USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 53 MET CE :methyl -166:sc= -0.0851 (180deg=-0.617) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.9!) USER MOD Set 2.2: A 93 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 3.1: A 73 MET CE :methyl 165:sc=-0.000834 (180deg=-0.325) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 68 GLN : amide:sc= 0.775 K(o=1.6,f=-0.65) USER MOD Set 4.2: A 69 GLN : amide:sc= 0.871 K(o=1.6,f=-0.11) USER MOD Set 5.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 59 TYR OH : rot -37:sc= 1.46 USER MOD Set 6.2: A 63 LYS NZ :NH3+ 157:sc= 0.619 (180deg=0.107) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.477 K(o=0.48,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 170:sc= 0 (180deg=-0.126) USER MOD Single : A 48 THR OG1 : rot -80:sc= 0.813 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0297 USER MOD Single : A 58 GLN : amide:sc= 0.844 K(o=0.84,f=-0.64) USER MOD Single : A 64 GLN : amide:sc= 0.096 X(o=0.096,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.5 K(o=1.5,f=-0.041) USER MOD Single : A 76 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.228 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 101 MET CE :methyl -173:sc= -0.543 (180deg=-0.673) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.219 K(o=-0.22,f=-5.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 9.043 14.333 12.063 1.00 0.00 N ATOM 2 CA GLN A 23 10.108 14.266 11.053 1.00 0.00 C ATOM 3 C GLN A 23 9.955 13.073 10.080 1.00 0.00 C ATOM 4 O GLN A 23 10.897 12.719 9.367 1.00 0.00 O ATOM 5 CB GLN A 23 11.491 14.298 11.736 1.00 0.00 C ATOM 6 CG GLN A 23 11.732 15.582 12.553 1.00 0.00 C ATOM 7 CD GLN A 23 13.127 15.662 13.183 1.00 0.00 C ATOM 8 OE1 GLN A 23 13.967 14.774 13.078 1.00 0.00 O ATOM 9 NE2 GLN A 23 13.435 16.741 13.874 1.00 0.00 N ATOM 0 HA GLN A 23 10.017 15.151 10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.585 13.433 12.393 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.267 14.207 10.976 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.586 16.446 11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.983 15.645 13.342 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.754 17.493 13.976 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.355 16.824 14.307 1.00 0.00 H new ATOM 18 N ILE A 24 8.740 12.505 10.035 1.00 0.00 N ATOM 19 CA ILE A 24 8.261 11.340 9.263 1.00 0.00 C ATOM 20 C ILE A 24 9.012 10.029 9.570 1.00 0.00 C ATOM 21 O ILE A 24 10.174 10.009 9.978 1.00 0.00 O ATOM 22 CB ILE A 24 8.221 11.703 7.761 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.230 12.855 7.460 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.887 10.518 6.833 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.597 13.683 6.222 1.00 0.00 C ATOM 0 H ILE A 24 7.983 12.891 10.600 1.00 0.00 H new ATOM 0 HA ILE A 24 7.245 11.116 9.587 1.00 0.00 H new ATOM 0 HB ILE A 24 9.241 12.022 7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.233 12.437 7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.182 13.516 8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.879 10.858 5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.639 9.738 6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.906 10.119 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.856 14.469 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.580 14.132 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.616 13.037 5.345 1.00 0.00 H new ATOM 37 N ASN A 25 8.324 8.899 9.368 1.00 0.00 N ATOM 38 CA ASN A 25 8.822 7.554 9.670 1.00 0.00 C ATOM 39 C ASN A 25 9.215 6.768 8.399 1.00 0.00 C ATOM 40 O ASN A 25 8.881 5.594 8.226 1.00 0.00 O ATOM 41 CB ASN A 25 7.803 6.834 10.572 1.00 0.00 C ATOM 42 CG ASN A 25 7.274 7.684 11.722 1.00 0.00 C ATOM 43 OD1 ASN A 25 6.078 7.910 11.856 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.127 8.207 12.575 1.00 0.00 N ATOM 0 H ASN A 25 7.381 8.896 8.980 1.00 0.00 H new ATOM 0 HA ASN A 25 9.758 7.627 10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.962 6.506 9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.268 5.937 10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.790 8.794 13.338 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.126 8.026 12.474 1.00 0.00 H new ATOM 51 N GLN A 26 9.894 7.463 7.485 1.00 0.00 N ATOM 52 CA GLN A 26 10.275 7.031 6.136 1.00 0.00 C ATOM 53 C GLN A 26 11.726 7.447 5.790 1.00 0.00 C ATOM 54 O GLN A 26 12.445 7.971 6.641 1.00 0.00 O ATOM 55 CB GLN A 26 9.214 7.422 5.101 1.00 0.00 C ATOM 56 CG GLN A 26 9.016 6.256 4.108 1.00 0.00 C ATOM 57 CD GLN A 26 8.347 5.025 4.738 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.207 5.053 5.179 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.031 3.900 4.819 1.00 0.00 N ATOM 0 H GLN A 26 10.216 8.411 7.681 1.00 0.00 H new ATOM 0 HA GLN A 26 10.295 5.942 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.273 7.655 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.524 8.321 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.410 6.601 3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.985 5.966 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.984 3.855 4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.607 3.075 5.243 1.00 0.00 H new ATOM 68 N VAL A 27 12.195 7.145 4.575 1.00 0.00 N ATOM 69 CA VAL A 27 13.612 7.225 4.160 1.00 0.00 C ATOM 70 C VAL A 27 13.965 8.434 3.282 1.00 0.00 C ATOM 71 O VAL A 27 13.117 9.017 2.606 1.00 0.00 O ATOM 72 CB VAL A 27 13.980 5.886 3.474 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.421 5.782 2.951 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.803 4.707 4.448 1.00 0.00 C ATOM 0 H VAL A 27 11.583 6.827 3.823 1.00 0.00 H new ATOM 0 HA VAL A 27 14.211 7.385 5.056 1.00 0.00 H new ATOM 0 HB VAL A 27 13.301 5.850 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.571 4.806 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.597 6.563 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.119 5.903 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.067 3.777 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.451 4.849 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.765 4.660 4.777 1.00 0.00 H new ATOM 84 N ARG A 28 15.250 8.815 3.327 1.00 0.00 N ATOM 85 CA ARG A 28 15.868 9.921 2.583 1.00 0.00 C ATOM 86 C ARG A 28 16.491 9.457 1.246 1.00 0.00 C ATOM 87 O ARG A 28 17.301 8.527 1.267 1.00 0.00 O ATOM 88 CB ARG A 28 16.888 10.598 3.524 1.00 0.00 C ATOM 89 CG ARG A 28 17.639 11.784 2.898 1.00 0.00 C ATOM 90 CD ARG A 28 18.359 12.649 3.941 1.00 0.00 C ATOM 91 NE ARG A 28 19.535 11.986 4.534 1.00 0.00 N ATOM 92 CZ ARG A 28 20.376 12.541 5.392 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.264 13.781 5.778 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.363 11.848 5.885 1.00 0.00 N ATOM 0 H ARG A 28 15.925 8.330 3.919 1.00 0.00 H new ATOM 0 HA ARG A 28 15.110 10.646 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.367 10.944 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.615 9.853 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.367 11.408 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.934 12.403 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.673 13.583 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.658 12.909 4.734 1.00 0.00 H new ATOM 0 HE ARG A 28 19.715 11.020 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.507 14.361 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.933 14.171 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.490 10.874 5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.009 12.279 6.546 1.00 0.00 H new ATOM 108 N PRO A 29 16.161 10.088 0.096 1.00 0.00 N ATOM 109 CA PRO A 29 16.856 9.874 -1.181 1.00 0.00 C ATOM 110 C PRO A 29 18.343 10.262 -1.096 1.00 0.00 C ATOM 111 O PRO A 29 18.736 11.051 -0.234 1.00 0.00 O ATOM 112 CB PRO A 29 16.140 10.755 -2.217 1.00 0.00 C ATOM 113 CG PRO A 29 14.811 11.138 -1.568 1.00 0.00 C ATOM 114 CD PRO A 29 15.095 11.060 -0.071 1.00 0.00 C ATOM 0 HA PRO A 29 16.826 8.819 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.730 11.639 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.981 10.215 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.497 12.139 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.013 10.455 -1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.393 12.033 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.204 10.756 0.478 1.00 0.00 H new ATOM 122 N LYS A 30 19.175 9.780 -2.027 1.00 0.00 N ATOM 123 CA LYS A 30 20.585 10.204 -2.123 1.00 0.00 C ATOM 124 C LYS A 30 20.676 11.680 -2.526 1.00 0.00 C ATOM 125 O LYS A 30 19.790 12.203 -3.203 1.00 0.00 O ATOM 126 CB LYS A 30 21.354 9.282 -3.090 1.00 0.00 C ATOM 127 CG LYS A 30 22.756 8.907 -2.598 1.00 0.00 C ATOM 128 CD LYS A 30 23.619 8.294 -3.711 1.00 0.00 C ATOM 129 CE LYS A 30 25.013 7.952 -3.162 1.00 0.00 C ATOM 130 NZ LYS A 30 25.886 7.339 -4.201 1.00 0.00 N ATOM 0 H LYS A 30 18.899 9.093 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 30 21.056 10.112 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.777 8.370 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.438 9.775 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.251 9.795 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.672 8.198 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.141 7.395 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.707 8.994 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.485 8.858 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.913 7.266 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.817 7.124 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.449 6.461 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 26.003 8.004 -4.992 1.00 0.00 H new ATOM 144 N LEU A 31 21.770 12.339 -2.152 1.00 0.00 N ATOM 145 CA LEU A 31 21.949 13.798 -2.284 1.00 0.00 C ATOM 146 C LEU A 31 21.678 14.368 -3.697 1.00 0.00 C ATOM 147 O LEU A 31 20.940 15.353 -3.783 1.00 0.00 O ATOM 148 CB LEU A 31 23.344 14.208 -1.764 1.00 0.00 C ATOM 149 CG LEU A 31 23.604 13.939 -0.266 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.018 14.392 0.095 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.620 14.671 0.650 1.00 0.00 C ATOM 0 H LEU A 31 22.578 11.872 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 31 21.175 14.250 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.099 13.679 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.484 15.272 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 31 23.475 12.868 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.202 14.202 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.741 13.839 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.121 15.458 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.853 14.443 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.702 15.746 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.604 14.346 0.426 1.00 0.00 H new ATOM 163 N PRO A 32 22.169 13.776 -4.812 1.00 0.00 N ATOM 164 CA PRO A 32 21.855 14.286 -6.151 1.00 0.00 C ATOM 165 C PRO A 32 20.385 14.112 -6.550 1.00 0.00 C ATOM 166 O PRO A 32 19.886 14.942 -7.303 1.00 0.00 O ATOM 167 CB PRO A 32 22.791 13.555 -7.119 1.00 0.00 C ATOM 168 CG PRO A 32 23.162 12.276 -6.372 1.00 0.00 C ATOM 169 CD PRO A 32 23.171 12.718 -4.911 1.00 0.00 C ATOM 0 HA PRO A 32 22.009 15.365 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 32 22.296 13.336 -8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 32 23.673 14.153 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.437 11.482 -6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 32 24.134 11.895 -6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.929 11.887 -4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 32 24.156 13.083 -4.618 1.00 0.00 H new ATOM 177 N LEU A 33 19.666 13.095 -6.043 1.00 0.00 N ATOM 178 CA LEU A 33 18.240 12.914 -6.343 1.00 0.00 C ATOM 179 C LEU A 33 17.367 13.844 -5.486 1.00 0.00 C ATOM 180 O LEU A 33 16.480 14.517 -6.006 1.00 0.00 O ATOM 181 CB LEU A 33 17.825 11.429 -6.213 1.00 0.00 C ATOM 182 CG LEU A 33 18.497 10.401 -7.155 1.00 0.00 C ATOM 183 CD1 LEU A 33 17.485 9.314 -7.533 1.00 0.00 C ATOM 184 CD2 LEU A 33 19.042 10.974 -8.461 1.00 0.00 C ATOM 0 H LEU A 33 20.054 12.385 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 33 18.074 13.198 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.018 11.117 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.748 11.369 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 33 19.346 10.021 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.959 8.590 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.141 8.808 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 16.635 9.769 -8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.492 10.174 -9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.228 11.427 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.795 11.730 -8.240 1.00 0.00 H new ATOM 196 N LEU A 34 17.681 13.975 -4.194 1.00 0.00 N ATOM 197 CA LEU A 34 17.044 14.913 -3.256 1.00 0.00 C ATOM 198 C LEU A 34 17.082 16.370 -3.751 1.00 0.00 C ATOM 199 O LEU A 34 16.164 17.136 -3.466 1.00 0.00 O ATOM 200 CB LEU A 34 17.757 14.757 -1.897 1.00 0.00 C ATOM 201 CG LEU A 34 17.185 15.583 -0.726 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.719 15.254 -0.440 1.00 0.00 C ATOM 203 CD2 LEU A 34 17.992 15.280 0.536 1.00 0.00 C ATOM 0 H LEU A 34 18.410 13.413 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 34 15.984 14.673 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.733 13.704 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.805 15.028 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 34 17.251 16.634 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.365 15.862 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.119 15.466 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.626 14.199 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.595 15.859 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.921 14.217 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.036 15.547 0.373 1.00 0.00 H new ATOM 215 N LYS A 35 18.111 16.762 -4.514 1.00 0.00 N ATOM 216 CA LYS A 35 18.281 18.126 -5.030 1.00 0.00 C ATOM 217 C LYS A 35 17.099 18.600 -5.877 1.00 0.00 C ATOM 218 O LYS A 35 16.682 19.745 -5.753 1.00 0.00 O ATOM 219 CB LYS A 35 19.608 18.198 -5.818 1.00 0.00 C ATOM 220 CG LYS A 35 20.279 19.565 -5.637 1.00 0.00 C ATOM 221 CD LYS A 35 20.958 19.661 -4.256 1.00 0.00 C ATOM 222 CE LYS A 35 22.363 19.031 -4.207 1.00 0.00 C ATOM 223 NZ LYS A 35 23.394 19.866 -4.890 1.00 0.00 N ATOM 0 H LYS A 35 18.861 16.130 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 35 18.316 18.808 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.281 17.411 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.417 18.019 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.019 19.719 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.536 20.356 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.031 20.710 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.325 19.172 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.653 18.882 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.331 18.047 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.319 19.395 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.135 19.988 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.447 20.797 -4.430 1.00 0.00 H new ATOM 237 N ILE A 36 16.506 17.704 -6.668 1.00 0.00 N ATOM 238 CA ILE A 36 15.318 17.962 -7.492 1.00 0.00 C ATOM 239 C ILE A 36 14.107 18.251 -6.580 1.00 0.00 C ATOM 240 O ILE A 36 13.387 19.227 -6.778 1.00 0.00 O ATOM 241 CB ILE A 36 15.063 16.735 -8.386 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.181 16.512 -9.426 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.751 16.909 -9.172 1.00 0.00 C ATOM 244 CD1 ILE A 36 17.594 16.160 -8.963 1.00 0.00 C ATOM 0 H ILE A 36 16.848 16.747 -6.757 1.00 0.00 H new ATOM 0 HA ILE A 36 15.475 18.834 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 36 15.021 15.880 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.850 15.715 -10.092 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.253 17.420 -10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.584 16.034 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.921 17.019 -8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.818 17.798 -9.799 1.00 0.00 H new ATOM 0 HD11 ILE A 36 18.242 16.041 -9.831 1.00 0.00 H new ATOM 0 HD12 ILE A 36 17.979 16.959 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.570 15.228 -8.398 1.00 0.00 H new ATOM 256 N LEU A 37 13.915 17.428 -5.536 1.00 0.00 N ATOM 257 CA LEU A 37 12.818 17.542 -4.563 1.00 0.00 C ATOM 258 C LEU A 37 12.918 18.868 -3.790 1.00 0.00 C ATOM 259 O LEU A 37 11.935 19.591 -3.639 1.00 0.00 O ATOM 260 CB LEU A 37 12.867 16.336 -3.590 1.00 0.00 C ATOM 261 CG LEU A 37 12.370 14.974 -4.105 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.067 14.445 -5.355 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.587 13.955 -2.993 1.00 0.00 C ATOM 0 H LEU A 37 14.537 16.643 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 37 11.865 17.534 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.899 16.213 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.281 16.594 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 37 11.326 15.121 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.639 13.481 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.929 15.150 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.132 14.326 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.244 12.975 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.648 13.904 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.024 14.255 -2.109 1.00 0.00 H new ATOM 275 N HIS A 38 14.125 19.224 -3.344 1.00 0.00 N ATOM 276 CA HIS A 38 14.411 20.462 -2.610 1.00 0.00 C ATOM 277 C HIS A 38 14.317 21.707 -3.493 1.00 0.00 C ATOM 278 O HIS A 38 13.720 22.693 -3.063 1.00 0.00 O ATOM 279 CB HIS A 38 15.771 20.322 -1.907 1.00 0.00 C ATOM 280 CG HIS A 38 15.688 19.594 -0.580 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.625 19.685 0.454 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.630 18.848 -0.142 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.104 18.999 1.488 1.00 0.00 C ATOM 284 NE2 HIS A 38 14.904 18.490 1.159 1.00 0.00 N ATOM 0 H HIS A 38 14.953 18.645 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 38 13.643 20.610 -1.851 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.458 19.789 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.192 21.314 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.748 18.589 -0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.583 18.875 2.448 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.302 17.935 1.767 1.00 0.00 H new ATOM 292 N ALA A 39 14.757 21.638 -4.753 1.00 0.00 N ATOM 293 CA ALA A 39 14.582 22.707 -5.737 1.00 0.00 C ATOM 294 C ALA A 39 13.101 23.019 -6.011 1.00 0.00 C ATOM 295 O ALA A 39 12.771 24.145 -6.392 1.00 0.00 O ATOM 296 CB ALA A 39 15.327 22.324 -7.019 1.00 0.00 C ATOM 0 H ALA A 39 15.252 20.826 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 39 15.004 23.627 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.204 23.113 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.387 22.194 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.921 21.391 -7.411 1.00 0.00 H new ATOM 302 N ALA A 40 12.208 22.054 -5.762 1.00 0.00 N ATOM 303 CA ALA A 40 10.770 22.277 -5.783 1.00 0.00 C ATOM 304 C ALA A 40 10.189 22.801 -4.453 1.00 0.00 C ATOM 305 O ALA A 40 9.099 23.375 -4.467 1.00 0.00 O ATOM 306 CB ALA A 40 10.071 20.985 -6.207 1.00 0.00 C ATOM 0 H ALA A 40 12.471 21.094 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 40 10.584 23.072 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.993 21.144 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.412 20.696 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.309 20.193 -5.497 1.00 0.00 H new ATOM 312 N GLY A 41 10.868 22.586 -3.318 1.00 0.00 N ATOM 313 CA GLY A 41 10.369 22.892 -1.972 1.00 0.00 C ATOM 314 C GLY A 41 9.639 21.702 -1.337 1.00 0.00 C ATOM 315 O GLY A 41 8.409 21.700 -1.243 1.00 0.00 O ATOM 0 H GLY A 41 11.805 22.183 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.204 23.185 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.692 23.745 -2.023 1.00 0.00 H new ATOM 319 N ALA A 42 10.399 20.687 -0.912 1.00 0.00 N ATOM 320 CA ALA A 42 9.882 19.520 -0.190 1.00 0.00 C ATOM 321 C ALA A 42 9.589 19.811 1.297 1.00 0.00 C ATOM 322 O ALA A 42 10.115 20.766 1.876 1.00 0.00 O ATOM 323 CB ALA A 42 10.850 18.347 -0.370 1.00 0.00 C ATOM 0 H ALA A 42 11.407 20.653 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 42 8.916 19.255 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.470 17.477 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.941 18.110 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.828 18.618 0.027 1.00 0.00 H new ATOM 329 N GLN A 43 8.776 18.959 1.934 1.00 0.00 N ATOM 330 CA GLN A 43 8.303 19.126 3.321 1.00 0.00 C ATOM 331 C GLN A 43 9.181 18.383 4.358 1.00 0.00 C ATOM 332 O GLN A 43 8.701 17.935 5.403 1.00 0.00 O ATOM 333 CB GLN A 43 6.802 18.774 3.380 1.00 0.00 C ATOM 334 CG GLN A 43 6.054 19.485 4.521 1.00 0.00 C ATOM 335 CD GLN A 43 4.569 19.127 4.533 1.00 0.00 C ATOM 336 OE1 GLN A 43 3.718 19.858 4.039 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.192 17.992 5.087 1.00 0.00 N ATOM 0 H GLN A 43 8.418 18.113 1.492 1.00 0.00 H new ATOM 0 HA GLN A 43 8.411 20.170 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.337 19.038 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.693 17.696 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.502 19.211 5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.167 20.564 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.887 17.372 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.205 17.734 5.100 1.00 0.00 H new ATOM 346 N GLY A 44 10.474 18.218 4.057 1.00 0.00 N ATOM 347 CA GLY A 44 11.445 17.488 4.883 1.00 0.00 C ATOM 348 C GLY A 44 12.601 16.891 4.077 1.00 0.00 C ATOM 349 O GLY A 44 12.917 17.344 2.974 1.00 0.00 O ATOM 0 H GLY A 44 10.887 18.600 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.849 18.163 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.930 16.687 5.414 1.00 0.00 H new ATOM 353 N GLU A 45 13.217 15.846 4.632 1.00 0.00 N ATOM 354 CA GLU A 45 14.229 15.011 3.959 1.00 0.00 C ATOM 355 C GLU A 45 13.866 13.512 3.911 1.00 0.00 C ATOM 356 O GLU A 45 14.489 12.765 3.164 1.00 0.00 O ATOM 357 CB GLU A 45 15.583 15.189 4.661 1.00 0.00 C ATOM 358 CG GLU A 45 16.237 16.555 4.434 1.00 0.00 C ATOM 359 CD GLU A 45 17.578 16.657 5.193 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.462 15.783 5.012 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.761 17.621 5.977 1.00 0.00 O ATOM 0 H GLU A 45 13.025 15.544 5.587 1.00 0.00 H new ATOM 0 HA GLU A 45 14.276 15.350 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.446 15.038 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.264 14.411 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.405 16.710 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.564 17.345 4.768 1.00 0.00 H new ATOM 368 N MET A 46 12.871 13.064 4.685 1.00 0.00 N ATOM 369 CA MET A 46 12.466 11.658 4.858 1.00 0.00 C ATOM 370 C MET A 46 11.012 11.491 4.393 1.00 0.00 C ATOM 371 O MET A 46 10.117 12.091 4.986 1.00 0.00 O ATOM 372 CB MET A 46 12.580 11.279 6.345 1.00 0.00 C ATOM 373 CG MET A 46 14.001 10.901 6.788 1.00 0.00 C ATOM 374 SD MET A 46 15.230 12.236 6.894 1.00 0.00 S ATOM 375 CE MET A 46 14.543 13.222 8.255 1.00 0.00 C ATOM 0 H MET A 46 12.296 13.701 5.236 1.00 0.00 H new ATOM 0 HA MET A 46 13.113 11.010 4.267 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.233 12.117 6.950 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.913 10.441 6.548 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.933 10.428 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.380 10.149 6.096 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.269 13.976 8.561 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.628 13.713 7.923 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.319 12.570 9.099 1.00 0.00 H new ATOM 385 N PHE A 47 10.759 10.695 3.347 1.00 0.00 N ATOM 386 CA PHE A 47 9.416 10.564 2.746 1.00 0.00 C ATOM 387 C PHE A 47 9.163 9.213 2.048 1.00 0.00 C ATOM 388 O PHE A 47 10.085 8.463 1.726 1.00 0.00 O ATOM 389 CB PHE A 47 9.127 11.710 1.751 1.00 0.00 C ATOM 390 CG PHE A 47 10.191 12.771 1.563 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.458 12.415 1.068 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.906 14.115 1.866 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.422 13.407 0.851 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.863 15.112 1.612 1.00 0.00 C ATOM 395 CZ PHE A 47 12.119 14.759 1.091 1.00 0.00 C ATOM 0 H PHE A 47 11.472 10.124 2.892 1.00 0.00 H new ATOM 0 HA PHE A 47 8.731 10.620 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.924 11.264 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.212 12.208 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.687 11.381 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.951 14.381 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.405 13.132 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.634 16.147 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.850 15.524 0.875 1.00 0.00 H new ATOM 405 N THR A 48 7.887 8.918 1.797 1.00 0.00 N ATOM 406 CA THR A 48 7.398 7.786 0.979 1.00 0.00 C ATOM 407 C THR A 48 7.460 8.075 -0.524 1.00 0.00 C ATOM 408 O THR A 48 7.556 9.227 -0.930 1.00 0.00 O ATOM 409 CB THR A 48 5.950 7.428 1.364 1.00 0.00 C ATOM 410 OG1 THR A 48 5.130 8.563 1.326 1.00 0.00 O ATOM 411 CG2 THR A 48 5.825 6.803 2.745 1.00 0.00 C ATOM 0 H THR A 48 7.124 9.482 2.171 1.00 0.00 H new ATOM 0 HA THR A 48 8.061 6.946 1.187 1.00 0.00 H new ATOM 0 HB THR A 48 5.632 6.690 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.255 9.085 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.778 6.577 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.409 5.883 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.198 7.500 3.495 1.00 0.00 H new ATOM 419 N VAL A 49 7.325 7.035 -1.362 1.00 0.00 N ATOM 420 CA VAL A 49 7.268 7.080 -2.841 1.00 0.00 C ATOM 421 C VAL A 49 6.245 8.120 -3.305 1.00 0.00 C ATOM 422 O VAL A 49 6.539 8.964 -4.155 1.00 0.00 O ATOM 423 CB VAL A 49 6.935 5.682 -3.412 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.649 5.696 -4.919 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.107 4.719 -3.172 1.00 0.00 C ATOM 0 H VAL A 49 7.248 6.081 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 49 8.247 7.375 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 49 6.034 5.356 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.423 4.684 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.797 6.345 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.524 6.069 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.861 3.738 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.000 5.103 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.293 4.632 -2.102 1.00 0.00 H new ATOM 435 N LYS A 50 5.065 8.101 -2.672 1.00 0.00 N ATOM 436 CA LYS A 50 3.928 8.949 -3.012 1.00 0.00 C ATOM 437 C LYS A 50 4.158 10.427 -2.664 1.00 0.00 C ATOM 438 O LYS A 50 3.664 11.311 -3.361 1.00 0.00 O ATOM 439 CB LYS A 50 2.692 8.307 -2.365 1.00 0.00 C ATOM 440 CG LYS A 50 2.554 8.573 -0.861 1.00 0.00 C ATOM 441 CD LYS A 50 1.395 7.799 -0.226 1.00 0.00 C ATOM 442 CE LYS A 50 1.391 8.057 1.287 1.00 0.00 C ATOM 443 NZ LYS A 50 0.296 7.315 1.970 1.00 0.00 N ATOM 0 H LYS A 50 4.875 7.476 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 50 3.776 8.994 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.799 8.676 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.729 7.230 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.484 8.301 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.405 9.640 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.448 8.113 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.500 6.733 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.351 7.759 1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.278 9.125 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.325 7.514 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.621 7.617 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.418 6.294 1.813 1.00 0.00 H new ATOM 457 N GLU A 51 4.953 10.692 -1.625 1.00 0.00 N ATOM 458 CA GLU A 51 5.427 12.032 -1.264 1.00 0.00 C ATOM 459 C GLU A 51 6.574 12.485 -2.180 1.00 0.00 C ATOM 460 O GLU A 51 6.482 13.560 -2.769 1.00 0.00 O ATOM 461 CB GLU A 51 5.865 12.052 0.208 1.00 0.00 C ATOM 462 CG GLU A 51 4.696 11.860 1.181 1.00 0.00 C ATOM 463 CD GLU A 51 5.205 11.648 2.620 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.850 10.601 2.881 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.943 12.514 3.491 1.00 0.00 O ATOM 0 H GLU A 51 5.294 9.965 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 51 4.605 12.735 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.602 11.266 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.358 13.000 0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.043 12.732 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.098 11.002 0.873 1.00 0.00 H new ATOM 472 N VAL A 52 7.623 11.667 -2.375 1.00 0.00 N ATOM 473 CA VAL A 52 8.784 12.045 -3.201 1.00 0.00 C ATOM 474 C VAL A 52 8.398 12.405 -4.631 1.00 0.00 C ATOM 475 O VAL A 52 8.799 13.449 -5.146 1.00 0.00 O ATOM 476 CB VAL A 52 9.908 10.997 -3.222 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.600 10.901 -1.863 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.577 9.590 -3.675 1.00 0.00 C ATOM 0 H VAL A 52 7.691 10.734 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 52 9.176 12.933 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 52 10.552 11.398 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.390 10.152 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.032 11.868 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.872 10.615 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.475 8.973 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.815 9.167 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.202 9.616 -4.698 1.00 0.00 H new ATOM 488 N MET A 53 7.574 11.564 -5.255 1.00 0.00 N ATOM 489 CA MET A 53 7.074 11.809 -6.611 1.00 0.00 C ATOM 490 C MET A 53 6.187 13.065 -6.720 1.00 0.00 C ATOM 491 O MET A 53 6.203 13.718 -7.760 1.00 0.00 O ATOM 492 CB MET A 53 6.397 10.550 -7.175 1.00 0.00 C ATOM 493 CG MET A 53 4.972 10.318 -6.658 1.00 0.00 C ATOM 494 SD MET A 53 4.265 8.701 -7.079 1.00 0.00 S ATOM 495 CE MET A 53 4.363 8.751 -8.891 1.00 0.00 C ATOM 0 H MET A 53 7.234 10.697 -4.839 1.00 0.00 H new ATOM 0 HA MET A 53 7.939 12.029 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.370 10.622 -8.262 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.007 9.681 -6.928 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.971 10.428 -5.574 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.324 11.098 -7.058 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.750 7.953 -9.311 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.999 9.714 -9.249 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.399 8.616 -9.203 1.00 0.00 H new ATOM 505 N HIS A 54 5.478 13.477 -5.660 1.00 0.00 N ATOM 506 CA HIS A 54 4.664 14.704 -5.688 1.00 0.00 C ATOM 507 C HIS A 54 5.531 15.952 -5.894 1.00 0.00 C ATOM 508 O HIS A 54 5.167 16.842 -6.665 1.00 0.00 O ATOM 509 CB HIS A 54 3.834 14.825 -4.403 1.00 0.00 C ATOM 510 CG HIS A 54 2.884 15.998 -4.430 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.622 16.009 -5.032 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.134 17.234 -3.905 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.141 17.253 -4.856 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.028 18.007 -4.183 1.00 0.00 N ATOM 0 H HIS A 54 5.451 12.979 -4.770 1.00 0.00 H new ATOM 0 HA HIS A 54 3.985 14.634 -6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.266 13.906 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.505 14.926 -3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.023 17.544 -3.376 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.179 17.597 -5.206 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.903 18.985 -3.923 1.00 0.00 H new ATOM 522 N TYR A 55 6.725 15.983 -5.291 1.00 0.00 N ATOM 523 CA TYR A 55 7.689 17.062 -5.523 1.00 0.00 C ATOM 524 C TYR A 55 8.243 17.059 -6.953 1.00 0.00 C ATOM 525 O TYR A 55 8.569 18.128 -7.455 1.00 0.00 O ATOM 526 CB TYR A 55 8.833 17.013 -4.505 1.00 0.00 C ATOM 527 CG TYR A 55 8.386 16.885 -3.063 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.530 17.845 -2.493 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.796 15.775 -2.305 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.044 17.668 -1.183 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.328 15.599 -0.991 1.00 0.00 C ATOM 532 CZ TYR A 55 7.444 16.545 -0.428 1.00 0.00 C ATOM 533 OH TYR A 55 7.001 16.411 0.852 1.00 0.00 O ATOM 0 H TYR A 55 7.047 15.270 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 55 7.143 17.996 -5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.482 16.171 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.433 17.918 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.245 18.719 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.475 15.053 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.365 18.392 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.644 14.743 -0.414 1.00 0.00 H new ATOM 0 HH TYR A 55 7.363 15.586 1.239 1.00 0.00 H new ATOM 543 N LEU A 56 8.296 15.915 -7.651 1.00 0.00 N ATOM 544 CA LEU A 56 8.631 15.887 -9.084 1.00 0.00 C ATOM 545 C LEU A 56 7.507 16.527 -9.906 1.00 0.00 C ATOM 546 O LEU A 56 7.770 17.399 -10.728 1.00 0.00 O ATOM 547 CB LEU A 56 8.890 14.455 -9.588 1.00 0.00 C ATOM 548 CG LEU A 56 9.889 13.619 -8.783 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.007 12.226 -9.389 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.286 14.232 -8.718 1.00 0.00 C ATOM 0 H LEU A 56 8.111 14.997 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 56 9.550 16.459 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.939 13.923 -9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.245 14.514 -10.617 1.00 0.00 H new ATOM 0 HG LEU A 56 9.497 13.581 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.719 11.637 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.033 11.737 -9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.353 12.306 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.940 13.586 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.686 14.334 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.231 15.214 -8.248 1.00 0.00 H new ATOM 562 N GLY A 57 6.252 16.163 -9.632 1.00 0.00 N ATOM 563 CA GLY A 57 5.083 16.758 -10.282 1.00 0.00 C ATOM 564 C GLY A 57 5.018 18.280 -10.114 1.00 0.00 C ATOM 565 O GLY A 57 4.913 19.015 -11.102 1.00 0.00 O ATOM 0 H GLY A 57 6.017 15.443 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.101 16.515 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.178 16.313 -9.869 1.00 0.00 H new ATOM 569 N GLN A 58 5.215 18.774 -8.883 1.00 0.00 N ATOM 570 CA GLN A 58 5.269 20.215 -8.615 1.00 0.00 C ATOM 571 C GLN A 58 6.514 20.873 -9.231 1.00 0.00 C ATOM 572 O GLN A 58 6.405 21.989 -9.736 1.00 0.00 O ATOM 573 CB GLN A 58 5.097 20.508 -7.109 1.00 0.00 C ATOM 574 CG GLN A 58 6.404 20.755 -6.330 1.00 0.00 C ATOM 575 CD GLN A 58 6.206 20.786 -4.808 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.346 20.127 -4.239 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.021 21.513 -4.075 1.00 0.00 N ATOM 0 H GLN A 58 5.340 18.192 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 58 4.422 20.682 -9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.456 21.383 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.574 19.669 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.121 19.974 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.838 21.701 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.747 22.072 -4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.927 21.517 -3.059 1.00 0.00 H new ATOM 586 N TYR A 59 7.672 20.191 -9.252 1.00 0.00 N ATOM 587 CA TYR A 59 8.889 20.689 -9.893 1.00 0.00 C ATOM 588 C TYR A 59 8.638 20.915 -11.387 1.00 0.00 C ATOM 589 O TYR A 59 8.924 21.985 -11.904 1.00 0.00 O ATOM 590 CB TYR A 59 10.054 19.704 -9.706 1.00 0.00 C ATOM 591 CG TYR A 59 11.374 20.131 -10.316 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.620 19.867 -11.676 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.370 20.743 -9.528 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.878 20.150 -12.241 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.622 21.040 -10.097 1.00 0.00 C ATOM 596 CZ TYR A 59 13.889 20.719 -11.441 1.00 0.00 C ATOM 597 OH TYR A 59 15.106 21.017 -11.958 1.00 0.00 O ATOM 0 H TYR A 59 7.785 19.274 -8.820 1.00 0.00 H new ATOM 0 HA TYR A 59 9.159 21.634 -9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.202 19.543 -8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.768 18.744 -10.137 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.839 19.445 -12.290 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.173 20.982 -8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.067 19.932 -13.282 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.383 21.518 -9.498 1.00 0.00 H new ATOM 0 HH TYR A 59 15.363 20.330 -12.608 1.00 0.00 H new ATOM 607 N ILE A 60 8.040 19.947 -12.086 1.00 0.00 N ATOM 608 CA ILE A 60 7.721 20.077 -13.516 1.00 0.00 C ATOM 609 C ILE A 60 6.712 21.209 -13.731 1.00 0.00 C ATOM 610 O ILE A 60 6.892 22.023 -14.634 1.00 0.00 O ATOM 611 CB ILE A 60 7.182 18.746 -14.078 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.173 17.578 -13.903 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.872 18.883 -15.577 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.448 16.238 -13.751 1.00 0.00 C ATOM 0 H ILE A 60 7.763 19.053 -11.681 1.00 0.00 H new ATOM 0 HA ILE A 60 8.635 20.322 -14.056 1.00 0.00 H new ATOM 0 HB ILE A 60 6.279 18.524 -13.510 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.840 17.535 -14.764 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.795 17.757 -13.026 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.493 17.935 -15.958 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.121 19.660 -15.724 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.782 19.152 -16.114 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.180 15.440 -13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.800 16.272 -12.875 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.847 16.047 -14.640 1.00 0.00 H new ATOM 626 N MET A 61 5.683 21.304 -12.884 1.00 0.00 N ATOM 627 CA MET A 61 4.662 22.351 -12.988 1.00 0.00 C ATOM 628 C MET A 61 5.252 23.767 -12.829 1.00 0.00 C ATOM 629 O MET A 61 4.894 24.663 -13.595 1.00 0.00 O ATOM 630 CB MET A 61 3.557 22.066 -11.956 1.00 0.00 C ATOM 631 CG MET A 61 2.314 22.936 -12.170 1.00 0.00 C ATOM 632 SD MET A 61 1.467 22.662 -13.754 1.00 0.00 S ATOM 633 CE MET A 61 1.348 24.373 -14.336 1.00 0.00 C ATOM 0 H MET A 61 5.534 20.659 -12.108 1.00 0.00 H new ATOM 0 HA MET A 61 4.234 22.329 -13.990 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.274 21.015 -12.012 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.948 22.238 -10.953 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.610 22.748 -11.359 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.604 23.985 -12.104 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.850 24.394 -15.305 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.774 24.962 -13.620 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.348 24.795 -14.433 1.00 0.00 H new ATOM 643 N VAL A 62 6.201 23.974 -11.902 1.00 0.00 N ATOM 644 CA VAL A 62 6.894 25.269 -11.727 1.00 0.00 C ATOM 645 C VAL A 62 7.957 25.514 -12.808 1.00 0.00 C ATOM 646 O VAL A 62 8.035 26.606 -13.370 1.00 0.00 O ATOM 647 CB VAL A 62 7.434 25.426 -10.288 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.631 24.549 -9.919 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.860 26.861 -9.995 1.00 0.00 C ATOM 0 H VAL A 62 6.512 23.252 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 62 6.157 26.059 -11.867 1.00 0.00 H new ATOM 0 HB VAL A 62 6.580 25.107 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.922 24.745 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.359 23.499 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.467 24.777 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.233 26.928 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.647 27.156 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.004 27.526 -10.113 1.00 0.00 H new ATOM 659 N LYS A 63 8.729 24.483 -13.171 1.00 0.00 N ATOM 660 CA LYS A 63 9.775 24.524 -14.215 1.00 0.00 C ATOM 661 C LYS A 63 9.257 24.431 -15.665 1.00 0.00 C ATOM 662 O LYS A 63 10.067 24.561 -16.580 1.00 0.00 O ATOM 663 CB LYS A 63 10.825 23.425 -13.961 1.00 0.00 C ATOM 664 CG LYS A 63 11.605 23.545 -12.644 1.00 0.00 C ATOM 665 CD LYS A 63 12.417 24.837 -12.494 1.00 0.00 C ATOM 666 CE LYS A 63 13.388 24.714 -11.309 1.00 0.00 C ATOM 667 NZ LYS A 63 14.674 24.059 -11.698 1.00 0.00 N ATOM 0 H LYS A 63 8.645 23.564 -12.735 1.00 0.00 H new ATOM 0 HA LYS A 63 10.222 25.514 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.324 22.457 -13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.537 23.430 -14.786 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.902 23.476 -11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.282 22.695 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.972 25.035 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.746 25.682 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.595 25.706 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.916 24.139 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.420 24.333 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.556 23.026 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.942 24.362 -12.656 1.00 0.00 H new ATOM 681 N GLN A 64 7.951 24.191 -15.879 1.00 0.00 N ATOM 682 CA GLN A 64 7.262 23.864 -17.139 1.00 0.00 C ATOM 683 C GLN A 64 8.113 22.997 -18.072 1.00 0.00 C ATOM 684 O GLN A 64 8.422 23.371 -19.206 1.00 0.00 O ATOM 685 CB GLN A 64 6.590 25.086 -17.784 1.00 0.00 C ATOM 686 CG GLN A 64 7.557 26.229 -18.105 1.00 0.00 C ATOM 687 CD GLN A 64 7.168 27.520 -17.391 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.719 28.490 -17.990 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.300 27.578 -16.080 1.00 0.00 N ATOM 0 H GLN A 64 7.291 24.224 -15.102 1.00 0.00 H new ATOM 0 HA GLN A 64 6.421 23.216 -16.890 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.095 24.773 -18.703 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.814 25.457 -17.115 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.567 25.943 -17.813 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.573 26.400 -19.181 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.672 26.778 -15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.030 28.423 -15.577 1.00 0.00 H new ATOM 698 N LEU A 65 8.490 21.813 -17.571 1.00 0.00 N ATOM 699 CA LEU A 65 9.300 20.842 -18.301 1.00 0.00 C ATOM 700 C LEU A 65 8.394 19.860 -19.049 1.00 0.00 C ATOM 701 O LEU A 65 8.651 18.663 -19.071 1.00 0.00 O ATOM 702 CB LEU A 65 10.349 20.157 -17.393 1.00 0.00 C ATOM 703 CG LEU A 65 11.450 21.065 -16.826 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.421 20.218 -16.008 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.249 21.804 -17.899 1.00 0.00 C ATOM 0 H LEU A 65 8.235 21.503 -16.633 1.00 0.00 H new ATOM 0 HA LEU A 65 9.888 21.368 -19.053 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.827 19.689 -16.558 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.823 19.357 -17.961 1.00 0.00 H new ATOM 0 HG LEU A 65 10.948 21.818 -16.218 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.206 20.855 -15.602 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.884 19.737 -15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.867 19.456 -16.647 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.008 22.426 -17.424 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.732 21.081 -18.556 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.578 22.434 -18.483 1.00 0.00 H new ATOM 717 N TYR A 66 7.290 20.353 -19.608 1.00 0.00 N ATOM 718 CA TYR A 66 6.354 19.568 -20.416 1.00 0.00 C ATOM 719 C TYR A 66 6.225 20.073 -21.865 1.00 0.00 C ATOM 720 O TYR A 66 6.682 21.167 -22.207 1.00 0.00 O ATOM 721 CB TYR A 66 4.999 19.462 -19.710 1.00 0.00 C ATOM 722 CG TYR A 66 4.442 20.777 -19.205 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.058 21.786 -20.105 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.349 20.996 -17.822 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.592 23.023 -19.625 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.883 22.233 -17.329 1.00 0.00 C ATOM 727 CZ TYR A 66 3.502 23.251 -18.234 1.00 0.00 C ATOM 728 OH TYR A 66 3.056 24.455 -17.781 1.00 0.00 O ATOM 0 H TYR A 66 7.014 21.330 -19.511 1.00 0.00 H new ATOM 0 HA TYR A 66 6.770 18.565 -20.506 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.280 19.019 -20.399 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.096 18.777 -18.868 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.121 21.611 -21.169 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.635 20.215 -17.133 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.303 23.798 -20.319 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.817 22.402 -16.264 1.00 0.00 H new ATOM 0 HH TYR A 66 3.051 24.454 -16.801 1.00 0.00 H new ATOM 738 N ASP A 67 5.585 19.279 -22.728 1.00 0.00 N ATOM 739 CA ASP A 67 5.264 19.662 -24.108 1.00 0.00 C ATOM 740 C ASP A 67 4.146 20.725 -24.178 1.00 0.00 C ATOM 741 O ASP A 67 3.225 20.727 -23.358 1.00 0.00 O ATOM 742 CB ASP A 67 4.860 18.416 -24.903 1.00 0.00 C ATOM 743 CG ASP A 67 4.921 18.684 -26.411 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.901 19.147 -26.969 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.998 18.486 -27.022 1.00 0.00 O ATOM 0 H ASP A 67 5.271 18.339 -22.486 1.00 0.00 H new ATOM 0 HA ASP A 67 6.157 20.110 -24.545 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.522 17.588 -24.650 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.851 18.114 -24.624 1.00 0.00 H new ATOM 750 N GLN A 68 4.189 21.612 -25.180 1.00 0.00 N ATOM 751 CA GLN A 68 3.171 22.658 -25.375 1.00 0.00 C ATOM 752 C GLN A 68 1.806 22.103 -25.822 1.00 0.00 C ATOM 753 O GLN A 68 0.760 22.574 -25.369 1.00 0.00 O ATOM 754 CB GLN A 68 3.597 23.773 -26.346 1.00 0.00 C ATOM 755 CG GLN A 68 4.920 23.626 -27.109 1.00 0.00 C ATOM 756 CD GLN A 68 4.774 22.658 -28.281 1.00 0.00 C ATOM 757 OE1 GLN A 68 3.926 22.820 -29.147 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.531 21.588 -28.334 1.00 0.00 N ATOM 0 H GLN A 68 4.930 21.627 -25.880 1.00 0.00 H new ATOM 0 HA GLN A 68 3.068 23.094 -24.381 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.803 23.889 -27.083 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.645 24.703 -25.779 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.242 24.601 -27.476 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.696 23.268 -26.432 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.245 21.433 -27.622 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.406 20.912 -29.087 1.00 0.00 H new ATOM 767 N GLN A 69 1.806 21.106 -26.710 1.00 0.00 N ATOM 768 CA GLN A 69 0.599 20.396 -27.139 1.00 0.00 C ATOM 769 C GLN A 69 0.074 19.422 -26.067 1.00 0.00 C ATOM 770 O GLN A 69 -1.127 19.156 -25.999 1.00 0.00 O ATOM 771 CB GLN A 69 0.866 19.611 -28.433 1.00 0.00 C ATOM 772 CG GLN A 69 1.386 20.449 -29.607 1.00 0.00 C ATOM 773 CD GLN A 69 0.549 21.699 -29.871 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.616 21.644 -30.246 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.105 22.873 -29.660 1.00 0.00 N ATOM 0 H GLN A 69 2.657 20.765 -27.157 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.162 21.158 -27.309 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.590 18.825 -28.220 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.058 19.120 -28.739 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.416 20.745 -29.406 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.401 19.833 -30.506 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.074 22.929 -29.348 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.567 23.726 -29.809 1.00 0.00 H new ATOM 784 N GLU A 70 0.977 18.885 -25.239 1.00 0.00 N ATOM 785 CA GLU A 70 0.705 17.780 -24.301 1.00 0.00 C ATOM 786 C GLU A 70 1.353 17.984 -22.917 1.00 0.00 C ATOM 787 O GLU A 70 2.440 17.487 -22.633 1.00 0.00 O ATOM 788 CB GLU A 70 1.154 16.444 -24.930 1.00 0.00 C ATOM 789 CG GLU A 70 0.246 15.998 -26.084 1.00 0.00 C ATOM 790 CD GLU A 70 0.519 14.530 -26.462 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.061 13.624 -25.813 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.299 14.272 -27.412 1.00 0.00 O ATOM 0 H GLU A 70 1.942 19.212 -25.198 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.371 17.761 -24.126 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.176 16.544 -25.295 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.165 15.671 -24.162 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.799 16.115 -25.796 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.412 16.638 -26.951 1.00 0.00 H new ATOM 799 N GLN A 71 0.657 18.675 -22.011 1.00 0.00 N ATOM 800 CA GLN A 71 1.145 19.007 -20.663 1.00 0.00 C ATOM 801 C GLN A 71 1.463 17.785 -19.776 1.00 0.00 C ATOM 802 O GLN A 71 2.286 17.868 -18.864 1.00 0.00 O ATOM 803 CB GLN A 71 0.071 19.864 -19.986 1.00 0.00 C ATOM 804 CG GLN A 71 0.171 21.358 -20.325 1.00 0.00 C ATOM 805 CD GLN A 71 -0.245 21.727 -21.748 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.369 22.139 -22.006 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.620 21.607 -22.731 1.00 0.00 N ATOM 0 H GLN A 71 -0.282 19.029 -22.194 1.00 0.00 H new ATOM 0 HA GLN A 71 2.093 19.532 -20.779 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.913 19.498 -20.281 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.147 19.739 -18.906 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.450 21.916 -19.625 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.200 21.683 -20.168 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.563 21.266 -22.542 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.348 21.855 -23.682 1.00 0.00 H new ATOM 816 N HIS A 72 0.826 16.643 -20.040 1.00 0.00 N ATOM 817 CA HIS A 72 1.082 15.354 -19.389 1.00 0.00 C ATOM 818 C HIS A 72 2.318 14.615 -19.944 1.00 0.00 C ATOM 819 O HIS A 72 2.787 13.661 -19.322 1.00 0.00 O ATOM 820 CB HIS A 72 -0.186 14.501 -19.547 1.00 0.00 C ATOM 821 CG HIS A 72 -0.699 14.485 -20.960 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.540 15.451 -21.513 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.241 13.671 -21.950 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.577 15.199 -22.827 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.819 14.125 -23.119 1.00 0.00 N ATOM 0 H HIS A 72 0.087 16.587 -20.741 1.00 0.00 H new ATOM 0 HA HIS A 72 1.313 15.534 -18.339 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.025 13.480 -19.229 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.963 14.886 -18.886 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.438 12.838 -21.843 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.135 15.775 -23.550 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.693 13.717 -24.045 1.00 0.00 H new ATOM 833 N MET A 73 2.856 15.041 -21.091 1.00 0.00 N ATOM 834 CA MET A 73 4.112 14.546 -21.661 1.00 0.00 C ATOM 835 C MET A 73 5.267 15.439 -21.192 1.00 0.00 C ATOM 836 O MET A 73 5.275 16.649 -21.430 1.00 0.00 O ATOM 837 CB MET A 73 4.007 14.483 -23.193 1.00 0.00 C ATOM 838 CG MET A 73 5.259 13.870 -23.827 1.00 0.00 C ATOM 839 SD MET A 73 5.587 12.153 -23.347 1.00 0.00 S ATOM 840 CE MET A 73 7.218 11.953 -24.104 1.00 0.00 C ATOM 0 H MET A 73 2.417 15.761 -21.665 1.00 0.00 H new ATOM 0 HA MET A 73 4.311 13.532 -21.313 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.133 13.895 -23.473 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.855 15.487 -23.588 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.161 13.917 -24.912 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.122 14.479 -23.558 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.700 11.063 -23.700 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.108 11.847 -25.183 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.830 12.828 -23.886 1.00 0.00 H new ATOM 850 N VAL A 74 6.248 14.845 -20.517 1.00 0.00 N ATOM 851 CA VAL A 74 7.317 15.555 -19.801 1.00 0.00 C ATOM 852 C VAL A 74 8.642 15.443 -20.583 1.00 0.00 C ATOM 853 O VAL A 74 8.985 14.371 -21.088 1.00 0.00 O ATOM 854 CB VAL A 74 7.457 14.989 -18.373 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.334 15.913 -17.529 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.108 14.861 -17.642 1.00 0.00 C ATOM 0 H VAL A 74 6.328 13.830 -20.448 1.00 0.00 H new ATOM 0 HA VAL A 74 7.062 16.612 -19.723 1.00 0.00 H new ATOM 0 HB VAL A 74 7.896 13.998 -18.486 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.428 15.506 -16.522 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.322 15.991 -17.982 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.878 16.902 -17.480 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.272 14.457 -16.643 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.642 15.843 -17.564 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.454 14.192 -18.200 1.00 0.00 H new ATOM 866 N TYR A 75 9.396 16.543 -20.663 1.00 0.00 N ATOM 867 CA TYR A 75 10.666 16.706 -21.382 1.00 0.00 C ATOM 868 C TYR A 75 11.719 17.415 -20.503 1.00 0.00 C ATOM 869 O TYR A 75 11.671 18.629 -20.298 1.00 0.00 O ATOM 870 CB TYR A 75 10.412 17.481 -22.682 1.00 0.00 C ATOM 871 CG TYR A 75 9.851 16.592 -23.770 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.686 15.610 -24.333 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.510 16.705 -24.186 1.00 0.00 C ATOM 874 CE1 TYR A 75 10.184 14.729 -25.305 1.00 0.00 C ATOM 875 CE2 TYR A 75 8.012 15.837 -25.177 1.00 0.00 C ATOM 876 CZ TYR A 75 8.845 14.846 -25.740 1.00 0.00 C ATOM 877 OH TYR A 75 8.351 14.012 -26.698 1.00 0.00 O ATOM 0 H TYR A 75 9.117 17.405 -20.194 1.00 0.00 H new ATOM 0 HA TYR A 75 11.068 15.723 -21.626 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.718 18.298 -22.487 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.344 17.930 -23.025 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.716 15.533 -24.017 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.867 17.454 -23.747 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.822 13.962 -25.720 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.988 15.930 -25.508 1.00 0.00 H new ATOM 0 HH TYR A 75 7.413 14.235 -26.873 1.00 0.00 H new ATOM 887 N CYS A 76 12.688 16.645 -20.002 1.00 0.00 N ATOM 888 CA CYS A 76 13.700 17.025 -19.006 1.00 0.00 C ATOM 889 C CYS A 76 15.147 17.028 -19.535 1.00 0.00 C ATOM 890 O CYS A 76 16.085 17.026 -18.736 1.00 0.00 O ATOM 891 CB CYS A 76 13.580 16.088 -17.791 1.00 0.00 C ATOM 892 SG CYS A 76 11.878 15.999 -17.185 1.00 0.00 S ATOM 0 H CYS A 76 12.796 15.675 -20.299 1.00 0.00 H new ATOM 0 HA CYS A 76 13.494 18.059 -18.729 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.922 15.090 -18.065 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.233 16.441 -16.993 1.00 0.00 H new ATOM 0 HG CYS A 76 11.823 15.197 -16.163 1.00 0.00 H new ATOM 898 N GLY A 77 15.356 16.981 -20.856 1.00 0.00 N ATOM 899 CA GLY A 77 16.691 16.894 -21.466 1.00 0.00 C ATOM 900 C GLY A 77 17.637 18.012 -20.996 1.00 0.00 C ATOM 901 O GLY A 77 17.362 19.197 -21.202 1.00 0.00 O ATOM 0 H GLY A 77 14.598 17.002 -21.538 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.132 15.927 -21.226 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.593 16.940 -22.551 1.00 0.00 H new ATOM 905 N GLY A 78 18.742 17.629 -20.346 1.00 0.00 N ATOM 906 CA GLY A 78 19.745 18.544 -19.779 1.00 0.00 C ATOM 907 C GLY A 78 19.411 19.143 -18.399 1.00 0.00 C ATOM 908 O GLY A 78 20.206 19.930 -17.880 1.00 0.00 O ATOM 0 H GLY A 78 18.972 16.647 -20.195 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.692 18.010 -19.701 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.898 19.364 -20.481 1.00 0.00 H new ATOM 912 N ASP A 79 18.274 18.792 -17.786 1.00 0.00 N ATOM 913 CA ASP A 79 17.879 19.250 -16.442 1.00 0.00 C ATOM 914 C ASP A 79 18.338 18.286 -15.327 1.00 0.00 C ATOM 915 O ASP A 79 18.538 17.092 -15.566 1.00 0.00 O ATOM 916 CB ASP A 79 16.357 19.463 -16.391 1.00 0.00 C ATOM 917 CG ASP A 79 15.960 20.302 -15.171 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.087 21.547 -15.220 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.572 19.703 -14.143 1.00 0.00 O ATOM 0 H ASP A 79 17.588 18.171 -18.215 1.00 0.00 H new ATOM 0 HA ASP A 79 18.384 20.198 -16.256 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.025 19.960 -17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.852 18.498 -16.353 1.00 0.00 H new ATOM 924 N LEU A 80 18.433 18.777 -14.084 1.00 0.00 N ATOM 925 CA LEU A 80 18.656 17.943 -12.895 1.00 0.00 C ATOM 926 C LEU A 80 17.601 16.835 -12.765 1.00 0.00 C ATOM 927 O LEU A 80 17.953 15.687 -12.503 1.00 0.00 O ATOM 928 CB LEU A 80 18.644 18.824 -11.629 1.00 0.00 C ATOM 929 CG LEU A 80 19.956 18.760 -10.824 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.112 19.415 -11.585 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.786 19.533 -9.514 1.00 0.00 C ATOM 0 H LEU A 80 18.357 19.772 -13.874 1.00 0.00 H new ATOM 0 HA LEU A 80 19.629 17.464 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.454 19.858 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.818 18.515 -10.988 1.00 0.00 H new ATOM 0 HG LEU A 80 20.180 17.708 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.022 19.352 -10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.263 18.898 -12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.875 20.462 -11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.713 19.489 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.544 20.573 -9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.979 19.088 -8.931 1.00 0.00 H new ATOM 943 N LEU A 81 16.320 17.151 -12.993 1.00 0.00 N ATOM 944 CA LEU A 81 15.251 16.149 -13.049 1.00 0.00 C ATOM 945 C LEU A 81 15.530 15.036 -14.087 1.00 0.00 C ATOM 946 O LEU A 81 15.314 13.853 -13.813 1.00 0.00 O ATOM 947 CB LEU A 81 13.917 16.875 -13.325 1.00 0.00 C ATOM 948 CG LEU A 81 12.697 15.954 -13.522 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.327 15.180 -12.263 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.467 16.772 -13.888 1.00 0.00 C ATOM 0 H LEU A 81 15.997 18.107 -13.143 1.00 0.00 H new ATOM 0 HA LEU A 81 15.198 15.635 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.711 17.551 -12.495 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.035 17.491 -14.216 1.00 0.00 H new ATOM 0 HG LEU A 81 12.984 15.260 -14.312 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.461 14.550 -12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.167 14.556 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.087 15.880 -11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.615 16.106 -14.024 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.250 17.481 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.654 17.315 -14.814 1.00 0.00 H new ATOM 962 N GLY A 82 16.053 15.399 -15.262 1.00 0.00 N ATOM 963 CA GLY A 82 16.437 14.442 -16.307 1.00 0.00 C ATOM 964 C GLY A 82 17.640 13.581 -15.908 1.00 0.00 C ATOM 965 O GLY A 82 17.644 12.375 -16.155 1.00 0.00 O ATOM 0 H GLY A 82 16.223 16.372 -15.518 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.589 13.794 -16.529 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.672 14.985 -17.223 1.00 0.00 H new ATOM 969 N GLU A 83 18.624 14.158 -15.207 1.00 0.00 N ATOM 970 CA GLU A 83 19.756 13.414 -14.642 1.00 0.00 C ATOM 971 C GLU A 83 19.293 12.440 -13.541 1.00 0.00 C ATOM 972 O GLU A 83 19.763 11.301 -13.490 1.00 0.00 O ATOM 973 CB GLU A 83 20.869 14.391 -14.200 1.00 0.00 C ATOM 974 CG GLU A 83 21.285 14.327 -12.725 1.00 0.00 C ATOM 975 CD GLU A 83 22.578 15.130 -12.486 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.507 16.353 -12.220 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.684 14.539 -12.560 1.00 0.00 O ATOM 0 H GLU A 83 18.657 15.159 -15.015 1.00 0.00 H new ATOM 0 HA GLU A 83 20.196 12.780 -15.412 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.751 14.204 -14.812 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.539 15.407 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.485 14.723 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.437 13.289 -12.430 1.00 0.00 H new ATOM 984 N LEU A 84 18.324 12.850 -12.711 1.00 0.00 N ATOM 985 CA LEU A 84 17.668 11.995 -11.728 1.00 0.00 C ATOM 986 C LEU A 84 16.963 10.799 -12.381 1.00 0.00 C ATOM 987 O LEU A 84 17.075 9.675 -11.889 1.00 0.00 O ATOM 988 CB LEU A 84 16.744 12.890 -10.875 1.00 0.00 C ATOM 989 CG LEU A 84 15.653 12.185 -10.044 1.00 0.00 C ATOM 990 CD1 LEU A 84 15.202 13.102 -8.915 1.00 0.00 C ATOM 991 CD2 LEU A 84 14.386 11.882 -10.840 1.00 0.00 C ATOM 0 H LEU A 84 17.971 13.807 -12.709 1.00 0.00 H new ATOM 0 HA LEU A 84 18.401 11.529 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.368 13.467 -10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.255 13.602 -11.540 1.00 0.00 H new ATOM 0 HG LEU A 84 16.105 11.255 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.431 12.604 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.052 13.335 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.800 14.024 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.661 11.386 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.961 12.813 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.630 11.230 -11.679 1.00 0.00 H new ATOM 1003 N LEU A 85 16.269 11.031 -13.499 1.00 0.00 N ATOM 1004 CA LEU A 85 15.562 9.973 -14.231 1.00 0.00 C ATOM 1005 C LEU A 85 16.487 9.067 -15.064 1.00 0.00 C ATOM 1006 O LEU A 85 16.143 7.914 -15.325 1.00 0.00 O ATOM 1007 CB LEU A 85 14.470 10.612 -15.112 1.00 0.00 C ATOM 1008 CG LEU A 85 13.056 10.236 -14.644 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.046 11.050 -15.430 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.727 8.756 -14.863 1.00 0.00 C ATOM 0 H LEU A 85 16.181 11.955 -13.922 1.00 0.00 H new ATOM 0 HA LEU A 85 15.110 9.313 -13.490 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.580 11.696 -15.096 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.606 10.293 -16.145 1.00 0.00 H new ATOM 0 HG LEU A 85 13.012 10.441 -13.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.038 10.791 -15.106 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.221 12.112 -15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.152 10.833 -16.493 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.715 8.552 -14.513 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.797 8.521 -15.925 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.434 8.140 -14.307 1.00 0.00 H new ATOM 1022 N GLY A 86 17.632 9.587 -15.520 1.00 0.00 N ATOM 1023 CA GLY A 86 18.509 8.922 -16.495 1.00 0.00 C ATOM 1024 C GLY A 86 17.955 8.925 -17.931 1.00 0.00 C ATOM 1025 O GLY A 86 18.486 8.229 -18.801 1.00 0.00 O ATOM 0 H GLY A 86 17.982 10.496 -15.218 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.482 9.414 -16.490 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.671 7.891 -16.180 1.00 0.00 H new ATOM 1029 N ARG A 87 16.881 9.692 -18.176 1.00 0.00 N ATOM 1030 CA ARG A 87 16.185 9.864 -19.462 1.00 0.00 C ATOM 1031 C ARG A 87 15.605 11.268 -19.599 1.00 0.00 C ATOM 1032 O ARG A 87 15.184 11.883 -18.621 1.00 0.00 O ATOM 1033 CB ARG A 87 15.122 8.764 -19.667 1.00 0.00 C ATOM 1034 CG ARG A 87 14.041 8.690 -18.577 1.00 0.00 C ATOM 1035 CD ARG A 87 13.022 7.586 -18.879 1.00 0.00 C ATOM 1036 NE ARG A 87 13.625 6.239 -18.775 1.00 0.00 N ATOM 1037 CZ ARG A 87 13.301 5.162 -19.472 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.337 5.165 -20.349 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.941 4.044 -19.290 1.00 0.00 N ATOM 0 H ARG A 87 16.448 10.243 -17.435 1.00 0.00 H new ATOM 0 HA ARG A 87 16.917 9.752 -20.261 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.635 8.926 -20.629 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.626 7.799 -19.723 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.508 8.502 -17.610 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.530 9.650 -18.503 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.185 7.664 -18.185 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.619 7.728 -19.882 1.00 0.00 H new ATOM 0 HE ARG A 87 14.373 6.128 -18.090 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.803 6.018 -20.517 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.116 4.315 -20.867 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.697 3.994 -18.607 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.687 3.217 -19.830 1.00 0.00 H new ATOM 1053 N GLN A 88 15.559 11.746 -20.839 1.00 0.00 N ATOM 1054 CA GLN A 88 15.030 13.067 -21.196 1.00 0.00 C ATOM 1055 C GLN A 88 13.502 13.142 -21.209 1.00 0.00 C ATOM 1056 O GLN A 88 12.962 14.239 -21.276 1.00 0.00 O ATOM 1057 CB GLN A 88 15.603 13.494 -22.554 1.00 0.00 C ATOM 1058 CG GLN A 88 15.134 12.663 -23.762 1.00 0.00 C ATOM 1059 CD GLN A 88 15.721 13.193 -25.069 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.695 12.676 -25.604 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.167 14.250 -25.631 1.00 0.00 N ATOM 0 H GLN A 88 15.895 11.218 -21.644 1.00 0.00 H new ATOM 0 HA GLN A 88 15.348 13.756 -20.414 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.339 14.537 -22.728 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.691 13.445 -22.502 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.429 11.622 -23.625 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.046 12.682 -23.817 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.356 14.692 -25.198 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.550 14.626 -26.499 1.00 0.00 H new ATOM 1070 N SER A 89 12.801 12.010 -21.193 1.00 0.00 N ATOM 1071 CA SER A 89 11.326 12.009 -21.297 1.00 0.00 C ATOM 1072 C SER A 89 10.588 10.806 -20.693 1.00 0.00 C ATOM 1073 O SER A 89 11.128 9.706 -20.556 1.00 0.00 O ATOM 1074 CB SER A 89 10.905 12.175 -22.765 1.00 0.00 C ATOM 1075 OG SER A 89 11.410 11.114 -23.566 1.00 0.00 O ATOM 0 H SER A 89 13.218 11.083 -21.110 1.00 0.00 H new ATOM 0 HA SER A 89 11.022 12.855 -20.681 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.817 12.201 -22.834 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.271 13.128 -23.146 1.00 0.00 H new ATOM 0 HG SER A 89 11.127 11.242 -24.495 1.00 0.00 H new ATOM 1081 N PHE A 90 9.329 11.060 -20.318 1.00 0.00 N ATOM 1082 CA PHE A 90 8.324 10.145 -19.752 1.00 0.00 C ATOM 1083 C PHE A 90 6.935 10.828 -19.823 1.00 0.00 C ATOM 1084 O PHE A 90 6.834 12.010 -20.164 1.00 0.00 O ATOM 1085 CB PHE A 90 8.685 9.794 -18.298 1.00 0.00 C ATOM 1086 CG PHE A 90 8.634 10.948 -17.317 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.659 11.911 -17.310 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.579 11.043 -16.392 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.656 12.940 -16.355 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.575 12.074 -15.437 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.630 13.004 -15.395 1.00 0.00 C ATOM 0 H PHE A 90 8.949 12.002 -20.411 1.00 0.00 H new ATOM 0 HA PHE A 90 8.301 9.218 -20.324 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.006 9.015 -17.951 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.690 9.371 -18.283 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.451 11.859 -18.042 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.773 10.325 -16.416 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.441 13.682 -16.357 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.760 12.153 -14.733 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.652 13.764 -14.628 1.00 0.00 H new ATOM 1101 N SER A 91 5.861 10.118 -19.469 1.00 0.00 N ATOM 1102 CA SER A 91 4.495 10.666 -19.375 1.00 0.00 C ATOM 1103 C SER A 91 3.849 10.294 -18.042 1.00 0.00 C ATOM 1104 O SER A 91 4.134 9.229 -17.493 1.00 0.00 O ATOM 1105 CB SER A 91 3.648 10.145 -20.541 1.00 0.00 C ATOM 1106 OG SER A 91 2.291 10.542 -20.400 1.00 0.00 O ATOM 0 H SER A 91 5.912 9.127 -19.234 1.00 0.00 H new ATOM 0 HA SER A 91 4.551 11.753 -19.430 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.046 10.524 -21.482 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.710 9.058 -20.583 1.00 0.00 H new ATOM 0 HG SER A 91 2.252 11.467 -20.078 1.00 0.00 H new ATOM 1112 N VAL A 92 2.910 11.104 -17.538 1.00 0.00 N ATOM 1113 CA VAL A 92 2.085 10.747 -16.378 1.00 0.00 C ATOM 1114 C VAL A 92 1.234 9.485 -16.623 1.00 0.00 C ATOM 1115 O VAL A 92 0.815 8.820 -15.675 1.00 0.00 O ATOM 1116 CB VAL A 92 1.210 11.937 -15.947 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.963 13.272 -15.953 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.070 12.072 -16.775 1.00 0.00 C ATOM 0 H VAL A 92 2.701 12.025 -17.923 1.00 0.00 H new ATOM 0 HA VAL A 92 2.766 10.505 -15.562 1.00 0.00 H new ATOM 0 HB VAL A 92 0.931 11.705 -14.919 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.290 14.071 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.806 13.217 -15.265 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.328 13.479 -16.959 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.643 12.929 -16.422 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.189 12.216 -17.824 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.669 11.167 -16.670 1.00 0.00 H new ATOM 1128 N LYS A 93 1.009 9.145 -17.904 1.00 0.00 N ATOM 1129 CA LYS A 93 0.284 7.956 -18.389 1.00 0.00 C ATOM 1130 C LYS A 93 1.199 6.727 -18.567 1.00 0.00 C ATOM 1131 O LYS A 93 0.707 5.623 -18.803 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.445 8.325 -19.699 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.489 9.444 -19.504 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.962 10.051 -20.833 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.928 11.214 -20.550 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.279 11.969 -21.785 1.00 0.00 N ATOM 0 H LYS A 93 1.347 9.725 -18.672 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.444 7.660 -17.634 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.288 8.643 -20.441 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.939 7.439 -20.098 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.348 9.044 -18.966 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.061 10.230 -18.882 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.107 10.406 -21.408 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.458 9.291 -21.436 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.838 10.825 -20.093 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.474 11.893 -19.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.715 12.877 -21.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.418 12.145 -22.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.950 11.413 -22.353 1.00 0.00 H new ATOM 1150 N ASP A 94 2.515 6.905 -18.415 1.00 0.00 N ATOM 1151 CA ASP A 94 3.558 5.868 -18.456 1.00 0.00 C ATOM 1152 C ASP A 94 4.567 6.092 -17.297 1.00 0.00 C ATOM 1153 O ASP A 94 5.712 6.495 -17.532 1.00 0.00 O ATOM 1154 CB ASP A 94 4.238 5.864 -19.838 1.00 0.00 C ATOM 1155 CG ASP A 94 3.308 5.345 -20.947 1.00 0.00 C ATOM 1156 OD1 ASP A 94 3.124 4.107 -21.049 1.00 0.00 O ATOM 1157 OD2 ASP A 94 2.788 6.162 -21.745 1.00 0.00 O ATOM 0 H ASP A 94 2.907 7.832 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 94 3.113 4.883 -18.313 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.562 6.875 -20.083 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.133 5.243 -19.798 1.00 0.00 H new ATOM 1162 N PRO A 95 4.151 5.871 -16.031 1.00 0.00 N ATOM 1163 CA PRO A 95 4.913 6.243 -14.828 1.00 0.00 C ATOM 1164 C PRO A 95 6.139 5.355 -14.535 1.00 0.00 C ATOM 1165 O PRO A 95 6.987 5.709 -13.716 1.00 0.00 O ATOM 1166 CB PRO A 95 3.886 6.147 -13.695 1.00 0.00 C ATOM 1167 CG PRO A 95 2.954 5.028 -14.149 1.00 0.00 C ATOM 1168 CD PRO A 95 2.864 5.296 -15.648 1.00 0.00 C ATOM 0 HA PRO A 95 5.350 7.234 -14.953 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.361 5.912 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.349 7.086 -13.560 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.363 4.041 -13.933 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.980 5.083 -13.663 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.668 4.376 -16.198 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.047 5.982 -15.874 1.00 0.00 H new ATOM 1176 N SER A 96 6.241 4.201 -15.197 1.00 0.00 N ATOM 1177 CA SER A 96 7.205 3.116 -14.972 1.00 0.00 C ATOM 1178 C SER A 96 8.667 3.510 -14.687 1.00 0.00 C ATOM 1179 O SER A 96 9.223 2.948 -13.737 1.00 0.00 O ATOM 1180 CB SER A 96 7.168 2.153 -16.168 1.00 0.00 C ATOM 1181 OG SER A 96 5.830 1.752 -16.440 1.00 0.00 O ATOM 0 H SER A 96 5.605 3.981 -15.963 1.00 0.00 H new ATOM 0 HA SER A 96 6.870 2.658 -14.041 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.595 2.637 -17.046 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.781 1.277 -15.957 1.00 0.00 H new ATOM 0 HG SER A 96 5.821 1.140 -17.205 1.00 0.00 H new ATOM 1187 N PRO A 97 9.330 4.446 -15.412 1.00 0.00 N ATOM 1188 CA PRO A 97 10.752 4.708 -15.163 1.00 0.00 C ATOM 1189 C PRO A 97 11.023 5.403 -13.816 1.00 0.00 C ATOM 1190 O PRO A 97 12.125 5.277 -13.283 1.00 0.00 O ATOM 1191 CB PRO A 97 11.228 5.536 -16.357 1.00 0.00 C ATOM 1192 CG PRO A 97 9.972 6.286 -16.792 1.00 0.00 C ATOM 1193 CD PRO A 97 8.874 5.253 -16.550 1.00 0.00 C ATOM 0 HA PRO A 97 11.305 3.773 -15.076 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.028 6.221 -16.077 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.615 4.903 -17.156 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.815 7.191 -16.205 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.021 6.589 -17.838 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.923 5.737 -16.330 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.719 4.632 -17.433 1.00 0.00 H new ATOM 1201 N LEU A 98 10.025 6.076 -13.223 1.00 0.00 N ATOM 1202 CA LEU A 98 10.136 6.725 -11.915 1.00 0.00 C ATOM 1203 C LEU A 98 10.423 5.692 -10.814 1.00 0.00 C ATOM 1204 O LEU A 98 11.401 5.747 -10.065 1.00 0.00 O ATOM 1205 CB LEU A 98 8.812 7.465 -11.617 1.00 0.00 C ATOM 1206 CG LEU A 98 8.373 8.526 -12.643 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.969 9.027 -12.313 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.313 9.722 -12.626 1.00 0.00 C ATOM 0 H LEU A 98 9.105 6.184 -13.649 1.00 0.00 H new ATOM 0 HA LEU A 98 10.965 7.433 -11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.018 6.723 -11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.902 7.948 -10.644 1.00 0.00 H new ATOM 0 HG LEU A 98 8.391 8.058 -13.627 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.669 9.777 -13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.269 8.192 -12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.966 9.470 -11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.981 10.456 -13.360 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.310 10.173 -11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.323 9.394 -12.872 1.00 0.00 H new ATOM 1220 N TYR A 99 9.575 4.675 -10.762 1.00 0.00 N ATOM 1221 CA TYR A 99 9.640 3.659 -9.725 1.00 0.00 C ATOM 1222 C TYR A 99 10.989 2.933 -9.760 1.00 0.00 C ATOM 1223 O TYR A 99 11.596 2.731 -8.714 1.00 0.00 O ATOM 1224 CB TYR A 99 8.428 2.737 -9.894 1.00 0.00 C ATOM 1225 CG TYR A 99 7.115 3.412 -9.520 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.464 4.310 -10.401 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.565 3.161 -8.246 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.266 4.933 -9.998 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.353 3.763 -7.858 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.698 4.651 -8.737 1.00 0.00 C ATOM 1231 OH TYR A 99 3.519 5.235 -8.383 1.00 0.00 O ATOM 0 H TYR A 99 8.824 4.532 -11.437 1.00 0.00 H new ATOM 0 HA TYR A 99 9.588 4.101 -8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.376 2.400 -10.929 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.564 1.849 -9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.883 4.516 -11.375 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.078 2.501 -7.562 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.778 5.633 -10.660 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.926 3.546 -6.890 1.00 0.00 H new ATOM 0 HH TYR A 99 3.263 4.937 -7.485 1.00 0.00 H new ATOM 1241 N ASP A 100 11.541 2.688 -10.950 1.00 0.00 N ATOM 1242 CA ASP A 100 12.837 2.027 -11.142 1.00 0.00 C ATOM 1243 C ASP A 100 14.021 2.894 -10.705 1.00 0.00 C ATOM 1244 O ASP A 100 14.964 2.409 -10.080 1.00 0.00 O ATOM 1245 CB ASP A 100 12.987 1.656 -12.611 1.00 0.00 C ATOM 1246 CG ASP A 100 14.101 0.618 -12.822 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.015 -0.484 -12.227 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.058 0.896 -13.584 1.00 0.00 O ATOM 0 H ASP A 100 11.091 2.949 -11.827 1.00 0.00 H new ATOM 0 HA ASP A 100 12.850 1.138 -10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.043 1.259 -12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.208 2.551 -13.192 1.00 0.00 H new ATOM 1253 N MET A 101 13.932 4.199 -10.971 1.00 0.00 N ATOM 1254 CA MET A 101 14.895 5.191 -10.471 1.00 0.00 C ATOM 1255 C MET A 101 14.854 5.297 -8.933 1.00 0.00 C ATOM 1256 O MET A 101 15.866 5.635 -8.319 1.00 0.00 O ATOM 1257 CB MET A 101 14.731 6.550 -11.184 1.00 0.00 C ATOM 1258 CG MET A 101 13.953 7.573 -10.354 1.00 0.00 C ATOM 1259 SD MET A 101 13.065 8.821 -11.289 1.00 0.00 S ATOM 1260 CE MET A 101 11.893 9.303 -9.996 1.00 0.00 C ATOM 0 H MET A 101 13.188 4.602 -11.541 1.00 0.00 H new ATOM 0 HA MET A 101 15.897 4.842 -10.719 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.717 6.953 -11.416 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.218 6.396 -12.133 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.239 7.038 -9.728 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.650 8.075 -9.684 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.157 9.992 -10.411 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.386 8.416 -9.615 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.429 9.792 -9.183 1.00 0.00 H new ATOM 1270 N LEU A 102 13.698 5.030 -8.302 1.00 0.00 N ATOM 1271 CA LEU A 102 13.566 5.020 -6.850 1.00 0.00 C ATOM 1272 C LEU A 102 14.133 3.717 -6.294 1.00 0.00 C ATOM 1273 O LEU A 102 14.950 3.806 -5.390 1.00 0.00 O ATOM 1274 CB LEU A 102 12.112 5.283 -6.401 1.00 0.00 C ATOM 1275 CG LEU A 102 11.550 6.676 -6.748 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.126 6.810 -6.217 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.389 7.832 -6.198 1.00 0.00 C ATOM 0 H LEU A 102 12.831 4.815 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 102 14.149 5.843 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.469 4.528 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.054 5.146 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 102 11.574 6.747 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.736 7.797 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.495 6.045 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.128 6.683 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.932 8.780 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.436 7.763 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.397 7.778 -6.609 1.00 0.00 H new ATOM 1289 N ARG A 103 13.833 2.536 -6.865 1.00 0.00 N ATOM 1290 CA ARG A 103 14.222 1.226 -6.317 1.00 0.00 C ATOM 1291 C ARG A 103 15.660 1.093 -5.786 1.00 0.00 C ATOM 1292 O ARG A 103 15.887 0.431 -4.773 1.00 0.00 O ATOM 1293 CB ARG A 103 14.005 0.159 -7.403 1.00 0.00 C ATOM 1294 CG ARG A 103 12.525 -0.157 -7.650 1.00 0.00 C ATOM 1295 CD ARG A 103 12.303 -1.581 -8.139 1.00 0.00 C ATOM 1296 NE ARG A 103 12.902 -1.833 -9.468 1.00 0.00 N ATOM 1297 CZ ARG A 103 12.933 -2.985 -10.114 1.00 0.00 C ATOM 1298 NH1 ARG A 103 12.464 -4.090 -9.604 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.443 -3.033 -11.308 1.00 0.00 N ATOM 0 H ARG A 103 13.305 2.465 -7.735 1.00 0.00 H new ATOM 0 HA ARG A 103 13.589 1.095 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.458 0.500 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.522 -0.756 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.966 -0.003 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.126 0.542 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.727 -2.278 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.233 -1.781 -8.185 1.00 0.00 H new ATOM 0 HE ARG A 103 13.336 -1.036 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.053 -4.087 -8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.509 -4.958 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.815 -2.186 -11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.472 -3.918 -11.815 1.00 0.00 H new ATOM 1313 N LYS A 104 16.619 1.719 -6.479 1.00 0.00 N ATOM 1314 CA LYS A 104 18.067 1.682 -6.217 1.00 0.00 C ATOM 1315 C LYS A 104 18.657 2.930 -5.531 1.00 0.00 C ATOM 1316 O LYS A 104 19.825 2.914 -5.148 1.00 0.00 O ATOM 1317 CB LYS A 104 18.806 1.266 -7.510 1.00 0.00 C ATOM 1318 CG LYS A 104 18.252 1.755 -8.863 1.00 0.00 C ATOM 1319 CD LYS A 104 18.017 3.270 -8.978 1.00 0.00 C ATOM 1320 CE LYS A 104 19.245 4.163 -8.733 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.305 3.980 -9.771 1.00 0.00 N ATOM 0 H LYS A 104 16.394 2.300 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 104 18.232 0.922 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.836 1.612 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.837 0.177 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.944 1.452 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.309 1.244 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.631 3.483 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.240 3.552 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.933 5.207 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.661 3.940 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.110 4.604 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.625 2.990 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.919 4.218 -10.707 1.00 0.00 H new ATOM 1335 N ASN A 105 17.881 4.008 -5.376 1.00 0.00 N ATOM 1336 CA ASN A 105 18.287 5.244 -4.679 1.00 0.00 C ATOM 1337 C ASN A 105 17.551 5.428 -3.341 1.00 0.00 C ATOM 1338 O ASN A 105 18.128 5.901 -2.362 1.00 0.00 O ATOM 1339 CB ASN A 105 18.000 6.432 -5.608 1.00 0.00 C ATOM 1340 CG ASN A 105 18.955 7.533 -5.247 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.626 8.456 -4.524 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.186 7.404 -5.683 1.00 0.00 N ATOM 0 H ASN A 105 16.929 4.051 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 105 19.350 5.181 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.127 6.142 -6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.969 6.767 -5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.895 8.087 -5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.433 6.621 -6.288 1.00 0.00 H new ATOM 1349 N LEU A 106 16.270 5.050 -3.321 1.00 0.00 N ATOM 1350 CA LEU A 106 15.341 5.175 -2.203 1.00 0.00 C ATOM 1351 C LEU A 106 14.768 3.805 -1.800 1.00 0.00 C ATOM 1352 O LEU A 106 14.105 3.122 -2.581 1.00 0.00 O ATOM 1353 CB LEU A 106 14.259 6.180 -2.634 1.00 0.00 C ATOM 1354 CG LEU A 106 13.048 6.284 -1.698 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.437 6.791 -0.308 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.021 7.253 -2.271 1.00 0.00 C ATOM 0 H LEU A 106 15.831 4.623 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 106 15.842 5.543 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.716 7.166 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.906 5.904 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 106 12.635 5.279 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.548 6.849 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.155 6.105 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.885 7.781 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.167 7.318 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.473 8.239 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.688 6.896 -3.246 1.00 0.00 H new ATOM 1368 N VAL A 107 14.982 3.448 -0.534 1.00 0.00 N ATOM 1369 CA VAL A 107 14.387 2.261 0.110 1.00 0.00 C ATOM 1370 C VAL A 107 13.006 2.617 0.674 1.00 0.00 C ATOM 1371 O VAL A 107 12.814 3.714 1.196 1.00 0.00 O ATOM 1372 CB VAL A 107 15.327 1.680 1.192 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.755 0.418 1.851 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.691 1.304 0.594 1.00 0.00 C ATOM 0 H VAL A 107 15.585 3.982 0.092 1.00 0.00 H new ATOM 0 HA VAL A 107 14.256 1.478 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 107 15.432 2.465 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.454 0.051 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.803 0.655 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.601 -0.350 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.332 0.898 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 107 16.552 0.555 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.158 2.191 0.166 1.00 0.00 H new ATOM 1384 N THR A 108 12.033 1.708 0.581 1.00 0.00 N ATOM 1385 CA THR A 108 10.660 1.902 1.081 1.00 0.00 C ATOM 1386 C THR A 108 10.114 0.633 1.755 1.00 0.00 C ATOM 1387 O THR A 108 10.644 -0.467 1.577 1.00 0.00 O ATOM 1388 CB THR A 108 9.744 2.405 -0.054 1.00 0.00 C ATOM 1389 OG1 THR A 108 8.392 2.428 0.353 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.813 1.566 -1.330 1.00 0.00 C ATOM 0 H THR A 108 12.175 0.796 0.148 1.00 0.00 H new ATOM 0 HA THR A 108 10.681 2.669 1.855 1.00 0.00 H new ATOM 0 HB THR A 108 10.115 3.406 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.834 2.752 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.140 1.986 -2.078 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.833 1.572 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.515 0.541 -1.108 1.00 0.00 H new ATOM 1398 N LEU A 109 9.034 0.790 2.527 1.00 0.00 N ATOM 1399 CA LEU A 109 8.246 -0.314 3.093 1.00 0.00 C ATOM 1400 C LEU A 109 7.455 -1.085 2.012 1.00 0.00 C ATOM 1401 O LEU A 109 7.054 -2.231 2.228 1.00 0.00 O ATOM 1402 CB LEU A 109 7.321 0.268 4.167 1.00 0.00 C ATOM 1403 CG LEU A 109 6.589 -0.781 5.029 1.00 0.00 C ATOM 1404 CD1 LEU A 109 7.505 -1.837 5.657 1.00 0.00 C ATOM 1405 CD2 LEU A 109 5.917 -0.037 6.174 1.00 0.00 C ATOM 0 H LEU A 109 8.673 1.709 2.783 1.00 0.00 H new ATOM 0 HA LEU A 109 8.918 -1.048 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.908 0.910 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.578 0.901 3.682 1.00 0.00 H new ATOM 0 HG LEU A 109 5.899 -1.306 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.908 -2.533 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.026 -2.381 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.234 -1.348 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.387 -0.748 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.673 0.482 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.209 0.688 5.771 1.00 0.00 H new ATOM 1417 N ALA A 110 7.229 -0.462 0.849 1.00 0.00 N ATOM 1418 CA ALA A 110 6.481 -1.036 -0.267 1.00 0.00 C ATOM 1419 C ALA A 110 7.142 -2.312 -0.833 1.00 0.00 C ATOM 1420 O ALA A 110 8.368 -2.393 -0.959 1.00 0.00 O ATOM 1421 CB ALA A 110 6.329 0.041 -1.347 1.00 0.00 C ATOM 0 H ALA A 110 7.572 0.479 0.657 1.00 0.00 H new ATOM 0 HA ALA A 110 5.501 -1.350 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.773 -0.366 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.791 0.895 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.315 0.361 -1.683 1.00 0.00 H new ATOM 1427 N THR A 111 6.321 -3.306 -1.190 1.00 0.00 N ATOM 1428 CA THR A 111 6.761 -4.638 -1.645 1.00 0.00 C ATOM 1429 C THR A 111 5.830 -5.273 -2.684 1.00 0.00 C ATOM 1430 O THR A 111 4.659 -4.885 -2.827 1.00 0.00 O ATOM 1431 CB THR A 111 6.936 -5.558 -0.429 1.00 0.00 C ATOM 1432 OG1 THR A 111 7.592 -6.745 -0.829 1.00 0.00 O ATOM 1433 CG2 THR A 111 5.633 -5.945 0.280 1.00 0.00 C ATOM 0 H THR A 111 5.306 -3.208 -1.171 1.00 0.00 H new ATOM 0 HA THR A 111 7.715 -4.505 -2.155 1.00 0.00 H new ATOM 0 HB THR A 111 7.521 -4.982 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.706 -7.333 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.858 -6.595 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.132 -5.045 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.981 -6.470 -0.418 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.166 13.681 -12.231 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.942 14.049 -11.027 1.00 0.00 C HETATM 1444 CG2 48M A 200 1.006 11.792 -11.051 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.179 15.558 -13.756 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.486 14.390 -12.273 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.730 13.334 -10.119 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.576 10.833 -10.128 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.910 11.411 -12.046 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.198 14.978 -14.529 1.00 0.00 C HETATM 1451 CD6 48M A 200 0.474 16.698 -14.264 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.784 14.006 -12.610 1.00 0.00 C HETATM 1453 CE2 48M A 200 5.018 12.936 -10.466 1.00 0.00 C HETATM 1454 CE3 48M A 200 1.047 9.522 -10.198 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.425 10.120 -12.079 1.00 0.00 C HETATM 1456 CE5 48M A 200 -1.629 15.566 -15.713 1.00 0.00 C HETATM 1457 CE6 48M A 200 0.020 17.293 -15.444 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.548 13.279 -11.703 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.976 9.164 -11.173 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.039 16.740 -16.161 1.00 0.00 C HETATM 1461 CL2 48M A 200 7.159 12.793 -12.094 1.00 0.00 CL HETATM 1462 CL1 48M A 200 3.665 9.738 -13.216 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -1.533 17.370 -17.358 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.710 19.189 -14.573 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.288 16.830 -15.413 1.00 0.00 C HETATM 1466 NM1 48M A 200 -1.947 17.859 -18.305 1.00 0.00 N HETATM 1467 C1 48M A 200 -0.866 20.062 -11.394 1.00 0.00 C HETATM 1468 N1 48M A 200 -1.922 19.586 -12.073 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.806 21.261 -11.197 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.202 18.157 -12.269 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.031 17.626 -11.144 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.467 17.278 -11.240 1.00 0.00 C HETATM 1473 N3 48M A 200 0.917 15.494 -11.416 1.00 0.00 N HETATM 1474 C4 48M A 200 0.193 19.079 -10.893 1.00 0.00 C HETATM 1475 C5 48M A 200 0.972 16.740 -10.894 1.00 0.00 C HETATM 1476 O5 48M A 200 1.901 17.073 -10.183 1.00 0.00 O HETATM 1477 C6 48M A 200 0.132 14.906 -12.442 1.00 0.00 C HETATM 1478 O6 48M A 200 1.597 17.196 -13.623 1.00 0.00 O HETATM 1479 C7 48M A 200 0.469 13.223 -10.971 1.00 0.00 C HETATM 1480 C8 48M A 200 1.486 14.366 -10.661 1.00 0.00 C HETATM 1481 C9 48M A 200 2.828 17.694 -14.220 1.00 0.00 C