USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 49 TYR OH : rot -13:sc= 1.23 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0.613 K(o=1.8,f=-9.5!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0 K(o=1.8,f=0.4) USER MOD Set 2.1: A 23 MET CE :methyl -177:sc= -0.636 (180deg=-0.729) USER MOD Set 2.2: A 109 CYS SG : rot 100:sc= -0.886 USER MOD Single : A 4 MET CE :methyl 173:sc= -0.0997 (180deg=-0.223) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00735 K(o=-0.0074,f=-0.86) USER MOD Single : A 17 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.8!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0247 K(o=-0.025,f=-0.77) USER MOD Single : A 35 THR OG1 : rot -36:sc= 0.0774 USER MOD Single : A 36 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.11) USER MOD Single : A 41 MET CE :methyl 129:sc= -0.134 (180deg=-0.658) USER MOD Single : A 47 THR OG1 : rot 130:sc= 0.615 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.681 (180deg=0.658) USER MOD Single : A 55 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -153:sc= 1.18 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 171:sc= 1.24 USER MOD Single : A 68 SER OG : rot 165:sc= 1.29 USER MOD Single : A 70 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 72 MET CE :methyl -164:sc= -0.0136 (180deg=-0.356) USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00184 USER MOD Single : A 77 ASN : amide:sc= -0.26 K(o=-0.26,f=-4.3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00762 K(o=-0.0076,f=-8.2!) USER MOD Single : A 89 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1) USER MOD Single : A 91 CYS SG : rot -50:sc= -0.134 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -47:sc= 0.955 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -170:sc= -0.0341 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 107 SER OG : rot -23:sc= 1.64 USER MOD Single : A 111 SER OG : rot 79:sc= 1.24 USER MOD Single : A 114 SER OG : rot 76:sc= 0.651 USER MOD Single : A 115 MET CE :methyl 170:sc= -0.754 (180deg=-1.07) USER MOD Single : A 117 SER OG : rot -27:sc= 1.22 USER MOD Single : A 118 SER OG : rot -47:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 1.783 -6.758 -17.143 1.00 0.00 N ATOM 42 CA MET A 4 1.852 -5.707 -16.140 1.00 0.00 C ATOM 43 C MET A 4 1.806 -4.328 -16.765 1.00 0.00 C ATOM 44 O MET A 4 1.321 -3.397 -16.131 1.00 0.00 O ATOM 45 CB MET A 4 3.133 -5.803 -15.302 1.00 0.00 C ATOM 46 CG MET A 4 4.429 -5.471 -16.037 1.00 0.00 C ATOM 47 SD MET A 4 5.901 -5.527 -14.998 1.00 0.00 S ATOM 48 CE MET A 4 5.766 -4.008 -14.066 1.00 0.00 C ATOM 0 HA MET A 4 0.981 -5.851 -15.501 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.038 -5.132 -14.448 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.211 -6.815 -14.905 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.554 -6.170 -16.864 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.342 -4.475 -16.472 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.543 -3.980 -13.302 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.886 -3.157 -14.737 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.787 -3.959 -13.590 1.00 0.00 H new ATOM 58 N GLN A 5 2.260 -4.173 -18.007 1.00 0.00 N ATOM 59 CA GLN A 5 2.210 -2.847 -18.600 1.00 0.00 C ATOM 60 C GLN A 5 0.779 -2.413 -18.850 1.00 0.00 C ATOM 61 O GLN A 5 0.402 -1.292 -18.508 1.00 0.00 O ATOM 62 CB GLN A 5 3.004 -2.827 -19.907 1.00 0.00 C ATOM 63 CG GLN A 5 4.508 -2.947 -19.723 1.00 0.00 C ATOM 64 CD GLN A 5 5.245 -3.059 -21.044 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.710 -3.577 -22.028 1.00 0.00 O ATOM 66 NE2 GLN A 5 6.481 -2.572 -21.076 1.00 0.00 N ATOM 0 H GLN A 5 2.648 -4.911 -18.595 1.00 0.00 H new ATOM 0 HA GLN A 5 2.658 -2.143 -17.898 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.660 -3.645 -20.541 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.787 -1.900 -20.437 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.875 -2.077 -19.178 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.728 -3.822 -19.112 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.885 -2.152 -20.239 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.025 -2.618 -21.937 1.00 0.00 H new ATOM 75 N LYS A 6 -0.016 -3.313 -19.412 1.00 0.00 N ATOM 76 CA LYS A 6 -1.406 -3.021 -19.694 1.00 0.00 C ATOM 77 C LYS A 6 -2.211 -2.910 -18.415 1.00 0.00 C ATOM 78 O LYS A 6 -3.026 -1.995 -18.296 1.00 0.00 O ATOM 79 CB LYS A 6 -1.991 -4.108 -20.592 1.00 0.00 C ATOM 80 CG LYS A 6 -1.450 -4.094 -22.016 1.00 0.00 C ATOM 81 CD LYS A 6 -2.050 -5.219 -22.845 1.00 0.00 C ATOM 82 CE LYS A 6 -1.506 -5.214 -24.266 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.080 -6.320 -25.082 1.00 0.00 N ATOM 0 H LYS A 6 0.282 -4.251 -19.680 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.458 -2.061 -20.208 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.787 -5.082 -20.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.074 -3.993 -20.625 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.674 -3.135 -22.483 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.365 -4.193 -21.996 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.831 -6.177 -22.373 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.135 -5.116 -22.869 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.733 -4.258 -24.739 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.420 -5.307 -24.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.685 -6.283 -26.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.842 -7.233 -24.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.114 -6.217 -25.128 1.00 0.00 H new ATOM 97 N ARG A 7 -1.977 -3.821 -17.466 1.00 0.00 N ATOM 98 CA ARG A 7 -2.711 -3.789 -16.214 1.00 0.00 C ATOM 99 C ARG A 7 -2.467 -2.526 -15.420 1.00 0.00 C ATOM 100 O ARG A 7 -3.416 -1.943 -14.894 1.00 0.00 O ATOM 101 CB ARG A 7 -2.340 -4.955 -15.325 1.00 0.00 C ATOM 102 CG ARG A 7 -3.129 -4.945 -14.035 1.00 0.00 C ATOM 103 CD ARG A 7 -4.570 -5.201 -14.288 1.00 0.00 C ATOM 104 NE ARG A 7 -5.342 -5.074 -13.068 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.627 -5.411 -12.869 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.367 -5.961 -13.807 1.00 0.00 N ATOM 107 NH2 ARG A 7 -7.100 -5.149 -11.666 1.00 0.00 N ATOM 0 H ARG A 7 -1.295 -4.575 -17.545 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.761 -3.838 -16.502 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.521 -5.890 -15.856 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.274 -4.917 -15.100 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.735 -5.703 -13.358 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.009 -3.982 -13.539 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.943 -4.498 -15.033 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.698 -6.201 -14.701 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.851 -4.682 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.969 -6.147 -14.727 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.339 -6.202 -13.614 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.498 -4.719 -10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.068 -5.376 -11.438 1.00 0.00 H new ATOM 121 N LEU A 8 -1.205 -2.119 -15.328 1.00 0.00 N ATOM 122 CA LEU A 8 -0.860 -0.920 -14.595 1.00 0.00 C ATOM 123 C LEU A 8 -1.368 0.325 -15.278 1.00 0.00 C ATOM 124 O LEU A 8 -1.732 1.264 -14.579 1.00 0.00 O ATOM 125 CB LEU A 8 0.650 -0.861 -14.401 1.00 0.00 C ATOM 126 CG LEU A 8 1.128 -1.946 -13.440 1.00 0.00 C ATOM 127 CD1 LEU A 8 2.638 -1.991 -13.398 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.548 -1.630 -12.079 1.00 0.00 C ATOM 0 H LEU A 8 -0.413 -2.603 -15.751 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.347 -0.962 -13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.147 -0.980 -15.364 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.931 0.119 -14.016 1.00 0.00 H new ATOM 0 HG LEU A 8 0.794 -2.930 -13.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.960 -2.771 -12.707 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.023 -2.207 -14.394 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.022 -1.028 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.869 -2.386 -11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.897 -0.650 -11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.540 -1.626 -12.139 1.00 0.00 H new ATOM 140 N GLN A 9 -1.398 0.365 -16.611 1.00 0.00 N ATOM 141 CA GLN A 9 -1.989 1.525 -17.262 1.00 0.00 C ATOM 142 C GLN A 9 -3.477 1.597 -16.956 1.00 0.00 C ATOM 143 O GLN A 9 -4.004 2.687 -16.740 1.00 0.00 O ATOM 144 CB GLN A 9 -1.760 1.484 -18.771 1.00 0.00 C ATOM 145 CG GLN A 9 -0.319 1.727 -19.183 1.00 0.00 C ATOM 146 CD GLN A 9 -0.103 1.542 -20.672 1.00 0.00 C ATOM 147 OE1 GLN A 9 -0.939 0.968 -21.375 1.00 0.00 O ATOM 148 NE2 GLN A 9 1.029 2.031 -21.165 1.00 0.00 N ATOM 0 H GLN A 9 -1.037 -0.358 -17.233 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.503 2.419 -16.871 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.077 0.512 -19.150 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.394 2.233 -19.245 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.029 2.739 -18.900 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.332 1.044 -18.637 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.694 2.499 -20.549 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.234 1.939 -22.160 1.00 0.00 H new ATOM 157 N LYS A 10 -4.158 0.451 -16.939 1.00 0.00 N ATOM 158 CA LYS A 10 -5.575 0.443 -16.609 1.00 0.00 C ATOM 159 C LYS A 10 -5.846 0.881 -15.173 1.00 0.00 C ATOM 160 O LYS A 10 -6.766 1.668 -14.944 1.00 0.00 O ATOM 161 CB LYS A 10 -6.150 -0.953 -16.839 1.00 0.00 C ATOM 162 CG LYS A 10 -6.261 -1.348 -18.305 1.00 0.00 C ATOM 163 CD LYS A 10 -6.802 -2.761 -18.463 1.00 0.00 C ATOM 164 CE LYS A 10 -6.898 -3.147 -19.932 1.00 0.00 C ATOM 165 NZ LYS A 10 -7.420 -4.530 -20.112 1.00 0.00 N ATOM 0 H LYS A 10 -3.758 -0.464 -17.146 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.063 1.165 -17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.523 -1.681 -16.324 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.139 -1.006 -16.384 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.915 -0.647 -18.823 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.281 -1.278 -18.777 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.153 -3.463 -17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.786 -2.831 -18.000 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.550 -2.443 -20.450 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.913 -3.068 -20.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.470 -4.753 -21.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.785 -5.205 -19.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.370 -4.599 -19.695 1.00 0.00 H new ATOM 179 N GLU A 11 -5.052 0.386 -14.217 1.00 0.00 N ATOM 180 CA GLU A 11 -5.237 0.770 -12.822 1.00 0.00 C ATOM 181 C GLU A 11 -4.873 2.234 -12.615 1.00 0.00 C ATOM 182 O GLU A 11 -5.559 2.928 -11.863 1.00 0.00 O ATOM 183 CB GLU A 11 -4.418 -0.144 -11.891 1.00 0.00 C ATOM 184 CG GLU A 11 -4.956 -1.574 -11.814 1.00 0.00 C ATOM 185 CD GLU A 11 -4.188 -2.528 -10.929 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.135 -2.199 -10.440 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.650 -3.632 -10.739 1.00 0.00 O ATOM 0 H GLU A 11 -4.289 -0.270 -14.384 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.290 0.647 -12.569 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.385 -0.171 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.407 0.286 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.987 -1.534 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.980 -1.986 -12.823 1.00 0.00 H new ATOM 194 N LEU A 12 -3.812 2.689 -13.285 1.00 0.00 N ATOM 195 CA LEU A 12 -3.363 4.071 -13.240 1.00 0.00 C ATOM 196 C LEU A 12 -4.450 5.017 -13.680 1.00 0.00 C ATOM 197 O LEU A 12 -4.803 5.926 -12.933 1.00 0.00 O ATOM 198 CB LEU A 12 -2.148 4.274 -14.155 1.00 0.00 C ATOM 199 CG LEU A 12 -1.601 5.701 -14.292 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.100 6.198 -12.944 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.490 5.700 -15.330 1.00 0.00 C ATOM 0 H LEU A 12 -3.236 2.094 -13.881 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.095 4.285 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.342 3.637 -13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.412 3.917 -15.150 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.390 6.378 -14.620 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.714 7.212 -13.051 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.921 6.196 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.306 5.543 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.092 6.709 -15.438 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.306 5.028 -15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.887 5.363 -16.287 1.00 0.00 H new ATOM 213 N LEU A 13 -4.982 4.780 -14.874 1.00 0.00 N ATOM 214 CA LEU A 13 -6.010 5.630 -15.439 1.00 0.00 C ATOM 215 C LEU A 13 -7.299 5.593 -14.642 1.00 0.00 C ATOM 216 O LEU A 13 -7.958 6.625 -14.516 1.00 0.00 O ATOM 217 CB LEU A 13 -6.273 5.199 -16.882 1.00 0.00 C ATOM 218 CG LEU A 13 -5.116 5.475 -17.851 1.00 0.00 C ATOM 219 CD1 LEU A 13 -5.433 4.847 -19.201 1.00 0.00 C ATOM 220 CD2 LEU A 13 -4.914 6.976 -17.964 1.00 0.00 C ATOM 0 H LEU A 13 -4.712 3.998 -15.470 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.650 6.658 -15.407 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.493 4.132 -16.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.164 5.712 -17.244 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.190 5.033 -17.483 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.614 5.040 -19.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.560 3.771 -19.081 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.352 5.279 -19.597 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.093 7.182 -18.651 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.827 7.439 -18.340 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.677 7.386 -16.982 1.00 0.00 H new ATOM 232 N ALA A 14 -7.665 4.427 -14.105 1.00 0.00 N ATOM 233 CA ALA A 14 -8.864 4.326 -13.285 1.00 0.00 C ATOM 234 C ALA A 14 -8.751 5.218 -12.060 1.00 0.00 C ATOM 235 O ALA A 14 -9.710 5.906 -11.705 1.00 0.00 O ATOM 236 CB ALA A 14 -9.090 2.885 -12.858 1.00 0.00 C ATOM 0 H ALA A 14 -7.153 3.553 -14.223 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.715 4.657 -13.880 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.990 2.824 -12.246 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.209 2.258 -13.742 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.233 2.538 -12.280 1.00 0.00 H new ATOM 242 N LEU A 15 -7.584 5.192 -11.426 1.00 0.00 N ATOM 243 CA LEU A 15 -7.323 5.995 -10.248 1.00 0.00 C ATOM 244 C LEU A 15 -6.982 7.441 -10.552 1.00 0.00 C ATOM 245 O LEU A 15 -7.088 8.284 -9.668 1.00 0.00 O ATOM 246 CB LEU A 15 -6.222 5.302 -9.472 1.00 0.00 C ATOM 247 CG LEU A 15 -6.699 3.954 -8.933 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.550 3.194 -8.284 1.00 0.00 C ATOM 249 CD2 LEU A 15 -7.831 4.247 -7.961 1.00 0.00 C ATOM 0 H LEU A 15 -6.796 4.613 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.235 6.064 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.355 5.154 -10.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.900 5.935 -8.645 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.061 3.308 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.913 2.238 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.766 3.020 -9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.147 3.780 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.207 3.311 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.462 4.879 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.636 4.761 -8.485 1.00 0.00 H new ATOM 261 N GLN A 16 -6.521 7.757 -11.757 1.00 0.00 N ATOM 262 CA GLN A 16 -6.364 9.166 -12.080 1.00 0.00 C ATOM 263 C GLN A 16 -7.754 9.759 -12.260 1.00 0.00 C ATOM 264 O GLN A 16 -8.002 10.899 -11.863 1.00 0.00 O ATOM 265 CB GLN A 16 -5.496 9.392 -13.321 1.00 0.00 C ATOM 266 CG GLN A 16 -4.023 9.084 -13.106 1.00 0.00 C ATOM 267 CD GLN A 16 -3.182 9.279 -14.349 1.00 0.00 C ATOM 268 OE1 GLN A 16 -3.649 9.165 -15.486 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.912 9.589 -14.119 1.00 0.00 N ATOM 0 H GLN A 16 -6.262 7.096 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.840 9.664 -11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.872 8.771 -14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.598 10.429 -13.640 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.638 9.723 -12.311 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.921 8.054 -12.765 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.573 9.672 -13.161 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.275 9.744 -14.901 1.00 0.00 H new ATOM 278 N ASN A 17 -8.657 8.993 -12.870 1.00 0.00 N ATOM 279 CA ASN A 17 -10.030 9.438 -13.030 1.00 0.00 C ATOM 280 C ASN A 17 -10.793 9.479 -11.708 1.00 0.00 C ATOM 281 O ASN A 17 -11.601 10.385 -11.500 1.00 0.00 O ATOM 282 CB ASN A 17 -10.744 8.547 -14.024 1.00 0.00 C ATOM 283 CG ASN A 17 -10.289 8.805 -15.433 1.00 0.00 C ATOM 284 OD1 ASN A 17 -9.746 9.874 -15.738 1.00 0.00 O ATOM 285 ND2 ASN A 17 -10.502 7.849 -16.300 1.00 0.00 N ATOM 0 H ASN A 17 -8.460 8.070 -13.257 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.000 10.461 -13.406 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.565 7.502 -13.770 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.819 8.712 -13.953 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.217 7.969 -17.272 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.953 6.983 -16.004 1.00 0.00 H new ATOM 292 N ASP A 18 -10.561 8.513 -10.818 1.00 0.00 N ATOM 293 CA ASP A 18 -11.248 8.535 -9.535 1.00 0.00 C ATOM 294 C ASP A 18 -10.488 7.837 -8.404 1.00 0.00 C ATOM 295 O ASP A 18 -10.768 6.674 -8.111 1.00 0.00 O ATOM 296 CB ASP A 18 -12.617 7.871 -9.693 1.00 0.00 C ATOM 297 CG ASP A 18 -13.497 7.970 -8.455 1.00 0.00 C ATOM 298 OD1 ASP A 18 -13.048 8.498 -7.466 1.00 0.00 O ATOM 299 OD2 ASP A 18 -14.614 7.512 -8.509 1.00 0.00 O ATOM 0 H ASP A 18 -9.922 7.730 -10.958 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.333 9.584 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.137 8.329 -10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.473 6.819 -9.942 1.00 0.00 H new ATOM 304 N PRO A 19 -9.530 8.511 -7.763 1.00 0.00 N ATOM 305 CA PRO A 19 -8.782 8.010 -6.636 1.00 0.00 C ATOM 306 C PRO A 19 -9.609 8.135 -5.364 1.00 0.00 C ATOM 307 O PRO A 19 -10.449 9.034 -5.287 1.00 0.00 O ATOM 308 CB PRO A 19 -7.582 8.951 -6.629 1.00 0.00 C ATOM 309 CG PRO A 19 -8.146 10.247 -7.164 1.00 0.00 C ATOM 310 CD PRO A 19 -9.216 9.882 -8.182 1.00 0.00 C ATOM 0 HA PRO A 19 -8.505 6.957 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.175 9.075 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.774 8.576 -7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.570 10.845 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.362 10.846 -7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.083 10.541 -8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.846 9.928 -9.206 1.00 0.00 H new ATOM 318 N PRO A 20 -9.419 7.282 -4.360 1.00 0.00 N ATOM 319 CA PRO A 20 -10.115 7.394 -3.107 1.00 0.00 C ATOM 320 C PRO A 20 -9.525 8.541 -2.282 1.00 0.00 C ATOM 321 O PRO A 20 -8.376 8.923 -2.524 1.00 0.00 O ATOM 322 CB PRO A 20 -9.852 6.021 -2.494 1.00 0.00 C ATOM 323 CG PRO A 20 -8.530 5.611 -3.078 1.00 0.00 C ATOM 324 CD PRO A 20 -8.493 6.157 -4.502 1.00 0.00 C ATOM 0 HA PRO A 20 -11.178 7.627 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.810 6.071 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.639 5.312 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.705 6.011 -2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.426 4.526 -3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.494 6.473 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.831 5.428 -5.238 1.00 0.00 H new ATOM 332 N PRO A 21 -10.285 9.104 -1.338 1.00 0.00 N ATOM 333 CA PRO A 21 -9.852 10.167 -0.462 1.00 0.00 C ATOM 334 C PRO A 21 -8.566 9.823 0.267 1.00 0.00 C ATOM 335 O PRO A 21 -8.462 8.776 0.908 1.00 0.00 O ATOM 336 CB PRO A 21 -11.044 10.260 0.498 1.00 0.00 C ATOM 337 CG PRO A 21 -12.213 9.782 -0.318 1.00 0.00 C ATOM 338 CD PRO A 21 -11.673 8.653 -1.171 1.00 0.00 C ATOM 0 HA PRO A 21 -9.615 11.098 -0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.894 9.638 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.194 11.281 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.024 9.437 0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.615 10.584 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.740 7.685 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.199 8.560 -2.121 1.00 0.00 H new ATOM 346 N GLY A 22 -7.597 10.726 0.185 1.00 0.00 N ATOM 347 CA GLY A 22 -6.305 10.528 0.825 1.00 0.00 C ATOM 348 C GLY A 22 -5.310 9.772 -0.054 1.00 0.00 C ATOM 349 O GLY A 22 -4.214 9.451 0.397 1.00 0.00 O ATOM 0 H GLY A 22 -7.684 11.607 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.884 11.498 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.448 9.980 1.756 1.00 0.00 H new ATOM 353 N MET A 23 -5.662 9.467 -1.303 1.00 0.00 N ATOM 354 CA MET A 23 -4.725 8.759 -2.173 1.00 0.00 C ATOM 355 C MET A 23 -4.421 9.427 -3.511 1.00 0.00 C ATOM 356 O MET A 23 -5.333 9.800 -4.248 1.00 0.00 O ATOM 357 CB MET A 23 -5.284 7.377 -2.451 1.00 0.00 C ATOM 358 CG MET A 23 -4.455 6.524 -3.390 1.00 0.00 C ATOM 359 SD MET A 23 -5.152 4.879 -3.603 1.00 0.00 S ATOM 360 CE MET A 23 -4.089 4.324 -4.921 1.00 0.00 C ATOM 0 H MET A 23 -6.563 9.691 -1.726 1.00 0.00 H new ATOM 0 HA MET A 23 -3.780 8.746 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.391 6.848 -1.504 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.284 7.484 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.385 7.016 -4.360 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.440 6.440 -3.002 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.396 3.328 -5.241 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.162 5.014 -5.762 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.058 4.290 -4.568 1.00 0.00 H new ATOM 370 N THR A 24 -3.130 9.584 -3.815 1.00 0.00 N ATOM 371 CA THR A 24 -2.702 10.144 -5.096 1.00 0.00 C ATOM 372 C THR A 24 -1.608 9.314 -5.760 1.00 0.00 C ATOM 373 O THR A 24 -0.555 9.052 -5.180 1.00 0.00 O ATOM 374 CB THR A 24 -2.187 11.590 -4.940 1.00 0.00 C ATOM 375 OG1 THR A 24 -3.226 12.424 -4.411 1.00 0.00 O ATOM 376 CG2 THR A 24 -1.725 12.137 -6.284 1.00 0.00 C ATOM 0 H THR A 24 -2.364 9.331 -3.190 1.00 0.00 H new ATOM 0 HA THR A 24 -3.589 10.132 -5.730 1.00 0.00 H new ATOM 0 HB THR A 24 -1.342 11.586 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.892 13.340 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.365 13.158 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.920 11.514 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.559 12.131 -6.985 1.00 0.00 H new ATOM 384 N LEU A 25 -1.820 8.914 -7.007 1.00 0.00 N ATOM 385 CA LEU A 25 -0.769 8.146 -7.659 1.00 0.00 C ATOM 386 C LEU A 25 0.227 9.054 -8.355 1.00 0.00 C ATOM 387 O LEU A 25 -0.174 10.022 -9.004 1.00 0.00 O ATOM 388 CB LEU A 25 -1.318 7.220 -8.749 1.00 0.00 C ATOM 389 CG LEU A 25 -2.319 6.123 -8.391 1.00 0.00 C ATOM 390 CD1 LEU A 25 -2.710 5.423 -9.672 1.00 0.00 C ATOM 391 CD2 LEU A 25 -1.693 5.137 -7.442 1.00 0.00 C ATOM 0 H LEU A 25 -2.658 9.094 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.301 7.570 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.786 7.851 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.464 6.736 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.194 6.554 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.426 4.632 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.163 6.141 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.823 4.991 -10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.417 4.360 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.820 4.683 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.388 5.652 -6.531 1.00 0.00 H new ATOM 403 N ASN A 26 1.512 8.748 -8.235 1.00 0.00 N ATOM 404 CA ASN A 26 2.504 9.491 -8.993 1.00 0.00 C ATOM 405 C ASN A 26 2.927 8.572 -10.131 1.00 0.00 C ATOM 406 O ASN A 26 3.031 7.359 -9.942 1.00 0.00 O ATOM 407 CB ASN A 26 3.667 9.933 -8.123 1.00 0.00 C ATOM 408 CG ASN A 26 3.235 10.927 -7.077 1.00 0.00 C ATOM 409 OD1 ASN A 26 2.444 11.833 -7.364 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.739 10.780 -5.879 1.00 0.00 N ATOM 0 H ASN A 26 1.883 8.010 -7.636 1.00 0.00 H new ATOM 0 HA ASN A 26 2.096 10.422 -9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.109 9.063 -7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.441 10.377 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.483 11.429 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.388 10.017 -5.689 1.00 0.00 H new ATOM 542 N THR A 35 10.704 -0.496 -12.122 1.00 0.00 N ATOM 543 CA THR A 35 9.418 -1.196 -12.070 1.00 0.00 C ATOM 544 C THR A 35 8.648 -0.863 -10.792 1.00 0.00 C ATOM 545 O THR A 35 7.791 -1.637 -10.364 1.00 0.00 O ATOM 546 CB THR A 35 9.590 -2.728 -12.146 1.00 0.00 C ATOM 547 OG1 THR A 35 10.430 -3.170 -11.071 1.00 0.00 O ATOM 548 CG2 THR A 35 10.202 -3.148 -13.473 1.00 0.00 C ATOM 0 HA THR A 35 8.856 -0.853 -12.939 1.00 0.00 H new ATOM 0 HB THR A 35 8.605 -3.187 -12.063 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.131 -2.505 -10.909 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.311 -4.232 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.553 -2.830 -14.289 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.181 -2.683 -13.586 1.00 0.00 H new ATOM 556 N GLN A 36 8.953 0.284 -10.189 1.00 0.00 N ATOM 557 CA GLN A 36 8.337 0.679 -8.930 1.00 0.00 C ATOM 558 C GLN A 36 7.712 2.079 -8.940 1.00 0.00 C ATOM 559 O GLN A 36 8.343 3.063 -9.326 1.00 0.00 O ATOM 560 CB GLN A 36 9.394 0.571 -7.831 1.00 0.00 C ATOM 561 CG GLN A 36 8.956 0.858 -6.409 1.00 0.00 C ATOM 562 CD GLN A 36 10.136 0.655 -5.478 1.00 0.00 C ATOM 563 OE1 GLN A 36 11.188 1.271 -5.669 1.00 0.00 O ATOM 564 NE2 GLN A 36 9.987 -0.209 -4.481 1.00 0.00 N ATOM 0 H GLN A 36 9.626 0.957 -10.556 1.00 0.00 H new ATOM 0 HA GLN A 36 7.501 0.003 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.807 -0.438 -7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.206 1.255 -8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.584 1.880 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.136 0.197 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.100 -0.698 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.759 -0.384 -3.838 1.00 0.00 H new ATOM 573 N TRP A 37 6.453 2.134 -8.513 1.00 0.00 N ATOM 574 CA TRP A 37 5.643 3.349 -8.418 1.00 0.00 C ATOM 575 C TRP A 37 5.528 3.945 -7.016 1.00 0.00 C ATOM 576 O TRP A 37 5.579 3.248 -6.005 1.00 0.00 O ATOM 577 CB TRP A 37 4.231 3.081 -8.945 1.00 0.00 C ATOM 578 CG TRP A 37 4.069 3.026 -10.441 1.00 0.00 C ATOM 579 CD1 TRP A 37 3.394 3.969 -11.159 1.00 0.00 C ATOM 580 CD2 TRP A 37 4.551 2.063 -11.413 1.00 0.00 C ATOM 581 NE1 TRP A 37 3.402 3.652 -12.493 1.00 0.00 N ATOM 582 CE2 TRP A 37 4.106 2.490 -12.667 1.00 0.00 C ATOM 583 CE3 TRP A 37 5.311 0.896 -11.328 1.00 0.00 C ATOM 584 CZ2 TRP A 37 4.386 1.784 -13.826 1.00 0.00 C ATOM 585 CZ3 TRP A 37 5.594 0.187 -12.489 1.00 0.00 C ATOM 586 CH2 TRP A 37 5.141 0.620 -13.706 1.00 0.00 C ATOM 0 H TRP A 37 5.948 1.301 -8.211 1.00 0.00 H new ATOM 0 HA TRP A 37 6.173 4.083 -9.025 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.887 2.134 -8.530 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.570 3.857 -8.559 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.920 4.842 -10.736 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.957 4.193 -13.234 1.00 0.00 H new ATOM 0 HE3 TRP A 37 5.675 0.548 -10.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.031 2.124 -14.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.180 -0.719 -12.430 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.374 0.047 -14.591 1.00 0.00 H new ATOM 597 N ILE A 38 5.382 5.269 -6.971 1.00 0.00 N ATOM 598 CA ILE A 38 5.239 6.015 -5.721 1.00 0.00 C ATOM 599 C ILE A 38 3.806 6.509 -5.549 1.00 0.00 C ATOM 600 O ILE A 38 3.255 7.113 -6.469 1.00 0.00 O ATOM 601 CB ILE A 38 6.185 7.228 -5.665 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.640 6.769 -5.757 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.958 7.983 -4.360 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.615 7.904 -5.956 1.00 0.00 C ATOM 0 H ILE A 38 5.359 5.857 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 38 5.498 5.328 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 38 5.976 7.886 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.902 6.231 -4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.740 6.065 -6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.626 8.843 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.924 8.324 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.161 7.322 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.629 7.507 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.378 8.429 -6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.543 8.597 -5.118 1.00 0.00 H new ATOM 616 N VAL A 39 3.202 6.216 -4.398 1.00 0.00 N ATOM 617 CA VAL A 39 1.842 6.656 -4.124 1.00 0.00 C ATOM 618 C VAL A 39 1.760 7.521 -2.867 1.00 0.00 C ATOM 619 O VAL A 39 2.232 7.140 -1.798 1.00 0.00 O ATOM 620 CB VAL A 39 0.915 5.438 -3.965 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.499 5.918 -3.669 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.998 4.591 -5.223 1.00 0.00 C ATOM 0 H VAL A 39 3.633 5.678 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 39 1.522 7.262 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 39 1.224 4.814 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.159 5.058 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.500 6.500 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.852 6.540 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.345 3.724 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.684 5.184 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.025 4.256 -5.369 1.00 0.00 H new ATOM 632 N ASP A 40 1.165 8.703 -2.969 1.00 0.00 N ATOM 633 CA ASP A 40 1.059 9.532 -1.780 1.00 0.00 C ATOM 634 C ASP A 40 -0.171 9.131 -0.974 1.00 0.00 C ATOM 635 O ASP A 40 -1.260 8.939 -1.520 1.00 0.00 O ATOM 636 CB ASP A 40 1.031 11.019 -2.133 1.00 0.00 C ATOM 637 CG ASP A 40 2.388 11.533 -2.613 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.340 10.794 -2.534 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.485 12.677 -2.994 1.00 0.00 O ATOM 0 H ASP A 40 0.766 9.094 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 40 1.945 9.368 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.286 11.191 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.718 11.591 -1.259 1.00 0.00 H new ATOM 644 N MET A 41 -0.004 9.011 0.342 1.00 0.00 N ATOM 645 CA MET A 41 -1.120 8.629 1.191 1.00 0.00 C ATOM 646 C MET A 41 -1.302 9.500 2.434 1.00 0.00 C ATOM 647 O MET A 41 -0.367 9.777 3.182 1.00 0.00 O ATOM 648 CB MET A 41 -0.947 7.177 1.618 1.00 0.00 C ATOM 649 CG MET A 41 -2.079 6.651 2.485 1.00 0.00 C ATOM 650 SD MET A 41 -1.861 4.913 2.895 1.00 0.00 S ATOM 651 CE MET A 41 -0.512 5.077 4.049 1.00 0.00 C ATOM 0 H MET A 41 0.877 9.170 0.832 1.00 0.00 H new ATOM 0 HA MET A 41 -2.019 8.771 0.591 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.865 6.554 0.727 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.009 7.078 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.135 7.236 3.403 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.027 6.785 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.754 4.545 4.969 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.393 4.654 3.613 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.349 6.132 4.271 1.00 0.00 H new ATOM 661 N GLU A 42 -2.529 9.952 2.660 1.00 0.00 N ATOM 662 CA GLU A 42 -2.827 10.741 3.846 1.00 0.00 C ATOM 663 C GLU A 42 -3.592 9.906 4.861 1.00 0.00 C ATOM 664 O GLU A 42 -4.570 9.244 4.512 1.00 0.00 O ATOM 665 CB GLU A 42 -3.627 11.995 3.505 1.00 0.00 C ATOM 666 CG GLU A 42 -3.921 12.872 4.718 1.00 0.00 C ATOM 667 CD GLU A 42 -4.675 14.123 4.368 1.00 0.00 C ATOM 668 OE1 GLU A 42 -4.975 14.306 3.212 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.950 14.901 5.252 1.00 0.00 O ATOM 0 H GLU A 42 -3.326 9.788 2.044 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.875 11.053 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.076 12.579 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.569 11.702 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.497 12.298 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.982 13.143 5.200 1.00 0.00 H new ATOM 676 N GLY A 43 -3.132 9.930 6.106 1.00 0.00 N ATOM 677 CA GLY A 43 -3.778 9.205 7.188 1.00 0.00 C ATOM 678 C GLY A 43 -5.230 9.638 7.338 1.00 0.00 C ATOM 679 O GLY A 43 -5.534 10.798 7.628 1.00 0.00 O ATOM 0 H GLY A 43 -2.303 10.451 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.732 8.134 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.243 9.382 8.121 1.00 0.00 H new ATOM 683 N ALA A 44 -6.130 8.678 7.139 1.00 0.00 N ATOM 684 CA ALA A 44 -7.564 8.916 7.225 1.00 0.00 C ATOM 685 C ALA A 44 -7.936 9.380 8.632 1.00 0.00 C ATOM 686 O ALA A 44 -7.325 8.933 9.604 1.00 0.00 O ATOM 687 CB ALA A 44 -8.333 7.655 6.863 1.00 0.00 C ATOM 0 H ALA A 44 -5.883 7.714 6.914 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.832 9.699 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.403 7.849 6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.083 7.356 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.064 6.854 7.552 1.00 0.00 H new ATOM 693 N PRO A 45 -8.932 10.258 8.767 1.00 0.00 N ATOM 694 CA PRO A 45 -9.350 10.806 10.031 1.00 0.00 C ATOM 695 C PRO A 45 -10.074 9.864 10.967 1.00 0.00 C ATOM 696 O PRO A 45 -10.678 8.873 10.550 1.00 0.00 O ATOM 697 CB PRO A 45 -10.260 11.947 9.557 1.00 0.00 C ATOM 698 CG PRO A 45 -10.764 11.516 8.208 1.00 0.00 C ATOM 699 CD PRO A 45 -9.617 10.766 7.572 1.00 0.00 C ATOM 0 HA PRO A 45 -8.499 11.089 10.650 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.084 12.108 10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.711 12.886 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.645 10.881 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.054 12.376 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.959 9.964 6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.979 11.416 6.973 1.00 0.00 H new ATOM 707 N GLY A 46 -10.020 10.215 12.247 1.00 0.00 N ATOM 708 CA GLY A 46 -10.637 9.422 13.295 1.00 0.00 C ATOM 709 C GLY A 46 -9.645 8.468 13.950 1.00 0.00 C ATOM 710 O GLY A 46 -10.057 7.530 14.634 1.00 0.00 O ATOM 0 H GLY A 46 -9.548 11.055 12.583 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.056 10.085 14.052 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.466 8.851 12.877 1.00 0.00 H new ATOM 714 N THR A 47 -8.344 8.691 13.753 1.00 0.00 N ATOM 715 CA THR A 47 -7.368 7.801 14.370 1.00 0.00 C ATOM 716 C THR A 47 -6.000 8.446 14.628 1.00 0.00 C ATOM 717 O THR A 47 -5.796 9.642 14.419 1.00 0.00 O ATOM 718 CB THR A 47 -7.205 6.538 13.492 1.00 0.00 C ATOM 719 OG1 THR A 47 -6.426 5.567 14.204 1.00 0.00 O ATOM 720 CG2 THR A 47 -6.553 6.876 12.159 1.00 0.00 C ATOM 0 H THR A 47 -7.956 9.450 13.193 1.00 0.00 H new ATOM 0 HA THR A 47 -7.760 7.545 15.354 1.00 0.00 H new ATOM 0 HB THR A 47 -8.191 6.126 13.278 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.887 4.702 14.187 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.451 5.969 11.563 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.173 7.595 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.567 7.307 12.335 1.00 0.00 H new ATOM 728 N LEU A 48 -5.041 7.605 15.009 1.00 0.00 N ATOM 729 CA LEU A 48 -3.702 8.004 15.434 1.00 0.00 C ATOM 730 C LEU A 48 -2.808 8.590 14.359 1.00 0.00 C ATOM 731 O LEU A 48 -1.868 9.322 14.668 1.00 0.00 O ATOM 732 CB LEU A 48 -2.990 6.783 16.024 1.00 0.00 C ATOM 733 CG LEU A 48 -3.569 6.248 17.337 1.00 0.00 C ATOM 734 CD1 LEU A 48 -2.848 4.961 17.712 1.00 0.00 C ATOM 735 CD2 LEU A 48 -3.404 7.302 18.421 1.00 0.00 C ATOM 0 H LEU A 48 -5.179 6.595 15.031 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.863 8.806 16.155 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.010 5.981 15.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.943 7.039 16.187 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.631 6.030 17.224 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.255 4.575 18.646 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.987 4.223 16.922 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.784 5.163 17.836 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.814 6.927 19.359 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.345 7.526 18.552 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.934 8.209 18.130 1.00 0.00 H new ATOM 747 N TYR A 49 -3.094 8.269 13.107 1.00 0.00 N ATOM 748 CA TYR A 49 -2.294 8.744 11.999 1.00 0.00 C ATOM 749 C TYR A 49 -3.006 9.837 11.214 1.00 0.00 C ATOM 750 O TYR A 49 -2.534 10.201 10.137 1.00 0.00 O ATOM 751 CB TYR A 49 -1.996 7.547 11.104 1.00 0.00 C ATOM 752 CG TYR A 49 -1.313 6.478 11.919 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.056 6.443 12.154 1.00 0.00 C ATOM 754 CD2 TYR A 49 -2.134 5.507 12.460 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.585 5.428 12.936 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.605 4.506 13.235 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.245 4.464 13.475 1.00 0.00 C ATOM 758 OH TYR A 49 0.223 3.441 14.263 1.00 0.00 O ATOM 0 H TYR A 49 -3.880 7.678 12.836 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.372 9.186 12.376 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.920 7.159 10.675 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.360 7.849 10.272 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.701 7.199 11.732 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.197 5.536 12.272 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.648 5.391 13.124 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.252 3.751 13.657 1.00 0.00 H new ATOM 0 HH TYR A 49 1.200 3.396 14.194 1.00 0.00 H new ATOM 768 N GLU A 50 -4.118 10.357 11.747 1.00 0.00 N ATOM 769 CA GLU A 50 -4.875 11.389 11.050 1.00 0.00 C ATOM 770 C GLU A 50 -4.085 12.599 10.592 1.00 0.00 C ATOM 771 O GLU A 50 -3.476 13.314 11.389 1.00 0.00 O ATOM 772 CB GLU A 50 -6.008 11.864 11.959 1.00 0.00 C ATOM 773 CG GLU A 50 -6.837 13.012 11.402 1.00 0.00 C ATOM 774 CD GLU A 50 -8.041 13.313 12.253 1.00 0.00 C ATOM 775 OE1 GLU A 50 -8.391 12.490 13.068 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.617 14.361 12.087 1.00 0.00 O ATOM 0 H GLU A 50 -4.506 10.080 12.649 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.230 10.914 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.670 11.022 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.583 12.172 12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.215 13.904 11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.162 12.766 10.391 1.00 0.00 H new ATOM 783 N GLY A 51 -4.126 12.824 9.281 1.00 0.00 N ATOM 784 CA GLY A 51 -3.482 13.963 8.645 1.00 0.00 C ATOM 785 C GLY A 51 -2.008 13.745 8.315 1.00 0.00 C ATOM 786 O GLY A 51 -1.367 14.640 7.763 1.00 0.00 O ATOM 0 H GLY A 51 -4.613 12.212 8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.017 14.202 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.572 14.829 9.300 1.00 0.00 H new ATOM 790 N GLU A 52 -1.453 12.581 8.649 1.00 0.00 N ATOM 791 CA GLU A 52 -0.042 12.351 8.383 1.00 0.00 C ATOM 792 C GLU A 52 0.205 11.939 6.942 1.00 0.00 C ATOM 793 O GLU A 52 -0.583 11.210 6.343 1.00 0.00 O ATOM 794 CB GLU A 52 0.506 11.282 9.330 1.00 0.00 C ATOM 795 CG GLU A 52 0.516 11.677 10.800 1.00 0.00 C ATOM 796 CD GLU A 52 1.156 10.653 11.693 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.792 9.754 11.192 1.00 0.00 O ATOM 798 OE2 GLU A 52 1.015 10.769 12.888 1.00 0.00 O ATOM 0 H GLU A 52 -1.945 11.805 9.092 1.00 0.00 H new ATOM 0 HA GLU A 52 0.479 13.293 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.089 10.376 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.524 11.036 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.045 12.624 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.509 11.844 11.130 1.00 0.00 H new ATOM 805 N LYS A 53 1.300 12.415 6.357 1.00 0.00 N ATOM 806 CA LYS A 53 1.571 12.026 4.981 1.00 0.00 C ATOM 807 C LYS A 53 2.620 10.927 4.933 1.00 0.00 C ATOM 808 O LYS A 53 3.674 11.019 5.564 1.00 0.00 O ATOM 809 CB LYS A 53 2.020 13.205 4.125 1.00 0.00 C ATOM 810 CG LYS A 53 2.187 12.798 2.668 1.00 0.00 C ATOM 811 CD LYS A 53 2.546 13.952 1.746 1.00 0.00 C ATOM 812 CE LYS A 53 2.601 13.425 0.322 1.00 0.00 C ATOM 813 NZ LYS A 53 2.892 14.463 -0.706 1.00 0.00 N ATOM 0 H LYS A 53 1.982 13.039 6.788 1.00 0.00 H new ATOM 0 HA LYS A 53 0.634 11.653 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.289 14.010 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.963 13.596 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.963 12.036 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.261 12.341 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.806 14.748 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.507 14.380 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.364 12.649 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.648 12.953 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.795 14.049 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.222 15.251 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.862 14.815 -0.579 1.00 0.00 H new ATOM 827 N PHE A 54 2.307 9.890 4.169 1.00 0.00 N ATOM 828 CA PHE A 54 3.164 8.735 3.999 1.00 0.00 C ATOM 829 C PHE A 54 3.346 8.483 2.515 1.00 0.00 C ATOM 830 O PHE A 54 2.503 8.893 1.719 1.00 0.00 O ATOM 831 CB PHE A 54 2.391 7.515 4.481 1.00 0.00 C ATOM 832 CG PHE A 54 1.926 7.581 5.902 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.771 7.262 6.946 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.627 7.979 6.186 1.00 0.00 C ATOM 835 CE1 PHE A 54 2.327 7.333 8.248 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.179 8.046 7.490 1.00 0.00 C ATOM 837 CZ PHE A 54 1.034 7.722 8.521 1.00 0.00 C ATOM 0 H PHE A 54 1.435 9.831 3.643 1.00 0.00 H new ATOM 0 HA PHE A 54 4.106 8.898 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.523 7.376 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.021 6.634 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.786 6.955 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.041 8.239 5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.996 7.083 9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.835 8.351 7.701 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.690 7.773 9.544 1.00 0.00 H new ATOM 847 N GLN A 55 4.443 7.861 2.100 1.00 0.00 N ATOM 848 CA GLN A 55 4.468 7.504 0.695 1.00 0.00 C ATOM 849 C GLN A 55 4.572 5.995 0.629 1.00 0.00 C ATOM 850 O GLN A 55 5.201 5.357 1.472 1.00 0.00 O ATOM 851 CB GLN A 55 5.608 8.190 -0.050 1.00 0.00 C ATOM 852 CG GLN A 55 5.487 9.697 -0.106 1.00 0.00 C ATOM 853 CD GLN A 55 6.595 10.339 -0.915 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.782 10.230 -0.595 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.202 11.016 -1.989 1.00 0.00 N ATOM 0 H GLN A 55 5.258 7.612 2.660 1.00 0.00 H new ATOM 0 HA GLN A 55 3.560 7.846 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.551 7.929 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.650 7.801 -1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.523 9.965 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.503 10.097 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.210 11.081 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.893 11.471 -2.586 1.00 0.00 H new ATOM 864 N LEU A 56 3.928 5.412 -0.366 1.00 0.00 N ATOM 865 CA LEU A 56 4.004 3.977 -0.518 1.00 0.00 C ATOM 866 C LEU A 56 4.715 3.601 -1.797 1.00 0.00 C ATOM 867 O LEU A 56 4.574 4.242 -2.837 1.00 0.00 O ATOM 868 CB LEU A 56 2.601 3.370 -0.502 1.00 0.00 C ATOM 869 CG LEU A 56 1.785 3.574 0.780 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.388 3.025 0.552 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.470 2.852 1.935 1.00 0.00 C ATOM 0 H LEU A 56 3.362 5.897 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 56 4.577 3.579 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.038 3.789 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.690 2.299 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 56 1.718 4.633 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.208 3.161 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.081 3.556 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.449 1.963 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.892 2.995 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.536 1.787 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.473 3.256 2.073 1.00 0.00 H new ATOM 883 N LEU A 57 5.497 2.542 -1.716 1.00 0.00 N ATOM 884 CA LEU A 57 6.173 2.057 -2.895 1.00 0.00 C ATOM 885 C LEU A 57 5.463 0.820 -3.358 1.00 0.00 C ATOM 886 O LEU A 57 5.081 -0.004 -2.537 1.00 0.00 O ATOM 887 CB LEU A 57 7.637 1.762 -2.608 1.00 0.00 C ATOM 888 CG LEU A 57 8.452 2.972 -2.171 1.00 0.00 C ATOM 889 CD1 LEU A 57 9.873 2.553 -1.827 1.00 0.00 C ATOM 890 CD2 LEU A 57 8.439 3.974 -3.315 1.00 0.00 C ATOM 0 H LEU A 57 5.676 2.012 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 57 6.150 2.820 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.695 1.001 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.091 1.338 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 57 8.022 3.424 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.445 3.427 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.852 1.826 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.342 2.105 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.016 4.855 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.881 3.519 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.411 4.267 -3.531 1.00 0.00 H new ATOM 902 N PHE A 58 5.271 0.721 -4.664 1.00 0.00 N ATOM 903 CA PHE A 58 4.658 -0.416 -5.329 1.00 0.00 C ATOM 904 C PHE A 58 5.550 -1.016 -6.398 1.00 0.00 C ATOM 905 O PHE A 58 5.585 -0.529 -7.528 1.00 0.00 O ATOM 906 CB PHE A 58 3.293 -0.043 -5.896 1.00 0.00 C ATOM 907 CG PHE A 58 2.213 0.216 -4.891 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.094 1.379 -4.146 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.265 -0.778 -4.724 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.059 1.515 -3.237 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.235 -0.641 -3.825 1.00 0.00 C ATOM 912 CZ PHE A 58 0.134 0.507 -3.072 1.00 0.00 C ATOM 0 H PHE A 58 5.548 1.458 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 58 4.518 -1.188 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.409 0.848 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.964 -0.846 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.808 2.179 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.336 -1.681 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.976 2.419 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.492 -1.431 -3.710 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.666 0.617 -2.355 1.00 0.00 H new ATOM 922 N LYS A 59 6.307 -2.047 -6.039 1.00 0.00 N ATOM 923 CA LYS A 59 7.174 -2.672 -7.026 1.00 0.00 C ATOM 924 C LYS A 59 6.404 -3.807 -7.671 1.00 0.00 C ATOM 925 O LYS A 59 5.873 -4.695 -7.000 1.00 0.00 O ATOM 926 CB LYS A 59 8.482 -3.151 -6.411 1.00 0.00 C ATOM 927 CG LYS A 59 9.479 -3.706 -7.415 1.00 0.00 C ATOM 928 CD LYS A 59 10.774 -4.094 -6.718 1.00 0.00 C ATOM 929 CE LYS A 59 11.787 -4.671 -7.696 1.00 0.00 C ATOM 930 NZ LYS A 59 13.052 -5.057 -7.012 1.00 0.00 N ATOM 0 H LYS A 59 6.339 -2.455 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 59 7.457 -1.941 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.945 -2.320 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.262 -3.921 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.054 -4.575 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.682 -2.962 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.200 -3.219 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.563 -4.826 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.360 -5.543 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.002 -3.937 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.719 -5.446 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.472 -4.219 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.850 -5.775 -6.288 1.00 0.00 H new ATOM 944 N PHE A 60 6.339 -3.791 -8.993 1.00 0.00 N ATOM 945 CA PHE A 60 5.550 -4.813 -9.653 1.00 0.00 C ATOM 946 C PHE A 60 6.370 -5.831 -10.423 1.00 0.00 C ATOM 947 O PHE A 60 7.463 -5.553 -10.919 1.00 0.00 O ATOM 948 CB PHE A 60 4.575 -4.162 -10.613 1.00 0.00 C ATOM 949 CG PHE A 60 3.601 -3.250 -9.944 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.475 -3.695 -9.290 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.852 -1.899 -9.980 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.609 -2.798 -8.697 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.997 -0.991 -9.400 1.00 0.00 C ATOM 954 CZ PHE A 60 1.871 -1.448 -8.762 1.00 0.00 C ATOM 0 H PHE A 60 6.799 -3.116 -9.604 1.00 0.00 H new ATOM 0 HA PHE A 60 5.037 -5.352 -8.856 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.134 -3.599 -11.360 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.027 -4.940 -11.145 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.267 -4.754 -9.240 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.742 -1.542 -10.476 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.728 -3.154 -8.183 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.209 0.067 -9.446 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.187 -0.745 -8.309 1.00 0.00 H new ATOM 964 N SER A 61 5.789 -7.018 -10.498 1.00 0.00 N ATOM 965 CA SER A 61 6.311 -8.186 -11.187 1.00 0.00 C ATOM 966 C SER A 61 5.877 -8.279 -12.625 1.00 0.00 C ATOM 967 O SER A 61 4.809 -7.796 -12.994 1.00 0.00 O ATOM 968 CB SER A 61 5.865 -9.459 -10.528 1.00 0.00 C ATOM 969 OG SER A 61 6.244 -10.553 -11.321 1.00 0.00 O ATOM 0 H SER A 61 4.889 -7.202 -10.054 1.00 0.00 H new ATOM 0 HA SER A 61 7.393 -8.065 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.310 -9.543 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.783 -9.452 -10.392 1.00 0.00 H new ATOM 0 HG SER A 61 5.626 -11.298 -11.168 1.00 0.00 H new ATOM 975 N SER A 62 6.695 -8.948 -13.430 1.00 0.00 N ATOM 976 CA SER A 62 6.405 -9.142 -14.846 1.00 0.00 C ATOM 977 C SER A 62 5.149 -9.985 -15.070 1.00 0.00 C ATOM 978 O SER A 62 4.555 -9.929 -16.148 1.00 0.00 O ATOM 979 CB SER A 62 7.580 -9.814 -15.524 1.00 0.00 C ATOM 980 OG SER A 62 7.731 -11.133 -15.073 1.00 0.00 O ATOM 0 H SER A 62 7.572 -9.368 -13.122 1.00 0.00 H new ATOM 0 HA SER A 62 6.229 -8.156 -15.277 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.433 -9.809 -16.604 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.491 -9.250 -15.324 1.00 0.00 H new ATOM 0 HG SER A 62 8.495 -11.548 -15.526 1.00 0.00 H new ATOM 986 N ARG A 63 4.746 -10.770 -14.064 1.00 0.00 N ATOM 987 CA ARG A 63 3.520 -11.547 -14.166 1.00 0.00 C ATOM 988 C ARG A 63 2.285 -10.827 -13.624 1.00 0.00 C ATOM 989 O ARG A 63 1.215 -11.430 -13.653 1.00 0.00 O ATOM 990 CB ARG A 63 3.615 -12.879 -13.433 1.00 0.00 C ATOM 991 CG ARG A 63 4.545 -13.934 -14.011 1.00 0.00 C ATOM 992 CD ARG A 63 4.304 -15.253 -13.356 1.00 0.00 C ATOM 993 NE ARG A 63 4.687 -15.286 -11.954 1.00 0.00 N ATOM 994 CZ ARG A 63 5.889 -15.650 -11.475 1.00 0.00 C ATOM 995 NH1 ARG A 63 6.856 -16.045 -12.274 1.00 0.00 N ATOM 996 NH2 ARG A 63 6.059 -15.598 -10.168 1.00 0.00 N ATOM 0 H ARG A 63 5.248 -10.879 -13.183 1.00 0.00 H new ATOM 0 HA ARG A 63 3.405 -11.702 -15.239 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.930 -12.678 -12.409 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.614 -13.306 -13.380 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.385 -14.020 -15.086 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.582 -13.633 -13.866 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.247 -15.503 -13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.858 -16.023 -13.893 1.00 0.00 H new ATOM 0 HE ARG A 63 3.980 -15.008 -11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.703 -16.080 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.759 -16.316 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.295 -15.291 -9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.955 -15.865 -9.759 1.00 0.00 H new ATOM 1010 N TYR A 64 2.412 -9.579 -13.159 1.00 0.00 N ATOM 1011 CA TYR A 64 1.313 -8.793 -12.595 1.00 0.00 C ATOM 1012 C TYR A 64 0.228 -8.688 -13.670 1.00 0.00 C ATOM 1013 O TYR A 64 0.549 -8.434 -14.832 1.00 0.00 O ATOM 1014 CB TYR A 64 1.818 -7.414 -12.147 1.00 0.00 C ATOM 1015 CG TYR A 64 0.827 -6.542 -11.414 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.638 -6.787 -10.063 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.119 -5.527 -12.042 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.247 -6.027 -9.332 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.770 -4.764 -11.303 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.952 -5.006 -9.954 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.817 -4.246 -9.197 1.00 0.00 O ATOM 0 H TYR A 64 3.301 -9.079 -13.165 1.00 0.00 H new ATOM 0 HA TYR A 64 0.899 -9.272 -11.708 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.686 -7.560 -11.504 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.162 -6.873 -13.029 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.189 -7.580 -9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.260 -5.334 -13.095 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.392 -6.224 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.326 -3.973 -11.785 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.130 -3.483 -9.726 1.00 0.00 H new ATOM 1031 N PRO A 65 -1.048 -8.869 -13.315 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.635 -9.073 -12.004 1.00 0.00 C ATOM 1033 C PRO A 65 -1.750 -10.479 -11.444 1.00 0.00 C ATOM 1034 O PRO A 65 -2.670 -10.738 -10.677 1.00 0.00 O ATOM 1035 CB PRO A 65 -3.029 -8.498 -12.262 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.316 -8.869 -13.689 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.994 -8.739 -14.421 1.00 0.00 C ATOM 0 HA PRO A 65 -1.001 -8.627 -11.238 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.768 -8.923 -11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.048 -7.418 -12.119 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.704 -9.885 -13.759 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.069 -8.210 -14.121 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.860 -9.518 -15.172 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.899 -7.782 -14.934 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.910 -11.411 -11.860 1.00 0.00 N ATOM 1046 CA PHE A 66 -0.904 -12.726 -11.233 1.00 0.00 C ATOM 1047 C PHE A 66 -0.208 -12.610 -9.875 1.00 0.00 C ATOM 1048 O PHE A 66 -0.744 -13.022 -8.845 1.00 0.00 O ATOM 1049 CB PHE A 66 -0.200 -13.752 -12.119 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.129 -15.132 -11.543 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.239 -15.963 -11.532 1.00 0.00 C ATOM 1052 CD2 PHE A 66 1.060 -15.601 -11.011 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -1.157 -17.236 -11.000 1.00 0.00 C ATOM 1054 CE2 PHE A 66 1.147 -16.870 -10.477 1.00 0.00 C ATOM 1055 CZ PHE A 66 0.035 -17.689 -10.472 1.00 0.00 C ATOM 0 H PHE A 66 -0.234 -11.289 -12.614 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.929 -13.071 -11.095 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.717 -13.799 -13.078 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.813 -13.404 -12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.175 -15.613 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.932 -14.964 -11.014 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.026 -17.877 -10.997 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.081 -17.222 -10.064 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.098 -18.683 -10.055 1.00 0.00 H new ATOM 1065 N ASP A 67 1.009 -12.067 -9.901 1.00 0.00 N ATOM 1066 CA ASP A 67 1.828 -11.829 -8.714 1.00 0.00 C ATOM 1067 C ASP A 67 1.391 -10.610 -7.906 1.00 0.00 C ATOM 1068 O ASP A 67 0.886 -9.645 -8.474 1.00 0.00 O ATOM 1069 CB ASP A 67 3.290 -11.624 -9.103 1.00 0.00 C ATOM 1070 CG ASP A 67 4.039 -12.854 -9.600 1.00 0.00 C ATOM 1071 OD1 ASP A 67 3.609 -13.971 -9.431 1.00 0.00 O ATOM 1072 OD2 ASP A 67 5.087 -12.666 -10.170 1.00 0.00 O ATOM 0 H ASP A 67 1.462 -11.774 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 67 1.700 -12.717 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.333 -10.861 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.821 -11.227 -8.238 1.00 0.00 H new ATOM 1077 N SER A 68 1.592 -10.654 -6.587 1.00 0.00 N ATOM 1078 CA SER A 68 1.266 -9.519 -5.726 1.00 0.00 C ATOM 1079 C SER A 68 2.328 -8.429 -5.850 1.00 0.00 C ATOM 1080 O SER A 68 3.457 -8.731 -6.237 1.00 0.00 O ATOM 1081 CB SER A 68 1.210 -9.942 -4.266 1.00 0.00 C ATOM 1082 OG SER A 68 2.493 -10.291 -3.816 1.00 0.00 O ATOM 0 H SER A 68 1.977 -11.460 -6.095 1.00 0.00 H new ATOM 0 HA SER A 68 0.294 -9.143 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.812 -9.129 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.533 -10.788 -4.150 1.00 0.00 H new ATOM 0 HG SER A 68 2.498 -10.326 -2.837 1.00 0.00 H new ATOM 1088 N PRO A 69 2.009 -7.169 -5.536 1.00 0.00 N ATOM 1089 CA PRO A 69 2.961 -6.081 -5.524 1.00 0.00 C ATOM 1090 C PRO A 69 3.789 -6.059 -4.243 1.00 0.00 C ATOM 1091 O PRO A 69 3.297 -6.444 -3.182 1.00 0.00 O ATOM 1092 CB PRO A 69 2.020 -4.879 -5.643 1.00 0.00 C ATOM 1093 CG PRO A 69 0.736 -5.329 -5.000 1.00 0.00 C ATOM 1094 CD PRO A 69 0.600 -6.797 -5.359 1.00 0.00 C ATOM 0 HA PRO A 69 3.719 -6.130 -6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.430 -4.005 -5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.864 -4.601 -6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.768 -5.190 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.112 -4.753 -5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.117 -7.372 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.016 -6.948 -6.267 1.00 0.00 H new ATOM 1102 N GLN A 70 5.038 -5.609 -4.331 1.00 0.00 N ATOM 1103 CA GLN A 70 5.848 -5.478 -3.127 1.00 0.00 C ATOM 1104 C GLN A 70 5.556 -4.092 -2.597 1.00 0.00 C ATOM 1105 O GLN A 70 5.862 -3.100 -3.262 1.00 0.00 O ATOM 1106 CB GLN A 70 7.337 -5.674 -3.390 1.00 0.00 C ATOM 1107 CG GLN A 70 8.196 -5.498 -2.151 1.00 0.00 C ATOM 1108 CD GLN A 70 7.954 -6.582 -1.118 1.00 0.00 C ATOM 1109 OE1 GLN A 70 8.111 -7.774 -1.398 1.00 0.00 O ATOM 1110 NE2 GLN A 70 7.568 -6.173 0.085 1.00 0.00 N ATOM 0 H GLN A 70 5.500 -5.336 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 70 5.595 -6.255 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.498 -6.673 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.661 -4.964 -4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.247 -5.502 -2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.991 -4.524 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.451 -5.177 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.389 -6.855 0.822 1.00 0.00 H new ATOM 1119 N VAL A 71 4.964 -4.001 -1.406 1.00 0.00 N ATOM 1120 CA VAL A 71 4.582 -2.675 -0.942 1.00 0.00 C ATOM 1121 C VAL A 71 5.161 -2.275 0.402 1.00 0.00 C ATOM 1122 O VAL A 71 5.181 -3.059 1.352 1.00 0.00 O ATOM 1123 CB VAL A 71 3.049 -2.547 -0.912 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.622 -1.162 -0.437 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.533 -2.835 -2.305 1.00 0.00 C ATOM 0 H VAL A 71 4.750 -4.778 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 71 5.015 -1.982 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 71 2.627 -3.261 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.534 -1.101 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.006 -0.988 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.021 -0.406 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.446 -2.752 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.958 -2.117 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.822 -3.844 -2.599 1.00 0.00 H new ATOM 1135 N MET A 72 5.648 -1.036 0.452 1.00 0.00 N ATOM 1136 CA MET A 72 6.261 -0.522 1.674 1.00 0.00 C ATOM 1137 C MET A 72 6.165 0.987 1.888 1.00 0.00 C ATOM 1138 O MET A 72 5.899 1.760 0.972 1.00 0.00 O ATOM 1139 CB MET A 72 7.736 -0.902 1.678 1.00 0.00 C ATOM 1140 CG MET A 72 8.519 -0.269 0.544 1.00 0.00 C ATOM 1141 SD MET A 72 10.273 -0.668 0.590 1.00 0.00 S ATOM 1142 CE MET A 72 10.756 0.366 1.968 1.00 0.00 C ATOM 0 H MET A 72 5.631 -0.378 -0.328 1.00 0.00 H new ATOM 0 HA MET A 72 5.692 -0.975 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.179 -0.603 2.628 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.825 -1.986 1.612 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.102 -0.600 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.397 0.813 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.840 0.479 1.976 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.290 1.346 1.868 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.432 -0.096 2.901 1.00 0.00 H new ATOM 1152 N PHE A 73 6.405 1.413 3.125 1.00 0.00 N ATOM 1153 CA PHE A 73 6.398 2.828 3.477 1.00 0.00 C ATOM 1154 C PHE A 73 7.737 3.475 3.179 1.00 0.00 C ATOM 1155 O PHE A 73 8.791 2.861 3.348 1.00 0.00 O ATOM 1156 CB PHE A 73 6.097 3.096 4.959 1.00 0.00 C ATOM 1157 CG PHE A 73 4.684 2.922 5.417 1.00 0.00 C ATOM 1158 CD1 PHE A 73 3.796 3.972 5.269 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.230 1.754 5.996 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.486 3.860 5.685 1.00 0.00 C ATOM 1161 CE2 PHE A 73 2.913 1.643 6.406 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.041 2.691 6.254 1.00 0.00 C ATOM 0 H PHE A 73 6.609 0.790 3.907 1.00 0.00 H new ATOM 0 HA PHE A 73 5.600 3.254 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.728 2.437 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.401 4.118 5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.134 4.894 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.906 0.923 6.130 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.809 4.692 5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.568 0.721 6.851 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.015 2.598 6.578 1.00 0.00 H new ATOM 1172 N THR A 74 7.685 4.724 2.731 1.00 0.00 N ATOM 1173 CA THR A 74 8.894 5.483 2.459 1.00 0.00 C ATOM 1174 C THR A 74 8.668 6.965 2.744 1.00 0.00 C ATOM 1175 O THR A 74 7.545 7.482 2.759 1.00 0.00 O ATOM 1176 CB THR A 74 9.377 5.278 1.006 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.660 5.897 0.822 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.412 5.902 0.018 1.00 0.00 C ATOM 0 H THR A 74 6.818 5.230 2.549 1.00 0.00 H new ATOM 0 HA THR A 74 9.676 5.113 3.122 1.00 0.00 H new ATOM 0 HB THR A 74 9.439 4.204 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.960 5.761 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.777 5.743 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.430 5.441 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.334 6.972 0.212 1.00 0.00 H new ATOM 1186 N GLY A 75 9.778 7.638 3.017 1.00 0.00 N ATOM 1187 CA GLY A 75 9.769 9.059 3.322 1.00 0.00 C ATOM 1188 C GLY A 75 10.178 9.279 4.768 1.00 0.00 C ATOM 1189 O GLY A 75 10.626 8.353 5.446 1.00 0.00 O ATOM 0 H GLY A 75 10.706 7.214 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.453 9.587 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.775 9.471 3.149 1.00 0.00 H new ATOM 1193 N GLU A 76 10.031 10.516 5.229 1.00 0.00 N ATOM 1194 CA GLU A 76 10.358 10.905 6.598 1.00 0.00 C ATOM 1195 C GLU A 76 9.413 10.354 7.670 1.00 0.00 C ATOM 1196 O GLU A 76 9.705 10.479 8.860 1.00 0.00 O ATOM 1197 CB GLU A 76 10.389 12.431 6.700 1.00 0.00 C ATOM 1198 CG GLU A 76 9.042 13.115 6.511 1.00 0.00 C ATOM 1199 CD GLU A 76 8.711 13.364 5.066 1.00 0.00 C ATOM 1200 OE1 GLU A 76 9.293 12.721 4.224 1.00 0.00 O ATOM 1201 OE2 GLU A 76 7.880 14.200 4.801 1.00 0.00 O ATOM 0 H GLU A 76 9.678 11.285 4.659 1.00 0.00 H new ATOM 0 HA GLU A 76 11.334 10.463 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.786 12.707 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.083 12.816 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.261 12.498 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.044 14.064 7.047 1.00 0.00 H new ATOM 1208 N ASN A 77 8.290 9.758 7.272 1.00 0.00 N ATOM 1209 CA ASN A 77 7.350 9.224 8.241 1.00 0.00 C ATOM 1210 C ASN A 77 7.034 7.753 8.053 1.00 0.00 C ATOM 1211 O ASN A 77 6.183 7.382 7.245 1.00 0.00 O ATOM 1212 CB ASN A 77 6.057 10.010 8.192 1.00 0.00 C ATOM 1213 CG ASN A 77 5.068 9.570 9.237 1.00 0.00 C ATOM 1214 OD1 ASN A 77 5.271 8.580 9.949 1.00 0.00 O ATOM 1215 ND2 ASN A 77 3.989 10.299 9.337 1.00 0.00 N ATOM 0 H ASN A 77 8.016 9.636 6.297 1.00 0.00 H new ATOM 0 HA ASN A 77 7.838 9.322 9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.275 11.069 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.608 9.901 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.273 10.059 10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.862 11.108 8.729 1.00 0.00 H new ATOM 1222 N ILE A 78 7.742 6.917 8.802 1.00 0.00 N ATOM 1223 CA ILE A 78 7.461 5.492 8.820 1.00 0.00 C ATOM 1224 C ILE A 78 6.671 5.342 10.118 1.00 0.00 C ATOM 1225 O ILE A 78 7.239 5.590 11.182 1.00 0.00 O ATOM 1226 CB ILE A 78 8.729 4.619 8.825 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.641 4.999 7.654 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.327 3.154 8.725 1.00 0.00 C ATOM 1229 CD1 ILE A 78 8.994 4.861 6.301 1.00 0.00 C ATOM 0 H ILE A 78 8.514 7.204 9.404 1.00 0.00 H new ATOM 0 HA ILE A 78 6.931 5.157 7.928 1.00 0.00 H new ATOM 0 HB ILE A 78 9.277 4.783 9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.971 6.030 7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.533 4.373 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.221 2.530 8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.698 2.890 9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.774 2.991 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.705 5.149 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.689 3.826 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.119 5.508 6.249 1.00 0.00 H new ATOM 1241 N PRO A 79 5.396 4.958 10.093 1.00 0.00 N ATOM 1242 CA PRO A 79 4.591 4.893 11.288 1.00 0.00 C ATOM 1243 C PRO A 79 4.936 3.786 12.265 1.00 0.00 C ATOM 1244 O PRO A 79 5.260 2.667 11.874 1.00 0.00 O ATOM 1245 CB PRO A 79 3.205 4.665 10.672 1.00 0.00 C ATOM 1246 CG PRO A 79 3.459 4.009 9.343 1.00 0.00 C ATOM 1247 CD PRO A 79 4.775 4.555 8.832 1.00 0.00 C ATOM 0 HA PRO A 79 4.716 5.779 11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.591 4.031 11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.670 5.607 10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.505 2.925 9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.652 4.227 8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.360 3.803 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.640 5.393 8.148 1.00 0.00 H new ATOM 1255 N VAL A 80 4.859 4.116 13.551 1.00 0.00 N ATOM 1256 CA VAL A 80 5.061 3.116 14.587 1.00 0.00 C ATOM 1257 C VAL A 80 3.734 2.401 14.622 1.00 0.00 C ATOM 1258 O VAL A 80 2.710 3.047 14.843 1.00 0.00 O ATOM 1259 CB VAL A 80 5.419 3.717 15.955 1.00 0.00 C ATOM 1260 CG1 VAL A 80 5.526 2.602 16.988 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.730 4.477 15.844 1.00 0.00 C ATOM 0 H VAL A 80 4.661 5.056 13.895 1.00 0.00 H new ATOM 0 HA VAL A 80 5.908 2.465 14.370 1.00 0.00 H new ATOM 0 HB VAL A 80 4.640 4.410 16.273 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.780 3.028 17.959 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.572 2.080 17.060 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.303 1.899 16.686 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.986 4.904 16.813 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.520 3.796 15.528 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.626 5.277 15.111 1.00 0.00 H new ATOM 1271 N HIS A 81 3.756 1.095 14.418 1.00 0.00 N ATOM 1272 CA HIS A 81 2.529 0.327 14.308 1.00 0.00 C ATOM 1273 C HIS A 81 2.803 -1.160 14.486 1.00 0.00 C ATOM 1274 O HIS A 81 3.860 -1.618 14.062 1.00 0.00 O ATOM 1275 CB HIS A 81 1.923 0.564 12.922 1.00 0.00 C ATOM 1276 CG HIS A 81 0.565 -0.004 12.704 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.343 -1.345 12.475 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.645 0.587 12.671 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -0.951 -1.548 12.322 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.569 -0.393 12.431 1.00 0.00 N ATOM 0 H HIS A 81 4.610 0.545 14.325 1.00 0.00 H new ATOM 0 HA HIS A 81 1.839 0.648 15.089 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.880 1.638 12.744 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.596 0.144 12.175 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.848 1.639 12.808 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.423 -2.502 12.138 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.576 -0.250 12.350 1.00 0.00 H new ATOM 1288 N PRO A 82 1.908 -1.956 15.079 1.00 0.00 N ATOM 1289 CA PRO A 82 2.099 -3.388 15.198 1.00 0.00 C ATOM 1290 C PRO A 82 2.485 -4.122 13.904 1.00 0.00 C ATOM 1291 O PRO A 82 3.223 -5.110 13.969 1.00 0.00 O ATOM 1292 CB PRO A 82 0.715 -3.791 15.720 1.00 0.00 C ATOM 1293 CG PRO A 82 0.269 -2.604 16.535 1.00 0.00 C ATOM 1294 CD PRO A 82 0.779 -1.377 15.826 1.00 0.00 C ATOM 0 HA PRO A 82 2.946 -3.656 15.829 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.024 -3.995 14.902 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.766 -4.695 16.327 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.817 -2.579 16.620 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.667 -2.659 17.548 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.030 -0.935 15.170 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.095 -0.598 16.519 1.00 0.00 H new ATOM 1302 N HIS A 83 2.012 -3.648 12.750 1.00 0.00 N ATOM 1303 CA HIS A 83 2.323 -4.241 11.455 1.00 0.00 C ATOM 1304 C HIS A 83 3.302 -3.418 10.609 1.00 0.00 C ATOM 1305 O HIS A 83 3.482 -3.692 9.422 1.00 0.00 O ATOM 1306 CB HIS A 83 1.020 -4.429 10.681 1.00 0.00 C ATOM 1307 CG HIS A 83 0.091 -5.386 11.356 1.00 0.00 C ATOM 1308 ND1 HIS A 83 -0.756 -5.004 12.375 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -0.128 -6.707 11.164 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -1.455 -6.048 12.780 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -1.094 -7.093 12.061 1.00 0.00 N ATOM 0 H HIS A 83 1.398 -2.836 12.691 1.00 0.00 H new ATOM 0 HA HIS A 83 2.819 -5.191 11.652 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.525 -3.464 10.568 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.245 -4.791 9.678 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.365 -7.340 10.441 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.196 -6.047 13.566 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.471 -8.036 12.156 1.00 0.00 H new ATOM 1319 N VAL A 84 3.957 -2.406 11.181 1.00 0.00 N ATOM 1320 CA VAL A 84 4.887 -1.621 10.371 1.00 0.00 C ATOM 1321 C VAL A 84 6.272 -1.610 10.994 1.00 0.00 C ATOM 1322 O VAL A 84 6.451 -1.310 12.175 1.00 0.00 O ATOM 1323 CB VAL A 84 4.419 -0.167 10.165 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.452 0.587 9.333 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.065 -0.163 9.475 1.00 0.00 C ATOM 0 H VAL A 84 3.868 -2.120 12.156 1.00 0.00 H new ATOM 0 HA VAL A 84 4.920 -2.107 9.396 1.00 0.00 H new ATOM 0 HB VAL A 84 4.319 0.331 11.130 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.121 1.615 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.410 0.584 9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.564 0.101 8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.734 0.865 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.148 -0.658 8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.340 -0.693 10.093 1.00 0.00 H new ATOM 1335 N TYR A 85 7.260 -1.930 10.175 1.00 0.00 N ATOM 1336 CA TYR A 85 8.637 -1.979 10.622 1.00 0.00 C ATOM 1337 C TYR A 85 9.316 -0.674 10.264 1.00 0.00 C ATOM 1338 O TYR A 85 8.901 -0.006 9.318 1.00 0.00 O ATOM 1339 CB TYR A 85 9.323 -3.169 9.982 1.00 0.00 C ATOM 1340 CG TYR A 85 8.709 -4.470 10.452 1.00 0.00 C ATOM 1341 CD1 TYR A 85 7.602 -4.988 9.795 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.241 -5.146 11.538 1.00 0.00 C ATOM 1343 CE1 TYR A 85 7.027 -6.170 10.210 1.00 0.00 C ATOM 1344 CE2 TYR A 85 8.668 -6.331 11.958 1.00 0.00 C ATOM 1345 CZ TYR A 85 7.568 -6.843 11.298 1.00 0.00 C ATOM 1346 OH TYR A 85 7.003 -8.024 11.722 1.00 0.00 O ATOM 0 H TYR A 85 7.129 -2.161 9.190 1.00 0.00 H new ATOM 0 HA TYR A 85 8.692 -2.103 11.704 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.245 -3.098 8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.385 -3.155 10.227 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.187 -4.460 8.950 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.101 -4.748 12.055 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.165 -6.568 9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.081 -6.859 12.805 1.00 0.00 H new ATOM 0 HH TYR A 85 7.501 -8.367 12.493 1.00 0.00 H new ATOM 1356 N SER A 86 10.367 -0.321 11.003 1.00 0.00 N ATOM 1357 CA SER A 86 11.082 0.945 10.826 1.00 0.00 C ATOM 1358 C SER A 86 11.769 1.099 9.474 1.00 0.00 C ATOM 1359 O SER A 86 12.123 2.211 9.081 1.00 0.00 O ATOM 1360 CB SER A 86 12.126 1.091 11.912 1.00 0.00 C ATOM 1361 OG SER A 86 13.142 0.138 11.759 1.00 0.00 O ATOM 0 H SER A 86 10.749 -0.907 11.745 1.00 0.00 H new ATOM 0 HA SER A 86 10.321 1.723 10.883 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.554 2.093 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.658 0.976 12.890 1.00 0.00 H new ATOM 0 HG SER A 86 13.807 0.251 12.470 1.00 0.00 H new ATOM 1367 N ASN A 87 11.968 -0.009 8.765 1.00 0.00 N ATOM 1368 CA ASN A 87 12.532 0.019 7.427 1.00 0.00 C ATOM 1369 C ASN A 87 11.455 0.151 6.346 1.00 0.00 C ATOM 1370 O ASN A 87 11.768 0.050 5.159 1.00 0.00 O ATOM 1371 CB ASN A 87 13.357 -1.230 7.205 1.00 0.00 C ATOM 1372 CG ASN A 87 12.526 -2.485 7.217 1.00 0.00 C ATOM 1373 OD1 ASN A 87 11.291 -2.457 7.289 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.196 -3.607 7.149 1.00 0.00 N ATOM 0 H ASN A 87 11.743 -0.945 9.103 1.00 0.00 H new ATOM 0 HA ASN A 87 13.167 0.901 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.877 -1.152 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.121 -1.298 7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.700 -4.498 7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.214 -3.590 7.091 1.00 0.00 H new ATOM 1381 N GLY A 88 10.198 0.365 6.743 1.00 0.00 N ATOM 1382 CA GLY A 88 9.094 0.540 5.815 1.00 0.00 C ATOM 1383 C GLY A 88 8.286 -0.731 5.556 1.00 0.00 C ATOM 1384 O GLY A 88 7.247 -0.671 4.901 1.00 0.00 O ATOM 0 H GLY A 88 9.923 0.421 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.426 1.309 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.486 0.908 4.867 1.00 0.00 H new ATOM 1388 N HIS A 89 8.728 -1.886 6.050 1.00 0.00 N ATOM 1389 CA HIS A 89 7.984 -3.112 5.768 1.00 0.00 C ATOM 1390 C HIS A 89 6.568 -3.113 6.339 1.00 0.00 C ATOM 1391 O HIS A 89 6.313 -2.732 7.482 1.00 0.00 O ATOM 1392 CB HIS A 89 8.747 -4.337 6.282 1.00 0.00 C ATOM 1393 CG HIS A 89 8.122 -5.648 5.924 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.020 -6.150 6.584 1.00 0.00 N ATOM 1395 CD2 HIS A 89 8.443 -6.561 4.980 1.00 0.00 C ATOM 1396 CE1 HIS A 89 6.691 -7.317 6.059 1.00 0.00 C ATOM 1397 NE2 HIS A 89 7.539 -7.589 5.085 1.00 0.00 N ATOM 0 H HIS A 89 9.563 -1.999 6.625 1.00 0.00 H new ATOM 0 HA HIS A 89 7.888 -3.158 4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.762 -4.311 5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.828 -4.271 7.367 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.258 -6.494 4.275 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.868 -7.942 6.373 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.525 -8.427 4.504 1.00 0.00 H new ATOM 1405 N ILE A 90 5.636 -3.559 5.501 1.00 0.00 N ATOM 1406 CA ILE A 90 4.226 -3.623 5.857 1.00 0.00 C ATOM 1407 C ILE A 90 3.719 -5.051 5.959 1.00 0.00 C ATOM 1408 O ILE A 90 3.636 -5.758 4.954 1.00 0.00 O ATOM 1409 CB ILE A 90 3.365 -2.899 4.807 1.00 0.00 C ATOM 1410 CG1 ILE A 90 3.791 -1.444 4.709 1.00 0.00 C ATOM 1411 CG2 ILE A 90 1.897 -2.995 5.174 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.128 -0.703 3.578 1.00 0.00 C ATOM 0 H ILE A 90 5.840 -3.886 4.556 1.00 0.00 H new ATOM 0 HA ILE A 90 4.141 -3.141 6.831 1.00 0.00 H new ATOM 0 HB ILE A 90 3.510 -3.377 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.560 -0.941 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.872 -1.397 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.300 -2.479 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.600 -4.043 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.734 -2.533 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.477 0.330 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.380 -1.182 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.047 -0.719 3.717 1.00 0.00 H new ATOM 1424 N CYS A 91 3.325 -5.481 7.157 1.00 0.00 N ATOM 1425 CA CYS A 91 2.826 -6.839 7.359 1.00 0.00 C ATOM 1426 C CYS A 91 1.348 -6.962 6.978 1.00 0.00 C ATOM 1427 O CYS A 91 0.487 -7.186 7.829 1.00 0.00 O ATOM 1428 CB CYS A 91 3.030 -7.266 8.811 1.00 0.00 C ATOM 1429 SG CYS A 91 2.509 -8.964 9.158 1.00 0.00 S ATOM 0 H CYS A 91 3.342 -4.909 8.001 1.00 0.00 H new ATOM 0 HA CYS A 91 3.395 -7.500 6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.085 -7.161 9.065 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.477 -6.587 9.460 1.00 0.00 H new ATOM 0 HG CYS A 91 1.308 -9.152 8.697 1.00 0.00 H new ATOM 1435 N LEU A 92 1.077 -6.808 5.686 1.00 0.00 N ATOM 1436 CA LEU A 92 -0.257 -6.869 5.110 1.00 0.00 C ATOM 1437 C LEU A 92 -0.486 -8.174 4.373 1.00 0.00 C ATOM 1438 O LEU A 92 0.290 -8.548 3.491 1.00 0.00 O ATOM 1439 CB LEU A 92 -0.474 -5.675 4.176 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.785 -5.635 3.387 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -2.952 -5.500 4.350 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.752 -4.451 2.430 1.00 0.00 C ATOM 0 H LEU A 92 1.803 -6.632 4.992 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.982 -6.824 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.410 -4.764 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.350 -5.649 3.463 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.905 -6.556 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.886 -5.471 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.963 -6.352 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.846 -4.579 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.683 -4.415 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.637 -3.528 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.913 -4.562 1.743 1.00 0.00 H new ATOM 1454 N SER A 93 -1.571 -8.846 4.755 1.00 0.00 N ATOM 1455 CA SER A 93 -1.969 -10.139 4.216 1.00 0.00 C ATOM 1456 C SER A 93 -2.044 -10.148 2.702 1.00 0.00 C ATOM 1457 O SER A 93 -1.550 -11.087 2.070 1.00 0.00 O ATOM 1458 CB SER A 93 -3.320 -10.539 4.777 1.00 0.00 C ATOM 1459 OG SER A 93 -3.249 -10.762 6.158 1.00 0.00 O ATOM 0 H SER A 93 -2.212 -8.494 5.466 1.00 0.00 H new ATOM 0 HA SER A 93 -1.200 -10.852 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.049 -9.756 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.671 -11.442 4.278 1.00 0.00 H new ATOM 0 HG SER A 93 -4.134 -11.017 6.494 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.602 -9.089 2.107 1.00 0.00 N ATOM 1466 CA ILE A 94 -2.699 -9.075 0.658 1.00 0.00 C ATOM 1467 C ILE A 94 -1.467 -8.517 -0.037 1.00 0.00 C ATOM 1468 O ILE A 94 -1.585 -7.839 -1.055 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.911 -8.278 0.154 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -3.796 -6.809 0.553 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -5.180 -8.892 0.719 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -4.816 -5.925 -0.128 1.00 0.00 C ATOM 0 H ILE A 94 -2.976 -8.269 2.586 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.805 -10.129 0.402 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.944 -8.322 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.913 -6.722 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.795 -6.451 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.045 -8.331 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.261 -9.928 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.147 -8.859 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.680 -4.894 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.685 -5.983 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.820 -6.259 0.134 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.288 -8.723 0.530 1.00 0.00 N ATOM 1485 CA LEU A 95 0.929 -8.504 -0.213 1.00 0.00 C ATOM 1486 C LEU A 95 1.494 -9.904 -0.459 1.00 0.00 C ATOM 1487 O LEU A 95 2.488 -10.067 -1.171 1.00 0.00 O ATOM 1488 CB LEU A 95 1.903 -7.594 0.535 1.00 0.00 C ATOM 1489 CG LEU A 95 1.353 -6.191 0.798 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.365 -5.380 1.602 1.00 0.00 C ATOM 1491 CD2 LEU A 95 1.033 -5.545 -0.540 1.00 0.00 C ATOM 0 H LEU A 95 -0.155 -9.038 1.491 1.00 0.00 H new ATOM 0 HA LEU A 95 0.748 -7.979 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.162 -8.058 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.825 -7.512 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 95 0.439 -6.235 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.968 -4.382 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.555 -5.876 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.296 -5.302 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.639 -4.542 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.940 -5.484 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.290 -6.145 -1.065 1.00 0.00 H new ATOM 1503 N THR A 96 0.834 -10.929 0.105 1.00 0.00 N ATOM 1504 CA THR A 96 1.294 -12.303 -0.013 1.00 0.00 C ATOM 1505 C THR A 96 0.225 -13.142 -0.714 1.00 0.00 C ATOM 1506 O THR A 96 -0.382 -12.693 -1.687 1.00 0.00 O ATOM 1507 CB THR A 96 1.582 -12.910 1.373 1.00 0.00 C ATOM 1508 OG1 THR A 96 0.343 -13.086 2.075 1.00 0.00 O ATOM 1509 CG2 THR A 96 2.456 -11.964 2.181 1.00 0.00 C ATOM 0 H THR A 96 -0.023 -10.820 0.648 1.00 0.00 H new ATOM 0 HA THR A 96 2.216 -12.306 -0.594 1.00 0.00 H new ATOM 0 HB THR A 96 2.091 -13.865 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.196 -12.271 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.656 -12.400 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.398 -11.802 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.942 -11.011 2.306 1.00 0.00 H new ATOM 1517 N GLU A 97 -0.032 -14.340 -0.182 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.947 -15.325 -0.754 1.00 0.00 C ATOM 1519 C GLU A 97 -2.405 -14.891 -0.816 1.00 0.00 C ATOM 1520 O GLU A 97 -3.153 -15.373 -1.667 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.857 -16.626 0.043 1.00 0.00 C ATOM 1522 CG GLU A 97 0.463 -17.369 -0.116 1.00 0.00 C ATOM 1523 CD GLU A 97 0.531 -18.628 0.703 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -0.358 -18.857 1.487 1.00 0.00 O ATOM 1525 OE2 GLU A 97 1.478 -19.363 0.545 1.00 0.00 O ATOM 0 H GLU A 97 0.404 -14.658 0.683 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.624 -15.453 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.010 -16.403 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.670 -17.284 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.609 -17.618 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.282 -16.710 0.173 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.821 -14.002 0.080 1.00 0.00 N ATOM 1533 CA ASP A 98 -4.191 -13.511 0.057 1.00 0.00 C ATOM 1534 C ASP A 98 -4.442 -12.496 -1.060 1.00 0.00 C ATOM 1535 O ASP A 98 -5.596 -12.150 -1.318 1.00 0.00 O ATOM 1536 CB ASP A 98 -4.564 -12.912 1.411 1.00 0.00 C ATOM 1537 CG ASP A 98 -4.693 -13.987 2.483 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -4.843 -15.134 2.130 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -4.649 -13.657 3.643 1.00 0.00 O ATOM 0 H ASP A 98 -2.238 -13.612 0.820 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.829 -14.371 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.806 -12.188 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.506 -12.370 1.323 1.00 0.00 H new ATOM 1544 N TRP A 99 -3.390 -11.998 -1.714 1.00 0.00 N ATOM 1545 CA TRP A 99 -3.594 -11.056 -2.799 1.00 0.00 C ATOM 1546 C TRP A 99 -4.045 -11.841 -4.023 1.00 0.00 C ATOM 1547 O TRP A 99 -3.563 -12.949 -4.262 1.00 0.00 O ATOM 1548 CB TRP A 99 -2.336 -10.271 -3.145 1.00 0.00 C ATOM 1549 CG TRP A 99 -2.587 -9.142 -4.107 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -2.960 -7.863 -3.810 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -2.492 -9.198 -5.545 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -3.096 -7.127 -4.959 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -2.819 -7.928 -6.030 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.163 -10.212 -6.442 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -2.832 -7.639 -7.381 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.175 -9.918 -7.789 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.500 -8.670 -8.251 1.00 0.00 C ATOM 0 H TRP A 99 -2.417 -12.227 -1.514 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.343 -10.331 -2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -1.903 -9.869 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.599 -10.949 -3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.125 -7.485 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -3.361 -6.143 -5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -1.906 -11.201 -6.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -3.089 -6.655 -7.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.922 -10.692 -8.498 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.498 -8.484 -9.315 1.00 0.00 H new ATOM 1568 N SER A 100 -4.958 -11.277 -4.801 1.00 0.00 N ATOM 1569 CA SER A 100 -5.439 -11.948 -5.997 1.00 0.00 C ATOM 1570 C SER A 100 -5.615 -10.893 -7.089 1.00 0.00 C ATOM 1571 O SER A 100 -5.719 -9.719 -6.745 1.00 0.00 O ATOM 1572 CB SER A 100 -6.757 -12.647 -5.693 1.00 0.00 C ATOM 1573 OG SER A 100 -7.768 -11.719 -5.408 1.00 0.00 O ATOM 0 H SER A 100 -5.377 -10.364 -4.626 1.00 0.00 H new ATOM 0 HA SER A 100 -4.730 -12.704 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.052 -13.260 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.628 -13.320 -4.845 1.00 0.00 H new ATOM 0 HG SER A 100 -8.604 -12.194 -5.218 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.665 -11.268 -8.381 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.836 -10.390 -9.538 1.00 0.00 C ATOM 1581 C PRO A 101 -7.029 -9.434 -9.487 1.00 0.00 C ATOM 1582 O PRO A 101 -7.050 -8.425 -10.193 1.00 0.00 O ATOM 1583 CB PRO A 101 -6.000 -11.425 -10.660 1.00 0.00 C ATOM 1584 CG PRO A 101 -5.242 -12.633 -10.187 1.00 0.00 C ATOM 1585 CD PRO A 101 -5.438 -12.686 -8.694 1.00 0.00 C ATOM 0 HA PRO A 101 -5.006 -9.690 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.051 -11.660 -10.830 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.600 -11.052 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.616 -13.540 -10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.185 -12.554 -10.439 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.287 -13.310 -8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.564 -13.086 -8.179 1.00 0.00 H new ATOM 1593 N ALA A 102 -8.035 -9.763 -8.676 1.00 0.00 N ATOM 1594 CA ALA A 102 -9.219 -8.942 -8.460 1.00 0.00 C ATOM 1595 C ALA A 102 -8.912 -7.702 -7.613 1.00 0.00 C ATOM 1596 O ALA A 102 -9.731 -6.784 -7.545 1.00 0.00 O ATOM 1597 CB ALA A 102 -10.295 -9.772 -7.782 1.00 0.00 C ATOM 0 H ALA A 102 -8.046 -10.630 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.567 -8.597 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.181 -9.158 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.553 -10.621 -8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.925 -10.134 -6.823 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.751 -7.678 -6.962 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.322 -6.568 -6.131 1.00 0.00 C ATOM 1605 C LEU A 103 -6.444 -5.620 -6.934 1.00 0.00 C ATOM 1606 O LEU A 103 -5.973 -5.955 -8.022 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.586 -7.082 -4.895 1.00 0.00 C ATOM 1608 CG LEU A 103 -7.405 -8.009 -3.994 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -6.532 -8.469 -2.843 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -8.635 -7.269 -3.495 1.00 0.00 C ATOM 0 H LEU A 103 -7.076 -8.442 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.201 -6.018 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.690 -7.612 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.255 -6.227 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.740 -8.886 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.105 -9.131 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.667 -9.004 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.196 -7.603 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.220 -7.927 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.326 -6.390 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.242 -6.958 -4.345 1.00 0.00 H new ATOM 1622 N SER A 104 -6.235 -4.431 -6.383 1.00 0.00 N ATOM 1623 CA SER A 104 -5.517 -3.364 -7.065 1.00 0.00 C ATOM 1624 C SER A 104 -4.674 -2.523 -6.134 1.00 0.00 C ATOM 1625 O SER A 104 -4.689 -2.739 -4.924 1.00 0.00 O ATOM 1626 CB SER A 104 -6.520 -2.446 -7.726 1.00 0.00 C ATOM 1627 OG SER A 104 -7.265 -1.748 -6.759 1.00 0.00 O ATOM 0 H SER A 104 -6.559 -4.180 -5.449 1.00 0.00 H new ATOM 0 HA SER A 104 -4.852 -3.842 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.002 -1.739 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.190 -3.027 -8.360 1.00 0.00 H new ATOM 0 HG SER A 104 -8.010 -1.282 -7.193 1.00 0.00 H new ATOM 1633 N VAL A 105 -3.966 -1.559 -6.724 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.128 -0.604 -6.005 1.00 0.00 C ATOM 1635 C VAL A 105 -3.995 0.108 -4.985 1.00 0.00 C ATOM 1636 O VAL A 105 -3.578 0.288 -3.842 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.497 0.415 -6.975 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -1.798 1.530 -6.215 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.513 -0.312 -7.869 1.00 0.00 C ATOM 0 H VAL A 105 -3.960 -1.419 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.313 -1.131 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.281 0.871 -7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.362 2.235 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.520 2.049 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.010 1.107 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.058 0.397 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.736 -0.771 -7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.036 -1.085 -8.432 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.184 0.509 -5.435 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.205 1.141 -4.619 1.00 0.00 C ATOM 1651 C GLN A 106 -6.578 0.294 -3.427 1.00 0.00 C ATOM 1652 O GLN A 106 -6.568 0.791 -2.301 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.476 1.383 -5.425 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.576 2.060 -4.638 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.860 2.241 -5.424 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.032 1.667 -6.502 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.775 3.040 -4.888 1.00 0.00 N ATOM 0 H GLN A 106 -5.466 0.397 -6.409 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.779 2.085 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.234 1.995 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.845 0.428 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.786 1.473 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.224 3.036 -4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.593 3.496 -3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.660 3.198 -5.370 1.00 0.00 H new ATOM 1666 N SER A 107 -6.905 -0.981 -3.670 1.00 0.00 N ATOM 1667 CA SER A 107 -7.303 -1.819 -2.544 1.00 0.00 C ATOM 1668 C SER A 107 -6.158 -2.057 -1.565 1.00 0.00 C ATOM 1669 O SER A 107 -6.415 -2.246 -0.375 1.00 0.00 O ATOM 1670 CB SER A 107 -7.819 -3.160 -3.028 1.00 0.00 C ATOM 1671 OG SER A 107 -6.787 -3.927 -3.578 1.00 0.00 O ATOM 0 H SER A 107 -6.903 -1.432 -4.585 1.00 0.00 H new ATOM 0 HA SER A 107 -8.094 -1.279 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.274 -3.699 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.599 -3.006 -3.774 1.00 0.00 H new ATOM 0 HG SER A 107 -6.062 -3.337 -3.873 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.913 -2.032 -2.048 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.767 -2.166 -1.162 1.00 0.00 C ATOM 1679 C VAL A 108 -3.604 -0.920 -0.314 1.00 0.00 C ATOM 1680 O VAL A 108 -3.402 -1.050 0.891 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.461 -2.432 -1.924 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.308 -2.364 -0.942 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.481 -3.811 -2.569 1.00 0.00 C ATOM 0 H VAL A 108 -4.680 -1.922 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.965 -3.029 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.349 -1.683 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.371 -2.551 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.277 -1.375 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.446 -3.117 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.545 -3.976 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.598 -4.572 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.314 -3.873 -3.269 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.690 0.267 -0.919 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.557 1.495 -0.143 1.00 0.00 C ATOM 1695 C CYS A 109 -4.659 1.623 0.885 1.00 0.00 C ATOM 1696 O CYS A 109 -4.385 2.041 2.007 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.619 2.748 -1.016 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.191 3.030 -2.074 1.00 0.00 S ATOM 0 H CYS A 109 -3.847 0.400 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.581 1.424 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.508 2.688 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.745 3.615 -0.368 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.462 2.635 -3.283 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.885 1.267 0.509 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.006 1.331 1.429 1.00 0.00 C ATOM 1706 C LEU A 110 -6.850 0.313 2.548 1.00 0.00 C ATOM 1707 O LEU A 110 -7.267 0.586 3.674 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.312 1.100 0.667 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.699 2.226 -0.302 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.915 1.799 -1.110 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -8.986 3.489 0.493 1.00 0.00 C ATOM 0 H LEU A 110 -6.122 0.933 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.030 2.322 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.229 0.169 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.118 0.967 1.388 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.882 2.429 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.192 2.597 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.678 0.897 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.747 1.597 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.262 4.293 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.806 3.304 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.096 3.777 1.053 1.00 0.00 H new ATOM 1723 N SER A 111 -6.279 -0.856 2.237 1.00 0.00 N ATOM 1724 CA SER A 111 -6.006 -1.870 3.244 1.00 0.00 C ATOM 1725 C SER A 111 -4.963 -1.366 4.234 1.00 0.00 C ATOM 1726 O SER A 111 -5.087 -1.635 5.427 1.00 0.00 O ATOM 1727 CB SER A 111 -5.534 -3.152 2.592 1.00 0.00 C ATOM 1728 OG SER A 111 -6.549 -3.717 1.807 1.00 0.00 O ATOM 0 H SER A 111 -5.999 -1.117 1.292 1.00 0.00 H new ATOM 0 HA SER A 111 -6.930 -2.077 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.660 -2.950 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.224 -3.862 3.359 1.00 0.00 H new ATOM 0 HG SER A 111 -6.601 -3.244 0.950 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.943 -0.664 3.737 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.901 -0.044 4.552 1.00 0.00 C ATOM 1736 C ILE A 112 -3.487 1.052 5.433 1.00 0.00 C ATOM 1737 O ILE A 112 -3.092 1.177 6.591 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.768 0.495 3.669 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -1.044 -0.693 3.042 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.805 1.335 4.488 1.00 0.00 C ATOM 1741 CD1 ILE A 112 -0.110 -0.313 1.928 1.00 0.00 C ATOM 0 H ILE A 112 -3.817 -0.508 2.737 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.477 -0.806 5.206 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.179 1.134 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.479 -1.213 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.783 -1.397 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.009 1.708 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.340 2.177 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.374 0.724 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.368 -1.209 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.672 0.179 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.652 0.367 2.308 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.379 1.871 4.882 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.065 2.889 5.665 1.00 0.00 C ATOM 1755 C ILE A 113 -5.885 2.249 6.775 1.00 0.00 C ATOM 1756 O ILE A 113 -5.855 2.733 7.909 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.989 3.750 4.787 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.150 4.612 3.847 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.881 4.603 5.668 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.941 5.276 2.744 1.00 0.00 C ATOM 0 H ILE A 113 -4.642 1.848 3.897 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.299 3.531 6.099 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.626 3.107 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.646 5.382 4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.374 3.992 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.534 5.212 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.486 3.958 6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.265 5.253 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.271 5.869 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.424 4.513 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.700 5.925 3.181 1.00 0.00 H new ATOM 1772 N SER A 114 -6.630 1.194 6.431 1.00 0.00 N ATOM 1773 CA SER A 114 -7.438 0.452 7.387 1.00 0.00 C ATOM 1774 C SER A 114 -6.551 -0.130 8.478 1.00 0.00 C ATOM 1775 O SER A 114 -6.909 -0.050 9.657 1.00 0.00 O ATOM 1776 CB SER A 114 -8.193 -0.665 6.688 1.00 0.00 C ATOM 1777 OG SER A 114 -9.128 -0.158 5.774 1.00 0.00 O ATOM 0 H SER A 114 -6.686 0.835 5.478 1.00 0.00 H new ATOM 0 HA SER A 114 -8.158 1.135 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.487 -1.313 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.703 -1.280 7.429 1.00 0.00 H new ATOM 0 HG SER A 114 -8.663 0.155 4.970 1.00 0.00 H new ATOM 1783 N MET A 115 -5.408 -0.685 8.069 1.00 0.00 N ATOM 1784 CA MET A 115 -4.398 -1.240 8.951 1.00 0.00 C ATOM 1785 C MET A 115 -3.955 -0.199 9.955 1.00 0.00 C ATOM 1786 O MET A 115 -3.987 -0.461 11.160 1.00 0.00 O ATOM 1787 CB MET A 115 -3.190 -1.720 8.149 1.00 0.00 C ATOM 1788 CG MET A 115 -2.051 -2.283 8.976 1.00 0.00 C ATOM 1789 SD MET A 115 -0.578 -2.568 7.984 1.00 0.00 S ATOM 1790 CE MET A 115 -0.113 -0.850 7.763 1.00 0.00 C ATOM 0 H MET A 115 -5.159 -0.759 7.083 1.00 0.00 H new ATOM 0 HA MET A 115 -4.833 -2.089 9.478 1.00 0.00 H new ATOM 0 HB2 MET A 115 -3.521 -2.485 7.446 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.811 -0.886 7.558 1.00 0.00 H new ATOM 0 HG2 MET A 115 -1.815 -1.593 9.786 1.00 0.00 H new ATOM 0 HG3 MET A 115 -2.365 -3.220 9.436 1.00 0.00 H new ATOM 0 HE1 MET A 115 0.882 -0.796 7.320 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.830 -0.361 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 115 -0.107 -0.347 8.730 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.581 0.983 9.466 1.00 0.00 N ATOM 1801 CA LEU A 116 -3.162 2.054 10.349 1.00 0.00 C ATOM 1802 C LEU A 116 -4.283 2.446 11.313 1.00 0.00 C ATOM 1803 O LEU A 116 -4.031 2.605 12.507 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.715 3.272 9.523 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.399 3.140 8.732 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.222 4.371 7.853 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -0.230 2.996 9.693 1.00 0.00 C ATOM 0 H LEU A 116 -3.562 1.215 8.473 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.320 1.698 10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.511 3.513 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.620 4.122 10.199 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.434 2.252 8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.293 4.285 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.060 4.447 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.186 5.263 8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.697 2.903 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.177 3.875 10.335 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.371 2.106 10.307 1.00 0.00 H new ATOM 1819 N SER A 117 -5.532 2.532 10.850 1.00 0.00 N ATOM 1820 CA SER A 117 -6.601 2.906 11.774 1.00 0.00 C ATOM 1821 C SER A 117 -6.901 1.830 12.819 1.00 0.00 C ATOM 1822 O SER A 117 -7.458 2.140 13.873 1.00 0.00 O ATOM 1823 CB SER A 117 -7.887 3.192 11.028 1.00 0.00 C ATOM 1824 OG SER A 117 -8.452 2.011 10.531 1.00 0.00 O ATOM 0 H SER A 117 -5.819 2.357 9.887 1.00 0.00 H new ATOM 0 HA SER A 117 -6.237 3.797 12.285 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.595 3.686 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.689 3.879 10.205 1.00 0.00 H new ATOM 0 HG SER A 117 -7.746 1.346 10.387 1.00 0.00 H new ATOM 1830 N SER A 118 -6.553 0.570 12.539 1.00 0.00 N ATOM 1831 CA SER A 118 -6.759 -0.505 13.505 1.00 0.00 C ATOM 1832 C SER A 118 -5.719 -0.545 14.627 1.00 0.00 C ATOM 1833 O SER A 118 -5.896 -1.338 15.554 1.00 0.00 O ATOM 1834 CB SER A 118 -6.731 -1.867 12.836 1.00 0.00 C ATOM 1835 OG SER A 118 -5.432 -2.237 12.461 1.00 0.00 O ATOM 0 H SER A 118 -6.131 0.275 11.658 1.00 0.00 H new ATOM 0 HA SER A 118 -7.736 -0.287 13.935 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.140 -2.614 13.516 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.373 -1.853 11.955 1.00 0.00 H new ATOM 0 HG SER A 118 -4.999 -1.488 12.001 1.00 0.00 H new