USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 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 80 THR OG1 : rot 91:sc= 0.00333 USER MOD Set 1.2: A 103 ASN : amide:sc= -0.0453 K(o=-0.042,f=-1.8) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.144 (180deg=-0.644) USER MOD Single : A 7 HIS : no HD1:sc= -8.4 K(o=-8.4,f=-11!) USER MOD Single : A 9 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-5.8!) USER MOD Single : A 10 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.4!) USER MOD Single : A 13 GLN : amide:sc= -2.13 K(o=-2.1,f=-10!) USER MOD Single : A 16 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 20 SER OG : rot 75:sc= 1.23 USER MOD Single : A 32 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.12) USER MOD Single : A 37 THR OG1 : rot 160:sc= -1.01 USER MOD Single : A 38 CYS SG : rot 159:sc= -0.876 USER MOD Single : A 39 MET CE :methyl 172:sc= -0.0042 (180deg=-0.137) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 178:sc= -4.32! (180deg=-4.41!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0888 X(o=-0.089,f=0.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -39:sc= 0.416 USER MOD Single : A 79 CYS SG : rot -2:sc= 0.91 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -0.39 K(o=-0.39,f=-3.4) USER MOD Single : A 91 MET CE :methyl 164:sc= 0 (180deg=-0.353) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.24! C(o=-1.2!,f=-3.8!) USER MOD Single : A 112 MET CE :methyl -147:sc= -5.02! (180deg=-5.49!) USER MOD Single : A 118 THR OG1 : rot 79:sc= 0.811 USER MOD Single : A 120 TYR OH : rot 62:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -6.355 11.795 -9.795 1.00 0.00 N ATOM 36 CA MET A 4 -6.812 10.504 -10.296 1.00 0.00 C ATOM 37 C MET A 4 -6.558 9.402 -9.274 1.00 0.00 C ATOM 38 O MET A 4 -7.481 8.937 -8.604 1.00 0.00 O ATOM 39 CB MET A 4 -6.111 10.168 -11.613 1.00 0.00 C ATOM 40 CG MET A 4 -6.819 10.719 -12.839 1.00 0.00 C ATOM 41 SD MET A 4 -5.869 10.488 -14.353 1.00 0.00 S ATOM 42 CE MET A 4 -5.570 8.724 -14.300 1.00 0.00 C ATOM 0 HA MET A 4 -7.886 10.570 -10.471 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.095 10.561 -11.584 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.032 9.085 -11.706 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.788 10.230 -12.945 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.012 11.782 -12.695 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.251 8.379 -15.284 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.790 8.509 -13.569 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.487 8.208 -14.015 1.00 0.00 H new ATOM 52 N LEU A 5 -5.299 8.985 -9.159 1.00 0.00 N ATOM 53 CA LEU A 5 -4.918 7.936 -8.222 1.00 0.00 C ATOM 54 C LEU A 5 -5.466 8.217 -6.824 1.00 0.00 C ATOM 55 O LEU A 5 -5.567 9.371 -6.409 1.00 0.00 O ATOM 56 CB LEU A 5 -3.396 7.802 -8.168 1.00 0.00 C ATOM 57 CG LEU A 5 -2.774 6.992 -9.307 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.146 5.523 -9.182 1.00 0.00 C ATOM 59 CD2 LEU A 5 -3.214 7.543 -10.655 1.00 0.00 C ATOM 0 H LEU A 5 -4.524 9.360 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.349 6.999 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.959 8.800 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.121 7.338 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.690 7.078 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.695 4.962 -10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.780 5.135 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.230 5.417 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.762 6.955 -11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.300 7.488 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.896 8.582 -10.745 1.00 0.00 H new ATOM 71 N PRO A 6 -5.829 7.160 -6.076 1.00 0.00 N ATOM 72 CA PRO A 6 -6.369 7.301 -4.721 1.00 0.00 C ATOM 73 C PRO A 6 -5.297 7.689 -3.707 1.00 0.00 C ATOM 74 O PRO A 6 -4.355 6.937 -3.464 1.00 0.00 O ATOM 75 CB PRO A 6 -6.914 5.908 -4.413 1.00 0.00 C ATOM 76 CG PRO A 6 -6.086 4.986 -5.240 1.00 0.00 C ATOM 77 CD PRO A 6 -5.743 5.746 -6.493 1.00 0.00 C ATOM 0 HA PRO A 6 -7.117 8.091 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.827 5.674 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.970 5.830 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.184 4.687 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.635 4.074 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.746 5.494 -6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.440 5.523 -7.301 1.00 0.00 H new ATOM 85 N HIS A 7 -5.451 8.871 -3.120 1.00 0.00 N ATOM 86 CA HIS A 7 -4.498 9.365 -2.132 1.00 0.00 C ATOM 87 C HIS A 7 -5.121 9.384 -0.738 1.00 0.00 C ATOM 88 O HIS A 7 -6.197 8.828 -0.519 1.00 0.00 O ATOM 89 CB HIS A 7 -4.021 10.769 -2.513 1.00 0.00 C ATOM 90 CG HIS A 7 -2.536 10.879 -2.655 1.00 0.00 C ATOM 91 ND1 HIS A 7 -1.704 11.237 -1.614 1.00 0.00 N ATOM 92 CD2 HIS A 7 -1.730 10.679 -3.725 1.00 0.00 C ATOM 93 CE1 HIS A 7 -0.452 11.253 -2.038 1.00 0.00 C ATOM 94 NE2 HIS A 7 -0.442 10.916 -3.315 1.00 0.00 N ATOM 0 H HIS A 7 -6.227 9.505 -3.311 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.642 8.690 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.490 11.060 -3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.359 11.476 -1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.043 10.387 -4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.414 11.499 -1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 7 0.389 10.844 -3.902 1.00 0.00 H new ATOM 103 N LEU A 8 -4.435 10.030 0.200 1.00 0.00 N ATOM 104 CA LEU A 8 -4.917 10.127 1.573 1.00 0.00 C ATOM 105 C LEU A 8 -4.316 11.341 2.273 1.00 0.00 C ATOM 106 O LEU A 8 -3.120 11.373 2.563 1.00 0.00 O ATOM 107 CB LEU A 8 -4.574 8.854 2.350 1.00 0.00 C ATOM 108 CG LEU A 8 -5.420 7.631 1.996 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.971 6.421 2.800 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.895 7.917 2.238 1.00 0.00 C ATOM 0 H LEU A 8 -3.542 10.495 0.034 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.000 10.244 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.525 8.613 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.684 9.056 3.415 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.281 7.410 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.584 5.560 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.926 6.204 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.080 6.630 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.483 7.036 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.050 8.163 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.209 8.757 1.618 1.00 0.00 H new ATOM 122 N HIS A 9 -5.152 12.339 2.540 1.00 0.00 N ATOM 123 CA HIS A 9 -4.701 13.556 3.205 1.00 0.00 C ATOM 124 C HIS A 9 -5.329 13.693 4.588 1.00 0.00 C ATOM 125 O HIS A 9 -4.713 14.228 5.510 1.00 0.00 O ATOM 126 CB HIS A 9 -5.044 14.781 2.355 1.00 0.00 C ATOM 127 CG HIS A 9 -4.274 16.008 2.734 1.00 0.00 C ATOM 128 ND1 HIS A 9 -4.212 16.489 4.026 1.00 0.00 N ATOM 129 CD2 HIS A 9 -3.529 16.855 1.984 1.00 0.00 C ATOM 130 CE1 HIS A 9 -3.464 17.577 4.053 1.00 0.00 C ATOM 131 NE2 HIS A 9 -3.038 17.821 2.828 1.00 0.00 N ATOM 0 H HIS A 9 -6.145 12.329 2.306 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.620 13.492 3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.852 14.551 1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.110 14.989 2.446 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -4.672 16.070 4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.354 16.784 0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.239 18.167 4.929 1.00 0.00 H new ATOM 140 N ASN A 10 -6.558 13.206 4.727 1.00 0.00 N ATOM 141 CA ASN A 10 -7.268 13.276 5.999 1.00 0.00 C ATOM 142 C ASN A 10 -7.198 11.942 6.736 1.00 0.00 C ATOM 143 O ASN A 10 -7.373 10.881 6.137 1.00 0.00 O ATOM 144 CB ASN A 10 -8.728 13.671 5.771 1.00 0.00 C ATOM 145 CG ASN A 10 -8.931 15.172 5.798 1.00 0.00 C ATOM 146 OD1 ASN A 10 -8.083 15.917 6.288 1.00 0.00 O ATOM 147 ND2 ASN A 10 -10.064 15.626 5.270 1.00 0.00 N ATOM 0 H ASN A 10 -7.082 12.759 3.975 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.786 14.035 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.062 13.279 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.350 13.209 6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.257 16.628 5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.740 14.973 4.874 1.00 0.00 H new ATOM 154 N GLY A 11 -6.942 12.005 8.039 1.00 0.00 N ATOM 155 CA GLY A 11 -6.855 10.796 8.836 1.00 0.00 C ATOM 156 C GLY A 11 -8.135 9.982 8.796 1.00 0.00 C ATOM 157 O GLY A 11 -8.100 8.755 8.877 1.00 0.00 O ATOM 0 H GLY A 11 -6.793 12.871 8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.028 10.185 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.628 11.061 9.869 1.00 0.00 H new ATOM 161 N TRP A 12 -9.266 10.669 8.671 1.00 0.00 N ATOM 162 CA TRP A 12 -10.562 10.002 8.619 1.00 0.00 C ATOM 163 C TRP A 12 -10.659 9.098 7.395 1.00 0.00 C ATOM 164 O TRP A 12 -11.194 7.991 7.469 1.00 0.00 O ATOM 165 CB TRP A 12 -11.689 11.035 8.596 1.00 0.00 C ATOM 166 CG TRP A 12 -13.016 10.476 9.011 1.00 0.00 C ATOM 167 CD1 TRP A 12 -14.027 10.068 8.190 1.00 0.00 C ATOM 168 CD2 TRP A 12 -13.476 10.265 10.351 1.00 0.00 C ATOM 169 NE1 TRP A 12 -15.088 9.616 8.937 1.00 0.00 N ATOM 170 CE2 TRP A 12 -14.774 9.726 10.266 1.00 0.00 C ATOM 171 CE3 TRP A 12 -12.916 10.477 11.614 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -15.519 9.399 11.397 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -13.656 10.152 12.734 1.00 0.00 C ATOM 174 CH2 TRP A 12 -14.946 9.617 12.619 1.00 0.00 C ATOM 0 H TRP A 12 -9.311 11.686 8.604 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.662 9.385 9.512 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.428 11.861 9.257 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.775 11.446 7.590 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.997 10.096 7.111 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -15.966 9.257 8.563 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -11.922 10.888 11.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -16.514 8.988 11.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.233 10.313 13.715 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -15.499 9.372 13.514 1.00 0.00 H new ATOM 185 N GLN A 13 -10.136 9.576 6.271 1.00 0.00 N ATOM 186 CA GLN A 13 -10.163 8.810 5.030 1.00 0.00 C ATOM 187 C GLN A 13 -9.099 7.716 5.044 1.00 0.00 C ATOM 188 O GLN A 13 -9.284 6.649 4.458 1.00 0.00 O ATOM 189 CB GLN A 13 -9.946 9.734 3.830 1.00 0.00 C ATOM 190 CG GLN A 13 -11.205 10.460 3.387 1.00 0.00 C ATOM 191 CD GLN A 13 -11.556 11.625 4.292 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.843 11.915 5.253 1.00 0.00 O ATOM 193 NE2 GLN A 13 -12.660 12.298 3.991 1.00 0.00 N ATOM 0 H GLN A 13 -9.689 10.489 6.194 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.142 8.339 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.182 10.469 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.562 9.148 2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.071 10.824 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.037 9.757 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.221 12.023 3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.947 13.090 4.566 1.00 0.00 H new ATOM 202 N VAL A 14 -7.986 7.991 5.715 1.00 0.00 N ATOM 203 CA VAL A 14 -6.892 7.031 5.807 1.00 0.00 C ATOM 204 C VAL A 14 -7.323 5.781 6.568 1.00 0.00 C ATOM 205 O VAL A 14 -7.329 4.679 6.018 1.00 0.00 O ATOM 206 CB VAL A 14 -5.663 7.644 6.502 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.474 6.697 6.421 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.321 8.997 5.894 1.00 0.00 C ATOM 0 H VAL A 14 -7.817 8.871 6.203 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.623 6.758 4.787 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.904 7.797 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.615 7.148 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.724 5.756 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.230 6.508 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.450 9.413 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.101 8.874 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.167 9.674 6.013 1.00 0.00 H new ATOM 218 N ASP A 15 -7.682 5.961 7.834 1.00 0.00 N ATOM 219 CA ASP A 15 -8.114 4.847 8.671 1.00 0.00 C ATOM 220 C ASP A 15 -9.333 4.157 8.068 1.00 0.00 C ATOM 221 O ASP A 15 -9.469 2.935 8.145 1.00 0.00 O ATOM 222 CB ASP A 15 -8.439 5.339 10.083 1.00 0.00 C ATOM 223 CG ASP A 15 -8.427 4.217 11.103 1.00 0.00 C ATOM 224 OD1 ASP A 15 -9.283 3.313 11.002 1.00 0.00 O ATOM 225 OD2 ASP A 15 -7.561 4.243 12.004 1.00 0.00 O ATOM 0 H ASP A 15 -7.683 6.867 8.303 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.298 4.126 8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.715 6.100 10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.419 5.815 10.082 1.00 0.00 H new ATOM 230 N GLN A 16 -10.217 4.946 7.467 1.00 0.00 N ATOM 231 CA GLN A 16 -11.424 4.412 6.849 1.00 0.00 C ATOM 232 C GLN A 16 -11.088 3.655 5.568 1.00 0.00 C ATOM 233 O GLN A 16 -11.769 2.697 5.205 1.00 0.00 O ATOM 234 CB GLN A 16 -12.410 5.540 6.544 1.00 0.00 C ATOM 235 CG GLN A 16 -13.129 6.068 7.775 1.00 0.00 C ATOM 236 CD GLN A 16 -14.369 5.267 8.115 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.427 4.598 9.146 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.372 5.331 7.246 1.00 0.00 N ATOM 0 H GLN A 16 -10.120 5.959 7.395 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.885 3.718 7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.874 6.360 6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.149 5.182 5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.446 6.052 8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.407 7.109 7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.281 5.898 6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.233 4.813 7.422 1.00 0.00 H new ATOM 247 N ALA A 17 -10.033 4.091 4.888 1.00 0.00 N ATOM 248 CA ALA A 17 -9.606 3.455 3.649 1.00 0.00 C ATOM 249 C ALA A 17 -9.208 2.002 3.887 1.00 0.00 C ATOM 250 O ALA A 17 -9.556 1.117 3.106 1.00 0.00 O ATOM 251 CB ALA A 17 -8.448 4.226 3.031 1.00 0.00 C ATOM 0 H ALA A 17 -9.458 4.883 5.175 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.447 3.466 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.139 3.739 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.764 5.247 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.610 4.245 3.728 1.00 0.00 H new ATOM 257 N ILE A 18 -8.479 1.766 4.972 1.00 0.00 N ATOM 258 CA ILE A 18 -8.036 0.420 5.315 1.00 0.00 C ATOM 259 C ILE A 18 -9.205 -0.438 5.790 1.00 0.00 C ATOM 260 O ILE A 18 -9.431 -1.534 5.278 1.00 0.00 O ATOM 261 CB ILE A 18 -6.955 0.446 6.413 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.845 1.432 6.045 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.383 -0.947 6.629 1.00 0.00 C ATOM 264 CD1 ILE A 18 -4.751 1.529 7.084 1.00 0.00 C ATOM 0 H ILE A 18 -8.183 2.488 5.628 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.613 -0.014 4.409 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.415 0.777 7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.405 1.132 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.282 2.419 5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.621 -0.911 7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.181 -1.625 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.937 -1.305 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.999 2.246 6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.177 1.859 8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.287 0.552 7.216 1.00 0.00 H new ATOM 276 N LEU A 19 -9.943 0.071 6.770 1.00 0.00 N ATOM 277 CA LEU A 19 -11.090 -0.647 7.315 1.00 0.00 C ATOM 278 C LEU A 19 -12.219 -0.741 6.290 1.00 0.00 C ATOM 279 O LEU A 19 -13.099 -1.594 6.402 1.00 0.00 O ATOM 280 CB LEU A 19 -11.595 0.044 8.583 1.00 0.00 C ATOM 281 CG LEU A 19 -10.890 -0.377 9.874 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.207 -1.828 10.206 1.00 0.00 C ATOM 283 CD2 LEU A 19 -9.389 -0.172 9.751 1.00 0.00 C ATOM 0 H LEU A 19 -9.768 0.978 7.203 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.766 -1.658 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.483 1.121 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.661 -0.156 8.687 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.257 0.249 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.697 -2.110 11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.283 -1.945 10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.868 -2.470 9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.903 -0.476 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.006 -0.773 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.180 0.881 9.560 1.00 0.00 H new ATOM 295 N SER A 20 -12.190 0.140 5.293 1.00 0.00 N ATOM 296 CA SER A 20 -13.212 0.154 4.251 1.00 0.00 C ATOM 297 C SER A 20 -13.358 -1.221 3.605 1.00 0.00 C ATOM 298 O SER A 20 -14.350 -1.917 3.822 1.00 0.00 O ATOM 299 CB SER A 20 -12.870 1.197 3.186 1.00 0.00 C ATOM 300 OG SER A 20 -13.517 2.429 3.450 1.00 0.00 O ATOM 0 H SER A 20 -11.469 0.854 5.185 1.00 0.00 H new ATOM 0 HA SER A 20 -14.162 0.416 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.791 1.349 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.168 0.830 2.204 1.00 0.00 H new ATOM 0 HG SER A 20 -13.067 2.882 4.193 1.00 0.00 H new ATOM 306 N GLU A 21 -12.364 -1.606 2.811 1.00 0.00 N ATOM 307 CA GLU A 21 -12.385 -2.898 2.136 1.00 0.00 C ATOM 308 C GLU A 21 -11.916 -4.010 3.069 1.00 0.00 C ATOM 309 O GLU A 21 -10.732 -4.343 3.107 1.00 0.00 O ATOM 310 CB GLU A 21 -11.504 -2.864 0.886 1.00 0.00 C ATOM 311 CG GLU A 21 -12.184 -2.235 -0.321 1.00 0.00 C ATOM 312 CD GLU A 21 -13.526 -2.869 -0.631 1.00 0.00 C ATOM 313 OE1 GLU A 21 -13.719 -4.053 -0.283 1.00 0.00 O ATOM 314 OE2 GLU A 21 -14.385 -2.180 -1.222 1.00 0.00 O ATOM 0 H GLU A 21 -11.535 -1.043 2.620 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.414 -3.104 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.592 -2.309 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.205 -3.882 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.323 -1.169 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.533 -2.329 -1.190 1.00 0.00 H new ATOM 321 N GLU A 22 -12.854 -4.582 3.815 1.00 0.00 N ATOM 322 CA GLU A 22 -12.538 -5.661 4.742 1.00 0.00 C ATOM 323 C GLU A 22 -12.847 -7.017 4.118 1.00 0.00 C ATOM 324 O GLU A 22 -13.184 -7.973 4.818 1.00 0.00 O ATOM 325 CB GLU A 22 -13.327 -5.493 6.042 1.00 0.00 C ATOM 326 CG GLU A 22 -12.719 -4.477 6.995 1.00 0.00 C ATOM 327 CD GLU A 22 -13.754 -3.829 7.894 1.00 0.00 C ATOM 328 OE1 GLU A 22 -14.761 -3.313 7.365 1.00 0.00 O ATOM 329 OE2 GLU A 22 -13.557 -3.836 9.127 1.00 0.00 O ATOM 0 H GLU A 22 -13.839 -4.317 3.796 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.472 -5.616 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.346 -5.190 5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.392 -6.458 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.965 -4.967 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.208 -3.705 6.420 1.00 0.00 H new ATOM 336 N ASP A 23 -12.732 -7.094 2.795 1.00 0.00 N ATOM 337 CA ASP A 23 -13.001 -8.332 2.075 1.00 0.00 C ATOM 338 C ASP A 23 -11.705 -9.065 1.747 1.00 0.00 C ATOM 339 O ASP A 23 -11.654 -10.294 1.765 1.00 0.00 O ATOM 340 CB ASP A 23 -13.776 -8.041 0.788 1.00 0.00 C ATOM 341 CG ASP A 23 -15.277 -8.059 1.002 1.00 0.00 C ATOM 342 OD1 ASP A 23 -15.841 -6.999 1.342 1.00 0.00 O ATOM 343 OD2 ASP A 23 -15.888 -9.134 0.828 1.00 0.00 O ATOM 0 H ASP A 23 -12.454 -6.313 2.201 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.605 -8.972 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.478 -7.067 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.510 -8.780 0.032 1.00 0.00 H new ATOM 348 N ARG A 24 -10.659 -8.303 1.447 1.00 0.00 N ATOM 349 CA ARG A 24 -9.365 -8.887 1.116 1.00 0.00 C ATOM 350 C ARG A 24 -8.226 -8.131 1.805 1.00 0.00 C ATOM 351 O ARG A 24 -7.853 -8.462 2.931 1.00 0.00 O ATOM 352 CB ARG A 24 -9.169 -8.912 -0.404 1.00 0.00 C ATOM 353 CG ARG A 24 -7.821 -9.463 -0.838 1.00 0.00 C ATOM 354 CD ARG A 24 -7.950 -10.376 -2.046 1.00 0.00 C ATOM 355 NE ARG A 24 -7.701 -9.662 -3.296 1.00 0.00 N ATOM 356 CZ ARG A 24 -6.534 -9.106 -3.613 1.00 0.00 C ATOM 357 NH1 ARG A 24 -5.504 -9.181 -2.779 1.00 0.00 N ATOM 358 NH2 ARG A 24 -6.396 -8.473 -4.770 1.00 0.00 N ATOM 0 H ARG A 24 -10.682 -7.283 1.426 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.347 -9.913 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.959 -9.514 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.280 -7.900 -0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.150 -8.638 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.370 -10.013 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.246 -11.203 -1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.950 -10.810 -2.068 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.467 -9.585 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.604 -9.667 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.613 -8.752 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.183 -8.413 -5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.502 -8.046 -5.014 1.00 0.00 H new ATOM 372 N VAL A 25 -7.673 -7.121 1.136 1.00 0.00 N ATOM 373 CA VAL A 25 -6.579 -6.341 1.711 1.00 0.00 C ATOM 374 C VAL A 25 -6.636 -4.881 1.268 1.00 0.00 C ATOM 375 O VAL A 25 -7.491 -4.491 0.471 1.00 0.00 O ATOM 376 CB VAL A 25 -5.186 -6.916 1.349 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.414 -7.281 2.607 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.301 -8.123 0.427 1.00 0.00 C ATOM 0 H VAL A 25 -7.961 -6.825 0.203 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.712 -6.402 2.791 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.639 -6.140 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.439 -7.683 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.279 -6.391 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.970 -8.031 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.305 -8.499 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.878 -8.905 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.802 -7.830 -0.495 1.00 0.00 H new ATOM 388 N VAL A 26 -5.711 -4.084 1.793 1.00 0.00 N ATOM 389 CA VAL A 26 -5.628 -2.681 1.473 1.00 0.00 C ATOM 390 C VAL A 26 -4.188 -2.184 1.560 1.00 0.00 C ATOM 391 O VAL A 26 -3.586 -2.180 2.633 1.00 0.00 O ATOM 392 CB VAL A 26 -6.513 -1.835 2.406 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.665 -0.419 1.873 1.00 0.00 C ATOM 394 CG2 VAL A 26 -7.869 -2.495 2.598 1.00 0.00 C ATOM 0 H VAL A 26 -5.001 -4.402 2.452 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.988 -2.568 0.450 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.025 -1.773 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.295 0.159 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.684 0.050 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.126 -0.449 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.481 -1.883 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.366 -2.593 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.734 -3.483 3.039 1.00 0.00 H new ATOM 404 N VAL A 27 -3.641 -1.769 0.422 1.00 0.00 N ATOM 405 CA VAL A 27 -2.271 -1.273 0.369 1.00 0.00 C ATOM 406 C VAL A 27 -2.201 0.207 0.735 1.00 0.00 C ATOM 407 O VAL A 27 -3.100 0.983 0.408 1.00 0.00 O ATOM 408 CB VAL A 27 -1.657 -1.476 -1.031 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.207 -1.017 -1.056 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.770 -2.931 -1.456 1.00 0.00 C ATOM 0 H VAL A 27 -4.126 -1.766 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.699 -1.847 1.098 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.216 -0.867 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.206 -1.170 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.156 0.041 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.370 -1.593 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.332 -3.056 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.239 -3.561 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.820 -3.221 -1.485 1.00 0.00 H new ATOM 420 N ILE A 28 -1.124 0.590 1.415 1.00 0.00 N ATOM 421 CA ILE A 28 -0.930 1.974 1.827 1.00 0.00 C ATOM 422 C ILE A 28 0.508 2.423 1.584 1.00 0.00 C ATOM 423 O ILE A 28 1.443 1.901 2.191 1.00 0.00 O ATOM 424 CB ILE A 28 -1.271 2.168 3.317 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.630 1.545 3.637 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.260 3.646 3.675 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.783 2.207 2.915 1.00 0.00 C ATOM 0 H ILE A 28 -0.372 -0.041 1.692 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.605 2.582 1.224 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.513 1.665 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.607 0.487 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.803 1.603 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.503 3.766 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.271 4.060 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.999 4.172 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.715 1.714 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.833 3.259 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.633 2.126 1.838 1.00 0.00 H new ATOM 439 N ARG A 29 0.677 3.396 0.693 1.00 0.00 N ATOM 440 CA ARG A 29 2.000 3.916 0.370 1.00 0.00 C ATOM 441 C ARG A 29 2.397 5.027 1.339 1.00 0.00 C ATOM 442 O ARG A 29 1.566 5.844 1.736 1.00 0.00 O ATOM 443 CB ARG A 29 2.026 4.441 -1.069 1.00 0.00 C ATOM 444 CG ARG A 29 3.352 5.067 -1.474 1.00 0.00 C ATOM 445 CD ARG A 29 4.171 4.129 -2.347 1.00 0.00 C ATOM 446 NE ARG A 29 5.588 4.145 -1.986 1.00 0.00 N ATOM 447 CZ ARG A 29 6.535 3.512 -2.675 1.00 0.00 C ATOM 448 NH1 ARG A 29 6.223 2.810 -3.756 1.00 0.00 N ATOM 449 NH2 ARG A 29 7.799 3.580 -2.279 1.00 0.00 N ATOM 0 H ARG A 29 -0.086 3.840 0.182 1.00 0.00 H new ATOM 0 HA ARG A 29 2.719 3.102 0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.801 3.619 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.235 5.181 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.167 5.997 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.922 5.324 -0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.784 3.114 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.060 4.416 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 29 5.867 4.672 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.252 2.753 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.954 2.327 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.045 4.117 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.525 3.095 -2.806 1.00 0.00 H new ATOM 463 N PHE A 30 3.672 5.051 1.715 1.00 0.00 N ATOM 464 CA PHE A 30 4.181 6.061 2.635 1.00 0.00 C ATOM 465 C PHE A 30 5.258 6.909 1.967 1.00 0.00 C ATOM 466 O PHE A 30 6.078 6.399 1.202 1.00 0.00 O ATOM 467 CB PHE A 30 4.744 5.399 3.893 1.00 0.00 C ATOM 468 CG PHE A 30 3.692 5.030 4.899 1.00 0.00 C ATOM 469 CD1 PHE A 30 3.285 5.940 5.861 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.109 3.772 4.883 1.00 0.00 C ATOM 471 CE1 PHE A 30 2.316 5.603 6.789 1.00 0.00 C ATOM 472 CE2 PHE A 30 2.140 3.431 5.807 1.00 0.00 C ATOM 473 CZ PHE A 30 1.744 4.348 6.761 1.00 0.00 C ATOM 0 H PHE A 30 4.372 4.381 1.396 1.00 0.00 H new ATOM 0 HA PHE A 30 3.353 6.711 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.292 4.501 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.460 6.075 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.729 6.924 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.416 3.051 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.008 6.321 7.534 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.693 2.448 5.783 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.987 4.083 7.484 1.00 0.00 H new ATOM 483 N GLY A 31 5.251 8.206 2.258 1.00 0.00 N ATOM 484 CA GLY A 31 6.233 9.102 1.675 1.00 0.00 C ATOM 485 C GLY A 31 5.622 10.408 1.208 1.00 0.00 C ATOM 486 O GLY A 31 5.023 11.138 1.997 1.00 0.00 O ATOM 0 H GLY A 31 4.583 8.652 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.011 9.311 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.715 8.608 0.831 1.00 0.00 H new ATOM 490 N HIS A 32 5.775 10.704 -0.079 1.00 0.00 N ATOM 491 CA HIS A 32 5.234 11.932 -0.650 1.00 0.00 C ATOM 492 C HIS A 32 4.923 11.752 -2.133 1.00 0.00 C ATOM 493 O HIS A 32 5.682 11.115 -2.863 1.00 0.00 O ATOM 494 CB HIS A 32 6.221 13.085 -0.461 1.00 0.00 C ATOM 495 CG HIS A 32 5.580 14.438 -0.527 1.00 0.00 C ATOM 496 ND1 HIS A 32 4.497 14.796 0.247 1.00 0.00 N ATOM 497 CD2 HIS A 32 5.878 15.524 -1.279 1.00 0.00 C ATOM 498 CE1 HIS A 32 4.155 16.042 -0.027 1.00 0.00 C ATOM 499 NE2 HIS A 32 4.978 16.506 -0.949 1.00 0.00 N ATOM 0 H HIS A 32 6.269 10.111 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 32 4.306 12.167 -0.128 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.717 12.974 0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.994 13.020 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.675 15.603 -2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.341 16.588 0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.950 17.443 -1.351 1.00 0.00 H new ATOM 508 N ASP A 33 3.801 12.315 -2.570 1.00 0.00 N ATOM 509 CA ASP A 33 3.391 12.216 -3.966 1.00 0.00 C ATOM 510 C ASP A 33 4.434 12.839 -4.887 1.00 0.00 C ATOM 511 O ASP A 33 4.776 12.275 -5.926 1.00 0.00 O ATOM 512 CB ASP A 33 2.038 12.901 -4.171 1.00 0.00 C ATOM 513 CG ASP A 33 1.413 12.559 -5.510 1.00 0.00 C ATOM 514 OD1 ASP A 33 2.085 12.755 -6.545 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.253 12.096 -5.522 1.00 0.00 O ATOM 0 H ASP A 33 3.160 12.844 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 33 3.298 11.159 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.360 12.606 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.166 13.981 -4.098 1.00 0.00 H new ATOM 520 N TRP A 34 4.936 14.008 -4.500 1.00 0.00 N ATOM 521 CA TRP A 34 5.941 14.709 -5.291 1.00 0.00 C ATOM 522 C TRP A 34 7.192 13.853 -5.470 1.00 0.00 C ATOM 523 O TRP A 34 7.908 13.985 -6.461 1.00 0.00 O ATOM 524 CB TRP A 34 6.309 16.035 -4.624 1.00 0.00 C ATOM 525 CG TRP A 34 6.695 17.104 -5.601 1.00 0.00 C ATOM 526 CD1 TRP A 34 7.696 17.045 -6.527 1.00 0.00 C ATOM 527 CD2 TRP A 34 6.086 18.392 -5.748 1.00 0.00 C ATOM 528 NE1 TRP A 34 7.748 18.218 -7.242 1.00 0.00 N ATOM 529 CE2 TRP A 34 6.769 19.061 -6.783 1.00 0.00 C ATOM 530 CE3 TRP A 34 5.030 19.045 -5.107 1.00 0.00 C ATOM 531 CZ2 TRP A 34 6.429 20.348 -7.188 1.00 0.00 C ATOM 532 CZ3 TRP A 34 4.694 20.324 -5.511 1.00 0.00 C ATOM 533 CH2 TRP A 34 5.391 20.964 -6.543 1.00 0.00 C ATOM 0 H TRP A 34 4.663 14.489 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 34 5.517 14.908 -6.275 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.463 16.383 -4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.135 15.869 -3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.352 16.200 -6.676 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.407 18.427 -7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.486 18.559 -4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 6.966 20.844 -7.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 3.880 20.838 -5.022 1.00 0.00 H new ATOM 0 HH2 TRP A 34 5.104 21.963 -6.836 1.00 0.00 H new ATOM 544 N ASP A 35 7.448 12.976 -4.504 1.00 0.00 N ATOM 545 CA ASP A 35 8.613 12.099 -4.556 1.00 0.00 C ATOM 546 C ASP A 35 8.596 11.243 -5.823 1.00 0.00 C ATOM 547 O ASP A 35 7.531 10.860 -6.309 1.00 0.00 O ATOM 548 CB ASP A 35 8.657 11.203 -3.317 1.00 0.00 C ATOM 549 CG ASP A 35 9.988 11.282 -2.593 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.362 12.392 -2.158 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.654 10.234 -2.461 1.00 0.00 O ATOM 0 H ASP A 35 6.865 12.854 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 35 9.507 12.722 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.858 11.492 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.467 10.171 -3.611 1.00 0.00 H new ATOM 556 N PRO A 36 9.781 10.925 -6.372 1.00 0.00 N ATOM 557 CA PRO A 36 9.896 10.109 -7.585 1.00 0.00 C ATOM 558 C PRO A 36 9.390 8.687 -7.371 1.00 0.00 C ATOM 559 O PRO A 36 8.664 8.144 -8.204 1.00 0.00 O ATOM 560 CB PRO A 36 11.400 10.103 -7.879 1.00 0.00 C ATOM 561 CG PRO A 36 12.048 10.420 -6.576 1.00 0.00 C ATOM 562 CD PRO A 36 11.100 11.336 -5.856 1.00 0.00 C ATOM 0 HA PRO A 36 9.295 10.509 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.725 9.133 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.657 10.842 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.229 9.513 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.015 10.900 -6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.165 11.215 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.309 12.384 -6.073 1.00 0.00 H new ATOM 570 N THR A 37 9.777 8.088 -6.248 1.00 0.00 N ATOM 571 CA THR A 37 9.366 6.734 -5.922 1.00 0.00 C ATOM 572 C THR A 37 7.847 6.612 -5.942 1.00 0.00 C ATOM 573 O THR A 37 7.298 5.578 -6.326 1.00 0.00 O ATOM 574 CB THR A 37 9.904 6.332 -4.548 1.00 0.00 C ATOM 575 OG1 THR A 37 11.314 6.458 -4.506 1.00 0.00 O ATOM 576 CG2 THR A 37 9.558 4.910 -4.163 1.00 0.00 C ATOM 0 H THR A 37 10.377 8.525 -5.549 1.00 0.00 H new ATOM 0 HA THR A 37 9.778 6.062 -6.675 1.00 0.00 H new ATOM 0 HB THR A 37 9.426 7.009 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.610 6.514 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.969 4.689 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.475 4.793 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.981 4.222 -4.895 1.00 0.00 H new ATOM 584 N CYS A 38 7.176 7.681 -5.527 1.00 0.00 N ATOM 585 CA CYS A 38 5.719 7.705 -5.496 1.00 0.00 C ATOM 586 C CYS A 38 5.150 7.761 -6.910 1.00 0.00 C ATOM 587 O CYS A 38 4.084 7.211 -7.183 1.00 0.00 O ATOM 588 CB CYS A 38 5.225 8.904 -4.686 1.00 0.00 C ATOM 589 SG CYS A 38 3.739 8.573 -3.711 1.00 0.00 S ATOM 0 H CYS A 38 7.619 8.543 -5.207 1.00 0.00 H new ATOM 0 HA CYS A 38 5.373 6.788 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.021 9.230 -4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.023 9.731 -5.367 1.00 0.00 H new ATOM 0 HG CYS A 38 3.648 9.444 -2.750 1.00 0.00 H new ATOM 595 N MET A 39 5.873 8.426 -7.806 1.00 0.00 N ATOM 596 CA MET A 39 5.443 8.552 -9.193 1.00 0.00 C ATOM 597 C MET A 39 5.458 7.194 -9.889 1.00 0.00 C ATOM 598 O MET A 39 4.615 6.913 -10.741 1.00 0.00 O ATOM 599 CB MET A 39 6.346 9.533 -9.943 1.00 0.00 C ATOM 600 CG MET A 39 6.318 10.942 -9.374 1.00 0.00 C ATOM 601 SD MET A 39 7.668 11.965 -9.989 1.00 0.00 S ATOM 602 CE MET A 39 7.290 12.008 -11.739 1.00 0.00 C ATOM 0 H MET A 39 6.759 8.886 -7.596 1.00 0.00 H new ATOM 0 HA MET A 39 4.422 8.934 -9.199 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.370 9.161 -9.920 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.042 9.566 -10.989 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.367 11.412 -9.625 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.371 10.892 -8.286 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.951 12.717 -12.237 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.434 11.016 -12.167 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.254 12.317 -11.880 1.00 0.00 H new ATOM 612 N LYS A 40 6.421 6.357 -9.519 1.00 0.00 N ATOM 613 CA LYS A 40 6.546 5.028 -10.106 1.00 0.00 C ATOM 614 C LYS A 40 5.433 4.110 -9.611 1.00 0.00 C ATOM 615 O LYS A 40 4.950 3.248 -10.345 1.00 0.00 O ATOM 616 CB LYS A 40 7.910 4.424 -9.767 1.00 0.00 C ATOM 617 CG LYS A 40 9.082 5.293 -10.190 1.00 0.00 C ATOM 618 CD LYS A 40 9.627 4.870 -11.545 1.00 0.00 C ATOM 619 CE LYS A 40 10.067 6.070 -12.368 1.00 0.00 C ATOM 620 NZ LYS A 40 10.048 5.782 -13.828 1.00 0.00 N ATOM 0 H LYS A 40 7.126 6.575 -8.815 1.00 0.00 H new ATOM 0 HA LYS A 40 6.459 5.125 -11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.965 4.253 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.997 3.451 -10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.767 6.336 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.873 5.229 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.471 4.195 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.862 4.315 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.411 6.915 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.073 6.365 -12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.355 6.626 -14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.693 4.993 -14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.083 5.526 -14.119 1.00 0.00 H new ATOM 634 N MET A 41 5.030 4.303 -8.360 1.00 0.00 N ATOM 635 CA MET A 41 3.971 3.495 -7.766 1.00 0.00 C ATOM 636 C MET A 41 2.614 3.877 -8.346 1.00 0.00 C ATOM 637 O MET A 41 1.734 3.031 -8.508 1.00 0.00 O ATOM 638 CB MET A 41 3.957 3.670 -6.247 1.00 0.00 C ATOM 639 CG MET A 41 3.018 2.710 -5.532 1.00 0.00 C ATOM 640 SD MET A 41 1.804 3.557 -4.502 1.00 0.00 S ATOM 641 CE MET A 41 1.017 2.166 -3.693 1.00 0.00 C ATOM 0 H MET A 41 5.420 5.011 -7.738 1.00 0.00 H new ATOM 0 HA MET A 41 4.168 2.449 -8.000 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.968 3.529 -5.864 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.666 4.693 -6.010 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.498 2.100 -6.271 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.603 2.031 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.264 2.530 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.541 1.532 -4.441 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.766 1.589 -3.151 1.00 0.00 H new ATOM 651 N ASP A 42 2.453 5.159 -8.655 1.00 0.00 N ATOM 652 CA ASP A 42 1.205 5.662 -9.216 1.00 0.00 C ATOM 653 C ASP A 42 1.054 5.242 -10.677 1.00 0.00 C ATOM 654 O ASP A 42 -0.002 4.757 -11.087 1.00 0.00 O ATOM 655 CB ASP A 42 1.149 7.187 -9.105 1.00 0.00 C ATOM 656 CG ASP A 42 0.486 7.647 -7.821 1.00 0.00 C ATOM 657 OD1 ASP A 42 -0.391 6.918 -7.310 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.842 8.738 -7.327 1.00 0.00 O ATOM 0 H ASP A 42 3.173 5.870 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 42 0.382 5.232 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.161 7.590 -9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.604 7.591 -9.958 1.00 0.00 H new ATOM 663 N GLU A 43 2.116 5.430 -11.456 1.00 0.00 N ATOM 664 CA GLU A 43 2.098 5.068 -12.869 1.00 0.00 C ATOM 665 C GLU A 43 1.739 3.595 -13.042 1.00 0.00 C ATOM 666 O GLU A 43 1.060 3.217 -13.997 1.00 0.00 O ATOM 667 CB GLU A 43 3.457 5.360 -13.513 1.00 0.00 C ATOM 668 CG GLU A 43 4.565 4.420 -13.064 1.00 0.00 C ATOM 669 CD GLU A 43 5.831 4.578 -13.883 1.00 0.00 C ATOM 670 OE1 GLU A 43 6.289 5.727 -14.053 1.00 0.00 O ATOM 671 OE2 GLU A 43 6.364 3.552 -14.355 1.00 0.00 O ATOM 0 H GLU A 43 2.997 5.830 -11.133 1.00 0.00 H new ATOM 0 HA GLU A 43 1.338 5.670 -13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.356 5.296 -14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.746 6.385 -13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.791 4.606 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.215 3.390 -13.138 1.00 0.00 H new ATOM 678 N VAL A 44 2.196 2.773 -12.105 1.00 0.00 N ATOM 679 CA VAL A 44 1.920 1.343 -12.142 1.00 0.00 C ATOM 680 C VAL A 44 0.576 1.034 -11.492 1.00 0.00 C ATOM 681 O VAL A 44 -0.122 0.108 -11.899 1.00 0.00 O ATOM 682 CB VAL A 44 3.026 0.537 -11.430 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.086 0.891 -9.951 1.00 0.00 C ATOM 684 CG2 VAL A 44 2.804 -0.956 -11.621 1.00 0.00 C ATOM 0 H VAL A 44 2.760 3.073 -11.310 1.00 0.00 H new ATOM 0 HA VAL A 44 1.891 1.048 -13.191 1.00 0.00 H new ATOM 0 HB VAL A 44 3.984 0.800 -11.878 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.873 0.310 -9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.299 1.954 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.129 0.662 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.593 -1.509 -11.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.837 -1.236 -11.203 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.822 -1.193 -12.685 1.00 0.00 H new ATOM 694 N LEU A 45 0.223 1.823 -10.481 1.00 0.00 N ATOM 695 CA LEU A 45 -1.037 1.647 -9.763 1.00 0.00 C ATOM 696 C LEU A 45 -2.214 1.522 -10.729 1.00 0.00 C ATOM 697 O LEU A 45 -3.019 0.598 -10.624 1.00 0.00 O ATOM 698 CB LEU A 45 -1.269 2.823 -8.812 1.00 0.00 C ATOM 699 CG LEU A 45 -0.799 2.595 -7.375 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.455 3.919 -6.710 1.00 0.00 C ATOM 701 CD2 LEU A 45 -1.863 1.858 -6.579 1.00 0.00 C ATOM 0 H LEU A 45 0.795 2.595 -10.139 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.969 0.723 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.758 3.699 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.334 3.054 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 45 0.100 1.980 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.122 3.737 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.341 4.411 -7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.337 4.559 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.512 1.704 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.779 2.448 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.062 0.892 -7.044 1.00 0.00 H new ATOM 713 N TYR A 46 -2.310 2.462 -11.664 1.00 0.00 N ATOM 714 CA TYR A 46 -3.392 2.462 -12.643 1.00 0.00 C ATOM 715 C TYR A 46 -3.441 1.147 -13.419 1.00 0.00 C ATOM 716 O TYR A 46 -4.511 0.701 -13.833 1.00 0.00 O ATOM 717 CB TYR A 46 -3.225 3.631 -13.616 1.00 0.00 C ATOM 718 CG TYR A 46 -4.525 4.093 -14.236 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.535 4.637 -13.453 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.740 3.986 -15.604 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.724 5.061 -14.017 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.925 4.407 -16.175 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.914 4.943 -15.378 1.00 0.00 C ATOM 724 OH TYR A 46 -8.096 5.364 -15.943 1.00 0.00 O ATOM 0 H TYR A 46 -1.651 3.234 -11.765 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.331 2.573 -12.101 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.765 4.468 -13.090 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.538 3.337 -14.409 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.389 4.730 -12.387 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.968 3.567 -16.232 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.500 5.482 -13.395 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.076 4.317 -17.241 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.068 5.212 -16.911 1.00 0.00 H new ATOM 734 N SER A 47 -2.279 0.534 -13.616 1.00 0.00 N ATOM 735 CA SER A 47 -2.194 -0.726 -14.348 1.00 0.00 C ATOM 736 C SER A 47 -2.332 -1.927 -13.414 1.00 0.00 C ATOM 737 O SER A 47 -2.640 -3.033 -13.857 1.00 0.00 O ATOM 738 CB SER A 47 -0.869 -0.808 -15.107 1.00 0.00 C ATOM 739 OG SER A 47 -0.865 -1.901 -16.010 1.00 0.00 O ATOM 0 H SER A 47 -1.383 0.888 -13.280 1.00 0.00 H new ATOM 0 HA SER A 47 -3.021 -0.753 -15.058 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.701 0.120 -15.654 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.047 -0.914 -14.399 1.00 0.00 H new ATOM 0 HG SER A 47 -0.008 -1.931 -16.484 1.00 0.00 H new ATOM 745 N ILE A 48 -2.097 -1.707 -12.124 1.00 0.00 N ATOM 746 CA ILE A 48 -2.189 -2.778 -11.138 1.00 0.00 C ATOM 747 C ILE A 48 -3.219 -2.454 -10.060 1.00 0.00 C ATOM 748 O ILE A 48 -3.096 -2.899 -8.918 1.00 0.00 O ATOM 749 CB ILE A 48 -0.825 -3.042 -10.469 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.327 -1.780 -9.760 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.189 -3.514 -11.500 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.467 -1.835 -8.254 1.00 0.00 C ATOM 0 H ILE A 48 -1.842 -0.798 -11.738 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.504 -3.673 -11.674 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.948 -3.829 -9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.721 -1.621 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.880 -0.920 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.146 -3.696 -11.012 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.164 -4.436 -11.962 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.312 -2.749 -12.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.094 -0.907 -7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.517 -1.963 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.109 -2.675 -7.865 1.00 0.00 H new ATOM 764 N ALA A 49 -4.234 -1.677 -10.426 1.00 0.00 N ATOM 765 CA ALA A 49 -5.281 -1.296 -9.485 1.00 0.00 C ATOM 766 C ALA A 49 -6.592 -2.012 -9.799 1.00 0.00 C ATOM 767 O ALA A 49 -6.947 -2.992 -9.144 1.00 0.00 O ATOM 768 CB ALA A 49 -5.483 0.212 -9.502 1.00 0.00 C ATOM 0 H ALA A 49 -4.353 -1.300 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.964 -1.598 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.267 0.482 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.554 0.707 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.773 0.529 -10.504 1.00 0.00 H new ATOM 774 N GLU A 50 -7.309 -1.513 -10.802 1.00 0.00 N ATOM 775 CA GLU A 50 -8.582 -2.097 -11.204 1.00 0.00 C ATOM 776 C GLU A 50 -8.479 -3.614 -11.349 1.00 0.00 C ATOM 777 O GLU A 50 -9.461 -4.334 -11.169 1.00 0.00 O ATOM 778 CB GLU A 50 -9.054 -1.481 -12.522 1.00 0.00 C ATOM 779 CG GLU A 50 -10.486 -1.841 -12.885 1.00 0.00 C ATOM 780 CD GLU A 50 -10.728 -1.832 -14.382 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.786 -2.150 -15.137 1.00 0.00 O ATOM 782 OE2 GLU A 50 -11.859 -1.506 -14.798 1.00 0.00 O ATOM 0 H GLU A 50 -7.027 -0.702 -11.353 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.309 -1.879 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.966 -0.396 -12.458 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.392 -1.808 -13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.720 -2.829 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.166 -1.137 -12.406 1.00 0.00 H new ATOM 789 N LYS A 51 -7.283 -4.091 -11.678 1.00 0.00 N ATOM 790 CA LYS A 51 -7.050 -5.522 -11.851 1.00 0.00 C ATOM 791 C LYS A 51 -7.395 -6.294 -10.580 1.00 0.00 C ATOM 792 O LYS A 51 -7.740 -7.474 -10.637 1.00 0.00 O ATOM 793 CB LYS A 51 -5.592 -5.777 -12.237 1.00 0.00 C ATOM 794 CG LYS A 51 -5.319 -5.609 -13.723 1.00 0.00 C ATOM 795 CD LYS A 51 -4.021 -6.288 -14.130 1.00 0.00 C ATOM 796 CE LYS A 51 -4.176 -7.799 -14.186 1.00 0.00 C ATOM 797 NZ LYS A 51 -4.514 -8.272 -15.557 1.00 0.00 N ATOM 0 H LYS A 51 -6.460 -3.508 -11.830 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.700 -5.874 -12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.952 -5.094 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.317 -6.788 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.146 -6.029 -14.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.268 -4.548 -13.967 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.706 -5.917 -15.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.235 -6.028 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.250 -8.271 -13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.957 -8.110 -13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.611 -9.307 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.410 -7.841 -15.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.757 -7.998 -16.215 1.00 0.00 H new ATOM 811 N VAL A 52 -7.294 -5.627 -9.434 1.00 0.00 N ATOM 812 CA VAL A 52 -7.593 -6.263 -8.154 1.00 0.00 C ATOM 813 C VAL A 52 -8.523 -5.406 -7.299 1.00 0.00 C ATOM 814 O VAL A 52 -8.721 -5.687 -6.117 1.00 0.00 O ATOM 815 CB VAL A 52 -6.307 -6.549 -7.356 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.598 -7.777 -7.906 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.386 -5.339 -7.372 1.00 0.00 C ATOM 0 H VAL A 52 -7.009 -4.650 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.092 -7.203 -8.388 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.582 -6.751 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.692 -7.963 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.258 -8.641 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.335 -7.608 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.483 -5.561 -6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.117 -5.100 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.897 -4.487 -6.924 1.00 0.00 H new ATOM 827 N LYS A 53 -9.094 -4.360 -7.894 1.00 0.00 N ATOM 828 CA LYS A 53 -9.998 -3.472 -7.180 1.00 0.00 C ATOM 829 C LYS A 53 -11.093 -4.260 -6.467 1.00 0.00 C ATOM 830 O LYS A 53 -11.183 -5.480 -6.605 1.00 0.00 O ATOM 831 CB LYS A 53 -10.625 -2.463 -8.144 1.00 0.00 C ATOM 832 CG LYS A 53 -11.336 -3.109 -9.322 1.00 0.00 C ATOM 833 CD LYS A 53 -12.829 -3.236 -9.069 1.00 0.00 C ATOM 834 CE LYS A 53 -13.632 -2.977 -10.333 1.00 0.00 C ATOM 835 NZ LYS A 53 -13.974 -4.241 -11.043 1.00 0.00 N ATOM 0 H LYS A 53 -8.943 -4.110 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.417 -2.936 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.335 -1.843 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.846 -1.799 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.167 -2.515 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.912 -4.096 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.052 -4.235 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.129 -2.530 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.548 -2.445 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.062 -2.329 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.522 -4.021 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.100 -4.737 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.540 -4.849 -10.417 1.00 0.00 H new ATOM 849 N ASN A 54 -11.928 -3.555 -5.708 1.00 0.00 N ATOM 850 CA ASN A 54 -13.024 -4.185 -4.974 1.00 0.00 C ATOM 851 C ASN A 54 -12.511 -4.938 -3.747 1.00 0.00 C ATOM 852 O ASN A 54 -12.920 -4.656 -2.621 1.00 0.00 O ATOM 853 CB ASN A 54 -13.803 -5.141 -5.882 1.00 0.00 C ATOM 854 CG ASN A 54 -15.213 -5.393 -5.384 1.00 0.00 C ATOM 855 OD1 ASN A 54 -15.584 -6.526 -5.082 1.00 0.00 O ATOM 856 ND2 ASN A 54 -16.007 -4.332 -5.296 1.00 0.00 N ATOM 0 H ASN A 54 -11.867 -2.544 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.691 -3.392 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.845 -4.727 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.270 -6.089 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.967 -4.439 -4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.657 -3.410 -5.557 1.00 0.00 H new ATOM 863 N PHE A 55 -11.615 -5.895 -3.970 1.00 0.00 N ATOM 864 CA PHE A 55 -11.054 -6.683 -2.879 1.00 0.00 C ATOM 865 C PHE A 55 -9.824 -6.002 -2.300 1.00 0.00 C ATOM 866 O PHE A 55 -9.725 -5.789 -1.090 1.00 0.00 O ATOM 867 CB PHE A 55 -10.695 -8.086 -3.372 1.00 0.00 C ATOM 868 CG PHE A 55 -11.868 -9.024 -3.421 1.00 0.00 C ATOM 869 CD1 PHE A 55 -13.024 -8.671 -4.099 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.815 -10.256 -2.790 1.00 0.00 C ATOM 871 CE1 PHE A 55 -14.105 -9.531 -4.147 1.00 0.00 C ATOM 872 CE2 PHE A 55 -12.892 -11.120 -2.833 1.00 0.00 C ATOM 873 CZ PHE A 55 -14.039 -10.757 -3.513 1.00 0.00 C ATOM 0 H PHE A 55 -11.263 -6.143 -4.895 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.805 -6.764 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.258 -8.012 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.931 -8.507 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -13.081 -7.713 -4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.921 -10.545 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -15.000 -9.245 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.838 -12.077 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.883 -11.431 -3.549 1.00 0.00 H new ATOM 883 N ALA A 56 -8.893 -5.658 -3.174 1.00 0.00 N ATOM 884 CA ALA A 56 -7.664 -4.993 -2.763 1.00 0.00 C ATOM 885 C ALA A 56 -7.660 -3.537 -3.213 1.00 0.00 C ATOM 886 O ALA A 56 -7.819 -3.245 -4.398 1.00 0.00 O ATOM 887 CB ALA A 56 -6.454 -5.727 -3.321 1.00 0.00 C ATOM 0 H ALA A 56 -8.964 -5.828 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.611 -5.012 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.543 -5.219 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.446 -6.751 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.505 -5.738 -4.410 1.00 0.00 H new ATOM 893 N VAL A 57 -7.480 -2.625 -2.262 1.00 0.00 N ATOM 894 CA VAL A 57 -7.461 -1.200 -2.575 1.00 0.00 C ATOM 895 C VAL A 57 -6.170 -0.548 -2.094 1.00 0.00 C ATOM 896 O VAL A 57 -5.726 -0.784 -0.971 1.00 0.00 O ATOM 897 CB VAL A 57 -8.661 -0.464 -1.947 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.888 -0.588 -2.839 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.952 -0.997 -0.552 1.00 0.00 C ATOM 0 H VAL A 57 -7.346 -2.845 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.525 -1.117 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.407 0.592 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.726 -0.063 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.675 -0.150 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.143 -1.640 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.803 -0.463 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.184 -2.061 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.079 -0.850 0.083 1.00 0.00 H new ATOM 909 N ILE A 58 -5.571 0.269 -2.952 1.00 0.00 N ATOM 910 CA ILE A 58 -4.329 0.955 -2.616 1.00 0.00 C ATOM 911 C ILE A 58 -4.567 2.447 -2.412 1.00 0.00 C ATOM 912 O ILE A 58 -5.585 2.987 -2.844 1.00 0.00 O ATOM 913 CB ILE A 58 -3.263 0.763 -3.715 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.285 -0.675 -4.239 1.00 0.00 C ATOM 915 CG2 ILE A 58 -1.883 1.119 -3.182 1.00 0.00 C ATOM 916 CD1 ILE A 58 -2.271 -0.938 -5.332 1.00 0.00 C ATOM 0 H ILE A 58 -5.925 0.473 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.965 0.515 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.495 1.432 -4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.098 -1.358 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.282 -0.899 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.142 0.979 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.875 2.160 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.642 0.474 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.344 -1.977 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.470 -0.281 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.268 -0.746 -4.951 1.00 0.00 H new ATOM 928 N TYR A 59 -3.617 3.110 -1.759 1.00 0.00 N ATOM 929 CA TYR A 59 -3.713 4.530 -1.505 1.00 0.00 C ATOM 930 C TYR A 59 -2.336 5.132 -1.249 1.00 0.00 C ATOM 931 O TYR A 59 -1.346 4.412 -1.116 1.00 0.00 O ATOM 932 CB TYR A 59 -4.636 4.814 -0.318 1.00 0.00 C ATOM 933 CG TYR A 59 -6.007 4.187 -0.444 1.00 0.00 C ATOM 934 CD1 TYR A 59 -6.248 2.898 0.014 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.061 4.887 -1.018 1.00 0.00 C ATOM 936 CE1 TYR A 59 -7.500 2.324 -0.099 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.315 4.319 -1.134 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.529 3.038 -0.673 1.00 0.00 C ATOM 939 OH TYR A 59 -9.777 2.469 -0.786 1.00 0.00 O ATOM 0 H TYR A 59 -2.768 2.675 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.138 4.995 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.163 4.449 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.749 5.893 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.444 2.335 0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.897 5.891 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.671 1.320 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.124 4.876 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.389 3.105 -1.212 1.00 0.00 H new ATOM 949 N LEU A 60 -2.282 6.458 -1.183 1.00 0.00 N ATOM 950 CA LEU A 60 -1.027 7.162 -0.945 1.00 0.00 C ATOM 951 C LEU A 60 -1.113 8.018 0.314 1.00 0.00 C ATOM 952 O LEU A 60 -2.056 8.790 0.489 1.00 0.00 O ATOM 953 CB LEU A 60 -0.673 8.035 -2.149 1.00 0.00 C ATOM 954 CG LEU A 60 -0.023 7.294 -3.318 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.861 6.090 -3.721 1.00 0.00 C ATOM 956 CD2 LEU A 60 0.169 8.230 -4.502 1.00 0.00 C ATOM 0 H LEU A 60 -3.093 7.067 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.243 6.419 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.581 8.520 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.002 8.825 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 60 0.956 6.939 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.382 5.576 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.948 5.408 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.854 6.423 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.633 7.686 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.799 8.615 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.811 9.061 -4.209 1.00 0.00 H new ATOM 968 N VAL A 61 -0.123 7.875 1.188 1.00 0.00 N ATOM 969 CA VAL A 61 -0.085 8.634 2.433 1.00 0.00 C ATOM 970 C VAL A 61 1.142 9.538 2.487 1.00 0.00 C ATOM 971 O VAL A 61 2.265 9.090 2.255 1.00 0.00 O ATOM 972 CB VAL A 61 -0.075 7.701 3.658 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.264 8.499 4.939 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.149 6.632 3.524 1.00 0.00 C ATOM 0 H VAL A 61 0.665 7.240 1.057 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.986 9.246 2.459 1.00 0.00 H new ATOM 0 HB VAL A 61 0.895 7.205 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.254 7.823 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.545 9.223 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.218 9.024 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.127 5.982 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.127 7.107 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.963 6.040 2.628 1.00 0.00 H new ATOM 984 N ASP A 62 0.920 10.811 2.793 1.00 0.00 N ATOM 985 CA ASP A 62 2.008 11.778 2.878 1.00 0.00 C ATOM 986 C ASP A 62 2.524 11.896 4.308 1.00 0.00 C ATOM 987 O ASP A 62 1.819 12.378 5.196 1.00 0.00 O ATOM 988 CB ASP A 62 1.542 13.146 2.378 1.00 0.00 C ATOM 989 CG ASP A 62 1.427 13.201 0.867 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.106 12.400 0.191 1.00 0.00 O ATOM 991 OD2 ASP A 62 0.658 14.045 0.360 1.00 0.00 O ATOM 0 H ASP A 62 -0.004 11.198 2.986 1.00 0.00 H new ATOM 0 HA ASP A 62 2.823 11.425 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.575 13.382 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.242 13.911 2.714 1.00 0.00 H new ATOM 996 N ILE A 63 3.758 11.452 4.525 1.00 0.00 N ATOM 997 CA ILE A 63 4.370 11.509 5.846 1.00 0.00 C ATOM 998 C ILE A 63 4.984 12.882 6.105 1.00 0.00 C ATOM 999 O ILE A 63 6.178 13.004 6.380 1.00 0.00 O ATOM 1000 CB ILE A 63 5.450 10.417 6.015 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.953 10.376 7.462 1.00 0.00 C ATOM 1002 CG2 ILE A 63 6.604 10.648 5.048 1.00 0.00 C ATOM 1003 CD1 ILE A 63 4.848 10.221 8.484 1.00 0.00 C ATOM 0 H ILE A 63 4.353 11.049 3.802 1.00 0.00 H new ATOM 0 HA ILE A 63 3.579 11.330 6.575 1.00 0.00 H new ATOM 0 HB ILE A 63 5.001 9.451 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.655 9.549 7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.505 11.292 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.354 9.868 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.232 10.620 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.054 11.621 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.279 10.200 9.485 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.158 11.061 8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.311 9.291 8.300 1.00 0.00 H new ATOM 1015 N THR A 64 4.155 13.915 6.010 1.00 0.00 N ATOM 1016 CA THR A 64 4.604 15.285 6.231 1.00 0.00 C ATOM 1017 C THR A 64 3.410 16.212 6.434 1.00 0.00 C ATOM 1018 O THR A 64 3.397 17.035 7.348 1.00 0.00 O ATOM 1019 CB THR A 64 5.445 15.767 5.047 1.00 0.00 C ATOM 1020 OG1 THR A 64 6.331 14.750 4.614 1.00 0.00 O ATOM 1021 CG2 THR A 64 6.272 16.994 5.363 1.00 0.00 C ATOM 0 H THR A 64 3.165 13.829 5.781 1.00 0.00 H new ATOM 0 HA THR A 64 5.219 15.304 7.131 1.00 0.00 H new ATOM 0 HB THR A 64 4.728 16.023 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.690 14.276 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.844 17.284 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.613 17.812 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.955 16.771 6.182 1.00 0.00 H new ATOM 1029 N GLU A 65 2.407 16.068 5.574 1.00 0.00 N ATOM 1030 CA GLU A 65 1.204 16.885 5.657 1.00 0.00 C ATOM 1031 C GLU A 65 0.160 16.220 6.547 1.00 0.00 C ATOM 1032 O GLU A 65 -0.631 16.896 7.206 1.00 0.00 O ATOM 1033 CB GLU A 65 0.625 17.121 4.260 1.00 0.00 C ATOM 1034 CG GLU A 65 -0.308 18.318 4.183 1.00 0.00 C ATOM 1035 CD GLU A 65 0.363 19.609 4.610 1.00 0.00 C ATOM 1036 OE1 GLU A 65 0.403 19.883 5.828 1.00 0.00 O ATOM 1037 OE2 GLU A 65 0.851 20.345 3.727 1.00 0.00 O ATOM 0 H GLU A 65 2.405 15.392 4.811 1.00 0.00 H new ATOM 0 HA GLU A 65 1.474 17.845 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.444 17.264 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.085 16.229 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.674 18.424 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.177 18.138 4.816 1.00 0.00 H new ATOM 1044 N VAL A 66 0.162 14.890 6.563 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.783 14.133 7.372 1.00 0.00 C ATOM 1046 C VAL A 66 -0.267 13.959 8.800 1.00 0.00 C ATOM 1047 O VAL A 66 0.907 13.653 9.009 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.054 12.743 6.765 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -2.175 12.040 7.514 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.386 12.864 5.285 1.00 0.00 C ATOM 0 H VAL A 66 0.809 14.315 6.023 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.713 14.702 7.389 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.151 12.141 6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.351 11.060 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.894 11.919 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.085 12.636 7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.575 11.873 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.274 13.484 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.548 13.322 4.760 1.00 0.00 H new ATOM 1060 N PRO A 67 -1.138 14.153 9.808 1.00 0.00 N ATOM 1061 CA PRO A 67 -0.755 14.015 11.217 1.00 0.00 C ATOM 1062 C PRO A 67 -0.453 12.569 11.595 1.00 0.00 C ATOM 1063 O PRO A 67 -1.364 11.778 11.840 1.00 0.00 O ATOM 1064 CB PRO A 67 -1.985 14.521 11.975 1.00 0.00 C ATOM 1065 CG PRO A 67 -3.120 14.315 11.034 1.00 0.00 C ATOM 1066 CD PRO A 67 -2.559 14.522 9.655 1.00 0.00 C ATOM 0 HA PRO A 67 0.157 14.566 11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.134 13.968 12.902 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.880 15.572 12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.537 13.313 11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.927 15.019 11.236 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.061 13.894 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.673 15.555 9.325 1.00 0.00 H new ATOM 1235 N ASP A 77 11.116 8.302 6.443 1.00 0.00 N ATOM 1236 CA ASP A 77 11.701 7.635 5.286 1.00 0.00 C ATOM 1237 C ASP A 77 11.277 8.322 3.989 1.00 0.00 C ATOM 1238 O ASP A 77 10.231 8.968 3.935 1.00 0.00 O ATOM 1239 CB ASP A 77 11.285 6.163 5.255 1.00 0.00 C ATOM 1240 CG ASP A 77 9.780 5.988 5.205 1.00 0.00 C ATOM 1241 OD1 ASP A 77 9.154 6.501 4.254 1.00 0.00 O ATOM 1242 OD2 ASP A 77 9.228 5.338 6.118 1.00 0.00 O ATOM 0 HA ASP A 77 12.786 7.698 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.733 5.680 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.677 5.659 6.138 1.00 0.00 H new ATOM 1247 N PRO A 78 12.086 8.190 2.924 1.00 0.00 N ATOM 1248 CA PRO A 78 11.788 8.801 1.624 1.00 0.00 C ATOM 1249 C PRO A 78 10.509 8.247 1.007 1.00 0.00 C ATOM 1250 O PRO A 78 9.691 8.995 0.472 1.00 0.00 O ATOM 1251 CB PRO A 78 13.001 8.436 0.761 1.00 0.00 C ATOM 1252 CG PRO A 78 13.612 7.255 1.434 1.00 0.00 C ATOM 1253 CD PRO A 78 13.351 7.436 2.902 1.00 0.00 C ATOM 0 HA PRO A 78 11.624 9.875 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.702 8.198 -0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.706 9.265 0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.171 6.327 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.682 7.200 1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.259 6.479 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.156 7.985 3.390 1.00 0.00 H new ATOM 1261 N CYS A 79 10.342 6.931 1.087 1.00 0.00 N ATOM 1262 CA CYS A 79 9.161 6.275 0.537 1.00 0.00 C ATOM 1263 C CYS A 79 9.198 4.774 0.809 1.00 0.00 C ATOM 1264 O CYS A 79 10.269 4.184 0.953 1.00 0.00 O ATOM 1265 CB CYS A 79 9.063 6.530 -0.968 1.00 0.00 C ATOM 1266 SG CYS A 79 7.379 6.823 -1.558 1.00 0.00 S ATOM 0 H CYS A 79 11.009 6.298 1.527 1.00 0.00 H new ATOM 0 HA CYS A 79 8.282 6.694 1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.680 7.392 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.479 5.674 -1.499 1.00 0.00 H new ATOM 0 HG CYS A 79 6.546 6.707 -0.567 1.00 0.00 H new ATOM 1272 N THR A 80 8.020 4.163 0.878 1.00 0.00 N ATOM 1273 CA THR A 80 7.914 2.730 1.132 1.00 0.00 C ATOM 1274 C THR A 80 6.458 2.279 1.100 1.00 0.00 C ATOM 1275 O THR A 80 5.556 3.039 1.453 1.00 0.00 O ATOM 1276 CB THR A 80 8.537 2.383 2.485 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.522 0.983 2.699 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.830 3.034 3.654 1.00 0.00 C ATOM 0 H THR A 80 7.125 4.638 0.762 1.00 0.00 H new ATOM 0 HA THR A 80 8.456 2.206 0.345 1.00 0.00 H new ATOM 0 HB THR A 80 9.557 2.765 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.357 0.592 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.322 2.746 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.867 4.118 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.790 2.707 3.678 1.00 0.00 H new ATOM 1286 N VAL A 81 6.235 1.039 0.676 1.00 0.00 N ATOM 1287 CA VAL A 81 4.886 0.490 0.599 1.00 0.00 C ATOM 1288 C VAL A 81 4.674 -0.598 1.646 1.00 0.00 C ATOM 1289 O VAL A 81 5.611 -1.303 2.021 1.00 0.00 O ATOM 1290 CB VAL A 81 4.594 -0.092 -0.796 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.118 -0.435 -0.934 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.029 0.880 -1.882 1.00 0.00 C ATOM 0 H VAL A 81 6.970 0.396 0.381 1.00 0.00 H new ATOM 0 HA VAL A 81 4.199 1.314 0.791 1.00 0.00 H new ATOM 0 HB VAL A 81 5.168 -1.011 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.931 -0.845 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.844 -1.172 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.521 0.466 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.815 0.451 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.485 1.818 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.099 1.068 -1.795 1.00 0.00 H new ATOM 1302 N MET A 82 3.437 -0.731 2.114 1.00 0.00 N ATOM 1303 CA MET A 82 3.104 -1.735 3.118 1.00 0.00 C ATOM 1304 C MET A 82 1.618 -2.077 3.075 1.00 0.00 C ATOM 1305 O MET A 82 0.765 -1.190 3.089 1.00 0.00 O ATOM 1306 CB MET A 82 3.484 -1.236 4.513 1.00 0.00 C ATOM 1307 CG MET A 82 4.952 -1.435 4.851 1.00 0.00 C ATOM 1308 SD MET A 82 5.282 -1.294 6.619 1.00 0.00 S ATOM 1309 CE MET A 82 6.284 0.189 6.659 1.00 0.00 C ATOM 0 H MET A 82 2.649 -0.157 1.814 1.00 0.00 H new ATOM 0 HA MET A 82 3.672 -2.638 2.895 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.243 -0.176 4.589 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.876 -1.755 5.254 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.271 -2.417 4.503 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.548 -0.697 4.314 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.568 0.408 7.688 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.181 0.038 6.059 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.713 1.025 6.254 1.00 0.00 H new ATOM 1319 N PHE A 83 1.315 -3.371 3.024 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.067 -3.831 2.982 1.00 0.00 C ATOM 1321 C PHE A 83 -0.709 -3.747 4.363 1.00 0.00 C ATOM 1322 O PHE A 83 -0.036 -3.908 5.381 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.132 -5.269 2.461 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.187 -5.362 0.964 1.00 0.00 C ATOM 1325 CD1 PHE A 83 0.856 -4.884 0.188 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -1.284 -5.925 0.331 1.00 0.00 C ATOM 1327 CE1 PHE A 83 0.808 -4.966 -1.191 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -1.338 -6.012 -1.047 1.00 0.00 C ATOM 1329 CZ PHE A 83 -0.290 -5.531 -1.809 1.00 0.00 C ATOM 0 H PHE A 83 2.009 -4.119 3.011 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.621 -3.182 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.740 -5.816 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.011 -5.759 2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.717 -4.442 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.106 -6.300 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.628 -4.589 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.198 -6.455 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.330 -5.597 -2.886 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.013 -3.492 4.392 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.742 -3.385 5.651 1.00 0.00 C ATOM 1341 C PHE A 84 -4.088 -4.098 5.566 1.00 0.00 C ATOM 1342 O PHE A 84 -4.841 -3.913 4.611 1.00 0.00 O ATOM 1343 CB PHE A 84 -2.954 -1.914 6.017 1.00 0.00 C ATOM 1344 CG PHE A 84 -1.756 -1.278 6.662 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -0.606 -1.034 5.929 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -1.781 -0.922 8.000 1.00 0.00 C ATOM 1347 CE1 PHE A 84 0.497 -0.448 6.520 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -0.681 -0.336 8.597 1.00 0.00 C ATOM 1349 CZ PHE A 84 0.460 -0.098 7.855 1.00 0.00 C ATOM 0 H PHE A 84 -2.586 -3.356 3.559 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.147 -3.865 6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.210 -1.357 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.805 -1.835 6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.571 -1.305 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.671 -1.105 8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.388 -0.264 5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.713 -0.065 9.642 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.321 0.361 8.318 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.383 -4.914 6.574 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.638 -5.654 6.616 1.00 0.00 C ATOM 1361 C PHE A 85 -6.127 -5.812 8.052 1.00 0.00 C ATOM 1362 O PHE A 85 -5.328 -5.914 8.983 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.463 -7.029 5.972 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.741 -7.813 5.875 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.904 -7.213 5.420 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.779 -9.150 6.238 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -9.081 -7.932 5.328 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -7.952 -9.873 6.149 1.00 0.00 C ATOM 1369 CZ PHE A 85 -9.105 -9.264 5.693 1.00 0.00 C ATOM 0 H PHE A 85 -3.769 -5.079 7.372 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.384 -5.090 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.047 -6.903 4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.738 -7.602 6.549 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.891 -6.172 5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.881 -9.632 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.981 -7.453 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.968 -10.914 6.436 1.00 0.00 H new ATOM 0 HZ PHE A 85 -10.023 -9.828 5.622 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.445 -5.833 8.223 1.00 0.00 N ATOM 1380 CA ARG A 86 -8.044 -5.979 9.546 1.00 0.00 C ATOM 1381 C ARG A 86 -7.490 -4.941 10.517 1.00 0.00 C ATOM 1382 O ARG A 86 -7.395 -5.188 11.719 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.791 -7.388 10.089 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.945 -7.938 10.913 1.00 0.00 C ATOM 1385 CD ARG A 86 -9.019 -9.453 10.823 1.00 0.00 C ATOM 1386 NE ARG A 86 -10.333 -9.961 11.211 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.722 -11.221 11.035 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -9.902 -12.106 10.479 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.935 -11.600 11.417 1.00 0.00 N ATOM 0 H ARG A 86 -8.119 -5.751 7.462 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.118 -5.819 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.598 -8.061 9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.890 -7.376 10.703 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.825 -7.639 11.954 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.882 -7.505 10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.796 -9.767 9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.256 -9.892 11.466 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.991 -9.311 11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.968 -11.821 10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.206 -13.071 10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.569 -10.925 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.234 -12.566 11.282 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.123 -3.779 9.986 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.576 -2.702 10.804 1.00 0.00 C ATOM 1405 C ASN A 87 -5.271 -3.133 11.466 1.00 0.00 C ATOM 1406 O ASN A 87 -4.946 -2.689 12.567 1.00 0.00 O ATOM 1407 CB ASN A 87 -7.587 -2.278 11.870 1.00 0.00 C ATOM 1408 CG ASN A 87 -7.280 -0.909 12.447 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -6.305 -0.265 12.060 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.112 -0.459 13.378 1.00 0.00 N ATOM 0 H ASN A 87 -7.194 -3.559 8.993 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.370 -1.853 10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.587 -2.270 11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.594 -3.015 12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.956 0.455 13.803 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.908 -1.027 13.668 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.527 -3.999 10.787 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.256 -4.490 11.308 1.00 0.00 C ATOM 1419 C LYS A 88 -2.089 -3.953 10.486 1.00 0.00 C ATOM 1420 O LYS A 88 -2.256 -3.050 9.668 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.239 -6.020 11.306 1.00 0.00 C ATOM 1422 CG LYS A 88 -2.566 -6.622 12.530 1.00 0.00 C ATOM 1423 CD LYS A 88 -1.802 -7.888 12.180 1.00 0.00 C ATOM 1424 CE LYS A 88 -1.516 -8.727 13.416 1.00 0.00 C ATOM 1425 NZ LYS A 88 -2.678 -9.579 13.789 1.00 0.00 N ATOM 0 H LYS A 88 -4.782 -4.376 9.874 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.148 -4.135 12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.264 -6.387 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.725 -6.368 10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.883 -5.893 12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.318 -6.847 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.378 -8.476 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.863 -7.625 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.647 -9.359 13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.264 -8.071 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.443 -10.135 14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.501 -8.975 13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.903 -10.223 13.004 1.00 0.00 H new ATOM 1439 N HIS A 89 -0.904 -4.516 10.710 1.00 0.00 N ATOM 1440 CA HIS A 89 0.291 -4.093 9.989 1.00 0.00 C ATOM 1441 C HIS A 89 0.923 -5.266 9.247 1.00 0.00 C ATOM 1442 O HIS A 89 1.270 -6.282 9.850 1.00 0.00 O ATOM 1443 CB HIS A 89 1.305 -3.481 10.958 1.00 0.00 C ATOM 1444 CG HIS A 89 0.707 -2.480 11.897 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -0.393 -1.713 11.579 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.061 -2.125 13.155 1.00 0.00 C ATOM 1447 CE1 HIS A 89 -0.689 -0.927 12.599 1.00 0.00 C ATOM 1448 NE2 HIS A 89 0.177 -1.157 13.567 1.00 0.00 N ATOM 0 H HIS A 89 -0.747 -5.265 11.384 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.003 -3.341 9.257 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.769 -4.279 11.538 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.098 -3.001 10.385 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.900 -1.747 10.694 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.884 -2.527 13.727 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.502 -0.217 12.634 1.00 0.00 H new ATOM 1457 N ILE A 90 1.072 -5.117 7.934 1.00 0.00 N ATOM 1458 CA ILE A 90 1.665 -6.162 7.109 1.00 0.00 C ATOM 1459 C ILE A 90 2.788 -5.606 6.241 1.00 0.00 C ATOM 1460 O ILE A 90 2.545 -4.830 5.316 1.00 0.00 O ATOM 1461 CB ILE A 90 0.612 -6.826 6.200 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.630 -7.203 7.012 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.198 -8.054 5.519 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.356 -8.219 8.099 1.00 0.00 C ATOM 0 H ILE A 90 0.790 -4.283 7.420 1.00 0.00 H new ATOM 0 HA ILE A 90 2.071 -6.910 7.790 1.00 0.00 H new ATOM 0 HB ILE A 90 0.318 -6.113 5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.046 -6.302 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.388 -7.600 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.442 -8.512 4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.055 -7.760 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.517 -8.772 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.280 -8.439 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.031 -9.135 7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.379 -7.817 8.796 1.00 0.00 H new ATOM 1476 N MET A 91 4.018 -6.006 6.547 1.00 0.00 N ATOM 1477 CA MET A 91 5.180 -5.546 5.796 1.00 0.00 C ATOM 1478 C MET A 91 5.203 -6.156 4.398 1.00 0.00 C ATOM 1479 O MET A 91 5.721 -7.256 4.198 1.00 0.00 O ATOM 1480 CB MET A 91 6.468 -5.901 6.541 1.00 0.00 C ATOM 1481 CG MET A 91 6.523 -7.347 7.007 1.00 0.00 C ATOM 1482 SD MET A 91 8.205 -7.994 7.070 1.00 0.00 S ATOM 1483 CE MET A 91 9.034 -6.692 7.977 1.00 0.00 C ATOM 0 H MET A 91 4.236 -6.647 7.310 1.00 0.00 H new ATOM 0 HA MET A 91 5.111 -4.463 5.698 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.320 -5.705 5.890 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.570 -5.245 7.406 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.071 -7.423 7.996 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.926 -7.964 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.993 -7.058 8.344 1.00 0.00 H new ATOM 0 HE2 MET A 91 9.199 -5.838 7.319 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.416 -6.386 8.821 1.00 0.00 H new ATOM 1493 N ILE A 92 4.640 -5.436 3.434 1.00 0.00 N ATOM 1494 CA ILE A 92 4.596 -5.906 2.055 1.00 0.00 C ATOM 1495 C ILE A 92 4.773 -4.751 1.075 1.00 0.00 C ATOM 1496 O ILE A 92 3.956 -3.831 1.031 1.00 0.00 O ATOM 1497 CB ILE A 92 3.271 -6.630 1.746 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.013 -7.730 2.776 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.295 -7.208 0.338 1.00 0.00 C ATOM 1500 CD1 ILE A 92 4.033 -8.847 2.735 1.00 0.00 C ATOM 0 H ILE A 92 4.208 -4.524 3.583 1.00 0.00 H new ATOM 0 HA ILE A 92 5.420 -6.610 1.936 1.00 0.00 H new ATOM 0 HB ILE A 92 2.458 -5.906 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.008 -7.289 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.021 -8.149 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.352 -7.716 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.435 -6.403 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.116 -7.920 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.788 -9.592 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.022 -9.314 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.025 -8.441 2.933 1.00 0.00 H new ATOM 1512 N ASP A 93 5.843 -4.807 0.290 1.00 0.00 N ATOM 1513 CA ASP A 93 6.126 -3.767 -0.690 1.00 0.00 C ATOM 1514 C ASP A 93 5.554 -4.134 -2.055 1.00 0.00 C ATOM 1515 O ASP A 93 4.998 -5.218 -2.235 1.00 0.00 O ATOM 1516 CB ASP A 93 7.635 -3.540 -0.799 1.00 0.00 C ATOM 1517 CG ASP A 93 8.375 -4.776 -1.280 1.00 0.00 C ATOM 1518 OD1 ASP A 93 7.706 -5.772 -1.626 1.00 0.00 O ATOM 1519 OD2 ASP A 93 9.623 -4.745 -1.310 1.00 0.00 O ATOM 0 H ASP A 93 6.528 -5.562 0.314 1.00 0.00 H new ATOM 0 HA ASP A 93 5.650 -2.846 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.827 -2.715 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.026 -3.242 0.174 1.00 0.00 H new ATOM 1524 N LEU A 94 5.693 -3.225 -3.014 1.00 0.00 N ATOM 1525 CA LEU A 94 5.190 -3.453 -4.364 1.00 0.00 C ATOM 1526 C LEU A 94 5.843 -4.682 -4.990 1.00 0.00 C ATOM 1527 O LEU A 94 5.251 -5.345 -5.842 1.00 0.00 O ATOM 1528 CB LEU A 94 5.444 -2.226 -5.243 1.00 0.00 C ATOM 1529 CG LEU A 94 4.985 -0.892 -4.650 1.00 0.00 C ATOM 1530 CD1 LEU A 94 5.116 0.223 -5.678 1.00 0.00 C ATOM 1531 CD2 LEU A 94 3.551 -0.991 -4.150 1.00 0.00 C ATOM 0 H LEU A 94 6.150 -2.323 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 94 4.116 -3.628 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.512 -2.164 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.940 -2.373 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 94 5.628 -0.656 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.785 1.164 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.158 0.313 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.499 -0.008 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.244 -0.032 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.894 -1.252 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.486 -1.760 -3.380 1.00 0.00 H new ATOM 1543 N GLY A 95 7.067 -4.980 -4.563 1.00 0.00 N ATOM 1544 CA GLY A 95 7.778 -6.128 -5.095 1.00 0.00 C ATOM 1545 C GLY A 95 8.757 -6.717 -4.099 1.00 0.00 C ATOM 1546 O GLY A 95 9.519 -5.988 -3.464 1.00 0.00 O ATOM 0 H GLY A 95 7.578 -4.447 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.059 -6.893 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.315 -5.833 -5.996 1.00 0.00 H new ATOM 1613 N LYS A 101 13.033 -3.305 0.773 1.00 0.00 N ATOM 1614 CA LYS A 101 11.673 -2.947 0.393 1.00 0.00 C ATOM 1615 C LYS A 101 11.664 -1.863 -0.681 1.00 0.00 C ATOM 1616 O LYS A 101 12.641 -1.132 -0.847 1.00 0.00 O ATOM 1617 CB LYS A 101 10.889 -2.473 1.618 1.00 0.00 C ATOM 1618 CG LYS A 101 10.858 -3.486 2.751 1.00 0.00 C ATOM 1619 CD LYS A 101 10.924 -2.806 4.108 1.00 0.00 C ATOM 1620 CE LYS A 101 11.652 -3.667 5.128 1.00 0.00 C ATOM 1621 NZ LYS A 101 12.447 -2.847 6.082 1.00 0.00 N ATOM 0 HA LYS A 101 11.196 -3.837 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.329 -1.545 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.866 -2.245 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.946 -4.080 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.696 -4.175 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.432 -1.847 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.914 -2.597 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.928 -4.266 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.312 -4.363 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.927 -3.472 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.156 -2.295 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.814 -2.201 6.595 1.00 0.00 H new ATOM 1635 N ILE A 102 10.555 -1.765 -1.406 1.00 0.00 N ATOM 1636 CA ILE A 102 10.420 -0.770 -2.463 1.00 0.00 C ATOM 1637 C ILE A 102 10.446 0.645 -1.890 1.00 0.00 C ATOM 1638 O ILE A 102 9.400 1.242 -1.636 1.00 0.00 O ATOM 1639 CB ILE A 102 9.114 -0.967 -3.259 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.023 -2.402 -3.781 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.034 0.025 -4.410 1.00 0.00 C ATOM 1642 CD1 ILE A 102 10.093 -2.746 -4.794 1.00 0.00 C ATOM 0 H ILE A 102 9.737 -2.362 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 102 11.268 -0.904 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 102 8.271 -0.785 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.096 -3.091 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.043 -2.554 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.106 -0.130 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.058 1.041 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.881 -0.125 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.967 -3.778 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.008 -2.081 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.076 -2.627 -4.339 1.00 0.00 H new ATOM 1654 N ASN A 103 11.649 1.172 -1.691 1.00 0.00 N ATOM 1655 CA ASN A 103 11.812 2.517 -1.149 1.00 0.00 C ATOM 1656 C ASN A 103 12.158 3.513 -2.252 1.00 0.00 C ATOM 1657 O ASN A 103 11.916 4.712 -2.116 1.00 0.00 O ATOM 1658 CB ASN A 103 12.904 2.527 -0.077 1.00 0.00 C ATOM 1659 CG ASN A 103 12.426 1.949 1.240 1.00 0.00 C ATOM 1660 OD1 ASN A 103 11.326 1.403 1.330 1.00 0.00 O ATOM 1661 ND2 ASN A 103 13.253 2.069 2.274 1.00 0.00 N ATOM 0 H ASN A 103 12.524 0.690 -1.896 1.00 0.00 H new ATOM 0 HA ASN A 103 10.865 2.817 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.762 1.956 -0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.245 3.550 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.985 1.701 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.156 2.529 2.155 1.00 0.00 H new ATOM 1668 N TRP A 104 12.724 3.010 -3.347 1.00 0.00 N ATOM 1669 CA TRP A 104 13.100 3.860 -4.473 1.00 0.00 C ATOM 1670 C TRP A 104 12.307 3.503 -5.731 1.00 0.00 C ATOM 1671 O TRP A 104 12.493 4.114 -6.783 1.00 0.00 O ATOM 1672 CB TRP A 104 14.602 3.745 -4.752 1.00 0.00 C ATOM 1673 CG TRP A 104 15.141 2.355 -4.589 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.341 1.686 -3.417 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.554 1.468 -5.635 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.849 0.435 -3.669 1.00 0.00 N ATOM 1677 CE2 TRP A 104 15.990 0.277 -5.022 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.597 1.563 -7.029 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 16.462 -0.808 -5.756 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 16.066 0.484 -7.755 1.00 0.00 C ATOM 1681 CH2 TRP A 104 16.493 -0.687 -7.119 1.00 0.00 C ATOM 0 H TRP A 104 12.932 2.020 -3.478 1.00 0.00 H new ATOM 0 HA TRP A 104 12.864 4.889 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.801 4.085 -5.768 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.140 4.415 -4.081 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.131 2.082 -2.435 1.00 0.00 H new ATOM 0 HE1 TRP A 104 16.083 -0.263 -2.963 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.270 2.462 -7.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 16.792 -1.713 -5.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.104 0.546 -8.833 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.854 -1.512 -7.715 1.00 0.00 H new ATOM 1692 N ALA A 105 11.419 2.516 -5.618 1.00 0.00 N ATOM 1693 CA ALA A 105 10.600 2.089 -6.748 1.00 0.00 C ATOM 1694 C ALA A 105 11.460 1.526 -7.875 1.00 0.00 C ATOM 1695 O ALA A 105 12.412 2.164 -8.323 1.00 0.00 O ATOM 1696 CB ALA A 105 9.757 3.250 -7.256 1.00 0.00 C ATOM 0 H ALA A 105 11.250 1.998 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 105 9.939 1.294 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.151 2.918 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.105 3.603 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.411 4.061 -7.576 1.00 0.00 H new ATOM 1702 N MET A 106 11.112 0.326 -8.331 1.00 0.00 N ATOM 1703 CA MET A 106 11.847 -0.328 -9.409 1.00 0.00 C ATOM 1704 C MET A 106 11.219 -1.673 -9.756 1.00 0.00 C ATOM 1705 O MET A 106 10.754 -2.397 -8.877 1.00 0.00 O ATOM 1706 CB MET A 106 13.313 -0.524 -9.014 1.00 0.00 C ATOM 1707 CG MET A 106 14.266 -0.529 -10.199 1.00 0.00 C ATOM 1708 SD MET A 106 15.554 -1.781 -10.050 1.00 0.00 S ATOM 1709 CE MET A 106 15.350 -2.663 -11.597 1.00 0.00 C ATOM 0 H MET A 106 10.325 -0.213 -7.970 1.00 0.00 H new ATOM 0 HA MET A 106 11.799 0.315 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.605 0.270 -8.327 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.413 -1.466 -8.474 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.700 -0.703 -11.114 1.00 0.00 H new ATOM 0 HG3 MET A 106 14.729 0.453 -10.292 1.00 0.00 H new ATOM 0 HE1 MET A 106 16.079 -3.471 -11.654 1.00 0.00 H new ATOM 0 HE2 MET A 106 14.343 -3.078 -11.649 1.00 0.00 H new ATOM 0 HE3 MET A 106 15.504 -1.977 -12.430 1.00 0.00 H new ATOM 1719 N GLU A 107 11.209 -2.003 -11.047 1.00 0.00 N ATOM 1720 CA GLU A 107 10.638 -3.265 -11.514 1.00 0.00 C ATOM 1721 C GLU A 107 9.113 -3.261 -11.408 1.00 0.00 C ATOM 1722 O GLU A 107 8.468 -4.292 -11.601 1.00 0.00 O ATOM 1723 CB GLU A 107 11.204 -4.435 -10.709 1.00 0.00 C ATOM 1724 CG GLU A 107 11.288 -5.733 -11.494 1.00 0.00 C ATOM 1725 CD GLU A 107 12.558 -6.507 -11.205 1.00 0.00 C ATOM 1726 OE1 GLU A 107 12.748 -6.923 -10.043 1.00 0.00 O ATOM 1727 OE2 GLU A 107 13.362 -6.700 -12.141 1.00 0.00 O ATOM 0 H GLU A 107 11.590 -1.414 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 107 10.909 -3.380 -12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.200 -4.171 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.582 -4.593 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.425 -6.355 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.236 -5.513 -12.560 1.00 0.00 H new ATOM 1734 N ASP A 108 8.541 -2.102 -11.100 1.00 0.00 N ATOM 1735 CA ASP A 108 7.093 -1.970 -10.966 1.00 0.00 C ATOM 1736 C ASP A 108 6.371 -2.531 -12.189 1.00 0.00 C ATOM 1737 O ASP A 108 6.946 -2.619 -13.274 1.00 0.00 O ATOM 1738 CB ASP A 108 6.711 -0.502 -10.765 1.00 0.00 C ATOM 1739 CG ASP A 108 7.301 0.080 -9.496 1.00 0.00 C ATOM 1740 OD1 ASP A 108 6.937 -0.396 -8.400 1.00 0.00 O ATOM 1741 OD2 ASP A 108 8.126 1.012 -9.597 1.00 0.00 O ATOM 0 H ASP A 108 9.059 -1.238 -10.938 1.00 0.00 H new ATOM 0 HA ASP A 108 6.784 -2.545 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.052 0.080 -11.621 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.625 -0.413 -10.732 1.00 0.00 H new ATOM 1746 N LYS A 109 5.107 -2.915 -11.995 1.00 0.00 N ATOM 1747 CA LYS A 109 4.275 -3.478 -13.063 1.00 0.00 C ATOM 1748 C LYS A 109 4.446 -4.991 -13.147 1.00 0.00 C ATOM 1749 O LYS A 109 3.474 -5.726 -13.326 1.00 0.00 O ATOM 1750 CB LYS A 109 4.599 -2.837 -14.418 1.00 0.00 C ATOM 1751 CG LYS A 109 3.439 -2.873 -15.399 1.00 0.00 C ATOM 1752 CD LYS A 109 3.906 -2.619 -16.823 1.00 0.00 C ATOM 1753 CE LYS A 109 2.733 -2.529 -17.787 1.00 0.00 C ATOM 1754 NZ LYS A 109 3.082 -3.048 -19.137 1.00 0.00 N ATOM 0 H LYS A 109 4.632 -2.845 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 109 3.236 -3.256 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.898 -1.801 -14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.453 -3.351 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.945 -3.843 -15.345 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.700 -2.123 -15.118 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.480 -1.693 -16.859 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.575 -3.421 -17.136 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.891 -3.094 -17.388 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.410 -1.491 -17.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.256 -2.969 -19.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.869 -2.493 -19.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.366 -4.046 -19.063 1.00 0.00 H new ATOM 1768 N GLN A 110 5.684 -5.451 -13.015 1.00 0.00 N ATOM 1769 CA GLN A 110 5.984 -6.873 -13.072 1.00 0.00 C ATOM 1770 C GLN A 110 5.912 -7.491 -11.677 1.00 0.00 C ATOM 1771 O GLN A 110 5.201 -8.471 -11.456 1.00 0.00 O ATOM 1772 CB GLN A 110 7.370 -7.076 -13.701 1.00 0.00 C ATOM 1773 CG GLN A 110 8.230 -8.128 -13.016 1.00 0.00 C ATOM 1774 CD GLN A 110 7.616 -9.513 -13.072 1.00 0.00 C ATOM 1775 OE1 GLN A 110 6.548 -9.708 -13.654 1.00 0.00 O ATOM 1776 NE2 GLN A 110 8.288 -10.484 -12.466 1.00 0.00 N ATOM 0 H GLN A 110 6.499 -4.855 -12.867 1.00 0.00 H new ATOM 0 HA GLN A 110 5.242 -7.377 -13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.242 -7.355 -14.747 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.903 -6.125 -13.688 1.00 0.00 H new ATOM 0 HG2 GLN A 110 9.213 -8.151 -13.487 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.383 -7.845 -11.975 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.169 -10.278 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.923 -11.437 -12.471 1.00 0.00 H new ATOM 1785 N GLU A 111 6.654 -6.908 -10.740 1.00 0.00 N ATOM 1786 CA GLU A 111 6.675 -7.399 -9.368 1.00 0.00 C ATOM 1787 C GLU A 111 5.332 -7.153 -8.688 1.00 0.00 C ATOM 1788 O GLU A 111 4.891 -7.944 -7.855 1.00 0.00 O ATOM 1789 CB GLU A 111 7.794 -6.718 -8.577 1.00 0.00 C ATOM 1790 CG GLU A 111 8.545 -7.663 -7.652 1.00 0.00 C ATOM 1791 CD GLU A 111 9.141 -8.847 -8.386 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.927 -8.625 -9.332 1.00 0.00 O ATOM 1793 OE2 GLU A 111 8.824 -9.997 -8.016 1.00 0.00 O ATOM 0 H GLU A 111 7.248 -6.096 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 111 6.861 -8.473 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.500 -6.269 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.369 -5.906 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.341 -7.115 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.867 -8.024 -6.879 1.00 0.00 H new ATOM 1800 N MET A 112 4.685 -6.052 -9.054 1.00 0.00 N ATOM 1801 CA MET A 112 3.390 -5.702 -8.484 1.00 0.00 C ATOM 1802 C MET A 112 2.355 -6.778 -8.797 1.00 0.00 C ATOM 1803 O MET A 112 1.681 -7.285 -7.901 1.00 0.00 O ATOM 1804 CB MET A 112 2.918 -4.351 -9.025 1.00 0.00 C ATOM 1805 CG MET A 112 3.662 -3.165 -8.430 1.00 0.00 C ATOM 1806 SD MET A 112 2.594 -2.094 -7.449 1.00 0.00 S ATOM 1807 CE MET A 112 1.871 -3.279 -6.317 1.00 0.00 C ATOM 0 H MET A 112 5.036 -5.387 -9.743 1.00 0.00 H new ATOM 0 HA MET A 112 3.502 -5.631 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.040 -4.340 -10.108 1.00 0.00 H new ATOM 0 HB3 MET A 112 1.853 -4.240 -8.823 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.477 -3.529 -7.805 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.113 -2.583 -9.234 1.00 0.00 H new ATOM 0 HE1 MET A 112 0.852 -2.976 -6.075 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.856 -4.264 -6.783 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.464 -3.318 -5.404 1.00 0.00 H new ATOM 1817 N VAL A 113 2.240 -7.125 -10.076 1.00 0.00 N ATOM 1818 CA VAL A 113 1.292 -8.145 -10.509 1.00 0.00 C ATOM 1819 C VAL A 113 1.543 -9.465 -9.786 1.00 0.00 C ATOM 1820 O VAL A 113 0.603 -10.164 -9.404 1.00 0.00 O ATOM 1821 CB VAL A 113 1.373 -8.375 -12.032 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.360 -9.421 -12.474 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.159 -7.069 -12.779 1.00 0.00 C ATOM 0 H VAL A 113 2.791 -6.715 -10.830 1.00 0.00 H new ATOM 0 HA VAL A 113 0.295 -7.783 -10.260 1.00 0.00 H new ATOM 0 HB VAL A 113 2.369 -8.747 -12.270 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.435 -9.567 -13.552 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.564 -10.363 -11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.645 -9.083 -12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.219 -7.250 -13.852 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.176 -6.666 -12.534 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.928 -6.353 -12.488 1.00 0.00 H new ATOM 1833 N ASP A 114 2.816 -9.797 -9.597 1.00 0.00 N ATOM 1834 CA ASP A 114 3.190 -11.032 -8.916 1.00 0.00 C ATOM 1835 C ASP A 114 2.952 -10.914 -7.414 1.00 0.00 C ATOM 1836 O ASP A 114 2.658 -11.903 -6.742 1.00 0.00 O ATOM 1837 CB ASP A 114 4.657 -11.366 -9.188 1.00 0.00 C ATOM 1838 CG ASP A 114 4.838 -12.202 -10.440 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.376 -11.767 -11.516 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.439 -13.292 -10.343 1.00 0.00 O ATOM 0 H ASP A 114 3.605 -9.229 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 114 2.566 -11.837 -9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.225 -10.441 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.069 -11.903 -8.333 1.00 0.00 H new ATOM 1845 N ILE A 115 3.077 -9.697 -6.895 1.00 0.00 N ATOM 1846 CA ILE A 115 2.871 -9.447 -5.474 1.00 0.00 C ATOM 1847 C ILE A 115 1.393 -9.535 -5.123 1.00 0.00 C ATOM 1848 O ILE A 115 0.985 -10.341 -4.288 1.00 0.00 O ATOM 1849 CB ILE A 115 3.413 -8.056 -5.064 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.919 -8.130 -4.809 1.00 0.00 C ATOM 1851 CG2 ILE A 115 2.688 -7.522 -3.831 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.300 -9.108 -3.718 1.00 0.00 C ATOM 0 H ILE A 115 3.320 -8.868 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 115 3.420 -10.212 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 115 3.228 -7.364 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.422 -8.415 -5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.283 -7.138 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.091 -6.544 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 115 1.623 -7.430 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.832 -8.210 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.383 -9.108 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.825 -8.812 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.967 -10.109 -3.994 1.00 0.00 H new ATOM 1864 N ILE A 116 0.597 -8.685 -5.763 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.837 -8.651 -5.514 1.00 0.00 C ATOM 1866 C ILE A 116 -1.451 -10.042 -5.640 1.00 0.00 C ATOM 1867 O ILE A 116 -2.397 -10.381 -4.930 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.556 -7.691 -6.483 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.885 -6.315 -6.468 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -3.029 -7.572 -6.117 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.597 -5.770 -7.849 1.00 0.00 C ATOM 0 H ILE A 116 0.921 -8.012 -6.457 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.971 -8.290 -4.494 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.484 -8.098 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.526 -5.613 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.049 -6.381 -5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.522 -6.891 -6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.499 -8.554 -6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.122 -7.186 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.122 -4.793 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.069 -6.452 -8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.530 -5.672 -8.403 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.903 -10.845 -6.547 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.393 -12.201 -6.764 1.00 0.00 C ATOM 1885 C GLU A 117 -1.168 -13.061 -5.525 1.00 0.00 C ATOM 1886 O GLU A 117 -2.104 -13.656 -4.991 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.696 -12.832 -7.971 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.342 -14.125 -8.439 1.00 0.00 C ATOM 1889 CD GLU A 117 -2.390 -13.900 -9.511 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -2.010 -13.537 -10.645 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -3.589 -14.084 -9.218 1.00 0.00 O ATOM 0 H GLU A 117 -0.119 -10.580 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.464 -12.148 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.695 -12.117 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.346 -13.027 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.571 -14.793 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.801 -14.626 -7.587 1.00 0.00 H new ATOM 1898 N THR A 118 0.081 -13.117 -5.069 1.00 0.00 N ATOM 1899 CA THR A 118 0.428 -13.900 -3.889 1.00 0.00 C ATOM 1900 C THR A 118 -0.366 -13.430 -2.675 1.00 0.00 C ATOM 1901 O THR A 118 -0.865 -14.240 -1.894 1.00 0.00 O ATOM 1902 CB THR A 118 1.927 -13.797 -3.605 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.674 -13.895 -4.804 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.433 -14.867 -2.661 1.00 0.00 C ATOM 0 H THR A 118 0.867 -12.630 -5.499 1.00 0.00 H new ATOM 0 HA THR A 118 0.175 -14.942 -4.086 1.00 0.00 H new ATOM 0 HB THR A 118 2.064 -12.824 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.657 -13.034 -5.271 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.503 -14.736 -2.503 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.912 -14.786 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.248 -15.850 -3.093 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.482 -12.114 -2.527 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.220 -11.534 -1.413 1.00 0.00 C ATOM 1914 C VAL A 119 -2.706 -11.859 -1.518 1.00 0.00 C ATOM 1915 O VAL A 119 -3.393 -12.006 -0.506 1.00 0.00 O ATOM 1916 CB VAL A 119 -1.041 -10.002 -1.357 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.838 -9.406 -0.206 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.433 -9.642 -1.235 1.00 0.00 C ATOM 0 H VAL A 119 -0.074 -11.430 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.817 -11.971 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.422 -9.579 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.696 -8.325 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.896 -9.631 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.493 -9.834 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.541 -8.558 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.840 -10.079 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.975 -10.030 -2.097 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.197 -11.970 -2.747 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.602 -12.278 -2.984 1.00 0.00 C ATOM 1930 C TYR A 120 -4.984 -13.601 -2.338 1.00 0.00 C ATOM 1931 O TYR A 120 -5.947 -13.681 -1.576 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.887 -12.330 -4.487 1.00 0.00 C ATOM 1933 CG TYR A 120 -6.322 -12.014 -4.852 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -7.381 -12.637 -4.203 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -6.615 -11.093 -5.850 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -8.691 -12.350 -4.537 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.923 -10.801 -6.190 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.957 -11.431 -5.531 1.00 0.00 C ATOM 1939 OH TYR A 120 -10.259 -11.143 -5.866 1.00 0.00 O ATOM 0 H TYR A 120 -2.643 -11.851 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.203 -11.488 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.230 -11.625 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.638 -13.324 -4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.177 -13.357 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.808 -10.597 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.503 -12.843 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.134 -10.083 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.717 -10.753 -5.093 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.219 -14.636 -2.650 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.467 -15.966 -2.108 1.00 0.00 C ATOM 1951 C ARG A 121 -3.956 -16.076 -0.675 1.00 0.00 C ATOM 1952 O ARG A 121 -4.535 -16.784 0.149 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.799 -17.029 -2.982 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.618 -17.414 -4.204 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.403 -18.694 -3.968 1.00 0.00 C ATOM 1956 NE ARG A 121 -4.539 -19.871 -3.944 1.00 0.00 N ATOM 1957 CZ ARG A 121 -4.028 -20.437 -5.034 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -4.293 -19.939 -6.236 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -3.250 -21.506 -4.924 1.00 0.00 N ATOM 0 H ARG A 121 -3.417 -14.581 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.544 -16.132 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.826 -16.661 -3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.617 -17.920 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.305 -16.605 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.956 -17.544 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.941 -18.620 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.151 -18.810 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.314 -20.283 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.891 -19.118 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.898 -20.377 -7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.044 -21.894 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.858 -21.940 -5.760 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.868 -15.371 -0.385 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.297 -15.404 0.948 1.00 0.00 C ATOM 1975 C GLY A 122 -3.157 -14.678 1.964 1.00 0.00 C ATOM 1976 O GLY A 122 -3.331 -15.148 3.089 1.00 0.00 O ATOM 0 H GLY A 122 -2.371 -14.777 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.168 -16.441 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.305 -14.952 0.927 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.694 -13.531 1.567 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.538 -12.736 2.450 1.00 0.00 C ATOM 1982 C ALA A 123 -5.915 -13.371 2.615 1.00 0.00 C ATOM 1983 O ALA A 123 -6.412 -13.514 3.733 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.672 -11.318 1.913 1.00 0.00 C ATOM 0 H ALA A 123 -3.560 -13.130 0.639 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.063 -12.701 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.305 -10.734 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.686 -10.857 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.121 -11.346 0.920 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.526 -13.751 1.498 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.846 -14.371 1.522 1.00 0.00 C ATOM 1992 C ARG A 124 -7.831 -15.656 2.343 1.00 0.00 C ATOM 1993 O ARG A 124 -6.788 -16.068 2.851 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.322 -14.666 0.096 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.496 -15.727 -0.615 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.186 -17.082 -0.591 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.086 -17.770 -1.876 1.00 0.00 N ATOM 1998 CZ ARG A 124 -8.817 -18.832 -2.207 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.701 -19.330 -1.352 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -8.664 -19.396 -3.397 1.00 0.00 N ATOM 0 H ARG A 124 -6.129 -13.641 0.565 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.538 -13.672 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.362 -14.989 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.293 -13.745 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.324 -15.424 -1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.518 -15.807 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.741 -17.702 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.236 -16.949 -0.332 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.417 -17.416 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.823 -18.899 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.258 -20.144 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.987 -19.016 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.224 -20.210 -3.651 1.00 0.00 H new