CG2 THR A 114 13.486 -5.660 -29.768 1.00 0.00 C ATOM 0 H THR A 114 15.553 -2.202 -29.534 1.00 0.00 H new ATOM 0 HA THR A 114 12.788 -2.991 -29.590 1.00 0.00 H new ATOM 0 HB THR A 114 15.334 -4.599 -29.418 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.343 -3.693 -31.429 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.954 -6.485 -30.305 1.00 0.00 H new ATOM 0 HG22 THR A 114 13.370 -5.929 -28.718 1.00 0.00 H new ATOM 0 HG23 THR A 114 12.507 -5.455 -30.201 1.00 0.00 H new ATOM 1713 N VAL A 115 14.642 -3.702 -26.895 1.00 0.00 N ATOM 1714 CA VAL A 115 14.591 -4.192 -25.501 1.00 0.00 C ATOM 1715 C VAL A 115 13.842 -3.217 -24.595 1.00 0.00 C ATOM 1716 O VAL A 115 13.066 -3.668 -23.755 1.00 0.00 O ATOM 1717 CB VAL A 115 15.999 -4.550 -24.965 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.971 -4.948 -23.482 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.559 -5.744 -25.736 1.00 0.00 C ATOM 0 H VAL A 115 15.587 -3.500 -27.221 1.00 0.00 H new ATOM 0 HA VAL A 115 14.021 -5.121 -25.497 1.00 0.00 H new ATOM 0 HB VAL A 115 16.616 -3.660 -25.091 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.981 -5.190 -23.151 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.584 -4.119 -22.890 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.328 -5.818 -23.351 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.550 -5.991 -25.355 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.897 -6.601 -25.610 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.630 -5.493 -26.794 1.00 0.00 H new ATOM 1729 N ARG A 116 13.960 -1.904 -24.823 1.00 0.00 N ATOM 1730 CA ARG A 116 13.240 -0.882 -24.034 1.00 0.00 C ATOM 1731 C ARG A 116 11.723 -1.108 -24.010 1.00 0.00 C ATOM 1732 O ARG A 116 11.119 -1.068 -22.950 1.00 0.00 O ATOM 1733 CB ARG A 116 13.646 0.526 -24.525 1.00 0.00 C ATOM 1734 CG ARG A 116 12.918 1.016 -25.785 1.00 0.00 C ATOM 1735 CD ARG A 116 13.415 2.393 -26.232 1.00 0.00 C ATOM 1736 NE ARG A 116 12.695 2.821 -27.449 1.00 0.00 N ATOM 1737 CZ ARG A 116 12.944 3.891 -28.183 1.00 0.00 C ATOM 1738 NH1 ARG A 116 13.893 4.718 -27.879 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.261 4.139 -29.262 1.00 0.00 N ATOM 0 H ARG A 116 14.554 -1.515 -25.556 1.00 0.00 H new ATOM 0 HA ARG A 116 13.539 -0.972 -22.990 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.466 1.239 -23.721 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.718 0.530 -24.720 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.065 0.298 -26.592 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.847 1.062 -25.590 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.262 3.120 -25.435 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.487 2.356 -26.428 1.00 0.00 H new ATOM 0 HE ARG A 116 11.924 2.228 -27.755 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.470 4.551 -27.055 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.063 5.536 -28.464 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.519 3.502 -29.554 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.467 4.970 -29.816 1.00 0.00 H new ATOM 1753 N GLY A 117 11.132 -1.451 -25.157 1.00 0.00 N ATOM 1754 CA GLY A 117 9.689 -1.697 -25.292 1.00 0.00 C ATOM 1755 C GLY A 117 9.249 -3.007 -24.635 1.00 0.00 C ATOM 1756 O GLY A 117 8.192 -3.059 -24.009 1.00 0.00 O ATOM 0 H GLY A 117 11.646 -1.568 -26.030 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.140 -0.869 -24.844 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.426 -1.719 -26.350 1.00 0.00 H new ATOM 1760 N GLN A 118 10.104 -4.038 -24.679 1.00 0.00 N ATOM 1761 CA GLN A 118 9.822 -5.329 -24.039 1.00 0.00 C ATOM 1762 C GLN A 118 9.879 -5.198 -22.514 1.00 0.00 C ATOM 1763 O GLN A 118 9.004 -5.687 -21.807 1.00 0.00 O ATOM 1764 CB GLN A 118 10.780 -6.422 -24.560 1.00 0.00 C ATOM 1765 CG GLN A 118 10.802 -6.605 -26.088 1.00 0.00 C ATOM 1766 CD GLN A 118 9.412 -6.674 -26.719 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.672 -7.633 -26.548 1.00 0.00 O ATOM 1768 NE2 GLN A 118 8.999 -5.660 -27.455 1.00 0.00 N ATOM 0 H GLN A 118 11.005 -4.001 -25.156 1.00 0.00 H new ATOM 0 HA GLN A 118 8.810 -5.635 -24.304 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.790 -6.186 -24.224 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.505 -7.372 -24.101 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.354 -5.779 -26.536 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.346 -7.519 -26.328 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.609 -4.856 -27.603 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.070 -5.680 -27.876 1.00 0.00 H new ATOM 1777 N VAL A 119 10.863 -4.456 -21.999 1.00 0.00 N ATOM 1778 CA VAL A 119 10.917 -4.067 -20.579 1.00 0.00 C ATOM 1779 C VAL A 119 9.719 -3.191 -20.205 1.00 0.00 C ATOM 1780 O VAL A 119 9.075 -3.470 -19.199 1.00 0.00 O ATOM 1781 CB VAL A 119 12.246 -3.368 -20.256 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.288 -2.856 -18.819 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.434 -4.324 -20.432 1.00 0.00 C ATOM 0 H VAL A 119 11.646 -4.106 -22.551 1.00 0.00 H new ATOM 0 HA VAL A 119 10.863 -4.973 -19.975 1.00 0.00 H new ATOM 0 HB VAL A 119 12.318 -2.531 -20.951 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.245 -2.369 -18.634 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.481 -2.140 -18.664 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.168 -3.693 -18.131 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.360 -3.800 -20.196 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.318 -5.176 -19.762 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.468 -4.676 -21.463 1.00 0.00 H new ATOM 1793 N LYS A 120 9.368 -2.183 -21.014 1.00 0.00 N ATOM 1794 CA LYS A 120 8.222 -1.288 -20.772 1.00 0.00 C ATOM 1795 C LYS A 120 6.925 -2.065 -20.600 1.00 0.00 C ATOM 1796 O LYS A 120 6.247 -1.848 -19.607 1.00 0.00 O ATOM 1797 CB LYS A 120 8.136 -0.230 -21.888 1.00 0.00 C ATOM 1798 CG LYS A 120 7.032 0.820 -21.659 1.00 0.00 C ATOM 1799 CD LYS A 120 5.709 0.525 -22.389 1.00 0.00 C ATOM 1800 CE LYS A 120 4.721 1.681 -22.163 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.428 1.455 -22.867 1.00 0.00 N ATOM 0 H LYS A 120 9.878 -1.961 -21.869 1.00 0.00 H new ATOM 0 HA LYS A 120 8.381 -0.764 -19.829 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.097 0.278 -21.971 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.957 -0.731 -22.839 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.834 0.893 -20.590 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.401 1.793 -21.982 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.893 0.395 -23.455 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.281 -0.408 -22.023 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.537 1.797 -21.095 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.166 2.612 -22.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.012 2.371 -23.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.594 0.890 -23.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.774 0.946 -22.238 1.00 0.00 H new ATOM 1815 N GLU A 121 6.582 -2.991 -21.496 1.00 0.00 N ATOM 1816 CA GLU A 121 5.316 -3.744 -21.381 1.00 0.00 C ATOM 1817 C GLU A 121 5.314 -4.742 -20.210 1.00 0.00 C ATOM 1818 O GLU A 121 4.272 -4.966 -19.592 1.00 0.00 O ATOM 1819 CB GLU A 121 4.927 -4.406 -22.714 1.00 0.00 C ATOM 1820 CG GLU A 121 5.818 -5.569 -23.159 1.00 0.00 C ATOM 1821 CD GLU A 121 5.294 -6.179 -24.477 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.548 -5.608 -25.566 1.00 0.00 O ATOM 1823 OE2 GLU A 121 4.609 -7.230 -24.431 1.00 0.00 O ATOM 0 H GLU A 121 7.151 -3.242 -22.304 1.00 0.00 H new ATOM 0 HA GLU A 121 4.542 -3.013 -21.146 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.902 -4.767 -22.634 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.937 -3.645 -23.494 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.841 -5.219 -23.295 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.843 -6.333 -22.382 1.00 0.00 H new ATOM 1830 N ARG A 122 6.485 -5.277 -19.834 1.00 0.00 N ATOM 1831 CA ARG A 122 6.644 -6.130 -18.639 1.00 0.00 C ATOM 1832 C ARG A 122 6.452 -5.323 -17.354 1.00 0.00 C ATOM 1833 O ARG A 122 5.618 -5.677 -16.526 1.00 0.00 O ATOM 1834 CB ARG A 122 7.992 -6.865 -18.704 1.00 0.00 C ATOM 1835 CG ARG A 122 7.984 -7.960 -19.784 1.00 0.00 C ATOM 1836 CD ARG A 122 9.401 -8.460 -20.065 1.00 0.00 C ATOM 1837 NE ARG A 122 9.389 -9.560 -21.052 1.00 0.00 N ATOM 1838 CZ ARG A 122 9.381 -10.860 -20.819 1.00 0.00 C ATOM 1839 NH1 ARG A 122 9.243 -11.360 -19.626 1.00 0.00 N ATOM 1840 NH2 ARG A 122 9.541 -11.709 -21.787 1.00 0.00 N ATOM 0 H ARG A 122 7.353 -5.132 -20.349 1.00 0.00 H new ATOM 0 HA ARG A 122 5.863 -6.890 -18.625 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.788 -6.150 -18.914 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.212 -7.311 -17.734 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.358 -8.792 -19.460 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.544 -7.569 -20.701 1.00 0.00 H new ATOM 0 HD2 ARG A 122 10.013 -7.639 -20.438 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.860 -8.804 -19.138 1.00 0.00 H new ATOM 0 HE ARG A 122 9.387 -9.281 -22.033 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.135 -10.741 -18.823 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.243 -12.371 -19.494 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.675 -11.375 -22.741 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.533 -12.710 -21.594 1.00 0.00 H new ATOM 1854 N VAL A 123 7.133 -4.181 -17.230 1.00 0.00 N ATOM 1855 CA VAL A 123 6.911 -3.179 -16.172 1.00 0.00 C ATOM 1856 C VAL A 123 5.453 -2.706 -16.135 1.00 0.00 C ATOM 1857 O VAL A 123 4.890 -2.598 -15.053 1.00 0.00 O ATOM 1858 CB VAL A 123 7.874 -2.006 -16.407 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.573 -0.781 -15.557 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.321 -2.419 -16.112 1.00 0.00 C ATOM 0 H VAL A 123 7.875 -3.916 -17.878 1.00 0.00 H new ATOM 0 HA VAL A 123 7.110 -3.630 -15.200 1.00 0.00 H new ATOM 0 HB VAL A 123 7.736 -1.742 -17.456 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.296 0.003 -15.780 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.568 -0.422 -15.779 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.639 -1.045 -14.502 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.984 -1.571 -16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.404 -2.737 -15.073 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.605 -3.242 -16.767 1.00 0.00 H new ATOM 1870 N GLU A 124 4.808 -2.474 -17.279 1.00 0.00 N ATOM 1871 CA GLU A 124 3.401 -2.093 -17.347 1.00 0.00 C ATOM 1872 C GLU A 124 2.481 -3.176 -16.772 1.00 0.00 C ATOM 1873 O GLU A 124 1.643 -2.866 -15.924 1.00 0.00 O ATOM 1874 CB GLU A 124 3.029 -1.783 -18.809 1.00 0.00 C ATOM 1875 CG GLU A 124 1.974 -0.694 -18.873 1.00 0.00 C ATOM 1876 CD GLU A 124 1.333 -0.619 -20.270 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.040 -0.272 -21.248 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.118 -0.909 -20.399 1.00 0.00 O ATOM 0 H GLU A 124 5.255 -2.547 -18.193 1.00 0.00 H new ATOM 0 HA GLU A 124 3.259 -1.203 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.917 -1.469 -19.357 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.658 -2.685 -19.295 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.203 -0.887 -18.127 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.425 0.267 -18.625 1.00 0.00 H new ATOM 1885 N ASN A 125 2.673 -4.451 -17.153 1.00 0.00 N ATOM 1886 CA ASN A 125 1.871 -5.553 -16.600 1.00 0.00 C ATOM 1887 C ASN A 125 2.118 -5.714 -15.090 1.00 0.00 C ATOM 1888 O ASN A 125 1.172 -5.916 -14.329 1.00 0.00 O ATOM 1889 CB ASN A 125 2.040 -6.853 -17.435 1.00 0.00 C ATOM 1890 CG ASN A 125 3.019 -7.904 -16.906 1.00 0.00 C ATOM 1891 OD1 ASN A 125 2.961 -8.343 -15.765 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.909 -8.411 -17.726 1.00 0.00 N ATOM 0 H ASN A 125 3.372 -4.741 -17.837 1.00 0.00 H new ATOM 0 HA ASN A 125 0.814 -5.304 -16.689 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.061 -7.322 -17.531 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.358 -6.571 -18.439 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.532 -9.153 -17.407 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.978 -8.063 -18.682 1.00 0.00 H new ATOM 1899 N LEU A 126 3.375 -5.545 -14.658 1.00 0.00 N ATOM 1900 CA LEU A 126 3.776 -5.561 -13.255 1.00 0.00 C ATOM 1901 C LEU A 126 3.045 -4.474 -12.476 1.00 0.00 C ATOM 1902 O LEU A 126 2.386 -4.779 -11.490 1.00 0.00 O ATOM 1903 CB LEU A 126 5.316 -5.470 -13.181 1.00 0.00 C ATOM 1904 CG LEU A 126 6.004 -5.440 -11.803 1.00 0.00 C ATOM 1905 CD1 LEU A 126 6.018 -4.057 -11.155 1.00 0.00 C ATOM 1906 CD2 LEU A 126 5.416 -6.442 -10.814 1.00 0.00 C ATOM 0 H LEU A 126 4.157 -5.390 -15.295 1.00 0.00 H new ATOM 0 HA LEU A 126 3.486 -6.496 -12.775 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.721 -6.319 -13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.617 -4.570 -13.717 1.00 0.00 H new ATOM 0 HG LEU A 126 7.032 -5.726 -12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.518 -4.113 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.552 -3.359 -11.800 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.994 -3.711 -11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.946 -6.369 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.360 -6.223 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.522 -7.451 -11.212 1.00 0.00 H new ATOM 1918 N ILE A 127 3.102 -3.221 -12.919 1.00 0.00 N ATOM 1919 CA ILE A 127 2.480 -2.127 -12.158 1.00 0.00 C ATOM 1920 C ILE A 127 0.951 -2.246 -12.156 1.00 0.00 C ATOM 1921 O ILE A 127 0.331 -2.095 -11.102 1.00 0.00 O ATOM 1922 CB ILE A 127 2.965 -0.774 -12.709 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.477 -0.615 -12.434 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.211 0.429 -12.106 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.152 0.340 -13.415 1.00 0.00 C ATOM 0 H ILE A 127 3.562 -2.935 -13.783 1.00 0.00 H new ATOM 0 HA ILE A 127 2.789 -2.196 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 127 2.763 -0.778 -13.780 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.622 -0.249 -11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 127 4.958 -1.591 -12.493 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.599 1.353 -12.534 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.148 0.342 -12.332 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.353 0.443 -11.025 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.213 0.416 -13.177 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.034 -0.038 -14.430 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.692 1.325 -13.339 1.00 0.00 H new ATOM 1937 N ALA A 128 0.346 -2.578 -13.300 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.108 -2.664 -13.446 1.00 0.00 C ATOM 1939 C ALA A 128 -1.753 -3.736 -12.547 1.00 0.00 C ATOM 1940 O ALA A 128 -2.895 -3.562 -12.110 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.434 -2.909 -14.926 1.00 0.00 C ATOM 0 H ALA A 128 0.856 -2.796 -14.156 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.538 -1.719 -13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.514 -2.976 -15.054 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.048 -2.084 -15.525 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.972 -3.841 -15.251 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.023 -4.820 -12.243 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.503 -5.907 -11.369 1.00 0.00 C ATOM 1949 C LYS A 129 -1.172 -5.729 -9.880 1.00 0.00 C ATOM 1950 O LYS A 129 -1.855 -6.344 -9.061 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.070 -7.274 -11.933 1.00 0.00 C ATOM 1952 CG LYS A 129 0.393 -7.631 -11.646 1.00 0.00 C ATOM 1953 CD LYS A 129 0.866 -8.771 -12.554 1.00 0.00 C ATOM 1954 CE LYS A 129 2.340 -9.067 -12.262 1.00 0.00 C ATOM 1955 NZ LYS A 129 2.956 -9.863 -13.355 1.00 0.00 N ATOM 0 H LYS A 129 -0.078 -4.970 -12.597 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.592 -5.862 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -1.712 -8.049 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.230 -7.278 -13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.022 -6.754 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.502 -7.923 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.263 -9.663 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.738 -8.495 -13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.884 -8.131 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.425 -9.610 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.950 -10.063 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.440 -10.759 -13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.911 -9.325 -14.244 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.179 -4.898 -9.514 1.00 0.00 N ATOM 1970 CA ILE A 130 0.201 -4.719 -8.090 1.00 0.00 C ATOM 1971 C ILE A 130 -0.310 -3.431 -7.432 1.00 0.00 C ATOM 1972 O ILE A 130 -0.411 -3.415 -6.205 1.00 0.00 O ATOM 1973 CB ILE A 130 1.718 -4.893 -7.840 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.550 -3.689 -8.344 1.00 0.00 C ATOM 1975 CG2 ILE A 130 2.193 -6.248 -8.396 1.00 0.00 C ATOM 1976 CD1 ILE A 130 4.060 -3.803 -8.093 1.00 0.00 C ATOM 0 H ILE A 130 0.372 -4.344 -10.170 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.325 -5.535 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 130 1.889 -4.906 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.381 -3.571 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.183 -2.783 -7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 130 3.262 -6.361 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.654 -7.054 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.000 -6.289 -9.468 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.561 -2.915 -8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.245 -3.888 -7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.447 -4.687 -8.599 1.00 0.00 H new ATOM 1988 N SER A 131 -0.584 -2.368 -8.204 1.00 0.00 N ATOM 1989 CA SER A 131 -0.872 -1.001 -7.698 1.00 0.00 C ATOM 1990 C SER A 131 -1.895 -0.954 -6.552 1.00 0.00 C ATOM 1991 O SER A 131 -1.494 -0.562 -5.430 1.00 0.00 O ATOM 1992 CB SER A 131 -1.338 -0.085 -8.831 1.00 0.00 C ATOM 1993 OG SER A 131 -0.259 0.164 -9.712 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.081 -1.299 -6.770 1.00 0.00 O ATOM 0 H SER A 131 -0.614 -2.428 -9.222 1.00 0.00 H new ATOM 0 HA SER A 131 0.074 -0.647 -7.289 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.163 -0.549 -9.372 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.712 0.854 -8.423 1.00 0.00 H new ATOM 0 HG SER A 131 -0.038 -0.657 -10.199 1.00 0.00 H new TER 2000 SER A 131