USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 873 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 41 MET CE :methyl -177:sc= -0.221 (180deg=-0.266) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.169 X(o=0.44,f=0.34) USER MOD Set 2.2: A 61 THR OG1 : rot 87:sc= 0.955 USER MOD Set 2.3: A 64 HIS : no HE2:sc= -0.681 K(o=0.44,f=-3.9!) USER MOD Set 2.4: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 77 SER OG : rot 4:sc= 1.1 USER MOD Set 3.2: A 79 SER OG : rot 67:sc= 0.152 USER MOD Single : A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0334) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= -0.0145 (180deg=-0.0975) USER MOD Single : A 28 HIS : no HE2:sc= 0.162 K(o=0.16,f=-3.8!) USER MOD Single : A 29 SER OG : rot -130:sc= -0.158 USER MOD Single : A 35 SER OG : rot 70:sc= 1.2 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.799 F(o=-2.2!,f=-0.8) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc=-0.00764 X(o=-0.0076,f=-0.1) USER MOD Single : A 69 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 71 MET CE :methyl 171:sc= -0.754 (180deg=-0.869) USER MOD Single : A 75 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.39) USER MOD Single : A 85 THR OG1 : rot -120:sc= -0.0566 USER MOD Single : A 89 SER OG : rot -86:sc= 1.13 USER MOD Single : A 93 GLN : amide:sc= 0.792 K(o=0.79,f=-2.8!) USER MOD Single : A 95 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.1!) USER MOD Single : A 112 THR OG1 : rot 120:sc=-0.00804 USER MOD Single : A 114 SER OG : rot -51:sc= 0.0178 USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 119 SER OG : rot -56:sc= 0.302 USER MOD Single : A 121 TYR OH : rot 30:sc= 0.425 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 73:sc= 0.0176 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 7.295 29.282 -2.187 1.00 0.00 N ATOM 2 CA MET A 23 6.240 28.272 -2.340 1.00 0.00 C ATOM 3 C MET A 23 6.786 26.943 -1.848 1.00 0.00 C ATOM 4 O MET A 23 7.952 26.634 -2.114 1.00 0.00 O ATOM 5 CB MET A 23 5.779 28.178 -3.799 1.00 0.00 C ATOM 6 CG MET A 23 4.515 27.329 -3.973 1.00 0.00 C ATOM 7 SD MET A 23 4.141 26.879 -5.690 1.00 0.00 S ATOM 8 CE MET A 23 3.877 28.514 -6.420 1.00 0.00 C ATOM 0 HA MET A 23 5.366 28.552 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.591 29.182 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.582 27.753 -4.401 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.622 26.416 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.666 27.875 -3.561 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.568 28.403 -7.459 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.100 29.039 -5.864 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.804 29.086 -6.377 1.00 0.00 H new ATOM 20 N LYS A 24 5.965 26.140 -1.164 1.00 0.00 N ATOM 21 CA LYS A 24 6.293 24.743 -0.924 1.00 0.00 C ATOM 22 C LYS A 24 5.077 23.860 -1.133 1.00 0.00 C ATOM 23 O LYS A 24 4.150 23.847 -0.317 1.00 0.00 O ATOM 24 CB LYS A 24 6.964 24.523 0.447 1.00 0.00 C ATOM 25 CG LYS A 24 8.312 23.811 0.261 1.00 0.00 C ATOM 26 CD LYS A 24 8.201 22.352 -0.218 1.00 0.00 C ATOM 27 CE LYS A 24 9.521 21.799 -0.773 1.00 0.00 C ATOM 28 NZ LYS A 24 10.667 22.034 0.124 1.00 0.00 N ATOM 0 H LYS A 24 5.072 26.438 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 24 7.038 24.446 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.114 25.480 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.314 23.928 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.909 24.372 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.852 23.830 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.873 21.727 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.433 22.286 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.416 20.728 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.723 22.259 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.271 21.188 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.219 22.845 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.321 22.236 1.084 1.00 0.00 H new ATOM 42 N VAL A 25 5.072 23.163 -2.256 1.00 0.00 N ATOM 43 CA VAL A 25 4.154 22.090 -2.568 1.00 0.00 C ATOM 44 C VAL A 25 4.861 20.809 -2.102 1.00 0.00 C ATOM 45 O VAL A 25 6.026 20.622 -2.456 1.00 0.00 O ATOM 46 CB VAL A 25 3.872 22.108 -4.081 1.00 0.00 C ATOM 47 CG1 VAL A 25 2.971 20.942 -4.491 1.00 0.00 C ATOM 48 CG2 VAL A 25 3.175 23.418 -4.492 1.00 0.00 C ATOM 0 H VAL A 25 5.739 23.341 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 25 3.185 22.176 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 25 4.835 22.022 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.790 20.982 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.458 20.000 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.021 21.012 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.986 23.408 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.229 23.510 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.816 24.264 -4.244 1.00 0.00 H new ATOM 58 N PRO A 26 4.223 19.929 -1.309 1.00 0.00 N ATOM 59 CA PRO A 26 4.798 18.622 -1.027 1.00 0.00 C ATOM 60 C PRO A 26 4.863 17.825 -2.332 1.00 0.00 C ATOM 61 O PRO A 26 3.858 17.800 -3.048 1.00 0.00 O ATOM 62 CB PRO A 26 3.860 17.961 -0.017 1.00 0.00 C ATOM 63 CG PRO A 26 2.519 18.667 -0.216 1.00 0.00 C ATOM 64 CD PRO A 26 2.908 20.062 -0.703 1.00 0.00 C ATOM 0 HA PRO A 26 5.809 18.680 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.774 16.890 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.225 18.084 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.898 18.147 -0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.949 18.712 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.183 20.438 -1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.931 20.771 0.125 1.00 0.00 H new ATOM 72 N PRO A 27 5.970 17.127 -2.637 1.00 0.00 N ATOM 73 CA PRO A 27 6.101 16.392 -3.888 1.00 0.00 C ATOM 74 C PRO A 27 5.184 15.171 -3.930 1.00 0.00 C ATOM 75 O PRO A 27 4.766 14.783 -5.020 1.00 0.00 O ATOM 76 CB PRO A 27 7.571 15.971 -3.952 1.00 0.00 C ATOM 77 CG PRO A 27 7.945 15.818 -2.478 1.00 0.00 C ATOM 78 CD PRO A 27 7.162 16.955 -1.820 1.00 0.00 C ATOM 0 HA PRO A 27 5.809 17.007 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.701 15.038 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.185 16.722 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.655 14.844 -2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.019 15.919 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.901 16.708 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.752 17.871 -1.788 1.00 0.00 H new ATOM 86 N HIS A 28 4.845 14.610 -2.758 1.00 0.00 N ATOM 87 CA HIS A 28 4.177 13.324 -2.558 1.00 0.00 C ATOM 88 C HIS A 28 4.866 12.198 -3.350 1.00 0.00 C ATOM 89 O HIS A 28 5.885 12.396 -4.021 1.00 0.00 O ATOM 90 CB HIS A 28 2.632 13.422 -2.688 1.00 0.00 C ATOM 91 CG HIS A 28 2.043 14.347 -3.739 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.140 15.721 -3.756 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.225 13.999 -4.784 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.453 16.181 -4.808 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.840 15.173 -5.446 1.00 0.00 N ATOM 0 H HIS A 28 5.045 15.075 -1.873 1.00 0.00 H new ATOM 0 HA HIS A 28 4.305 13.026 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.253 12.419 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.238 13.730 -1.719 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.649 16.291 -3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.929 12.995 -5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.400 17.219 -5.102 1.00 0.00 H new ATOM 103 N SER A 29 4.422 10.959 -3.174 1.00 0.00 N ATOM 104 CA SER A 29 5.103 9.778 -3.694 1.00 0.00 C ATOM 105 C SER A 29 4.106 8.680 -4.050 1.00 0.00 C ATOM 106 O SER A 29 4.458 7.514 -3.973 1.00 0.00 O ATOM 107 CB SER A 29 6.164 9.315 -2.681 1.00 0.00 C ATOM 108 OG SER A 29 7.093 10.357 -2.471 1.00 0.00 O ATOM 0 H SER A 29 3.568 10.743 -2.660 1.00 0.00 H new ATOM 0 HA SER A 29 5.615 10.029 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.689 9.040 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.674 8.426 -3.052 1.00 0.00 H new ATOM 0 HG SER A 29 8.004 10.008 -2.567 1.00 0.00 H new ATOM 114 N ILE A 30 2.888 9.048 -4.463 1.00 0.00 N ATOM 115 CA ILE A 30 1.790 8.160 -4.850 1.00 0.00 C ATOM 116 C ILE A 30 2.318 6.959 -5.624 1.00 0.00 C ATOM 117 O ILE A 30 2.101 5.829 -5.230 1.00 0.00 O ATOM 118 CB ILE A 30 0.757 8.952 -5.706 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.252 10.235 -5.024 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.436 8.117 -6.211 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.409 9.971 -3.677 1.00 0.00 C ATOM 0 H ILE A 30 2.629 10.032 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 30 1.298 7.790 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 30 1.337 9.237 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.089 10.919 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.461 10.733 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.102 8.751 -6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.071 7.301 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.980 7.708 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.744 10.914 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.265 9.310 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.309 9.500 -3.006 1.00 0.00 H new ATOM 133 N GLU A 31 2.920 7.174 -6.778 1.00 0.00 N ATOM 134 CA GLU A 31 3.327 6.091 -7.659 1.00 0.00 C ATOM 135 C GLU A 31 4.447 5.216 -7.090 1.00 0.00 C ATOM 136 O GLU A 31 4.465 4.009 -7.315 1.00 0.00 O ATOM 137 CB GLU A 31 3.586 6.695 -9.022 1.00 0.00 C ATOM 138 CG GLU A 31 2.205 7.086 -9.593 1.00 0.00 C ATOM 139 CD GLU A 31 2.311 8.274 -10.534 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.429 9.413 -10.021 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.223 8.080 -11.767 1.00 0.00 O ATOM 0 H GLU A 31 3.142 8.104 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 31 2.528 5.356 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.235 7.567 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.088 5.981 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.775 6.237 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.526 7.327 -8.775 1.00 0.00 H new ATOM 148 N ALA A 32 5.358 5.803 -6.316 1.00 0.00 N ATOM 149 CA ALA A 32 6.342 5.047 -5.542 1.00 0.00 C ATOM 150 C ALA A 32 5.640 4.188 -4.484 1.00 0.00 C ATOM 151 O ALA A 32 5.914 2.996 -4.389 1.00 0.00 O ATOM 152 CB ALA A 32 7.369 5.984 -4.900 1.00 0.00 C ATOM 0 H ALA A 32 5.435 6.814 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 32 6.879 4.383 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.090 5.398 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.889 6.542 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.860 6.680 -4.234 1.00 0.00 H new ATOM 158 N GLU A 33 4.704 4.767 -3.730 1.00 0.00 N ATOM 159 CA GLU A 33 3.825 4.081 -2.789 1.00 0.00 C ATOM 160 C GLU A 33 3.127 2.921 -3.516 1.00 0.00 C ATOM 161 O GLU A 33 3.144 1.794 -3.029 1.00 0.00 O ATOM 162 CB GLU A 33 2.808 5.072 -2.174 1.00 0.00 C ATOM 163 CG GLU A 33 3.337 6.008 -1.075 1.00 0.00 C ATOM 164 CD GLU A 33 2.253 6.967 -0.547 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.053 6.602 -0.530 1.00 0.00 O ATOM 166 OE2 GLU A 33 2.589 8.103 -0.141 1.00 0.00 O ATOM 0 H GLU A 33 4.533 5.772 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 33 4.408 3.673 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.402 5.686 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.979 4.497 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.724 5.411 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.172 6.589 -1.467 1.00 0.00 H new ATOM 173 N GLN A 34 2.574 3.155 -4.710 1.00 0.00 N ATOM 174 CA GLN A 34 1.917 2.128 -5.507 1.00 0.00 C ATOM 175 C GLN A 34 2.906 1.026 -5.885 1.00 0.00 C ATOM 176 O GLN A 34 2.556 -0.150 -5.822 1.00 0.00 O ATOM 177 CB GLN A 34 1.288 2.695 -6.786 1.00 0.00 C ATOM 178 CG GLN A 34 0.084 3.558 -6.422 1.00 0.00 C ATOM 179 CD GLN A 34 -0.530 4.337 -7.569 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.027 4.367 -8.693 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.637 5.000 -7.287 1.00 0.00 N ATOM 0 H GLN A 34 2.573 4.075 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 34 1.119 1.718 -4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.021 3.288 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.981 1.882 -7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.684 2.916 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.385 4.263 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.032 4.957 -6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.097 5.555 -8.009 1.00 0.00 H new ATOM 190 N SER A 35 4.125 1.394 -6.287 1.00 0.00 N ATOM 191 CA SER A 35 5.180 0.467 -6.683 1.00 0.00 C ATOM 192 C SER A 35 5.595 -0.421 -5.508 1.00 0.00 C ATOM 193 O SER A 35 5.900 -1.595 -5.711 1.00 0.00 O ATOM 194 CB SER A 35 6.392 1.240 -7.214 1.00 0.00 C ATOM 195 OG SER A 35 6.027 2.077 -8.293 1.00 0.00 O ATOM 0 H SER A 35 4.410 2.372 -6.346 1.00 0.00 H new ATOM 0 HA SER A 35 4.792 -0.173 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.824 1.841 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.162 0.539 -7.537 1.00 0.00 H new ATOM 0 HG SER A 35 5.476 2.816 -7.962 1.00 0.00 H new ATOM 201 N VAL A 36 5.590 0.117 -4.284 1.00 0.00 N ATOM 202 CA VAL A 36 5.782 -0.654 -3.067 1.00 0.00 C ATOM 203 C VAL A 36 4.614 -1.620 -2.903 1.00 0.00 C ATOM 204 O VAL A 36 4.852 -2.818 -2.787 1.00 0.00 O ATOM 205 CB VAL A 36 5.959 0.283 -1.852 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.972 -0.480 -0.527 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.274 1.063 -1.943 1.00 0.00 C ATOM 0 H VAL A 36 5.450 1.113 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 36 6.697 -1.242 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 36 5.105 0.960 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.099 0.223 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.030 -1.015 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.797 -1.193 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.372 1.714 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.110 0.364 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.277 1.666 -2.851 1.00 0.00 H new ATOM 217 N LEU A 37 3.372 -1.128 -2.897 1.00 0.00 N ATOM 218 CA LEU A 37 2.199 -1.961 -2.633 1.00 0.00 C ATOM 219 C LEU A 37 2.097 -3.101 -3.641 1.00 0.00 C ATOM 220 O LEU A 37 1.963 -4.253 -3.245 1.00 0.00 O ATOM 221 CB LEU A 37 0.904 -1.137 -2.633 1.00 0.00 C ATOM 222 CG LEU A 37 0.782 -0.112 -1.493 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.578 0.582 -1.599 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.965 -0.733 -0.105 1.00 0.00 C ATOM 0 H LEU A 37 3.154 -0.147 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 37 2.328 -2.386 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.827 -0.610 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.057 -1.821 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 37 1.589 0.612 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.678 1.312 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.654 1.089 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.372 -0.160 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.868 0.041 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.204 -1.497 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.954 -1.186 -0.037 1.00 0.00 H new ATOM 236 N GLY A 38 2.199 -2.811 -4.936 1.00 0.00 N ATOM 237 CA GLY A 38 2.223 -3.856 -5.943 1.00 0.00 C ATOM 238 C GLY A 38 3.444 -4.752 -5.765 1.00 0.00 C ATOM 239 O GLY A 38 3.331 -5.955 -5.954 1.00 0.00 O ATOM 0 H GLY A 38 2.266 -1.863 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.314 -4.454 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.236 -3.409 -6.937 1.00 0.00 H new ATOM 243 N GLY A 39 4.598 -4.213 -5.355 1.00 0.00 N ATOM 244 CA GLY A 39 5.777 -5.012 -5.062 1.00 0.00 C ATOM 245 C GLY A 39 5.482 -6.072 -4.005 1.00 0.00 C ATOM 246 O GLY A 39 5.864 -7.225 -4.183 1.00 0.00 O ATOM 0 H GLY A 39 4.733 -3.211 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.128 -5.494 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.581 -4.363 -4.714 1.00 0.00 H new ATOM 250 N LEU A 40 4.764 -5.701 -2.942 1.00 0.00 N ATOM 251 CA LEU A 40 4.304 -6.613 -1.900 1.00 0.00 C ATOM 252 C LEU A 40 3.349 -7.660 -2.464 1.00 0.00 C ATOM 253 O LEU A 40 3.423 -8.827 -2.093 1.00 0.00 O ATOM 254 CB LEU A 40 3.574 -5.832 -0.791 1.00 0.00 C ATOM 255 CG LEU A 40 4.430 -4.835 0.002 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.557 -4.047 0.981 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.515 -5.577 0.767 1.00 0.00 C ATOM 0 H LEU A 40 4.481 -4.734 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 40 5.183 -7.112 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.743 -5.289 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.144 -6.549 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 40 4.894 -4.139 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.177 -3.344 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.794 -3.499 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.077 -4.736 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.118 -4.863 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.055 -6.284 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.151 -6.117 0.065 1.00 0.00 H new ATOM 269 N MET A 41 2.437 -7.242 -3.343 1.00 0.00 N ATOM 270 CA MET A 41 1.459 -8.129 -3.964 1.00 0.00 C ATOM 271 C MET A 41 2.137 -9.111 -4.928 1.00 0.00 C ATOM 272 O MET A 41 1.574 -10.175 -5.188 1.00 0.00 O ATOM 273 CB MET A 41 0.374 -7.301 -4.679 1.00 0.00 C ATOM 274 CG MET A 41 -0.424 -6.433 -3.692 1.00 0.00 C ATOM 275 SD MET A 41 -1.252 -4.968 -4.382 1.00 0.00 S ATOM 276 CE MET A 41 -2.675 -5.753 -5.161 1.00 0.00 C ATOM 0 H MET A 41 2.358 -6.271 -3.645 1.00 0.00 H new ATOM 0 HA MET A 41 0.981 -8.721 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.840 -6.663 -5.430 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.306 -7.970 -5.206 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.180 -7.061 -3.220 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.253 -6.102 -2.904 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.266 -5.000 -5.681 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.332 -6.502 -5.875 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.288 -6.233 -4.398 1.00 0.00 H new ATOM 286 N LEU A 42 3.301 -8.762 -5.491 1.00 0.00 N ATOM 287 CA LEU A 42 4.056 -9.582 -6.437 1.00 0.00 C ATOM 288 C LEU A 42 5.068 -10.495 -5.739 1.00 0.00 C ATOM 289 O LEU A 42 5.342 -11.583 -6.246 1.00 0.00 O ATOM 290 CB LEU A 42 4.744 -8.709 -7.500 1.00 0.00 C ATOM 291 CG LEU A 42 3.863 -8.516 -8.755 1.00 0.00 C ATOM 292 CD1 LEU A 42 2.760 -7.462 -8.611 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.758 -8.116 -9.925 1.00 0.00 C ATOM 0 H LEU A 42 3.755 -7.871 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 42 3.336 -10.229 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.981 -7.735 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.689 -9.168 -7.789 1.00 0.00 H new ATOM 0 HG LEU A 42 3.359 -9.469 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.195 -7.397 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.091 -7.745 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.209 -6.493 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.149 -7.976 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.273 -7.185 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.493 -8.901 -10.106 1.00 0.00 H new ATOM 305 N ASP A 43 5.623 -10.084 -4.600 1.00 0.00 N ATOM 306 CA ASP A 43 6.483 -10.908 -3.751 1.00 0.00 C ATOM 307 C ASP A 43 6.229 -10.550 -2.298 1.00 0.00 C ATOM 308 O ASP A 43 6.737 -9.553 -1.780 1.00 0.00 O ATOM 309 CB ASP A 43 7.975 -10.773 -4.085 1.00 0.00 C ATOM 310 CG ASP A 43 8.841 -11.642 -3.150 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.437 -12.783 -2.814 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.980 -11.232 -2.819 1.00 0.00 O ATOM 0 H ASP A 43 5.483 -9.143 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 43 6.228 -11.951 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.146 -11.068 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.276 -9.729 -3.997 1.00 0.00 H new ATOM 317 N ASN A 44 5.446 -11.396 -1.637 1.00 0.00 N ATOM 318 CA ASN A 44 5.007 -11.207 -0.261 1.00 0.00 C ATOM 319 C ASN A 44 6.183 -10.999 0.681 1.00 0.00 C ATOM 320 O ASN A 44 6.056 -10.271 1.665 1.00 0.00 O ATOM 321 CB ASN A 44 4.287 -12.450 0.255 1.00 0.00 C ATOM 322 CG ASN A 44 2.937 -12.727 -0.371 1.00 0.00 C ATOM 323 OD1 ASN A 44 1.907 -12.885 0.436 1.00 0.00 O flip ATOM 324 ND2 ASN A 44 2.805 -12.939 -1.568 1.00 0.00 N flip ATOM 0 H ASN A 44 5.090 -12.255 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 44 4.355 -10.334 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.929 -13.315 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.155 -12.351 1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.598 -12.819 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.902 -13.236 -1.937 1.00 0.00 H new ATOM 331 N GLU A 45 7.315 -11.651 0.403 1.00 0.00 N ATOM 332 CA GLU A 45 8.478 -11.629 1.283 1.00 0.00 C ATOM 333 C GLU A 45 9.077 -10.230 1.381 1.00 0.00 C ATOM 334 O GLU A 45 9.804 -9.945 2.337 1.00 0.00 O ATOM 335 CB GLU A 45 9.556 -12.605 0.788 1.00 0.00 C ATOM 336 CG GLU A 45 9.115 -14.069 0.689 1.00 0.00 C ATOM 337 CD GLU A 45 8.885 -14.756 2.042 1.00 0.00 C ATOM 338 OE1 GLU A 45 8.156 -14.223 2.907 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.410 -15.879 2.227 1.00 0.00 O ATOM 0 H GLU A 45 7.447 -12.209 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 45 8.137 -11.935 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.896 -12.278 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.413 -12.545 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.194 -14.120 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.871 -14.627 0.136 1.00 0.00 H new ATOM 346 N ARG A 46 8.732 -9.324 0.458 1.00 0.00 N ATOM 347 CA ARG A 46 9.196 -7.943 0.476 1.00 0.00 C ATOM 348 C ARG A 46 8.493 -7.165 1.573 1.00 0.00 C ATOM 349 O ARG A 46 8.969 -6.072 1.869 1.00 0.00 O ATOM 350 CB ARG A 46 8.938 -7.259 -0.882 1.00 0.00 C ATOM 351 CG ARG A 46 9.510 -7.995 -2.103 1.00 0.00 C ATOM 352 CD ARG A 46 11.008 -7.828 -2.374 1.00 0.00 C ATOM 353 NE ARG A 46 11.869 -8.140 -1.225 1.00 0.00 N ATOM 354 CZ ARG A 46 13.176 -7.877 -1.115 1.00 0.00 C ATOM 355 NH1 ARG A 46 13.901 -7.518 -2.170 1.00 0.00 N ATOM 356 NH2 ARG A 46 13.753 -7.961 0.074 1.00 0.00 N ATOM 0 H ARG A 46 8.117 -9.537 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 46 10.269 -7.952 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.862 -7.147 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.361 -6.255 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.303 -9.059 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.966 -7.660 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.288 -8.471 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.197 -6.801 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 46 11.426 -8.604 -0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.462 -7.438 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.896 -7.322 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.202 -8.223 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.749 -7.763 0.173 1.00 0.00 H new ATOM 370 N TRP A 47 7.458 -7.724 2.218 1.00 0.00 N ATOM 371 CA TRP A 47 6.857 -7.158 3.414 1.00 0.00 C ATOM 372 C TRP A 47 7.933 -6.723 4.383 1.00 0.00 C ATOM 373 O TRP A 47 7.890 -5.595 4.852 1.00 0.00 O ATOM 374 CB TRP A 47 5.891 -8.143 4.075 1.00 0.00 C ATOM 375 CG TRP A 47 5.282 -7.583 5.320 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.738 -7.769 6.582 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.253 -6.558 5.414 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.007 -6.983 7.454 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.118 -6.171 6.779 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.486 -5.861 4.459 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.257 -5.136 7.174 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.631 -4.813 4.840 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.517 -4.452 6.192 1.00 0.00 C ATOM 0 H TRP A 47 7.017 -8.591 1.913 1.00 0.00 H new ATOM 0 HA TRP A 47 6.277 -6.283 3.121 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.101 -8.403 3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.421 -9.065 4.314 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.546 -8.428 6.863 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.112 -7.001 8.468 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.557 -6.137 3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.164 -4.868 8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.060 -4.284 4.091 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.858 -3.646 6.480 1.00 0.00 H new ATOM 394 N ASP A 48 8.917 -7.580 4.649 1.00 0.00 N ATOM 395 CA ASP A 48 9.930 -7.252 5.637 1.00 0.00 C ATOM 396 C ASP A 48 10.774 -6.061 5.232 1.00 0.00 C ATOM 397 O ASP A 48 11.039 -5.224 6.088 1.00 0.00 O ATOM 398 CB ASP A 48 10.845 -8.447 5.927 1.00 0.00 C ATOM 399 CG ASP A 48 10.352 -9.203 7.143 1.00 0.00 C ATOM 400 OD1 ASP A 48 10.452 -8.662 8.265 1.00 0.00 O ATOM 401 OD2 ASP A 48 9.811 -10.320 6.977 1.00 0.00 O ATOM 0 H ASP A 48 9.030 -8.489 4.201 1.00 0.00 H new ATOM 0 HA ASP A 48 9.384 -6.990 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.872 -9.111 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.865 -8.101 6.094 1.00 0.00 H new ATOM 406 N ASP A 49 11.201 -5.964 3.974 1.00 0.00 N ATOM 407 CA ASP A 49 12.153 -4.920 3.588 1.00 0.00 C ATOM 408 C ASP A 49 11.461 -3.587 3.422 1.00 0.00 C ATOM 409 O ASP A 49 12.008 -2.531 3.737 1.00 0.00 O ATOM 410 CB ASP A 49 12.919 -5.258 2.312 1.00 0.00 C ATOM 411 CG ASP A 49 14.322 -4.679 2.419 1.00 0.00 C ATOM 412 OD1 ASP A 49 15.148 -5.288 3.141 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.637 -3.660 1.770 1.00 0.00 O ATOM 0 H ASP A 49 10.911 -6.582 3.216 1.00 0.00 H new ATOM 0 HA ASP A 49 12.876 -4.858 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.965 -6.338 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.406 -4.847 1.443 1.00 0.00 H new ATOM 418 N VAL A 50 10.214 -3.657 2.977 1.00 0.00 N ATOM 419 CA VAL A 50 9.308 -2.544 2.949 1.00 0.00 C ATOM 420 C VAL A 50 9.049 -2.109 4.389 1.00 0.00 C ATOM 421 O VAL A 50 9.247 -0.938 4.662 1.00 0.00 O ATOM 422 CB VAL A 50 8.057 -2.972 2.178 1.00 0.00 C ATOM 423 CG1 VAL A 50 6.936 -1.940 2.332 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.389 -3.128 0.681 1.00 0.00 C ATOM 0 H VAL A 50 9.804 -4.519 2.618 1.00 0.00 H new ATOM 0 HA VAL A 50 9.710 -1.674 2.430 1.00 0.00 H new ATOM 0 HB VAL A 50 7.721 -3.924 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.059 -2.269 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.678 -1.838 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.272 -0.978 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.493 -3.433 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.746 -2.177 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.163 -3.885 0.557 1.00 0.00 H new ATOM 434 N ALA A 51 8.682 -2.989 5.323 1.00 0.00 N ATOM 435 CA ALA A 51 8.430 -2.619 6.715 1.00 0.00 C ATOM 436 C ALA A 51 9.695 -2.130 7.434 1.00 0.00 C ATOM 437 O ALA A 51 9.622 -1.417 8.436 1.00 0.00 O ATOM 438 CB ALA A 51 7.794 -3.794 7.464 1.00 0.00 C ATOM 0 H ALA A 51 8.551 -3.983 5.133 1.00 0.00 H new ATOM 0 HA ALA A 51 7.735 -1.780 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.610 -3.509 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.850 -4.061 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.468 -4.650 7.438 1.00 0.00 H new ATOM 444 N GLU A 52 10.870 -2.497 6.925 1.00 0.00 N ATOM 445 CA GLU A 52 12.155 -1.997 7.366 1.00 0.00 C ATOM 446 C GLU A 52 12.419 -0.592 6.823 1.00 0.00 C ATOM 447 O GLU A 52 13.237 0.148 7.374 1.00 0.00 O ATOM 448 CB GLU A 52 13.321 -2.920 6.963 1.00 0.00 C ATOM 449 CG GLU A 52 13.514 -4.145 7.870 1.00 0.00 C ATOM 450 CD GLU A 52 14.994 -4.478 8.004 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.647 -3.905 8.913 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.528 -5.248 7.170 1.00 0.00 O ATOM 0 H GLU A 52 10.947 -3.175 6.167 1.00 0.00 H new ATOM 0 HA GLU A 52 12.106 -1.967 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.158 -3.264 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.243 -2.338 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.089 -3.948 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.978 -5.000 7.457 1.00 0.00 H new ATOM 459 N ARG A 53 11.763 -0.204 5.731 1.00 0.00 N ATOM 460 CA ARG A 53 11.884 1.117 5.132 1.00 0.00 C ATOM 461 C ARG A 53 10.797 2.028 5.668 1.00 0.00 C ATOM 462 O ARG A 53 11.100 3.140 6.102 1.00 0.00 O ATOM 463 CB ARG A 53 11.808 1.027 3.596 1.00 0.00 C ATOM 464 CG ARG A 53 13.184 1.112 2.935 1.00 0.00 C ATOM 465 CD ARG A 53 14.064 -0.124 3.135 1.00 0.00 C ATOM 466 NE ARG A 53 15.460 0.217 2.841 1.00 0.00 N ATOM 467 CZ ARG A 53 16.498 -0.618 2.907 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.352 -1.931 3.031 1.00 0.00 N ATOM 469 NH2 ARG A 53 17.723 -0.126 2.851 1.00 0.00 N ATOM 0 H ARG A 53 11.119 -0.816 5.229 1.00 0.00 H new ATOM 0 HA ARG A 53 12.855 1.535 5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.330 0.089 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.177 1.832 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.049 1.277 1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.708 1.983 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.975 -0.485 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.730 -0.931 2.482 1.00 0.00 H new ATOM 0 HE ARG A 53 15.654 1.178 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.418 -2.338 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.174 -2.533 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.865 0.880 2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.527 -0.752 2.900 1.00 0.00 H new ATOM 483 N VAL A 54 9.562 1.564 5.686 1.00 0.00 N ATOM 484 CA VAL A 54 8.394 2.370 5.938 1.00 0.00 C ATOM 485 C VAL A 54 7.448 1.696 6.910 1.00 0.00 C ATOM 486 O VAL A 54 7.463 0.481 7.085 1.00 0.00 O ATOM 487 CB VAL A 54 7.661 2.635 4.607 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.364 3.706 3.774 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.424 1.404 3.718 1.00 0.00 C ATOM 0 H VAL A 54 9.342 0.582 5.519 1.00 0.00 H new ATOM 0 HA VAL A 54 8.721 3.309 6.385 1.00 0.00 H new ATOM 0 HB VAL A 54 6.679 2.977 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.816 3.862 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.399 4.639 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.379 3.381 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.902 1.706 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.382 0.956 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.820 0.676 4.259 1.00 0.00 H new ATOM 499 N VAL A 55 6.587 2.507 7.500 1.00 0.00 N ATOM 500 CA VAL A 55 5.442 2.065 8.269 1.00 0.00 C ATOM 501 C VAL A 55 4.216 2.603 7.533 1.00 0.00 C ATOM 502 O VAL A 55 4.354 3.445 6.640 1.00 0.00 O ATOM 503 CB VAL A 55 5.558 2.507 9.741 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.695 1.730 10.423 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.776 4.020 9.909 1.00 0.00 C ATOM 0 H VAL A 55 6.670 3.523 7.454 1.00 0.00 H new ATOM 0 HA VAL A 55 5.369 0.979 8.335 1.00 0.00 H new ATOM 0 HB VAL A 55 4.604 2.280 10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.776 2.043 11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.482 0.662 10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.634 1.933 9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.849 4.262 10.969 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.698 4.313 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.936 4.559 9.471 1.00 0.00 H new ATOM 515 N ALA A 56 3.011 2.159 7.903 1.00 0.00 N ATOM 516 CA ALA A 56 1.784 2.611 7.251 1.00 0.00 C ATOM 517 C ALA A 56 1.728 4.141 7.195 1.00 0.00 C ATOM 518 O ALA A 56 1.298 4.714 6.203 1.00 0.00 O ATOM 519 CB ALA A 56 0.558 2.073 7.996 1.00 0.00 C ATOM 0 H ALA A 56 2.862 1.485 8.654 1.00 0.00 H new ATOM 0 HA ALA A 56 1.781 2.226 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.349 2.417 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.581 0.983 7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.569 2.435 9.024 1.00 0.00 H new ATOM 525 N ASP A 57 2.191 4.805 8.254 1.00 0.00 N ATOM 526 CA ASP A 57 2.102 6.249 8.423 1.00 0.00 C ATOM 527 C ASP A 57 2.945 7.052 7.426 1.00 0.00 C ATOM 528 O ASP A 57 2.678 8.238 7.212 1.00 0.00 O ATOM 529 CB ASP A 57 2.502 6.607 9.860 1.00 0.00 C ATOM 530 CG ASP A 57 1.428 7.479 10.489 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.344 6.935 10.807 1.00 0.00 O ATOM 532 OD2 ASP A 57 1.654 8.697 10.676 1.00 0.00 O ATOM 0 H ASP A 57 2.650 4.338 9.036 1.00 0.00 H new ATOM 0 HA ASP A 57 1.068 6.527 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.636 5.699 10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.457 7.132 9.862 1.00 0.00 H new ATOM 537 N ASP A 58 3.955 6.432 6.803 1.00 0.00 N ATOM 538 CA ASP A 58 4.811 7.084 5.819 1.00 0.00 C ATOM 539 C ASP A 58 4.037 7.306 4.517 1.00 0.00 C ATOM 540 O ASP A 58 4.259 8.308 3.828 1.00 0.00 O ATOM 541 CB ASP A 58 6.057 6.233 5.535 1.00 0.00 C ATOM 542 CG ASP A 58 7.129 6.316 6.621 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.599 7.436 6.922 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.546 5.253 7.133 1.00 0.00 O ATOM 0 H ASP A 58 4.198 5.456 6.973 1.00 0.00 H new ATOM 0 HA ASP A 58 5.127 8.046 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.754 5.193 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.491 6.548 4.586 1.00 0.00 H new ATOM 549 N PHE A 59 3.091 6.420 4.191 1.00 0.00 N ATOM 550 CA PHE A 59 2.229 6.535 3.026 1.00 0.00 C ATOM 551 C PHE A 59 1.281 7.711 3.253 1.00 0.00 C ATOM 552 O PHE A 59 0.534 7.744 4.236 1.00 0.00 O ATOM 553 CB PHE A 59 1.442 5.235 2.802 1.00 0.00 C ATOM 554 CG PHE A 59 2.270 4.014 2.441 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.028 3.348 3.423 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.259 3.517 1.125 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.787 2.216 3.085 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.018 2.384 0.781 1.00 0.00 C ATOM 559 CZ PHE A 59 3.784 1.734 1.765 1.00 0.00 C ATOM 0 H PHE A 59 2.904 5.586 4.747 1.00 0.00 H new ATOM 0 HA PHE A 59 2.829 6.708 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.878 5.013 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.715 5.405 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.026 3.709 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.662 4.010 0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.374 1.715 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.013 2.015 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.370 0.864 1.506 1.00 0.00 H new ATOM 569 N TYR A 60 1.312 8.705 2.368 1.00 0.00 N ATOM 570 CA TYR A 60 0.423 9.853 2.481 1.00 0.00 C ATOM 571 C TYR A 60 -1.010 9.473 2.104 1.00 0.00 C ATOM 572 O TYR A 60 -1.982 9.977 2.678 1.00 0.00 O ATOM 573 CB TYR A 60 0.906 10.977 1.556 1.00 0.00 C ATOM 574 CG TYR A 60 0.018 12.200 1.629 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.017 12.944 2.821 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.837 12.538 0.560 1.00 0.00 C ATOM 577 CE1 TYR A 60 -0.901 14.022 2.959 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.716 13.627 0.686 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.760 14.363 1.892 1.00 0.00 C ATOM 580 OH TYR A 60 -2.582 15.442 1.996 1.00 0.00 O ATOM 0 H TYR A 60 1.943 8.736 1.567 1.00 0.00 H new ATOM 0 HA TYR A 60 0.436 10.192 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.925 11.254 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.935 10.612 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.642 12.683 3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.816 11.962 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.925 14.590 3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.358 13.902 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.105 15.535 1.173 1.00 0.00 H new ATOM 590 N THR A 61 -1.151 8.608 1.112 1.00 0.00 N ATOM 591 CA THR A 61 -2.415 8.315 0.468 1.00 0.00 C ATOM 592 C THR A 61 -3.306 7.448 1.363 1.00 0.00 C ATOM 593 O THR A 61 -2.952 6.314 1.679 1.00 0.00 O ATOM 594 CB THR A 61 -2.158 7.721 -0.909 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.875 8.041 -1.410 1.00 0.00 O ATOM 596 CG2 THR A 61 -3.140 8.209 -1.970 1.00 0.00 C ATOM 0 H THR A 61 -0.369 8.079 0.726 1.00 0.00 H new ATOM 0 HA THR A 61 -2.977 9.237 0.317 1.00 0.00 H new ATOM 0 HB THR A 61 -2.267 6.649 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.225 7.381 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.900 7.747 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.155 7.936 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.068 9.293 -2.062 1.00 0.00 H new ATOM 604 N ARG A 62 -4.483 7.954 1.753 1.00 0.00 N ATOM 605 CA ARG A 62 -5.488 7.194 2.511 1.00 0.00 C ATOM 606 C ARG A 62 -5.743 5.795 1.939 1.00 0.00 C ATOM 607 O ARG A 62 -5.634 4.850 2.715 1.00 0.00 O ATOM 608 CB ARG A 62 -6.804 7.978 2.639 1.00 0.00 C ATOM 609 CG ARG A 62 -6.993 8.641 4.009 1.00 0.00 C ATOM 610 CD ARG A 62 -7.408 7.658 5.118 1.00 0.00 C ATOM 611 NE ARG A 62 -7.980 8.400 6.253 1.00 0.00 N ATOM 612 CZ ARG A 62 -8.987 8.010 7.045 1.00 0.00 C ATOM 613 NH1 ARG A 62 -9.416 6.752 7.076 1.00 0.00 N ATOM 614 NH2 ARG A 62 -9.585 8.921 7.798 1.00 0.00 N ATOM 0 H ARG A 62 -4.768 8.912 1.550 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.069 7.053 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.837 8.745 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.639 7.303 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.063 9.130 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.750 9.421 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.138 6.947 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.544 7.081 5.447 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.565 9.309 6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.975 6.048 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.186 6.491 7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.276 9.892 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.355 8.651 8.410 1.00 0.00 H new ATOM 628 N PRO A 63 -6.060 5.608 0.641 1.00 0.00 N ATOM 629 CA PRO A 63 -6.251 4.268 0.103 1.00 0.00 C ATOM 630 C PRO A 63 -4.975 3.441 0.247 1.00 0.00 C ATOM 631 O PRO A 63 -5.054 2.303 0.691 1.00 0.00 O ATOM 632 CB PRO A 63 -6.712 4.437 -1.351 1.00 0.00 C ATOM 633 CG PRO A 63 -6.301 5.866 -1.706 1.00 0.00 C ATOM 634 CD PRO A 63 -6.406 6.598 -0.369 1.00 0.00 C ATOM 0 HA PRO A 63 -7.009 3.712 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.235 3.710 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.789 4.296 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.289 5.906 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.961 6.301 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.727 7.450 -0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.412 6.985 -0.211 1.00 0.00 H new ATOM 642 N HIS A 64 -3.793 3.984 -0.052 1.00 0.00 N ATOM 643 CA HIS A 64 -2.564 3.218 0.117 1.00 0.00 C ATOM 644 C HIS A 64 -2.379 2.768 1.576 1.00 0.00 C ATOM 645 O HIS A 64 -1.965 1.633 1.806 1.00 0.00 O ATOM 646 CB HIS A 64 -1.354 4.005 -0.399 1.00 0.00 C ATOM 647 CG HIS A 64 -1.388 4.389 -1.865 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.518 5.278 -2.447 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.231 3.946 -2.853 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.819 5.379 -3.748 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.871 4.591 -4.045 1.00 0.00 N ATOM 0 H HIS A 64 -3.664 4.932 -0.405 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.645 2.313 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.258 4.915 0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.457 3.413 -0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.232 5.778 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.029 3.229 -2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.294 6.002 -4.457 1.00 0.00 H new ATOM 659 N ARG A 65 -2.751 3.596 2.563 1.00 0.00 N ATOM 660 CA ARG A 65 -2.740 3.196 3.968 1.00 0.00 C ATOM 661 C ARG A 65 -3.753 2.103 4.248 1.00 0.00 C ATOM 662 O ARG A 65 -3.398 1.162 4.949 1.00 0.00 O ATOM 663 CB ARG A 65 -2.943 4.388 4.917 1.00 0.00 C ATOM 664 CG ARG A 65 -1.650 5.207 5.025 1.00 0.00 C ATOM 665 CD ARG A 65 -1.529 6.017 6.322 1.00 0.00 C ATOM 666 NE ARG A 65 -2.559 7.059 6.415 1.00 0.00 N ATOM 667 CZ ARG A 65 -3.646 7.065 7.188 1.00 0.00 C ATOM 668 NH1 ARG A 65 -3.854 6.125 8.094 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.542 8.028 7.037 1.00 0.00 N ATOM 0 H ARG A 65 -3.065 4.554 2.406 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.747 2.792 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.752 5.020 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.239 4.030 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.798 4.532 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.592 5.889 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.612 5.347 7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.542 6.477 6.372 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.428 7.875 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.175 5.373 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.693 6.152 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.397 8.754 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.377 8.044 7.622 1.00 0.00 H new ATOM 683 N HIS A 66 -4.981 2.189 3.736 1.00 0.00 N ATOM 684 CA HIS A 66 -5.952 1.110 3.805 1.00 0.00 C ATOM 685 C HIS A 66 -5.359 -0.215 3.339 1.00 0.00 C ATOM 686 O HIS A 66 -5.368 -1.161 4.126 1.00 0.00 O ATOM 687 CB HIS A 66 -7.207 1.467 2.998 1.00 0.00 C ATOM 688 CG HIS A 66 -8.097 2.475 3.656 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.444 3.735 3.225 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.798 2.215 4.786 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.317 4.236 4.110 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.563 3.348 5.091 1.00 0.00 N ATOM 0 H HIS A 66 -5.328 3.021 3.258 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.236 0.984 4.850 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.902 1.850 2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.780 0.557 2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.772 1.296 5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.762 5.218 4.045 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.181 3.474 5.893 1.00 0.00 H new ATOM 700 N ILE A 67 -4.831 -0.289 2.108 1.00 0.00 N ATOM 701 CA ILE A 67 -4.112 -1.463 1.637 1.00 0.00 C ATOM 702 C ILE A 67 -3.063 -1.877 2.672 1.00 0.00 C ATOM 703 O ILE A 67 -3.139 -2.997 3.163 1.00 0.00 O ATOM 704 CB ILE A 67 -3.532 -1.232 0.220 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.644 -1.241 -0.853 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.527 -2.343 -0.133 1.00 0.00 C ATOM 707 CD1 ILE A 67 -5.174 0.126 -1.277 1.00 0.00 C ATOM 0 H ILE A 67 -4.894 0.463 1.421 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.803 -2.300 1.534 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.042 -0.258 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.264 -1.752 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.479 -1.832 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.127 -2.168 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.711 -2.339 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.030 -3.310 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.949 -0.003 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.593 0.638 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.359 0.720 -1.691 1.00 0.00 H new ATOM 719 N PHE A 68 -2.110 -1.009 3.023 1.00 0.00 N ATOM 720 CA PHE A 68 -0.990 -1.384 3.881 1.00 0.00 C ATOM 721 C PHE A 68 -1.457 -1.919 5.243 1.00 0.00 C ATOM 722 O PHE A 68 -0.876 -2.860 5.775 1.00 0.00 O ATOM 723 CB PHE A 68 -0.048 -0.185 4.049 1.00 0.00 C ATOM 724 CG PHE A 68 1.346 -0.572 4.499 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.640 -0.752 5.863 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.354 -0.777 3.540 1.00 0.00 C ATOM 727 CE1 PHE A 68 2.940 -1.105 6.263 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.651 -1.136 3.942 1.00 0.00 C ATOM 729 CZ PHE A 68 3.951 -1.293 5.305 1.00 0.00 C ATOM 0 H PHE A 68 -2.095 -0.035 2.722 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.450 -2.199 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.020 0.350 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.477 0.506 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.865 -0.619 6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.130 -0.658 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.163 -1.232 7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.420 -1.292 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.952 -1.556 5.615 1.00 0.00 H new ATOM 739 N THR A 69 -2.508 -1.335 5.817 1.00 0.00 N ATOM 740 CA THR A 69 -3.079 -1.744 7.093 1.00 0.00 C ATOM 741 C THR A 69 -3.695 -3.136 7.001 1.00 0.00 C ATOM 742 O THR A 69 -3.582 -3.913 7.956 1.00 0.00 O ATOM 743 CB THR A 69 -4.096 -0.669 7.514 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.465 0.598 7.541 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.697 -0.897 8.895 1.00 0.00 C ATOM 0 H THR A 69 -2.996 -0.545 5.395 1.00 0.00 H new ATOM 0 HA THR A 69 -2.304 -1.821 7.856 1.00 0.00 H new ATOM 0 HB THR A 69 -4.899 -0.722 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.527 1.013 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.404 -0.099 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.215 -1.856 8.913 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.903 -0.900 9.641 1.00 0.00 H new ATOM 753 N GLU A 70 -4.330 -3.464 5.875 1.00 0.00 N ATOM 754 CA GLU A 70 -4.909 -4.778 5.695 1.00 0.00 C ATOM 755 C GLU A 70 -3.842 -5.792 5.286 1.00 0.00 C ATOM 756 O GLU A 70 -3.946 -6.949 5.675 1.00 0.00 O ATOM 757 CB GLU A 70 -6.086 -4.714 4.711 1.00 0.00 C ATOM 758 CG GLU A 70 -6.985 -5.956 4.829 1.00 0.00 C ATOM 759 CD GLU A 70 -7.694 -6.112 6.181 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.589 -5.233 7.064 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.388 -7.138 6.363 1.00 0.00 O ATOM 0 H GLU A 70 -4.451 -2.834 5.082 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.312 -5.125 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.675 -3.817 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.707 -4.633 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.738 -5.918 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.379 -6.844 4.648 1.00 0.00 H new ATOM 768 N MET A 71 -2.780 -5.378 4.593 1.00 0.00 N ATOM 769 CA MET A 71 -1.610 -6.215 4.352 1.00 0.00 C ATOM 770 C MET A 71 -0.976 -6.595 5.688 1.00 0.00 C ATOM 771 O MET A 71 -0.763 -7.779 5.939 1.00 0.00 O ATOM 772 CB MET A 71 -0.584 -5.497 3.471 1.00 0.00 C ATOM 773 CG MET A 71 -1.054 -5.305 2.032 1.00 0.00 C ATOM 774 SD MET A 71 0.164 -4.404 1.049 1.00 0.00 S ATOM 775 CE MET A 71 -0.271 -5.005 -0.595 1.00 0.00 C ATOM 0 H MET A 71 -2.710 -4.447 4.182 1.00 0.00 H new ATOM 0 HA MET A 71 -1.931 -7.114 3.826 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.360 -4.523 3.906 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.345 -6.067 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.242 -6.278 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.000 -4.763 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.273 -4.434 -1.347 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.007 -6.059 -0.679 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.343 -4.886 -0.754 1.00 0.00 H new ATOM 785 N ALA A 72 -0.727 -5.614 6.564 1.00 0.00 N ATOM 786 CA ALA A 72 -0.200 -5.851 7.900 1.00 0.00 C ATOM 787 C ALA A 72 -1.087 -6.852 8.633 1.00 0.00 C ATOM 788 O ALA A 72 -0.590 -7.856 9.148 1.00 0.00 O ATOM 789 CB ALA A 72 -0.104 -4.537 8.687 1.00 0.00 C ATOM 0 H ALA A 72 -0.889 -4.628 6.357 1.00 0.00 H new ATOM 0 HA ALA A 72 0.805 -6.265 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.292 -4.737 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.559 -3.848 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.095 -4.092 8.774 1.00 0.00 H new ATOM 795 N ARG A 73 -2.402 -6.595 8.648 1.00 0.00 N ATOM 796 CA ARG A 73 -3.380 -7.479 9.277 1.00 0.00 C ATOM 797 C ARG A 73 -3.298 -8.894 8.713 1.00 0.00 C ATOM 798 O ARG A 73 -3.301 -9.858 9.479 1.00 0.00 O ATOM 799 CB ARG A 73 -4.791 -6.909 9.073 1.00 0.00 C ATOM 800 CG ARG A 73 -5.839 -7.698 9.861 1.00 0.00 C ATOM 801 CD ARG A 73 -7.238 -7.351 9.375 1.00 0.00 C ATOM 802 NE ARG A 73 -8.281 -8.014 10.170 1.00 0.00 N ATOM 803 CZ ARG A 73 -9.503 -8.336 9.735 1.00 0.00 C ATOM 804 NH1 ARG A 73 -9.866 -8.110 8.473 1.00 0.00 N ATOM 805 NH2 ARG A 73 -10.379 -8.883 10.573 1.00 0.00 N ATOM 0 H ARG A 73 -2.814 -5.765 8.222 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.157 -7.535 10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.811 -5.865 9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.042 -6.929 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.662 -8.767 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.750 -7.473 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.380 -6.271 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.340 -7.642 8.329 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.053 -8.248 11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.207 -7.685 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.803 -8.362 8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.117 -9.055 11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.313 -9.130 10.245 1.00 0.00 H new ATOM 819 N LEU A 74 -3.281 -9.038 7.391 1.00 0.00 N ATOM 820 CA LEU A 74 -3.280 -10.317 6.716 1.00 0.00 C ATOM 821 C LEU A 74 -2.040 -11.100 7.082 1.00 0.00 C ATOM 822 O LEU A 74 -2.160 -12.248 7.513 1.00 0.00 O ATOM 823 CB LEU A 74 -3.360 -10.091 5.204 1.00 0.00 C ATOM 824 CG LEU A 74 -4.810 -9.975 4.722 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.822 -9.420 3.298 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.500 -11.348 4.774 1.00 0.00 C ATOM 0 H LEU A 74 -3.267 -8.244 6.750 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.147 -10.898 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.816 -9.183 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.870 -10.916 4.687 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.358 -9.297 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.851 -9.335 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.353 -8.436 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.271 -10.092 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.529 -11.251 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.966 -12.048 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.494 -11.720 5.799 1.00 0.00 H new ATOM 838 N GLN A 75 -0.879 -10.465 6.980 1.00 0.00 N ATOM 839 CA GLN A 75 0.396 -11.061 7.312 1.00 0.00 C ATOM 840 C GLN A 75 0.417 -11.476 8.783 1.00 0.00 C ATOM 841 O GLN A 75 0.900 -12.557 9.112 1.00 0.00 O ATOM 842 CB GLN A 75 1.478 -10.014 7.017 1.00 0.00 C ATOM 843 CG GLN A 75 2.873 -10.604 6.831 1.00 0.00 C ATOM 844 CD GLN A 75 3.054 -11.282 5.476 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.640 -12.420 5.262 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.684 -10.603 4.532 1.00 0.00 N ATOM 0 H GLN A 75 -0.803 -9.501 6.657 1.00 0.00 H new ATOM 0 HA GLN A 75 0.574 -11.960 6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.203 -9.465 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.505 -9.293 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.614 -9.812 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.064 -11.328 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.023 -9.660 4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.831 -11.023 3.614 1.00 0.00 H new ATOM 855 N GLU A 76 -0.154 -10.652 9.664 1.00 0.00 N ATOM 856 CA GLU A 76 -0.319 -10.962 11.082 1.00 0.00 C ATOM 857 C GLU A 76 -1.203 -12.204 11.278 1.00 0.00 C ATOM 858 O GLU A 76 -0.956 -12.987 12.198 1.00 0.00 O ATOM 859 CB GLU A 76 -0.870 -9.723 11.813 1.00 0.00 C ATOM 860 CG GLU A 76 -1.057 -9.904 13.323 1.00 0.00 C ATOM 861 CD GLU A 76 0.274 -10.052 14.053 1.00 0.00 C ATOM 862 OE1 GLU A 76 0.940 -9.023 14.317 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.643 -11.188 14.438 1.00 0.00 O ATOM 0 H GLU A 76 -0.520 -9.736 9.406 1.00 0.00 H new ATOM 0 HA GLU A 76 0.649 -11.208 11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.194 -8.886 11.642 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.829 -9.453 11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.598 -9.048 13.726 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.672 -10.785 13.509 1.00 0.00 H new ATOM 870 N SER A 77 -2.190 -12.432 10.405 1.00 0.00 N ATOM 871 CA SER A 77 -2.992 -13.656 10.366 1.00 0.00 C ATOM 872 C SER A 77 -2.362 -14.771 9.509 1.00 0.00 C ATOM 873 O SER A 77 -3.045 -15.748 9.194 1.00 0.00 O ATOM 874 CB SER A 77 -4.439 -13.331 9.959 1.00 0.00 C ATOM 875 OG SER A 77 -4.539 -12.623 8.735 1.00 0.00 O ATOM 0 H SER A 77 -2.458 -11.755 9.691 1.00 0.00 H new ATOM 0 HA SER A 77 -3.012 -14.068 11.375 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.002 -14.261 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.906 -12.743 10.749 1.00 0.00 H new ATOM 0 HG SER A 77 -3.647 -12.519 8.344 1.00 0.00 H new ATOM 881 N GLY A 78 -1.103 -14.642 9.076 1.00 0.00 N ATOM 882 CA GLY A 78 -0.391 -15.694 8.355 1.00 0.00 C ATOM 883 C GLY A 78 -1.022 -15.941 6.991 1.00 0.00 C ATOM 884 O GLY A 78 -1.013 -17.072 6.491 1.00 0.00 O ATOM 0 H GLY A 78 -0.549 -13.798 9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.654 -15.412 8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.405 -16.614 8.939 1.00 0.00 H new ATOM 888 N SER A 79 -1.631 -14.898 6.432 1.00 0.00 N ATOM 889 CA SER A 79 -2.378 -14.927 5.190 1.00 0.00 C ATOM 890 C SER A 79 -1.680 -14.018 4.173 1.00 0.00 C ATOM 891 O SER A 79 -1.123 -12.990 4.573 1.00 0.00 O ATOM 892 CB SER A 79 -3.810 -14.477 5.475 1.00 0.00 C ATOM 893 OG SER A 79 -4.421 -15.344 6.420 1.00 0.00 O ATOM 0 H SER A 79 -1.613 -13.971 6.856 1.00 0.00 H new ATOM 0 HA SER A 79 -2.415 -15.932 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.808 -13.456 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.387 -14.471 4.550 1.00 0.00 H new ATOM 0 HG SER A 79 -3.973 -15.252 7.287 1.00 0.00 H new ATOM 899 N PRO A 80 -1.692 -14.372 2.875 1.00 0.00 N ATOM 900 CA PRO A 80 -0.965 -13.620 1.873 1.00 0.00 C ATOM 901 C PRO A 80 -1.497 -12.202 1.724 1.00 0.00 C ATOM 902 O PRO A 80 -2.650 -11.908 2.031 1.00 0.00 O ATOM 903 CB PRO A 80 -1.092 -14.395 0.558 1.00 0.00 C ATOM 904 CG PRO A 80 -2.257 -15.352 0.778 1.00 0.00 C ATOM 905 CD PRO A 80 -2.291 -15.558 2.289 1.00 0.00 C ATOM 0 HA PRO A 80 0.079 -13.516 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.285 -13.724 -0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.174 -14.936 0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.193 -14.930 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.104 -16.294 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.314 -15.691 2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.738 -16.453 2.572 1.00 0.00 H new ATOM 913 N ILE A 81 -0.649 -11.351 1.155 1.00 0.00 N ATOM 914 CA ILE A 81 -0.920 -9.949 0.887 1.00 0.00 C ATOM 915 C ILE A 81 -1.031 -9.693 -0.621 1.00 0.00 C ATOM 916 O ILE A 81 -0.978 -8.546 -1.065 1.00 0.00 O ATOM 917 CB ILE A 81 0.122 -9.084 1.635 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.567 -9.298 1.134 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.017 -9.350 3.151 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.578 -8.377 1.824 1.00 0.00 C ATOM 0 H ILE A 81 0.284 -11.635 0.857 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.894 -9.654 1.277 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.111 -8.040 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.855 -10.336 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.602 -9.127 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.751 -8.741 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.984 -9.093 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.210 -10.404 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.576 -8.573 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.311 -7.337 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.567 -8.565 2.898 1.00 0.00 H new ATOM 932 N ASP A 82 -1.183 -10.765 -1.409 1.00 0.00 N ATOM 933 CA ASP A 82 -1.526 -10.653 -2.825 1.00 0.00 C ATOM 934 C ASP A 82 -2.965 -10.166 -2.994 1.00 0.00 C ATOM 935 O ASP A 82 -3.758 -10.164 -2.048 1.00 0.00 O ATOM 936 CB ASP A 82 -1.281 -11.953 -3.607 1.00 0.00 C ATOM 937 CG ASP A 82 -2.442 -12.950 -3.561 1.00 0.00 C ATOM 938 OD1 ASP A 82 -3.428 -12.786 -4.317 1.00 0.00 O ATOM 939 OD2 ASP A 82 -2.311 -13.946 -2.813 1.00 0.00 O ATOM 0 H ASP A 82 -1.072 -11.725 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.853 -9.911 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.075 -11.703 -4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.387 -12.437 -3.212 1.00 0.00 H new ATOM 944 N LEU A 83 -3.288 -9.746 -4.219 1.00 0.00 N ATOM 945 CA LEU A 83 -4.513 -9.043 -4.561 1.00 0.00 C ATOM 946 C LEU A 83 -5.767 -9.747 -4.061 1.00 0.00 C ATOM 947 O LEU A 83 -6.576 -9.102 -3.405 1.00 0.00 O ATOM 948 CB LEU A 83 -4.575 -8.800 -6.074 1.00 0.00 C ATOM 949 CG LEU A 83 -5.884 -8.177 -6.579 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.320 -6.955 -5.798 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.677 -7.667 -7.998 1.00 0.00 C ATOM 0 H LEU A 83 -2.679 -9.894 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.487 -8.083 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.748 -8.149 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.421 -9.750 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.633 -8.964 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.252 -6.571 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.473 -7.226 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.550 -6.187 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.603 -7.223 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.887 -6.916 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.392 -8.497 -8.645 1.00 0.00 H new ATOM 963 N ILE A 84 -5.994 -11.016 -4.383 1.00 0.00 N ATOM 964 CA ILE A 84 -7.285 -11.621 -4.116 1.00 0.00 C ATOM 965 C ILE A 84 -7.540 -11.675 -2.614 1.00 0.00 C ATOM 966 O ILE A 84 -8.598 -11.251 -2.150 1.00 0.00 O ATOM 967 CB ILE A 84 -7.312 -12.980 -4.822 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.912 -12.811 -6.305 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.674 -13.674 -4.682 1.00 0.00 C ATOM 970 CD1 ILE A 84 -7.833 -11.929 -7.155 1.00 0.00 C ATOM 0 H ILE A 84 -5.311 -11.633 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.110 -11.030 -4.514 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.584 -13.629 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.906 -12.394 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.865 -13.799 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.648 -14.634 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.894 -13.835 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.449 -13.047 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.453 -11.884 -8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.838 -12.351 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.864 -10.924 -6.735 1.00 0.00 H new ATOM 982 N THR A 85 -6.550 -12.117 -1.849 1.00 0.00 N ATOM 983 CA THR A 85 -6.633 -12.155 -0.407 1.00 0.00 C ATOM 984 C THR A 85 -6.802 -10.753 0.177 1.00 0.00 C ATOM 985 O THR A 85 -7.631 -10.562 1.066 1.00 0.00 O ATOM 986 CB THR A 85 -5.427 -12.921 0.144 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.408 -14.191 -0.475 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.514 -13.124 1.655 1.00 0.00 C ATOM 0 H THR A 85 -5.664 -12.460 -2.221 1.00 0.00 H new ATOM 0 HA THR A 85 -7.527 -12.695 -0.095 1.00 0.00 H new ATOM 0 HB THR A 85 -4.526 -12.344 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.478 -14.889 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.637 -13.672 2.000 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.554 -12.154 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.413 -13.691 1.895 1.00 0.00 H new ATOM 996 N LEU A 86 -6.072 -9.772 -0.344 1.00 0.00 N ATOM 997 CA LEU A 86 -6.159 -8.370 0.054 1.00 0.00 C ATOM 998 C LEU A 86 -7.565 -7.838 -0.136 1.00 0.00 C ATOM 999 O LEU A 86 -8.159 -7.316 0.805 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.161 -7.540 -0.768 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.198 -6.029 -0.483 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.712 -5.704 0.933 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.348 -5.314 -1.537 1.00 0.00 C ATOM 0 H LEU A 86 -5.382 -9.935 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.911 -8.292 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.154 -7.909 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.360 -7.702 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.229 -5.680 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.754 -4.627 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.351 -6.205 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.685 -6.049 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.363 -4.240 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.322 -5.677 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.753 -5.515 -2.529 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.069 -7.952 -1.359 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.389 -7.494 -1.739 1.00 0.00 C ATOM 1017 C ALA A 87 -10.440 -8.125 -0.829 1.00 0.00 C ATOM 1018 O ALA A 87 -11.249 -7.414 -0.233 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.655 -7.828 -3.207 1.00 0.00 C ATOM 0 H ALA A 87 -7.553 -8.377 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.445 -6.412 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.650 -7.480 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.911 -7.336 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.594 -8.907 -3.351 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.402 -9.451 -0.692 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.330 -10.196 0.146 1.00 0.00 C ATOM 1027 C GLU A 88 -11.228 -9.763 1.608 1.00 0.00 C ATOM 1028 O GLU A 88 -12.247 -9.698 2.295 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.084 -11.704 -0.015 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.569 -12.224 -1.382 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.148 -13.669 -1.681 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -10.546 -14.357 -0.818 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -11.455 -14.168 -2.787 1.00 0.00 O ATOM 0 H GLU A 88 -9.717 -10.040 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.347 -9.977 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.020 -11.912 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.598 -12.242 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.656 -12.157 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.182 -11.573 -2.166 1.00 0.00 H new ATOM 1040 N SER A 89 -10.034 -9.419 2.095 1.00 0.00 N ATOM 1041 CA SER A 89 -9.859 -9.023 3.480 1.00 0.00 C ATOM 1042 C SER A 89 -10.387 -7.608 3.694 1.00 0.00 C ATOM 1043 O SER A 89 -11.060 -7.338 4.686 1.00 0.00 O ATOM 1044 CB SER A 89 -8.396 -9.163 3.892 1.00 0.00 C ATOM 1045 OG SER A 89 -8.290 -9.444 5.269 1.00 0.00 O ATOM 0 H SER A 89 -9.176 -9.409 1.543 1.00 0.00 H new ATOM 0 HA SER A 89 -10.439 -9.687 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.926 -9.960 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.859 -8.243 3.661 1.00 0.00 H new ATOM 0 HG SER A 89 -8.285 -8.605 5.775 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.165 -6.708 2.737 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.756 -5.380 2.753 1.00 0.00 C ATOM 1053 C LEU A 90 -12.278 -5.488 2.715 1.00 0.00 C ATOM 1054 O LEU A 90 -12.954 -4.697 3.367 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.213 -4.538 1.592 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.828 -3.939 1.911 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.158 -3.461 0.626 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.904 -2.762 2.901 1.00 0.00 C ATOM 0 H LEU A 90 -9.568 -6.884 1.929 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.480 -4.873 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.143 -5.157 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.913 -3.733 1.369 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.243 -4.732 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.181 -3.039 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.036 -4.303 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.778 -2.699 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.901 -2.380 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.521 -1.969 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.344 -3.103 3.838 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.846 -6.474 2.022 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.253 -6.802 2.106 1.00 0.00 C ATOM 1072 C GLU A 91 -14.640 -7.319 3.497 1.00 0.00 C ATOM 1073 O GLU A 91 -15.655 -6.882 4.045 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.613 -7.806 1.002 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.893 -7.297 0.356 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.524 -8.296 -0.609 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.845 -9.428 -0.187 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.806 -7.930 -1.775 1.00 0.00 O ATOM 0 H GLU A 91 -12.327 -7.072 1.379 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.831 -5.891 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.811 -7.880 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.758 -8.803 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.613 -7.053 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.678 -6.372 -0.179 1.00 0.00 H new ATOM 1085 N ARG A 92 -13.821 -8.165 4.136 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.000 -8.516 5.550 1.00 0.00 C ATOM 1087 C ARG A 92 -13.954 -7.265 6.441 1.00 0.00 C ATOM 1088 O ARG A 92 -14.534 -7.281 7.528 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.022 -9.622 6.019 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.339 -10.992 5.389 1.00 0.00 C ATOM 1091 CD ARG A 92 -12.628 -12.185 6.056 1.00 0.00 C ATOM 1092 NE ARG A 92 -11.268 -12.464 5.548 1.00 0.00 N ATOM 1093 CZ ARG A 92 -10.095 -12.207 6.151 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -10.024 -11.503 7.274 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -8.958 -12.672 5.644 1.00 0.00 N ATOM 0 H ARG A 92 -13.024 -8.621 3.692 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.996 -8.947 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.002 -9.334 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.066 -9.706 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.416 -11.157 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.063 -10.965 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.568 -12.000 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.241 -13.076 5.920 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.214 -12.904 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.875 -11.140 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.118 -11.325 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.971 -13.229 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.073 -12.472 6.109 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.289 -6.179 6.036 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.316 -4.873 6.703 1.00 0.00 C ATOM 1111 C GLN A 93 -14.442 -3.955 6.196 1.00 0.00 C ATOM 1112 O GLN A 93 -14.587 -2.847 6.719 1.00 0.00 O ATOM 1113 CB GLN A 93 -11.970 -4.151 6.517 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.738 -4.902 7.026 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.584 -4.860 8.544 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.537 -5.076 9.293 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.389 -4.601 9.034 1.00 0.00 N ATOM 0 H GLN A 93 -12.696 -6.185 5.206 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.504 -5.077 7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.834 -3.944 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.022 -3.188 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.797 -5.941 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.846 -4.475 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.607 -4.424 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.246 -4.578 10.044 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.222 -4.353 5.187 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.286 -3.545 4.599 1.00 0.00 C ATOM 1128 C GLY A 94 -15.762 -2.310 3.871 1.00 0.00 C ATOM 1129 O GLY A 94 -16.462 -1.297 3.816 1.00 0.00 O ATOM 0 H GLY A 94 -15.126 -5.269 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.856 -4.157 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.974 -3.233 5.384 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.521 -2.345 3.380 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.779 -1.201 2.858 1.00 0.00 C ATOM 1135 C GLN A 95 -13.151 -1.483 1.486 1.00 0.00 C ATOM 1136 O GLN A 95 -12.360 -0.672 1.005 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.771 -0.733 3.928 1.00 0.00 C ATOM 1138 CG GLN A 95 -13.507 0.043 5.035 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.646 0.289 6.266 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -11.985 1.318 6.382 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -12.665 -0.621 7.222 1.00 0.00 N ATOM 0 H GLN A 95 -13.984 -3.211 3.335 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.466 -0.378 2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.255 -1.593 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.010 -0.100 3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.843 1.000 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.399 -0.511 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.220 -1.469 7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.125 -0.476 8.075 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.519 -2.586 0.826 1.00 0.00 N ATOM 1151 CA LEU A 96 -13.093 -2.893 -0.541 1.00 0.00 C ATOM 1152 C LEU A 96 -13.581 -1.827 -1.526 1.00 0.00 C ATOM 1153 O LEU A 96 -12.867 -1.469 -2.463 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.606 -4.278 -0.937 1.00 0.00 C ATOM 1155 CG LEU A 96 -13.179 -4.708 -2.352 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.662 -4.644 -2.565 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.646 -6.145 -2.553 1.00 0.00 C ATOM 0 H LEU A 96 -14.127 -3.297 1.231 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.004 -2.893 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.242 -5.011 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.694 -4.285 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.628 -4.021 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.424 -4.959 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.316 -3.622 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.167 -5.306 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.360 -6.485 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.182 -6.786 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.730 -6.193 -2.451 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.777 -1.286 -1.292 1.00 0.00 N ATOM 1170 CA ASP A 97 -15.281 -0.131 -2.021 1.00 0.00 C ATOM 1171 C ASP A 97 -14.372 1.070 -1.772 1.00 0.00 C ATOM 1172 O ASP A 97 -13.835 1.649 -2.718 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.720 0.174 -1.614 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.217 1.420 -2.335 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -17.005 2.545 -1.832 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.782 1.269 -3.440 1.00 0.00 O ATOM 0 H ASP A 97 -15.423 -1.641 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.280 -0.353 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.361 -0.674 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.777 0.322 -0.536 1.00 0.00 H new ATOM 1181 N SER A 98 -14.146 1.398 -0.498 1.00 0.00 N ATOM 1182 CA SER A 98 -13.381 2.548 -0.033 1.00 0.00 C ATOM 1183 C SER A 98 -11.969 2.663 -0.618 1.00 0.00 C ATOM 1184 O SER A 98 -11.463 3.779 -0.736 1.00 0.00 O ATOM 1185 CB SER A 98 -13.307 2.503 1.500 1.00 0.00 C ATOM 1186 OG SER A 98 -14.079 3.544 2.065 1.00 0.00 O ATOM 0 H SER A 98 -14.511 0.838 0.272 1.00 0.00 H new ATOM 0 HA SER A 98 -13.910 3.433 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.668 1.539 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.270 2.595 1.823 1.00 0.00 H new ATOM 0 HG SER A 98 -14.022 3.500 3.042 1.00 0.00 H new ATOM 1192 N VAL A 99 -11.315 1.559 -0.982 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.948 1.617 -1.503 1.00 0.00 C ATOM 1194 C VAL A 99 -9.904 1.885 -3.008 1.00 0.00 C ATOM 1195 O VAL A 99 -8.815 2.050 -3.553 1.00 0.00 O ATOM 1196 CB VAL A 99 -9.178 0.339 -1.135 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.991 0.276 0.390 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.867 -0.922 -1.671 1.00 0.00 C ATOM 0 H VAL A 99 -11.707 0.619 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.455 2.466 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.198 0.376 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.445 -0.630 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.429 1.148 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.967 0.265 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.288 -1.801 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.869 -0.996 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.934 -0.866 -2.758 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.057 1.912 -3.682 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.144 2.019 -5.129 1.00 0.00 C ATOM 1210 C GLY A 100 -11.844 0.818 -5.757 1.00 0.00 C ATOM 1211 O GLY A 100 -11.439 0.366 -6.829 1.00 0.00 O ATOM 0 H GLY A 100 -11.967 1.859 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.683 2.929 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.141 2.111 -5.545 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.835 0.252 -5.066 1.00 0.00 N ATOM 1216 CA GLY A 101 -13.755 -0.733 -5.614 1.00 0.00 C ATOM 1217 C GLY A 101 -13.139 -1.988 -6.204 1.00 0.00 C ATOM 1218 O GLY A 101 -13.621 -2.435 -7.245 1.00 0.00 O ATOM 0 H GLY A 101 -13.020 0.474 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.444 -1.031 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.349 -0.249 -6.389 1.00 0.00 H new ATOM 1222 N PHE A 102 -12.104 -2.566 -5.590 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.284 -3.657 -6.141 1.00 0.00 C ATOM 1224 C PHE A 102 -10.445 -3.158 -7.324 1.00 0.00 C ATOM 1225 O PHE A 102 -9.236 -3.376 -7.331 1.00 0.00 O ATOM 1226 CB PHE A 102 -12.137 -4.900 -6.509 1.00 0.00 C ATOM 1227 CG PHE A 102 -11.444 -6.261 -6.529 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.205 -6.464 -7.172 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -12.086 -7.371 -5.943 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.590 -7.726 -7.150 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -11.464 -8.632 -5.907 1.00 0.00 C ATOM 1232 CZ PHE A 102 -10.197 -8.800 -6.487 1.00 0.00 C ATOM 0 H PHE A 102 -11.799 -2.279 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.596 -3.984 -5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.966 -4.957 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.568 -4.730 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.726 -5.643 -7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.070 -7.251 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.642 -7.870 -7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.959 -9.468 -5.435 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.693 -9.753 -6.422 1.00 0.00 H new ATOM 1242 N ALA A 103 -11.040 -2.474 -8.305 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.395 -2.036 -9.532 1.00 0.00 C ATOM 1244 C ALA A 103 -9.084 -1.300 -9.261 1.00 0.00 C ATOM 1245 O ALA A 103 -8.102 -1.568 -9.952 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.355 -1.162 -10.342 1.00 0.00 C ATOM 0 H ALA A 103 -12.022 -2.203 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.144 -2.923 -10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.865 -0.837 -11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.248 -1.736 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.637 -0.289 -9.753 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.022 -0.407 -8.269 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.773 0.308 -7.992 1.00 0.00 C ATOM 1254 C TYR A 104 -6.682 -0.638 -7.476 1.00 0.00 C ATOM 1255 O TYR A 104 -5.510 -0.456 -7.793 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.024 1.459 -7.016 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.979 2.565 -6.982 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.628 3.255 -8.162 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.447 2.996 -5.750 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.772 4.371 -8.109 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.597 4.116 -5.690 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.265 4.818 -6.869 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.504 5.946 -6.787 1.00 0.00 O ATOM 0 H TYR A 104 -9.802 -0.166 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.409 0.729 -8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.987 1.908 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.111 1.042 -6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.019 2.924 -9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.694 2.462 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.502 4.887 -9.019 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -5.198 4.439 -4.740 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.245 6.099 -5.854 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.043 -1.704 -6.753 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.097 -2.734 -6.324 1.00 0.00 C ATOM 1275 C LEU A 105 -5.573 -3.502 -7.535 1.00 0.00 C ATOM 1276 O LEU A 105 -4.384 -3.795 -7.620 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.734 -3.745 -5.361 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.532 -3.188 -4.175 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -8.139 -4.343 -3.372 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.599 -2.375 -3.285 1.00 0.00 C ATOM 0 H LEU A 105 -8.002 -1.875 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.288 -2.218 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.397 -4.389 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.940 -4.378 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.336 -2.550 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.705 -3.943 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.803 -4.923 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.341 -4.986 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.159 -1.976 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.796 -3.015 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.174 -1.552 -3.860 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.451 -3.824 -8.486 1.00 0.00 N ATOM 1293 CA ALA A 106 -6.044 -4.400 -9.758 1.00 0.00 C ATOM 1294 C ALA A 106 -5.216 -3.414 -10.591 1.00 0.00 C ATOM 1295 O ALA A 106 -4.577 -3.826 -11.557 1.00 0.00 O ATOM 1296 CB ALA A 106 -7.276 -4.883 -10.523 1.00 0.00 C ATOM 0 H ALA A 106 -7.458 -3.692 -8.392 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.398 -5.255 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.967 -5.314 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.796 -5.639 -9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.944 -4.041 -10.705 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.238 -2.115 -10.284 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.320 -1.146 -10.861 1.00 0.00 C ATOM 1304 C GLU A 107 -2.947 -1.283 -10.204 1.00 0.00 C ATOM 1305 O GLU A 107 -1.958 -1.345 -10.929 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.882 0.286 -10.775 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.487 1.131 -11.999 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.111 0.666 -13.325 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.898 -0.311 -13.344 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -4.824 1.293 -14.375 1.00 0.00 O ATOM 0 H GLU A 107 -5.900 -1.709 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.202 -1.355 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.968 0.246 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.515 0.766 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.778 2.166 -11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.402 1.117 -12.099 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.880 -1.406 -8.867 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.637 -1.663 -8.121 1.00 0.00 C ATOM 1319 C LEU A 108 -0.952 -2.904 -8.681 1.00 0.00 C ATOM 1320 O LEU A 108 0.204 -2.854 -9.087 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.865 -1.874 -6.607 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.559 -0.743 -5.834 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.791 -1.166 -4.378 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.736 0.543 -5.861 1.00 0.00 C ATOM 0 H LEU A 108 -3.700 -1.328 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.017 -0.775 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.455 -2.782 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.896 -2.055 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.515 -0.549 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.284 -0.357 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.421 -2.055 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.833 -1.387 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.258 1.321 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.763 0.362 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.599 0.866 -6.893 1.00 0.00 H new ATOM 1336 N SER A 109 -1.695 -4.009 -8.765 1.00 0.00 N ATOM 1337 CA SER A 109 -1.228 -5.309 -9.235 1.00 0.00 C ATOM 1338 C SER A 109 -0.894 -5.292 -10.738 1.00 0.00 C ATOM 1339 O SER A 109 -0.508 -6.324 -11.286 1.00 0.00 O ATOM 1340 CB SER A 109 -2.302 -6.359 -8.888 1.00 0.00 C ATOM 1341 OG SER A 109 -1.755 -7.623 -8.547 1.00 0.00 O ATOM 0 H SER A 109 -2.679 -4.020 -8.496 1.00 0.00 H new ATOM 0 HA SER A 109 -0.295 -5.567 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.903 -5.994 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.974 -6.478 -9.738 1.00 0.00 H new ATOM 0 HG SER A 109 -2.480 -8.247 -8.336 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.043 -4.155 -11.427 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.720 -4.004 -12.845 1.00 0.00 C ATOM 1349 C LYS A 110 0.275 -2.878 -13.110 1.00 0.00 C ATOM 1350 O LYS A 110 0.979 -2.929 -14.122 1.00 0.00 O ATOM 1351 CB LYS A 110 -2.039 -3.886 -13.625 1.00 0.00 C ATOM 1352 CG LYS A 110 -1.867 -3.642 -15.133 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.154 -3.845 -15.939 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.367 -3.192 -15.270 1.00 0.00 C ATOM 1355 NZ LYS A 110 -5.579 -3.238 -16.112 1.00 0.00 N ATOM 0 H LYS A 110 -1.399 -3.298 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.190 -4.887 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.615 -4.800 -13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.625 -3.070 -13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.507 -2.625 -15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.099 -4.314 -15.516 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.024 -3.428 -16.938 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.340 -4.912 -16.061 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.568 -3.694 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.132 -2.154 -15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.368 -2.782 -15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.401 -2.736 -17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.823 -4.228 -16.315 1.00 0.00 H new ATOM 1369 N ASN A 111 0.417 -1.906 -12.210 1.00 0.00 N ATOM 1370 CA ASN A 111 1.366 -0.793 -12.335 1.00 0.00 C ATOM 1371 C ASN A 111 2.700 -1.072 -11.669 1.00 0.00 C ATOM 1372 O ASN A 111 3.541 -0.178 -11.539 1.00 0.00 O ATOM 1373 CB ASN A 111 0.777 0.569 -11.901 1.00 0.00 C ATOM 1374 CG ASN A 111 0.426 0.706 -10.420 1.00 0.00 C ATOM 1375 OD1 ASN A 111 1.050 0.116 -9.547 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -0.590 1.490 -10.099 1.00 0.00 N ATOM 0 H ASN A 111 -0.135 -1.867 -11.353 1.00 0.00 H new ATOM 0 HA ASN A 111 1.563 -0.712 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.492 1.350 -12.158 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.123 0.756 -12.486 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.856 1.605 -9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.107 1.980 -10.829 1.00 0.00 H new ATOM 1383 N THR A 112 2.921 -2.322 -11.300 1.00 0.00 N ATOM 1384 CA THR A 112 4.134 -2.725 -10.620 1.00 0.00 C ATOM 1385 C THR A 112 5.286 -2.749 -11.623 1.00 0.00 C ATOM 1386 O THR A 112 5.192 -3.455 -12.633 1.00 0.00 O ATOM 1387 CB THR A 112 3.983 -4.077 -9.917 1.00 0.00 C ATOM 1388 OG1 THR A 112 2.652 -4.269 -9.475 1.00 0.00 O ATOM 1389 CG2 THR A 112 4.963 -4.153 -8.741 1.00 0.00 C ATOM 0 H THR A 112 2.263 -3.084 -11.465 1.00 0.00 H new ATOM 0 HA THR A 112 4.348 -1.997 -9.837 1.00 0.00 H new ATOM 0 HB THR A 112 4.214 -4.873 -10.625 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.278 -5.068 -9.901 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.856 -5.115 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.983 -4.047 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.748 -3.351 -8.035 1.00 0.00 H new ATOM 1397 N PRO A 113 6.407 -2.064 -11.350 1.00 0.00 N ATOM 1398 CA PRO A 113 7.642 -2.207 -12.117 1.00 0.00 C ATOM 1399 C PRO A 113 8.339 -3.541 -11.763 1.00 0.00 C ATOM 1400 O PRO A 113 9.555 -3.580 -11.587 1.00 0.00 O ATOM 1401 CB PRO A 113 8.460 -0.961 -11.745 1.00 0.00 C ATOM 1402 CG PRO A 113 8.055 -0.717 -10.296 1.00 0.00 C ATOM 1403 CD PRO A 113 6.576 -1.073 -10.291 1.00 0.00 C ATOM 0 HA PRO A 113 7.493 -2.257 -13.196 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.531 -1.136 -11.842 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.216 -0.111 -12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.623 -1.342 -9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.222 0.318 -9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.273 -1.476 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.960 -0.193 -10.476 1.00 0.00 H new ATOM 1411 N SER A 114 7.579 -4.631 -11.594 1.00 0.00 N ATOM 1412 CA SER A 114 8.020 -5.950 -11.142 1.00 0.00 C ATOM 1413 C SER A 114 8.909 -5.897 -9.884 1.00 0.00 C ATOM 1414 O SER A 114 9.841 -6.689 -9.738 1.00 0.00 O ATOM 1415 CB SER A 114 8.653 -6.691 -12.325 1.00 0.00 C ATOM 1416 OG SER A 114 8.630 -8.084 -12.102 1.00 0.00 O ATOM 0 H SER A 114 6.577 -4.610 -11.782 1.00 0.00 H new ATOM 0 HA SER A 114 7.153 -6.520 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.113 -6.454 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.681 -6.356 -12.465 1.00 0.00 H new ATOM 0 HG SER A 114 9.003 -8.280 -11.217 1.00 0.00 H new ATOM 1422 N ALA A 115 8.627 -4.962 -8.966 1.00 0.00 N ATOM 1423 CA ALA A 115 9.387 -4.730 -7.737 1.00 0.00 C ATOM 1424 C ALA A 115 10.877 -4.417 -7.993 1.00 0.00 C ATOM 1425 O ALA A 115 11.666 -4.502 -7.053 1.00 0.00 O ATOM 1426 CB ALA A 115 9.187 -5.913 -6.765 1.00 0.00 C ATOM 0 H ALA A 115 7.836 -4.326 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 115 8.992 -3.829 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.755 -5.734 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.129 -6.008 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.535 -6.833 -7.235 1.00 0.00 H new ATOM 1432 N ALA A 116 11.274 -4.044 -9.218 1.00 0.00 N ATOM 1433 CA ALA A 116 12.663 -3.941 -9.668 1.00 0.00 C ATOM 1434 C ALA A 116 13.592 -3.254 -8.667 1.00 0.00 C ATOM 1435 O ALA A 116 14.641 -3.813 -8.344 1.00 0.00 O ATOM 1436 CB ALA A 116 12.726 -3.241 -11.029 1.00 0.00 C ATOM 0 H ALA A 116 10.607 -3.797 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 116 13.030 -4.963 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.764 -3.170 -11.354 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.155 -3.814 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.303 -2.240 -10.943 1.00 0.00 H new ATOM 1442 N ASN A 117 13.215 -2.073 -8.172 1.00 0.00 N ATOM 1443 CA ASN A 117 13.979 -1.273 -7.214 1.00 0.00 C ATOM 1444 C ASN A 117 13.130 -1.034 -5.964 1.00 0.00 C ATOM 1445 O ASN A 117 12.996 0.094 -5.500 1.00 0.00 O ATOM 1446 CB ASN A 117 14.502 0.024 -7.865 1.00 0.00 C ATOM 1447 CG ASN A 117 15.613 -0.180 -8.887 1.00 0.00 C ATOM 1448 OD1 ASN A 117 16.136 -1.274 -9.075 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.017 0.867 -9.580 1.00 0.00 N ATOM 0 H ASN A 117 12.335 -1.631 -8.438 1.00 0.00 H new ATOM 0 HA ASN A 117 14.870 -1.817 -6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.669 0.532 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.866 0.687 -7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.762 0.766 -10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.585 1.778 -9.426 1.00 0.00 H new ATOM 1456 N ILE A 118 12.544 -2.099 -5.410 1.00 0.00 N ATOM 1457 CA ILE A 118 11.650 -2.084 -4.248 1.00 0.00 C ATOM 1458 C ILE A 118 12.160 -1.245 -3.097 1.00 0.00 C ATOM 1459 O ILE A 118 11.453 -0.370 -2.595 1.00 0.00 O ATOM 1460 CB ILE A 118 11.383 -3.541 -3.816 1.00 0.00 C ATOM 1461 CG1 ILE A 118 10.271 -3.691 -2.757 1.00 0.00 C ATOM 1462 CG2 ILE A 118 12.633 -4.339 -3.392 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.927 -3.087 -3.181 1.00 0.00 C ATOM 0 H ILE A 118 12.687 -3.040 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 118 10.719 -1.603 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 118 11.026 -3.990 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.130 -4.750 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.597 -3.216 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 118 12.340 -5.349 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 118 13.335 -4.386 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 118 13.109 -3.846 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.196 -3.231 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 118 9.051 -2.021 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.577 -3.579 -4.089 1.00 0.00 H new ATOM 1475 N SER A 119 13.394 -1.525 -2.700 1.00 0.00 N ATOM 1476 CA SER A 119 14.039 -0.804 -1.616 1.00 0.00 C ATOM 1477 C SER A 119 14.079 0.672 -1.951 1.00 0.00 C ATOM 1478 O SER A 119 13.797 1.477 -1.079 1.00 0.00 O ATOM 1479 CB SER A 119 15.450 -1.339 -1.330 1.00 0.00 C ATOM 1480 OG SER A 119 16.084 -0.669 -0.246 1.00 0.00 O ATOM 0 H SER A 119 13.971 -2.254 -3.119 1.00 0.00 H new ATOM 0 HA SER A 119 13.456 -0.956 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.392 -2.405 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.063 -1.233 -2.225 1.00 0.00 H new ATOM 0 HG SER A 119 16.108 0.294 -0.426 1.00 0.00 H new ATOM 1486 N ALA A 120 14.401 1.027 -3.191 1.00 0.00 N ATOM 1487 CA ALA A 120 14.475 2.418 -3.600 1.00 0.00 C ATOM 1488 C ALA A 120 13.105 3.079 -3.519 1.00 0.00 C ATOM 1489 O ALA A 120 13.026 4.221 -3.077 1.00 0.00 O ATOM 1490 CB ALA A 120 15.068 2.546 -5.005 1.00 0.00 C ATOM 0 H ALA A 120 14.616 0.361 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 120 15.140 2.939 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.112 3.598 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.073 2.125 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.441 2.006 -5.715 1.00 0.00 H new ATOM 1496 N TYR A 121 12.025 2.385 -3.893 1.00 0.00 N ATOM 1497 CA TYR A 121 10.689 2.943 -3.812 1.00 0.00 C ATOM 1498 C TYR A 121 10.353 3.212 -2.351 1.00 0.00 C ATOM 1499 O TYR A 121 9.980 4.330 -2.004 1.00 0.00 O ATOM 1500 CB TYR A 121 9.662 1.980 -4.417 1.00 0.00 C ATOM 1501 CG TYR A 121 9.965 1.391 -5.778 1.00 0.00 C ATOM 1502 CD1 TYR A 121 10.720 2.100 -6.732 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.515 0.088 -6.065 1.00 0.00 C ATOM 1504 CE1 TYR A 121 11.075 1.486 -7.941 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.877 -0.536 -7.268 1.00 0.00 C ATOM 1506 CZ TYR A 121 10.662 0.164 -8.207 1.00 0.00 C ATOM 1507 OH TYR A 121 11.022 -0.443 -9.367 1.00 0.00 O ATOM 0 H TYR A 121 12.060 1.432 -4.255 1.00 0.00 H new ATOM 0 HA TYR A 121 10.655 3.874 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.524 1.155 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.709 2.505 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 121 11.025 3.116 -6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.889 -0.433 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 121 11.664 2.025 -8.668 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.556 -1.547 -7.474 1.00 0.00 H new ATOM 0 HH TYR A 121 11.885 -0.089 -9.667 1.00 0.00 H new ATOM 1517 N ALA A 122 10.507 2.199 -1.495 1.00 0.00 N ATOM 1518 CA ALA A 122 10.165 2.327 -0.087 1.00 0.00 C ATOM 1519 C ALA A 122 11.078 3.339 0.614 1.00 0.00 C ATOM 1520 O ALA A 122 10.601 4.126 1.429 1.00 0.00 O ATOM 1521 CB ALA A 122 10.205 0.940 0.560 1.00 0.00 C ATOM 0 H ALA A 122 10.867 1.282 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 122 9.154 2.721 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.950 1.024 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.487 0.286 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.206 0.521 0.461 1.00 0.00 H new ATOM 1527 N ASP A 123 12.368 3.368 0.270 1.00 0.00 N ATOM 1528 CA ASP A 123 13.329 4.336 0.788 1.00 0.00 C ATOM 1529 C ASP A 123 12.865 5.733 0.398 1.00 0.00 C ATOM 1530 O ASP A 123 12.896 6.627 1.231 1.00 0.00 O ATOM 1531 CB ASP A 123 14.754 4.118 0.239 1.00 0.00 C ATOM 1532 CG ASP A 123 15.583 3.025 0.926 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.738 3.050 2.169 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.257 2.231 0.224 1.00 0.00 O ATOM 0 H ASP A 123 12.778 2.706 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 123 13.373 4.210 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.680 3.877 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.298 5.059 0.314 1.00 0.00 H new ATOM 1539 N ILE A 124 12.417 5.943 -0.845 1.00 0.00 N ATOM 1540 CA ILE A 124 11.923 7.231 -1.315 1.00 0.00 C ATOM 1541 C ILE A 124 10.674 7.639 -0.538 1.00 0.00 C ATOM 1542 O ILE A 124 10.625 8.785 -0.098 1.00 0.00 O ATOM 1543 CB ILE A 124 11.744 7.209 -2.853 1.00 0.00 C ATOM 1544 CG1 ILE A 124 13.152 7.356 -3.477 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.802 8.312 -3.380 1.00 0.00 C ATOM 1546 CD1 ILE A 124 13.247 6.919 -4.937 1.00 0.00 C ATOM 0 H ILE A 124 12.389 5.212 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 124 12.658 8.011 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 124 11.270 6.269 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.462 8.398 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.859 6.771 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.724 8.236 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.814 8.190 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.202 9.290 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 124 14.268 7.056 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.972 5.868 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 124 12.569 7.521 -5.542 1.00 0.00 H new ATOM 1558 N VAL A 125 9.694 6.749 -0.345 1.00 0.00 N ATOM 1559 CA VAL A 125 8.491 7.064 0.426 1.00 0.00 C ATOM 1560 C VAL A 125 8.904 7.518 1.833 1.00 0.00 C ATOM 1561 O VAL A 125 8.498 8.603 2.262 1.00 0.00 O ATOM 1562 CB VAL A 125 7.519 5.865 0.412 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.299 6.072 1.323 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.989 5.611 -1.011 1.00 0.00 C ATOM 0 H VAL A 125 9.713 5.799 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 125 7.943 7.891 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 125 8.097 5.017 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.653 5.196 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.633 6.216 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.745 6.951 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.306 4.762 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.461 6.496 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.824 5.395 -1.677 1.00 0.00 H new ATOM 1574 N ARG A 126 9.769 6.751 2.513 1.00 0.00 N ATOM 1575 CA ARG A 126 10.330 7.142 3.807 1.00 0.00 C ATOM 1576 C ARG A 126 10.968 8.521 3.706 1.00 0.00 C ATOM 1577 O ARG A 126 10.692 9.388 4.529 1.00 0.00 O ATOM 1578 CB ARG A 126 11.327 6.069 4.286 1.00 0.00 C ATOM 1579 CG ARG A 126 11.948 6.340 5.666 1.00 0.00 C ATOM 1580 CD ARG A 126 13.217 7.201 5.634 1.00 0.00 C ATOM 1581 NE ARG A 126 13.821 7.282 6.972 1.00 0.00 N ATOM 1582 CZ ARG A 126 14.781 8.130 7.352 1.00 0.00 C ATOM 1583 NH1 ARG A 126 15.295 9.005 6.495 1.00 0.00 N ATOM 1584 NH2 ARG A 126 15.214 8.121 8.604 1.00 0.00 N ATOM 0 H ARG A 126 10.096 5.845 2.179 1.00 0.00 H new ATOM 0 HA ARG A 126 9.536 7.209 4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.817 5.106 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.129 5.984 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.206 6.832 6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.183 5.386 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.933 6.776 4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.975 8.202 5.277 1.00 0.00 H new ATOM 0 HE ARG A 126 13.475 6.630 7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.957 9.035 5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.027 9.647 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.815 7.467 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.947 8.768 8.895 1.00 0.00 H new ATOM 1598 N GLU A 127 11.836 8.743 2.725 1.00 0.00 N ATOM 1599 CA GLU A 127 12.615 9.964 2.629 1.00 0.00 C ATOM 1600 C GLU A 127 11.721 11.183 2.405 1.00 0.00 C ATOM 1601 O GLU A 127 12.005 12.254 2.946 1.00 0.00 O ATOM 1602 CB GLU A 127 13.653 9.859 1.498 1.00 0.00 C ATOM 1603 CG GLU A 127 15.017 10.403 1.927 1.00 0.00 C ATOM 1604 CD GLU A 127 15.842 9.394 2.736 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.380 8.883 3.776 1.00 0.00 O ATOM 1606 OE2 GLU A 127 17.018 9.165 2.357 1.00 0.00 O ATOM 0 H GLU A 127 12.017 8.077 1.974 1.00 0.00 H new ATOM 0 HA GLU A 127 13.135 10.094 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.756 8.817 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 127 13.299 10.411 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 127 15.580 10.695 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.871 11.304 2.523 1.00 0.00 H new ATOM 1613 N ARG A 128 10.660 11.067 1.594 1.00 0.00 N ATOM 1614 CA ARG A 128 9.750 12.191 1.382 1.00 0.00 C ATOM 1615 C ARG A 128 8.921 12.425 2.643 1.00 0.00 C ATOM 1616 O ARG A 128 8.711 13.591 2.986 1.00 0.00 O ATOM 1617 CB ARG A 128 8.849 12.019 0.142 1.00 0.00 C ATOM 1618 CG ARG A 128 9.555 11.773 -1.209 1.00 0.00 C ATOM 1619 CD ARG A 128 10.853 12.547 -1.452 1.00 0.00 C ATOM 1620 NE ARG A 128 11.529 12.082 -2.679 1.00 0.00 N ATOM 1621 CZ ARG A 128 12.826 11.770 -2.804 1.00 0.00 C ATOM 1622 NH1 ARG A 128 13.689 11.948 -1.812 1.00 0.00 N ATOM 1623 NH2 ARG A 128 13.286 11.248 -3.931 1.00 0.00 N ATOM 0 H ARG A 128 10.417 10.218 1.083 1.00 0.00 H new ATOM 0 HA ARG A 128 10.360 13.071 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.173 11.184 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 128 8.233 12.913 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.772 10.708 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.856 12.019 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.635 13.612 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.519 12.424 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 128 10.951 11.989 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.371 12.333 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.670 11.700 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.651 11.081 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.275 11.013 -4.018 1.00 0.00 H new ATOM 1637 N ALA A 129 8.491 11.372 3.344 1.00 0.00 N ATOM 1638 CA ALA A 129 7.771 11.493 4.605 1.00 0.00 C ATOM 1639 C ALA A 129 8.642 12.167 5.672 1.00 0.00 C ATOM 1640 O ALA A 129 8.163 13.050 6.384 1.00 0.00 O ATOM 1641 CB ALA A 129 7.292 10.111 5.067 1.00 0.00 C ATOM 0 H ALA A 129 8.636 10.407 3.046 1.00 0.00 H new ATOM 0 HA ALA A 129 6.898 12.127 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.755 10.209 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.629 9.685 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.152 9.456 5.206 1.00 0.00 H new ATOM 1647 N VAL A 130 9.916 11.784 5.792 1.00 0.00 N ATOM 1648 CA VAL A 130 10.868 12.410 6.706 1.00 0.00 C ATOM 1649 C VAL A 130 11.156 13.856 6.295 1.00 0.00 C ATOM 1650 O VAL A 130 11.214 14.729 7.155 1.00 0.00 O ATOM 1651 CB VAL A 130 12.125 11.529 6.857 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.250 12.217 7.643 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.747 10.244 7.612 1.00 0.00 C ATOM 0 H VAL A 130 10.318 11.020 5.249 1.00 0.00 H new ATOM 0 HA VAL A 130 10.429 12.479 7.701 1.00 0.00 H new ATOM 0 HB VAL A 130 12.490 11.325 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.106 11.546 7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.547 13.131 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.897 12.463 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.630 9.614 7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.358 10.502 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 130 10.984 9.703 7.051 1.00 0.00 H new ATOM 1663 N VAL A 131 11.241 14.175 5.007 1.00 0.00 N ATOM 1664 CA VAL A 131 11.369 15.576 4.601 1.00 0.00 C ATOM 1665 C VAL A 131 10.112 16.359 5.008 1.00 0.00 C ATOM 1666 O VAL A 131 10.212 17.525 5.391 1.00 0.00 O ATOM 1667 CB VAL A 131 11.715 15.663 3.104 1.00 0.00 C ATOM 1668 CG1 VAL A 131 11.355 17.004 2.457 1.00 0.00 C ATOM 1669 CG2 VAL A 131 13.227 15.444 2.947 1.00 0.00 C ATOM 0 H VAL A 131 11.224 13.502 4.240 1.00 0.00 H new ATOM 0 HA VAL A 131 12.198 16.051 5.125 1.00 0.00 H new ATOM 0 HB VAL A 131 11.123 14.900 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 131 11.630 16.985 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 131 10.283 17.176 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.896 17.807 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 131 13.495 15.501 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.765 16.213 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 131 13.495 14.462 3.336 1.00 0.00 H new ATOM 1679 N ARG A 132 8.935 15.726 4.996 1.00 0.00 N ATOM 1680 CA ARG A 132 7.721 16.356 5.497 1.00 0.00 C ATOM 1681 C ARG A 132 7.804 16.621 7.000 1.00 0.00 C ATOM 1682 O ARG A 132 7.337 17.670 7.450 1.00 0.00 O ATOM 1683 CB ARG A 132 6.482 15.524 5.101 1.00 0.00 C ATOM 1684 CG ARG A 132 5.229 16.387 4.897 1.00 0.00 C ATOM 1685 CD ARG A 132 5.328 17.180 3.592 1.00 0.00 C ATOM 1686 NE ARG A 132 4.325 18.254 3.530 1.00 0.00 N ATOM 1687 CZ ARG A 132 4.565 19.544 3.268 1.00 0.00 C ATOM 1688 NH1 ARG A 132 5.772 19.939 2.878 1.00 0.00 N ATOM 1689 NH2 ARG A 132 3.584 20.427 3.379 1.00 0.00 N ATOM 0 H ARG A 132 8.803 14.778 4.644 1.00 0.00 H new ATOM 0 HA ARG A 132 7.616 17.334 5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.695 14.977 4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.285 14.782 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.343 15.752 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 132 5.112 17.072 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 132 6.326 17.609 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 132 5.193 16.506 2.746 1.00 0.00 H new ATOM 0 HE ARG A 132 3.355 17.991 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 132 6.524 19.257 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.947 20.924 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.653 20.122 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.760 21.412 3.181 1.00 0.00 H new ATOM 1703 N GLU A 133 8.438 15.727 7.757 1.00 0.00 N ATOM 1704 CA GLU A 133 8.696 15.910 9.187 1.00 0.00 C ATOM 1705 C GLU A 133 9.708 17.038 9.402 1.00 0.00 C ATOM 1706 O GLU A 133 9.559 17.811 10.342 1.00 0.00 O ATOM 1707 CB GLU A 133 9.053 14.572 9.881 1.00 0.00 C ATOM 1708 CG GLU A 133 10.503 14.310 10.346 1.00 0.00 C ATOM 1709 CD GLU A 133 10.954 15.161 11.535 1.00 0.00 C ATOM 1710 OE1 GLU A 133 10.329 15.092 12.621 1.00 0.00 O ATOM 1711 OE2 GLU A 133 11.976 15.877 11.428 1.00 0.00 O ATOM 0 H GLU A 133 8.792 14.843 7.391 1.00 0.00 H new ATOM 0 HA GLU A 133 7.781 16.232 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.409 14.478 10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.781 13.768 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.601 13.257 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.177 14.492 9.509 1.00 0.00 H new ATOM 1718 N MET A 134 10.685 17.195 8.505 1.00 0.00 N ATOM 1719 CA MET A 134 11.668 18.277 8.517 1.00 0.00 C ATOM 1720 C MET A 134 11.073 19.624 8.075 1.00 0.00 C ATOM 1721 O MET A 134 11.790 20.625 8.092 1.00 0.00 O ATOM 1722 CB MET A 134 12.867 17.887 7.634 1.00 0.00 C ATOM 1723 CG MET A 134 13.902 17.059 8.400 1.00 0.00 C ATOM 1724 SD MET A 134 14.921 18.074 9.510 1.00 0.00 S ATOM 1725 CE MET A 134 16.066 16.833 10.160 1.00 0.00 C ATOM 0 H MET A 134 10.816 16.550 7.726 1.00 0.00 H new ATOM 0 HA MET A 134 12.000 18.416 9.546 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.513 17.318 6.774 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.340 18.789 7.247 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.391 16.292 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 134 14.548 16.543 7.690 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.757 17.306 10.858 1.00 0.00 H new ATOM 0 HE2 MET A 134 15.504 16.054 10.676 1.00 0.00 H new ATOM 0 HE3 MET A 134 16.628 16.390 9.338 1.00 0.00 H new ATOM 1735 N ILE A 135 9.786 19.682 7.714 1.00 0.00 N ATOM 1736 CA ILE A 135 8.960 20.870 7.469 1.00 0.00 C ATOM 1737 C ILE A 135 9.379 21.682 6.221 1.00 0.00 C ATOM 1738 O ILE A 135 8.571 22.471 5.720 1.00 0.00 O ATOM 1739 CB ILE A 135 8.856 21.724 8.770 1.00 0.00 C ATOM 1740 CG1 ILE A 135 8.444 20.898 10.021 1.00 0.00 C ATOM 1741 CG2 ILE A 135 7.865 22.897 8.652 1.00 0.00 C ATOM 1742 CD1 ILE A 135 9.567 20.798 11.062 1.00 0.00 C ATOM 0 H ILE A 135 9.250 18.826 7.574 1.00 0.00 H new ATOM 0 HA ILE A 135 7.957 20.526 7.215 1.00 0.00 H new ATOM 0 HB ILE A 135 9.869 22.106 8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.568 21.355 10.481 1.00 0.00 H new ATOM 0 HG13 ILE A 135 8.153 19.895 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 135 7.841 23.449 9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.182 23.562 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.869 22.511 8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 135 9.223 20.210 11.913 1.00 0.00 H new ATOM 0 HD12 ILE A 135 10.436 20.315 10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 135 9.841 21.798 11.398 1.00 0.00 H new ATOM 1754 N SER A 136 10.585 21.507 5.679 1.00 0.00 N ATOM 1755 CA SER A 136 11.170 22.353 4.643 1.00 0.00 C ATOM 1756 C SER A 136 10.999 21.733 3.266 1.00 0.00 C ATOM 1757 O SER A 136 12.003 21.417 2.593 1.00 0.00 O ATOM 1758 CB SER A 136 12.641 22.589 4.991 1.00 0.00 C ATOM 1759 OG SER A 136 12.761 23.175 6.276 1.00 0.00 O ATOM 1760 OXT SER A 136 9.854 21.616 2.781 1.00 0.00 O ATOM 0 H SER A 136 11.201 20.745 5.961 1.00 0.00 H new ATOM 0 HA SER A 136 10.654 23.312 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 136 13.183 21.644 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 136 13.097 23.239 4.245 1.00 0.00 H new ATOM 0 HG SER A 136 12.559 22.504 6.962 1.00 0.00 H new TER 1766 SER A 136