USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1058 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 65 TYR OH : rot -80:sc= -1.59 USER MOD Set 1.2: B 141 MET CE :methyl -130:sc= -2.62! (180deg=-3.22) USER MOD Set 2.1: B 109 GLN : amide:sc= 0.445 K(o=0.61,f=-0.31) USER MOD Set 2.2: B 112 GLN : amide:sc= 0.161 K(o=0.61,f=-0.32) USER MOD Set 3.1: A 73 TYR OH : rot 180:sc= 0.218 USER MOD Set 3.2: A 77 LYS NZ :NH3+ -113:sc= 2.33 (180deg=0.132) USER MOD Set 4.1: A 46 TYR OH : rot -30:sc= 0.419 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -132:sc= 0.446 (180deg=-0.249) USER MOD Set 5.1: A 20 HIS : no HE2:sc= 0.526 K(o=1.4,f=-5.8!) USER MOD Set 5.2: A 24 GLN : amide:sc= 0.831 K(o=1.4,f=-5.4!) USER MOD Set 6.1: A 17 HIS : no HE2:sc= 0.883 K(o=1.8,f=-8.2!) USER MOD Set 6.2: A 21 LYS NZ :NH3+ 157:sc= 0.985 (180deg=-1.08) USER MOD Set 6.3: B 128 SER OG : rot 180:sc= 0 USER MOD Set 6.4: B 150 MET CE :methyl 180:sc= -0.0347 (180deg=-0.0347) USER MOD Single : A 1 GLY N :NH3+ 159:sc= 1.25 (180deg=1.21) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 2.36 (180deg=2.02) USER MOD Single : A 7 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=-0.0037) USER MOD Single : A 9 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 11 THR OG1 : rot 133:sc= 0.761 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.012 F(o=-2.2!,f=-0.012) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -99:sc= 0.428 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 173:sc= -7.46! (180deg=-7.81!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0596) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 165:sc= -1.52! (180deg=-2.66!) USER MOD Single : A 55 TYR OH : rot 130:sc= 0 USER MOD Single : A 57 SER OG : rot 88:sc= 0.919 USER MOD Single : A 59 ASN : amide:sc= 1 K(o=1,f=-0.0095) USER MOD Single : A 60 SER OG : rot 180:sc= 0.52 USER MOD Single : A 64 TYR OH : rot -140:sc= 0.814 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= -1.59! (180deg=-3.98!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.802 F(o=-3.2!,f=-0.8) USER MOD Single : A 82 LYS NZ :NH3+ -157:sc= 0.236 (180deg=-0.395) USER MOD Single : A 85 SER OG : rot 51:sc= 0.241 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl 163:sc= -0.0749 (180deg=-0.423) USER MOD Single : B 104 SER OG : rot -44:sc= 0.151 USER MOD Single : B 105 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0097) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.6!) USER MOD Single : B 110 THR OG1 : rot 180:sc= 0 USER MOD Single : B 116 THR OG1 : rot 67:sc= 0.403 USER MOD Single : B 117 SER OG : rot -171:sc= 0.781 USER MOD Single : B 119 SER OG : rot -28:sc= 0.0304 USER MOD Single : B 121 SER OG : rot 128:sc= 1.22 USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot -83:sc= 0.815 USER MOD Single : B 136 SER OG : rot -110:sc= 0.955 USER MOD Single : B 139 CYS SG : rot -78:sc= 0.128 USER MOD Single : B 143 SER OG : rot 180:sc= 0.00529 USER MOD Single : B 147 SER OG : rot 82:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.751 1.777 15.677 1.00 0.00 N ATOM 2 CA GLY A 1 -13.133 2.886 16.549 1.00 0.00 C ATOM 3 C GLY A 1 -14.026 3.892 15.863 1.00 0.00 C ATOM 4 O GLY A 1 -14.187 5.010 16.357 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.891 1.325 16.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.522 1.080 15.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.568 2.136 14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.645 2.492 17.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.233 3.389 16.904 1.00 0.00 H new ATOM 10 N VAL A 2 -14.619 3.533 14.731 1.00 0.00 N ATOM 11 CA VAL A 2 -15.460 4.470 14.009 1.00 0.00 C ATOM 12 C VAL A 2 -16.735 3.813 13.534 1.00 0.00 C ATOM 13 O VAL A 2 -16.789 2.599 13.336 1.00 0.00 O ATOM 14 CB VAL A 2 -14.752 5.110 12.776 1.00 0.00 C ATOM 15 CG1 VAL A 2 -13.515 5.906 13.174 1.00 0.00 C ATOM 16 CG2 VAL A 2 -14.410 4.060 11.736 1.00 0.00 C ATOM 0 H VAL A 2 -14.533 2.612 14.300 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.684 5.260 14.726 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.458 5.812 12.333 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.055 6.333 12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.802 6.708 13.854 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.802 5.247 13.670 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.917 4.535 10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.743 3.318 12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.324 3.572 11.398 1.00 0.00 H new ATOM 26 N ARG A 3 -17.750 4.607 13.348 1.00 0.00 N ATOM 27 CA ARG A 3 -18.975 4.128 12.805 1.00 0.00 C ATOM 28 C ARG A 3 -19.292 4.934 11.543 1.00 0.00 C ATOM 29 O ARG A 3 -19.503 6.154 11.597 1.00 0.00 O ATOM 30 CB ARG A 3 -20.133 4.145 13.843 1.00 0.00 C ATOM 31 CG ARG A 3 -20.695 5.509 14.259 1.00 0.00 C ATOM 32 CD ARG A 3 -19.781 6.304 15.182 1.00 0.00 C ATOM 33 NE ARG A 3 -20.283 7.678 15.331 1.00 0.00 N ATOM 34 CZ ARG A 3 -19.729 8.665 16.047 1.00 0.00 C ATOM 35 NH1 ARG A 3 -18.655 8.444 16.798 1.00 0.00 N ATOM 36 NH2 ARG A 3 -20.265 9.877 16.008 1.00 0.00 N ATOM 0 H ARG A 3 -17.745 5.602 13.570 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.866 3.078 12.535 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.954 3.553 13.440 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.785 3.637 14.742 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.890 6.098 13.363 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.653 5.359 14.756 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.727 5.821 16.157 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.769 6.320 14.778 1.00 0.00 H new ATOM 0 HE ARG A 3 -21.146 7.904 14.836 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.241 7.512 16.835 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.244 9.206 17.338 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.092 10.051 15.436 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.851 10.636 16.550 1.00 0.00 H new ATOM 50 N LYS A 4 -19.215 4.276 10.419 1.00 0.00 N ATOM 51 CA LYS A 4 -19.437 4.886 9.129 1.00 0.00 C ATOM 52 C LYS A 4 -19.940 3.856 8.123 1.00 0.00 C ATOM 53 O LYS A 4 -19.185 3.010 7.631 1.00 0.00 O ATOM 54 CB LYS A 4 -18.180 5.663 8.646 1.00 0.00 C ATOM 55 CG LYS A 4 -16.832 4.985 8.945 1.00 0.00 C ATOM 56 CD LYS A 4 -15.648 5.916 8.650 1.00 0.00 C ATOM 57 CE LYS A 4 -15.626 7.134 9.573 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.588 8.105 9.201 1.00 0.00 N ATOM 0 H LYS A 4 -18.992 3.282 10.369 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.226 5.632 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.260 5.817 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.183 6.649 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.803 4.680 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.740 4.079 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.716 5.362 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.700 6.249 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.600 7.622 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.460 6.805 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.843 9.044 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.676 7.811 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.509 8.149 8.165 1.00 0.00 H new ATOM 72 N GLY A 5 -21.239 3.946 7.849 1.00 0.00 N ATOM 73 CA GLY A 5 -21.980 3.021 6.992 1.00 0.00 C ATOM 74 C GLY A 5 -21.402 2.797 5.603 1.00 0.00 C ATOM 75 O GLY A 5 -21.653 1.754 4.993 1.00 0.00 O ATOM 0 H GLY A 5 -21.825 4.689 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.043 2.058 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.999 3.392 6.885 1.00 0.00 H new ATOM 79 N TRP A 6 -20.598 3.732 5.110 1.00 0.00 N ATOM 80 CA TRP A 6 -19.985 3.597 3.787 1.00 0.00 C ATOM 81 C TRP A 6 -19.018 2.419 3.715 1.00 0.00 C ATOM 82 O TRP A 6 -18.562 2.058 2.635 1.00 0.00 O ATOM 83 CB TRP A 6 -19.283 4.890 3.327 1.00 0.00 C ATOM 84 CG TRP A 6 -18.149 5.331 4.184 1.00 0.00 C ATOM 85 CD1 TRP A 6 -18.191 6.286 5.132 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.797 4.840 4.162 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.969 6.433 5.704 1.00 0.00 N ATOM 88 CE2 TRP A 6 -16.092 5.548 5.128 1.00 0.00 C ATOM 89 CE3 TRP A 6 -16.124 3.868 3.420 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.748 5.320 5.370 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.794 3.645 3.665 1.00 0.00 C ATOM 92 CH2 TRP A 6 -14.122 4.364 4.628 1.00 0.00 C ATOM 0 H TRP A 6 -20.354 4.591 5.603 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.809 3.402 3.101 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.915 4.744 2.311 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -20.021 5.691 3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -19.070 6.853 5.399 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.739 7.096 6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.644 3.299 2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.213 5.881 6.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.266 2.895 3.095 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -13.074 4.166 4.799 1.00 0.00 H new ATOM 103 N HIS A 7 -18.714 1.813 4.862 1.00 0.00 N ATOM 104 CA HIS A 7 -17.804 0.676 4.927 1.00 0.00 C ATOM 105 C HIS A 7 -18.345 -0.527 4.142 1.00 0.00 C ATOM 106 O HIS A 7 -17.604 -1.431 3.809 1.00 0.00 O ATOM 107 CB HIS A 7 -17.462 0.286 6.399 1.00 0.00 C ATOM 108 CG HIS A 7 -18.568 -0.371 7.211 1.00 0.00 C ATOM 109 ND1 HIS A 7 -18.363 -1.472 8.016 1.00 0.00 N ATOM 110 CD2 HIS A 7 -19.869 -0.035 7.377 1.00 0.00 C ATOM 111 CE1 HIS A 7 -19.506 -1.764 8.634 1.00 0.00 C ATOM 112 NE2 HIS A 7 -20.461 -0.917 8.283 1.00 0.00 N ATOM 0 H HIS A 7 -19.091 2.096 5.767 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.874 0.987 4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.607 -0.390 6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.145 1.187 6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.370 0.786 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.636 -2.581 9.328 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.428 -0.910 8.607 1.00 0.00 H new ATOM 120 N GLU A 8 -19.636 -0.512 3.837 1.00 0.00 N ATOM 121 CA GLU A 8 -20.228 -1.581 3.065 1.00 0.00 C ATOM 122 C GLU A 8 -20.073 -1.305 1.566 1.00 0.00 C ATOM 123 O GLU A 8 -20.335 -2.158 0.735 1.00 0.00 O ATOM 124 CB GLU A 8 -21.694 -1.756 3.392 1.00 0.00 C ATOM 125 CG GLU A 8 -22.566 -0.644 2.891 1.00 0.00 C ATOM 126 CD GLU A 8 -24.015 -0.983 2.981 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.498 -1.807 2.159 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.706 -0.450 3.856 1.00 0.00 O ATOM 0 H GLU A 8 -20.284 0.226 4.113 1.00 0.00 H new ATOM 0 HA GLU A 8 -19.704 -2.500 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.041 -2.697 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -21.808 -1.835 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.369 0.259 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.310 -0.422 1.855 1.00 0.00 H new ATOM 135 N HIS A 9 -19.651 -0.101 1.235 1.00 0.00 N ATOM 136 CA HIS A 9 -19.451 0.305 -0.157 1.00 0.00 C ATOM 137 C HIS A 9 -18.047 -0.056 -0.594 1.00 0.00 C ATOM 138 O HIS A 9 -17.591 0.311 -1.685 1.00 0.00 O ATOM 139 CB HIS A 9 -19.670 1.817 -0.332 1.00 0.00 C ATOM 140 CG HIS A 9 -21.095 2.294 -0.231 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.787 2.888 -1.272 1.00 0.00 N ATOM 142 CD2 HIS A 9 -21.938 2.314 0.830 1.00 0.00 C ATOM 143 CE1 HIS A 9 -22.990 3.244 -0.822 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.137 2.917 0.455 1.00 0.00 N ATOM 0 H HIS A 9 -19.435 0.628 1.915 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.180 -0.221 -0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.079 2.339 0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.278 2.111 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.715 1.924 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.745 3.734 -1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.957 3.074 1.041 1.00 0.00 H new ATOM 152 N VAL A 10 -17.363 -0.743 0.280 1.00 0.00 N ATOM 153 CA VAL A 10 -16.035 -1.208 0.055 1.00 0.00 C ATOM 154 C VAL A 10 -16.038 -2.629 0.492 1.00 0.00 C ATOM 155 O VAL A 10 -16.271 -2.914 1.670 1.00 0.00 O ATOM 156 CB VAL A 10 -14.988 -0.461 0.916 1.00 0.00 C ATOM 157 CG1 VAL A 10 -13.738 -0.126 0.184 1.00 0.00 C ATOM 158 CG2 VAL A 10 -15.560 0.673 1.689 1.00 0.00 C ATOM 0 H VAL A 10 -17.733 -0.999 1.195 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.768 -1.056 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.673 -1.182 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.053 0.396 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.268 -1.043 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.974 0.515 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.772 1.152 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.996 1.398 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.332 0.301 2.363 1.00 0.00 H new ATOM 168 N THR A 11 -15.858 -3.517 -0.407 1.00 0.00 N ATOM 169 CA THR A 11 -15.844 -4.878 -0.049 1.00 0.00 C ATOM 170 C THR A 11 -14.409 -5.229 0.312 1.00 0.00 C ATOM 171 O THR A 11 -13.506 -4.369 0.163 1.00 0.00 O ATOM 172 CB THR A 11 -16.343 -5.726 -1.213 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.239 -4.926 -2.026 1.00 0.00 O ATOM 174 CG2 THR A 11 -17.118 -6.899 -0.668 1.00 0.00 C ATOM 0 H THR A 11 -15.718 -3.325 -1.399 1.00 0.00 H new ATOM 0 HA THR A 11 -16.502 -5.073 0.798 1.00 0.00 H new ATOM 0 HB THR A 11 -15.497 -6.073 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.000 -5.025 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.479 -7.512 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.470 -7.498 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.966 -6.536 -0.087 1.00 0.00 H new ATOM 182 N GLN A 12 -14.162 -6.446 0.789 1.00 0.00 N ATOM 183 CA GLN A 12 -12.818 -6.826 1.150 1.00 0.00 C ATOM 184 C GLN A 12 -11.936 -6.796 -0.087 1.00 0.00 C ATOM 185 O GLN A 12 -10.769 -6.521 0.004 1.00 0.00 O ATOM 186 CB GLN A 12 -12.778 -8.194 1.887 1.00 0.00 C ATOM 187 CG GLN A 12 -11.391 -8.593 2.437 1.00 0.00 C ATOM 188 CD GLN A 12 -10.599 -9.597 1.583 1.00 0.00 C ATOM 189 OE1 GLN A 12 -10.841 -9.645 0.299 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -9.783 -10.354 2.112 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.868 -7.169 0.929 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.424 -6.103 1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.487 -8.166 2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.119 -8.970 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.792 -7.689 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.523 -9.016 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.611 -10.298 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.279 -11.037 1.546 1.00 0.00 H new ATOM 199 N ASP A 13 -12.533 -7.033 -1.238 1.00 0.00 N ATOM 200 CA ASP A 13 -11.824 -7.011 -2.515 1.00 0.00 C ATOM 201 C ASP A 13 -11.140 -5.681 -2.790 1.00 0.00 C ATOM 202 O ASP A 13 -9.953 -5.671 -3.109 1.00 0.00 O ATOM 203 CB ASP A 13 -12.731 -7.379 -3.696 1.00 0.00 C ATOM 204 CG ASP A 13 -13.081 -8.842 -3.756 1.00 0.00 C ATOM 205 OD1 ASP A 13 -12.287 -9.639 -4.312 1.00 0.00 O ATOM 206 OD2 ASP A 13 -14.157 -9.235 -3.258 1.00 0.00 O ATOM 0 H ASP A 13 -13.527 -7.248 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.052 -7.774 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.650 -6.797 -3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.237 -7.094 -4.625 1.00 0.00 H new ATOM 211 N LEU A 14 -11.858 -4.556 -2.615 1.00 0.00 N ATOM 212 CA LEU A 14 -11.303 -3.239 -2.959 1.00 0.00 C ATOM 213 C LEU A 14 -10.172 -2.949 -2.035 1.00 0.00 C ATOM 214 O LEU A 14 -9.039 -2.733 -2.454 1.00 0.00 O ATOM 215 CB LEU A 14 -12.400 -2.143 -2.793 1.00 0.00 C ATOM 216 CG LEU A 14 -12.105 -0.692 -3.298 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.204 0.068 -2.359 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.475 -0.708 -4.677 1.00 0.00 C ATOM 0 H LEU A 14 -12.808 -4.534 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.957 -3.241 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.296 -2.494 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.644 -2.079 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.069 -0.185 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.029 1.069 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.678 0.141 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.253 -0.456 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.282 0.315 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.536 -1.261 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.153 -1.189 -5.381 1.00 0.00 H new ATOM 230 N ARG A 15 -10.469 -3.030 -0.775 1.00 0.00 N ATOM 231 CA ARG A 15 -9.503 -2.760 0.230 1.00 0.00 C ATOM 232 C ARG A 15 -8.299 -3.682 0.192 1.00 0.00 C ATOM 233 O ARG A 15 -7.188 -3.213 0.225 1.00 0.00 O ATOM 234 CB ARG A 15 -10.151 -2.711 1.564 1.00 0.00 C ATOM 235 CG ARG A 15 -10.961 -3.897 1.937 1.00 0.00 C ATOM 236 CD ARG A 15 -11.895 -3.506 3.029 1.00 0.00 C ATOM 237 NE ARG A 15 -11.149 -2.832 4.123 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.405 -2.914 5.420 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.458 -3.591 5.859 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.577 -2.319 6.278 1.00 0.00 N ATOM 0 H ARG A 15 -11.390 -3.286 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.087 -1.776 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.376 -2.573 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.793 -1.831 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.518 -4.262 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.313 -4.710 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.664 -2.840 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.404 -4.389 3.416 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.360 -2.247 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.079 -4.054 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.646 -3.648 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.763 -1.811 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.758 -2.371 7.281 1.00 0.00 H new ATOM 254 N SER A 16 -8.518 -4.976 0.041 1.00 0.00 N ATOM 255 CA SER A 16 -7.432 -5.931 0.007 1.00 0.00 C ATOM 256 C SER A 16 -6.554 -5.708 -1.221 1.00 0.00 C ATOM 257 O SER A 16 -5.354 -5.938 -1.169 1.00 0.00 O ATOM 258 CB SER A 16 -7.971 -7.369 0.055 1.00 0.00 C ATOM 259 OG SER A 16 -6.946 -8.347 -0.029 1.00 0.00 O ATOM 0 H SER A 16 -9.445 -5.389 -0.060 1.00 0.00 H new ATOM 0 HA SER A 16 -6.812 -5.778 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.527 -7.512 0.981 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.674 -7.516 -0.765 1.00 0.00 H new ATOM 0 HG SER A 16 -7.344 -9.242 0.008 1.00 0.00 H new ATOM 265 N HIS A 17 -7.150 -5.220 -2.303 1.00 0.00 N ATOM 266 CA HIS A 17 -6.407 -4.934 -3.524 1.00 0.00 C ATOM 267 C HIS A 17 -5.442 -3.789 -3.244 1.00 0.00 C ATOM 268 O HIS A 17 -4.257 -3.833 -3.608 1.00 0.00 O ATOM 269 CB HIS A 17 -7.376 -4.538 -4.664 1.00 0.00 C ATOM 270 CG HIS A 17 -6.754 -4.447 -6.037 1.00 0.00 C ATOM 271 ND1 HIS A 17 -6.585 -5.517 -6.884 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.276 -3.374 -6.700 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.024 -5.078 -8.012 1.00 0.00 C ATOM 274 NE2 HIS A 17 -5.811 -3.770 -7.955 1.00 0.00 N ATOM 0 H HIS A 17 -8.147 -5.014 -2.359 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.857 -5.822 -3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.187 -5.265 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.822 -3.574 -4.421 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.845 -6.483 -6.684 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.256 -2.364 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.777 -5.703 -8.857 1.00 0.00 H new ATOM 282 N LEU A 18 -5.963 -2.790 -2.583 1.00 0.00 N ATOM 283 CA LEU A 18 -5.204 -1.628 -2.191 1.00 0.00 C ATOM 284 C LEU A 18 -4.138 -2.007 -1.157 1.00 0.00 C ATOM 285 O LEU A 18 -3.011 -1.547 -1.232 1.00 0.00 O ATOM 286 CB LEU A 18 -6.152 -0.536 -1.674 1.00 0.00 C ATOM 287 CG LEU A 18 -6.888 0.319 -2.745 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.540 -0.495 -3.870 1.00 0.00 C ATOM 289 CD2 LEU A 18 -7.935 1.136 -2.093 1.00 0.00 C ATOM 0 H LEU A 18 -6.941 -2.758 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.679 -1.227 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.904 -1.010 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.579 0.138 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.117 0.936 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.030 0.181 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.776 -1.069 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.278 -1.176 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.450 1.735 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.652 0.481 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.476 1.795 -1.356 1.00 0.00 H new ATOM 301 N VAL A 19 -4.509 -2.882 -0.230 1.00 0.00 N ATOM 302 CA VAL A 19 -3.599 -3.443 0.787 1.00 0.00 C ATOM 303 C VAL A 19 -2.425 -4.177 0.107 1.00 0.00 C ATOM 304 O VAL A 19 -1.257 -3.966 0.447 1.00 0.00 O ATOM 305 CB VAL A 19 -4.351 -4.472 1.705 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.409 -5.213 2.577 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.382 -3.819 2.574 1.00 0.00 C ATOM 0 H VAL A 19 -5.464 -3.233 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.229 -2.613 1.390 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.848 -5.162 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.964 -5.916 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.695 -5.759 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.874 -4.510 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.872 -4.575 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.901 -3.083 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.124 -3.323 1.948 1.00 0.00 H new ATOM 317 N HIS A 20 -2.766 -5.044 -0.832 1.00 0.00 N ATOM 318 CA HIS A 20 -1.806 -5.816 -1.618 1.00 0.00 C ATOM 319 C HIS A 20 -0.807 -4.877 -2.294 1.00 0.00 C ATOM 320 O HIS A 20 0.411 -5.107 -2.274 1.00 0.00 O ATOM 321 CB HIS A 20 -2.594 -6.669 -2.644 1.00 0.00 C ATOM 322 CG HIS A 20 -1.797 -7.284 -3.750 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.084 -7.075 -5.073 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.720 -8.108 -3.722 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.205 -7.737 -5.804 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.341 -8.397 -5.032 1.00 0.00 N ATOM 0 H HIS A 20 -3.737 -5.238 -1.077 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.228 -6.484 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.103 -7.468 -2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.367 -6.041 -3.088 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.848 -6.504 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.236 -8.479 -2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.188 -7.743 -6.884 1.00 0.00 H new ATOM 334 N LYS A 21 -1.330 -3.818 -2.845 1.00 0.00 N ATOM 335 CA LYS A 21 -0.526 -2.809 -3.465 1.00 0.00 C ATOM 336 C LYS A 21 0.311 -2.049 -2.458 1.00 0.00 C ATOM 337 O LYS A 21 1.486 -1.777 -2.721 1.00 0.00 O ATOM 338 CB LYS A 21 -1.383 -1.909 -4.331 1.00 0.00 C ATOM 339 CG LYS A 21 -1.648 -2.546 -5.668 1.00 0.00 C ATOM 340 CD LYS A 21 -2.752 -1.886 -6.468 1.00 0.00 C ATOM 341 CE LYS A 21 -2.700 -2.437 -7.882 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.728 -1.903 -8.800 1.00 0.00 N ATOM 0 H LYS A 21 -2.332 -3.632 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 21 0.192 -3.298 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.328 -1.705 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.884 -0.951 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.729 -2.526 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.905 -3.594 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.723 -2.088 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.622 -0.804 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.716 -2.227 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.803 -3.521 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.404 -2.009 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.616 -2.428 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.888 -0.896 -8.594 1.00 0.00 H new ATOM 356 N LEU A 22 -0.286 -1.717 -1.302 1.00 0.00 N ATOM 357 CA LEU A 22 0.430 -1.065 -0.203 1.00 0.00 C ATOM 358 C LEU A 22 1.673 -1.838 0.131 1.00 0.00 C ATOM 359 O LEU A 22 2.749 -1.259 0.207 1.00 0.00 O ATOM 360 CB LEU A 22 -0.454 -0.916 1.045 1.00 0.00 C ATOM 361 CG LEU A 22 -1.516 0.181 1.006 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.435 0.073 2.208 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.845 1.521 1.042 1.00 0.00 C ATOM 0 H LEU A 22 -1.272 -1.893 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 22 0.704 -0.063 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.954 -1.868 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.195 -0.732 1.901 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.099 0.068 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.186 0.862 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.929 -0.899 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.851 0.178 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.600 2.307 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.261 1.611 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.185 1.621 0.180 1.00 0.00 H new ATOM 375 N VAL A 23 1.517 -3.153 0.273 1.00 0.00 N ATOM 376 CA VAL A 23 2.633 -4.056 0.507 1.00 0.00 C ATOM 377 C VAL A 23 3.669 -3.908 -0.581 1.00 0.00 C ATOM 378 O VAL A 23 4.788 -3.619 -0.284 1.00 0.00 O ATOM 379 CB VAL A 23 2.181 -5.542 0.555 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.370 -6.488 0.481 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.428 -5.813 1.815 1.00 0.00 C ATOM 0 H VAL A 23 0.611 -3.619 0.228 1.00 0.00 H new ATOM 0 HA VAL A 23 3.056 -3.786 1.475 1.00 0.00 H new ATOM 0 HB VAL A 23 1.539 -5.715 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.018 -7.519 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.910 -6.322 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.036 -6.302 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.117 -6.858 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.068 -5.608 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.548 -5.172 1.858 1.00 0.00 H new ATOM 391 N GLN A 24 3.268 -4.067 -1.839 1.00 0.00 N ATOM 392 CA GLN A 24 4.217 -4.011 -2.944 1.00 0.00 C ATOM 393 C GLN A 24 5.010 -2.703 -3.013 1.00 0.00 C ATOM 394 O GLN A 24 6.145 -2.692 -3.492 1.00 0.00 O ATOM 395 CB GLN A 24 3.580 -4.328 -4.281 1.00 0.00 C ATOM 396 CG GLN A 24 3.121 -5.762 -4.403 1.00 0.00 C ATOM 397 CD GLN A 24 2.939 -6.164 -5.838 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.603 -5.646 -6.730 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.084 -7.091 -6.078 1.00 0.00 N ATOM 0 H GLN A 24 2.301 -4.234 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 24 4.937 -4.799 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.727 -3.667 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.295 -4.115 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.850 -6.420 -3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.181 -5.891 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.548 -7.501 -5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.941 -7.418 -7.034 1.00 0.00 H new ATOM 408 N ALA A 25 4.421 -1.609 -2.556 1.00 0.00 N ATOM 409 CA ALA A 25 5.130 -0.350 -2.516 1.00 0.00 C ATOM 410 C ALA A 25 6.031 -0.238 -1.294 1.00 0.00 C ATOM 411 O ALA A 25 7.172 0.147 -1.411 1.00 0.00 O ATOM 412 CB ALA A 25 4.162 0.784 -2.501 1.00 0.00 C ATOM 0 H ALA A 25 3.462 -1.572 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 25 5.753 -0.308 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.707 1.727 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.547 0.749 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.523 0.706 -1.621 1.00 0.00 H new ATOM 418 N ILE A 26 5.508 -0.597 -0.131 1.00 0.00 N ATOM 419 CA ILE A 26 6.229 -0.425 1.138 1.00 0.00 C ATOM 420 C ILE A 26 7.302 -1.515 1.289 1.00 0.00 C ATOM 421 O ILE A 26 8.324 -1.339 1.964 1.00 0.00 O ATOM 422 CB ILE A 26 5.207 -0.416 2.340 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.822 0.101 3.668 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.585 -1.799 2.542 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.476 -0.956 4.529 1.00 0.00 C ATOM 0 H ILE A 26 4.582 -1.012 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 26 6.744 0.535 1.142 1.00 0.00 H new ATOM 0 HB ILE A 26 4.425 0.291 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.563 0.865 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.037 0.586 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.885 -1.765 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.056 -2.096 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.371 -2.523 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.874 -0.494 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.738 -1.711 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.288 -1.426 3.974 1.00 0.00 H new ATOM 437 N PHE A 27 7.049 -2.606 0.650 1.00 0.00 N ATOM 438 CA PHE A 27 7.904 -3.735 0.582 1.00 0.00 C ATOM 439 C PHE A 27 7.885 -4.273 -0.829 1.00 0.00 C ATOM 440 O PHE A 27 7.023 -5.094 -1.161 1.00 0.00 O ATOM 441 CB PHE A 27 7.462 -4.838 1.563 1.00 0.00 C ATOM 442 CG PHE A 27 8.028 -4.732 2.948 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.305 -5.187 3.211 1.00 0.00 C ATOM 444 CD2 PHE A 27 7.286 -4.203 3.987 1.00 0.00 C ATOM 445 CE1 PHE A 27 9.833 -5.115 4.480 1.00 0.00 C ATOM 446 CE2 PHE A 27 7.809 -4.129 5.264 1.00 0.00 C ATOM 447 CZ PHE A 27 9.085 -4.585 5.510 1.00 0.00 C ATOM 0 H PHE A 27 6.182 -2.738 0.128 1.00 0.00 H new ATOM 0 HA PHE A 27 8.912 -3.427 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.374 -4.825 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.744 -5.805 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.897 -5.605 2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.285 -3.843 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.834 -5.474 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.218 -3.714 6.067 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.498 -4.528 6.506 1.00 0.00 H new ATOM 457 N PRO A 28 8.768 -3.760 -1.718 1.00 0.00 N ATOM 458 CA PRO A 28 8.859 -4.259 -3.080 1.00 0.00 C ATOM 459 C PRO A 28 9.144 -5.746 -3.048 1.00 0.00 C ATOM 460 O PRO A 28 10.228 -6.168 -2.667 1.00 0.00 O ATOM 461 CB PRO A 28 10.040 -3.480 -3.696 1.00 0.00 C ATOM 462 CG PRO A 28 10.744 -2.848 -2.541 1.00 0.00 C ATOM 463 CD PRO A 28 9.710 -2.656 -1.473 1.00 0.00 C ATOM 0 HA PRO A 28 7.943 -4.122 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.706 -4.146 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.689 -2.727 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.556 -3.482 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.187 -1.895 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.146 -2.712 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.222 -1.685 -1.554 1.00 0.00 H new ATOM 471 N THR A 29 8.150 -6.529 -3.361 1.00 0.00 N ATOM 472 CA THR A 29 8.267 -7.942 -3.248 1.00 0.00 C ATOM 473 C THR A 29 9.281 -8.497 -4.259 1.00 0.00 C ATOM 474 O THR A 29 9.262 -8.145 -5.440 1.00 0.00 O ATOM 475 CB THR A 29 6.885 -8.653 -3.348 1.00 0.00 C ATOM 476 OG1 THR A 29 7.008 -10.024 -2.967 1.00 0.00 O ATOM 477 CG2 THR A 29 6.292 -8.568 -4.751 1.00 0.00 C ATOM 0 H THR A 29 7.245 -6.202 -3.699 1.00 0.00 H new ATOM 0 HA THR A 29 8.651 -8.160 -2.252 1.00 0.00 H new ATOM 0 HB THR A 29 6.209 -8.135 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.065 -10.583 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.329 -9.078 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.154 -7.522 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.969 -9.043 -5.461 1.00 0.00 H new ATOM 485 N PRO A 30 10.216 -9.318 -3.787 1.00 0.00 N ATOM 486 CA PRO A 30 11.245 -9.908 -4.638 1.00 0.00 C ATOM 487 C PRO A 30 10.669 -10.983 -5.558 1.00 0.00 C ATOM 488 O PRO A 30 11.125 -11.171 -6.688 1.00 0.00 O ATOM 489 CB PRO A 30 12.207 -10.540 -3.629 1.00 0.00 C ATOM 490 CG PRO A 30 11.373 -10.814 -2.423 1.00 0.00 C ATOM 491 CD PRO A 30 10.363 -9.717 -2.367 1.00 0.00 C ATOM 0 HA PRO A 30 11.711 -9.175 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.646 -11.457 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.032 -9.867 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.889 -11.788 -2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.984 -10.829 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.418 -10.061 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.704 -8.887 -1.749 1.00 0.00 H new ATOM 499 N ASP A 31 9.649 -11.654 -5.070 1.00 0.00 N ATOM 500 CA ASP A 31 9.020 -12.754 -5.761 1.00 0.00 C ATOM 501 C ASP A 31 7.563 -12.698 -5.454 1.00 0.00 C ATOM 502 O ASP A 31 7.192 -12.277 -4.368 1.00 0.00 O ATOM 503 CB ASP A 31 9.571 -14.116 -5.274 1.00 0.00 C ATOM 504 CG ASP A 31 11.010 -14.366 -5.649 1.00 0.00 C ATOM 505 OD1 ASP A 31 11.261 -14.831 -6.780 1.00 0.00 O ATOM 506 OD2 ASP A 31 11.920 -14.113 -4.814 1.00 0.00 O ATOM 0 H ASP A 31 9.227 -11.445 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 31 9.219 -12.668 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.475 -14.168 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.955 -14.914 -5.688 1.00 0.00 H new ATOM 511 N PRO A 32 6.690 -13.112 -6.364 1.00 0.00 N ATOM 512 CA PRO A 32 5.257 -13.101 -6.106 1.00 0.00 C ATOM 513 C PRO A 32 4.847 -14.141 -5.055 1.00 0.00 C ATOM 514 O PRO A 32 3.750 -14.102 -4.515 1.00 0.00 O ATOM 515 CB PRO A 32 4.621 -13.395 -7.461 1.00 0.00 C ATOM 516 CG PRO A 32 5.687 -14.075 -8.255 1.00 0.00 C ATOM 517 CD PRO A 32 7.010 -13.586 -7.728 1.00 0.00 C ATOM 0 HA PRO A 32 4.931 -12.147 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.743 -14.032 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.292 -12.478 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.609 -15.158 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.585 -13.843 -9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.754 -14.383 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.416 -12.785 -8.346 1.00 0.00 H new ATOM 525 N ALA A 33 5.747 -15.046 -4.741 1.00 0.00 N ATOM 526 CA ALA A 33 5.469 -16.035 -3.728 1.00 0.00 C ATOM 527 C ALA A 33 5.773 -15.477 -2.343 1.00 0.00 C ATOM 528 O ALA A 33 5.305 -15.993 -1.340 1.00 0.00 O ATOM 529 CB ALA A 33 6.209 -17.328 -3.990 1.00 0.00 C ATOM 0 H ALA A 33 6.670 -15.117 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 33 4.406 -16.272 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.974 -18.047 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.905 -17.732 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.282 -17.138 -3.998 1.00 0.00 H new ATOM 535 N ALA A 34 6.495 -14.359 -2.294 1.00 0.00 N ATOM 536 CA ALA A 34 6.767 -13.698 -1.022 1.00 0.00 C ATOM 537 C ALA A 34 5.494 -13.028 -0.529 1.00 0.00 C ATOM 538 O ALA A 34 5.373 -12.639 0.628 1.00 0.00 O ATOM 539 CB ALA A 34 7.902 -12.695 -1.158 1.00 0.00 C ATOM 0 H ALA A 34 6.897 -13.898 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 34 7.085 -14.441 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.083 -12.218 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.806 -13.210 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.632 -11.937 -1.894 1.00 0.00 H new ATOM 545 N LEU A 35 4.519 -12.978 -1.424 1.00 0.00 N ATOM 546 CA LEU A 35 3.230 -12.403 -1.162 1.00 0.00 C ATOM 547 C LEU A 35 2.294 -13.448 -0.543 1.00 0.00 C ATOM 548 O LEU A 35 1.080 -13.241 -0.444 1.00 0.00 O ATOM 549 CB LEU A 35 2.630 -11.909 -2.455 1.00 0.00 C ATOM 550 CG LEU A 35 3.497 -10.967 -3.268 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.945 -10.836 -4.661 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.576 -9.616 -2.595 1.00 0.00 C ATOM 0 H LEU A 35 4.615 -13.347 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 35 3.351 -11.575 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.386 -12.773 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.691 -11.404 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 35 4.505 -11.376 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.573 -10.158 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.931 -11.815 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.930 -10.440 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.201 -8.950 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.575 -9.193 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.009 -9.729 -1.601 1.00 0.00 H new ATOM 564 N LYS A 36 2.820 -14.608 -0.257 1.00 0.00 N ATOM 565 CA LYS A 36 2.063 -15.616 0.458 1.00 0.00 C ATOM 566 C LYS A 36 2.905 -16.282 1.552 1.00 0.00 C ATOM 567 O LYS A 36 2.467 -17.225 2.208 1.00 0.00 O ATOM 568 CB LYS A 36 1.446 -16.606 -0.522 1.00 0.00 C ATOM 569 CG LYS A 36 2.442 -17.120 -1.522 1.00 0.00 C ATOM 570 CD LYS A 36 1.791 -17.878 -2.671 1.00 0.00 C ATOM 571 CE LYS A 36 0.910 -16.967 -3.526 1.00 0.00 C ATOM 572 NZ LYS A 36 0.264 -17.692 -4.633 1.00 0.00 N ATOM 0 H LYS A 36 3.770 -14.885 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 36 1.237 -15.134 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.025 -17.445 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.622 -16.125 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.012 -16.282 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.151 -17.775 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.564 -18.326 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.190 -18.695 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.145 -16.511 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.515 -16.155 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.322 -17.033 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.993 -18.105 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.335 -18.450 -4.249 1.00 0.00 H new ATOM 586 N ASP A 37 4.095 -15.750 1.751 1.00 0.00 N ATOM 587 CA ASP A 37 5.082 -16.295 2.701 1.00 0.00 C ATOM 588 C ASP A 37 4.749 -15.824 4.117 1.00 0.00 C ATOM 589 O ASP A 37 3.829 -15.043 4.313 1.00 0.00 O ATOM 590 CB ASP A 37 6.466 -15.757 2.310 1.00 0.00 C ATOM 591 CG ASP A 37 7.627 -16.280 3.117 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.052 -17.431 2.918 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.122 -15.538 3.971 1.00 0.00 O ATOM 0 H ASP A 37 4.420 -14.918 1.259 1.00 0.00 H new ATOM 0 HA ASP A 37 5.067 -17.385 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.643 -15.992 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.450 -14.670 2.395 1.00 0.00 H new ATOM 598 N ARG A 38 5.509 -16.265 5.092 1.00 0.00 N ATOM 599 CA ARG A 38 5.346 -15.803 6.455 1.00 0.00 C ATOM 600 C ARG A 38 5.815 -14.355 6.588 1.00 0.00 C ATOM 601 O ARG A 38 5.476 -13.653 7.540 1.00 0.00 O ATOM 602 CB ARG A 38 6.059 -16.708 7.449 1.00 0.00 C ATOM 603 CG ARG A 38 7.596 -16.622 7.536 1.00 0.00 C ATOM 604 CD ARG A 38 8.276 -17.292 6.364 1.00 0.00 C ATOM 605 NE ARG A 38 9.738 -17.317 6.504 1.00 0.00 N ATOM 606 CZ ARG A 38 10.603 -17.820 5.607 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.209 -18.114 4.371 1.00 0.00 N ATOM 608 NH2 ARG A 38 11.886 -17.919 5.921 1.00 0.00 N ATOM 0 H ARG A 38 6.254 -16.950 4.967 1.00 0.00 H new ATOM 0 HA ARG A 38 4.284 -15.844 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.657 -16.497 8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.796 -17.738 7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.897 -15.575 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.932 -17.088 8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.906 -18.313 6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.011 -16.768 5.446 1.00 0.00 H new ATOM 0 HE ARG A 38 10.131 -16.918 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.240 -17.958 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.876 -18.495 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.211 -17.614 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.548 -18.300 5.245 1.00 0.00 H new ATOM 622 N ARG A 39 6.618 -13.919 5.633 1.00 0.00 N ATOM 623 CA ARG A 39 7.025 -12.545 5.566 1.00 0.00 C ATOM 624 C ARG A 39 5.825 -11.707 5.165 1.00 0.00 C ATOM 625 O ARG A 39 5.670 -10.569 5.634 1.00 0.00 O ATOM 626 CB ARG A 39 8.148 -12.367 4.551 1.00 0.00 C ATOM 627 CG ARG A 39 8.819 -10.994 4.563 1.00 0.00 C ATOM 628 CD ARG A 39 9.402 -10.656 5.940 1.00 0.00 C ATOM 629 NE ARG A 39 10.249 -11.735 6.469 1.00 0.00 N ATOM 630 CZ ARG A 39 10.842 -11.737 7.667 1.00 0.00 C ATOM 631 NH1 ARG A 39 10.850 -10.635 8.418 1.00 0.00 N ATOM 632 NH2 ARG A 39 11.455 -12.841 8.094 1.00 0.00 N ATOM 0 H ARG A 39 6.998 -14.509 4.893 1.00 0.00 H new ATOM 0 HA ARG A 39 7.397 -12.227 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.907 -13.127 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.748 -12.550 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.613 -10.971 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.093 -10.232 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.988 -9.740 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.588 -10.461 6.638 1.00 0.00 H new ATOM 0 HE ARG A 39 10.396 -12.549 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.402 -9.784 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.304 -10.643 9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.469 -13.676 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.910 -12.851 9.007 1.00 0.00 H new ATOM 646 N MET A 40 4.928 -12.308 4.347 1.00 0.00 N ATOM 647 CA MET A 40 3.752 -11.645 3.872 1.00 0.00 C ATOM 648 C MET A 40 2.929 -11.189 5.012 1.00 0.00 C ATOM 649 O MET A 40 2.484 -10.076 4.993 1.00 0.00 O ATOM 650 CB MET A 40 2.887 -12.536 2.951 1.00 0.00 C ATOM 651 CG MET A 40 1.506 -11.942 2.610 1.00 0.00 C ATOM 652 SD MET A 40 1.453 -10.840 1.158 1.00 0.00 S ATOM 653 CE MET A 40 2.967 -9.942 1.267 1.00 0.00 C ATOM 0 H MET A 40 5.025 -13.267 4.014 1.00 0.00 H new ATOM 0 HA MET A 40 4.094 -10.795 3.282 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.431 -12.716 2.024 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.745 -13.504 3.431 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.809 -12.763 2.445 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.146 -11.388 3.477 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.096 -9.335 0.371 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.943 -9.294 2.143 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.799 -10.641 1.355 1.00 0.00 H new ATOM 663 N GLU A 41 2.807 -12.024 6.056 1.00 0.00 N ATOM 664 CA GLU A 41 1.929 -11.683 7.168 1.00 0.00 C ATOM 665 C GLU A 41 2.371 -10.371 7.827 1.00 0.00 C ATOM 666 O GLU A 41 1.548 -9.588 8.237 1.00 0.00 O ATOM 667 CB GLU A 41 1.825 -12.796 8.214 1.00 0.00 C ATOM 668 CG GLU A 41 2.970 -12.848 9.191 1.00 0.00 C ATOM 669 CD GLU A 41 2.770 -13.880 10.244 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.057 -13.595 11.243 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.316 -14.975 10.130 1.00 0.00 O ATOM 0 H GLU A 41 3.294 -12.915 6.147 1.00 0.00 H new ATOM 0 HA GLU A 41 0.933 -11.555 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.896 -12.668 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.760 -13.755 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.894 -13.057 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.088 -11.872 9.661 1.00 0.00 H new ATOM 678 N ASN A 42 3.675 -10.124 7.856 1.00 0.00 N ATOM 679 CA ASN A 42 4.212 -8.907 8.450 1.00 0.00 C ATOM 680 C ASN A 42 3.937 -7.727 7.544 1.00 0.00 C ATOM 681 O ASN A 42 3.467 -6.664 7.989 1.00 0.00 O ATOM 682 CB ASN A 42 5.728 -9.047 8.703 1.00 0.00 C ATOM 683 CG ASN A 42 6.386 -7.747 9.168 1.00 0.00 C ATOM 684 OD1 ASN A 42 6.936 -6.994 8.236 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.426 -7.447 10.364 1.00 0.00 N flip ATOM 0 H ASN A 42 4.381 -10.753 7.474 1.00 0.00 H new ATOM 0 HA ASN A 42 3.721 -8.741 9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.894 -9.819 9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.213 -9.384 7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.989 -8.055 11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.896 -6.591 10.660 1.00 0.00 H new ATOM 692 N LEU A 43 4.178 -7.938 6.261 1.00 0.00 N ATOM 693 CA LEU A 43 4.024 -6.880 5.273 1.00 0.00 C ATOM 694 C LEU A 43 2.548 -6.483 5.184 1.00 0.00 C ATOM 695 O LEU A 43 2.198 -5.297 5.210 1.00 0.00 O ATOM 696 CB LEU A 43 4.523 -7.335 3.888 1.00 0.00 C ATOM 697 CG LEU A 43 5.802 -8.199 3.830 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.216 -8.470 2.394 1.00 0.00 C ATOM 699 CD2 LEU A 43 6.942 -7.581 4.607 1.00 0.00 C ATOM 0 H LEU A 43 4.482 -8.833 5.877 1.00 0.00 H new ATOM 0 HA LEU A 43 4.623 -6.025 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.719 -7.895 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.694 -6.444 3.284 1.00 0.00 H new ATOM 0 HG LEU A 43 5.563 -9.151 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.119 -9.080 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.415 -8.999 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.411 -7.525 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.820 -8.223 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.176 -6.601 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.653 -7.473 5.652 1.00 0.00 H new ATOM 711 N VAL A 44 1.682 -7.489 5.123 1.00 0.00 N ATOM 712 CA VAL A 44 0.259 -7.265 5.063 1.00 0.00 C ATOM 713 C VAL A 44 -0.261 -6.720 6.364 1.00 0.00 C ATOM 714 O VAL A 44 -1.172 -5.957 6.353 1.00 0.00 O ATOM 715 CB VAL A 44 -0.584 -8.503 4.606 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.278 -8.888 3.198 1.00 0.00 C ATOM 717 CG2 VAL A 44 -0.457 -9.684 5.543 1.00 0.00 C ATOM 0 H VAL A 44 1.953 -8.472 5.114 1.00 0.00 H new ATOM 0 HA VAL A 44 0.128 -6.520 4.278 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.627 -8.190 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.882 -9.751 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.506 -8.054 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.779 -9.142 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.064 -10.510 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.586 -9.996 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.801 -9.398 6.537 1.00 0.00 H new ATOM 727 N ALA A 45 0.356 -7.095 7.480 1.00 0.00 N ATOM 728 CA ALA A 45 -0.044 -6.580 8.790 1.00 0.00 C ATOM 729 C ALA A 45 0.071 -5.059 8.797 1.00 0.00 C ATOM 730 O ALA A 45 -0.853 -4.365 9.245 1.00 0.00 O ATOM 731 CB ALA A 45 0.798 -7.194 9.908 1.00 0.00 C ATOM 0 H ALA A 45 1.135 -7.753 7.506 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.081 -6.861 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.477 -6.791 10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.670 -8.276 9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.849 -6.953 9.747 1.00 0.00 H new ATOM 737 N TYR A 46 1.193 -4.548 8.266 1.00 0.00 N ATOM 738 CA TYR A 46 1.376 -3.093 8.090 1.00 0.00 C ATOM 739 C TYR A 46 0.345 -2.544 7.119 1.00 0.00 C ATOM 740 O TYR A 46 -0.295 -1.538 7.390 1.00 0.00 O ATOM 741 CB TYR A 46 2.818 -2.735 7.586 1.00 0.00 C ATOM 742 CG TYR A 46 2.926 -1.338 6.919 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.645 -1.178 5.557 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.253 -0.197 7.641 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.686 0.054 4.948 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.288 1.047 7.022 1.00 0.00 C ATOM 747 CZ TYR A 46 3.004 1.161 5.680 1.00 0.00 C ATOM 748 OH TYR A 46 3.029 2.402 5.072 1.00 0.00 O ATOM 0 H TYR A 46 1.983 -5.113 7.953 1.00 0.00 H new ATOM 0 HA TYR A 46 1.241 -2.633 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.507 -2.778 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.141 -3.493 6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.389 -2.046 4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.482 -0.277 8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.467 0.145 3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.539 1.927 7.596 1.00 0.00 H new ATOM 0 HH TYR A 46 3.276 2.299 4.129 1.00 0.00 H new ATOM 758 N ALA A 47 0.202 -3.192 5.995 1.00 0.00 N ATOM 759 CA ALA A 47 -0.699 -2.721 4.971 1.00 0.00 C ATOM 760 C ALA A 47 -2.124 -2.623 5.495 1.00 0.00 C ATOM 761 O ALA A 47 -2.788 -1.648 5.272 1.00 0.00 O ATOM 762 CB ALA A 47 -0.611 -3.599 3.757 1.00 0.00 C ATOM 0 H ALA A 47 0.699 -4.052 5.762 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.398 -1.715 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.296 -3.232 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.408 -3.583 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.881 -4.620 4.026 1.00 0.00 H new ATOM 768 N LYS A 48 -2.532 -3.615 6.253 1.00 0.00 N ATOM 769 CA LYS A 48 -3.853 -3.680 6.862 1.00 0.00 C ATOM 770 C LYS A 48 -4.026 -2.622 7.945 1.00 0.00 C ATOM 771 O LYS A 48 -5.085 -2.010 8.055 1.00 0.00 O ATOM 772 CB LYS A 48 -4.056 -5.049 7.479 1.00 0.00 C ATOM 773 CG LYS A 48 -4.122 -6.195 6.470 1.00 0.00 C ATOM 774 CD LYS A 48 -4.071 -7.533 7.180 1.00 0.00 C ATOM 775 CE LYS A 48 -4.214 -8.713 6.223 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.530 -8.757 5.527 1.00 0.00 N ATOM 0 H LYS A 48 -1.946 -4.420 6.472 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.590 -3.496 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.242 -5.243 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.979 -5.039 8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.040 -6.121 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.292 -6.117 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.127 -7.619 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.866 -7.575 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.419 -8.665 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.075 -9.640 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.607 -9.642 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.296 -8.713 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.607 -7.947 4.879 1.00 0.00 H new ATOM 790 N LYS A 49 -2.996 -2.413 8.757 1.00 0.00 N ATOM 791 CA LYS A 49 -3.084 -1.439 9.844 1.00 0.00 C ATOM 792 C LYS A 49 -3.194 -0.026 9.259 1.00 0.00 C ATOM 793 O LYS A 49 -3.987 0.797 9.705 1.00 0.00 O ATOM 794 CB LYS A 49 -1.881 -1.573 10.832 1.00 0.00 C ATOM 795 CG LYS A 49 -0.551 -1.201 10.295 1.00 0.00 C ATOM 796 CD LYS A 49 0.547 -1.400 11.333 1.00 0.00 C ATOM 797 CE LYS A 49 1.850 -0.737 10.905 1.00 0.00 C ATOM 798 NZ LYS A 49 2.934 -0.945 11.892 1.00 0.00 N ATOM 0 H LYS A 49 -2.101 -2.897 8.687 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.982 -1.640 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.084 -0.953 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.835 -2.606 11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.332 -1.803 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.565 -0.159 9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.224 -0.986 12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.714 -2.466 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.159 -1.137 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.684 0.332 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.801 -0.477 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.652 -0.541 12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.112 -1.964 12.003 1.00 0.00 H new ATOM 812 N VAL A 50 -2.446 0.194 8.203 1.00 0.00 N ATOM 813 CA VAL A 50 -2.424 1.449 7.506 1.00 0.00 C ATOM 814 C VAL A 50 -3.706 1.659 6.713 1.00 0.00 C ATOM 815 O VAL A 50 -4.314 2.725 6.791 1.00 0.00 O ATOM 816 CB VAL A 50 -1.156 1.542 6.617 1.00 0.00 C ATOM 817 CG1 VAL A 50 -1.218 2.690 5.634 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.047 1.709 7.511 1.00 0.00 C ATOM 0 H VAL A 50 -1.827 -0.510 7.801 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.376 2.258 8.234 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.087 0.625 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.306 2.708 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.078 2.561 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.315 3.630 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.948 1.776 6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.061 2.620 8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.125 0.852 8.180 1.00 0.00 H new ATOM 828 N GLU A 51 -4.128 0.629 5.996 1.00 0.00 N ATOM 829 CA GLU A 51 -5.360 0.654 5.224 1.00 0.00 C ATOM 830 C GLU A 51 -6.518 0.956 6.159 1.00 0.00 C ATOM 831 O GLU A 51 -7.297 1.857 5.898 1.00 0.00 O ATOM 832 CB GLU A 51 -5.521 -0.696 4.489 1.00 0.00 C ATOM 833 CG GLU A 51 -6.727 -0.863 3.559 1.00 0.00 C ATOM 834 CD GLU A 51 -8.042 -1.178 4.303 1.00 0.00 C ATOM 835 OE1 GLU A 51 -8.002 -1.814 5.374 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.123 -0.869 3.798 1.00 0.00 O ATOM 0 H GLU A 51 -3.621 -0.254 5.933 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.338 1.436 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.619 -0.867 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.566 -1.484 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.857 0.051 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.520 -1.664 2.849 1.00 0.00 H new ATOM 843 N GLY A 52 -6.559 0.249 7.286 1.00 0.00 N ATOM 844 CA GLY A 52 -7.584 0.450 8.290 1.00 0.00 C ATOM 845 C GLY A 52 -7.586 1.860 8.839 1.00 0.00 C ATOM 846 O GLY A 52 -8.644 2.448 9.050 1.00 0.00 O ATOM 0 H GLY A 52 -5.881 -0.476 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.560 0.230 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.431 -0.255 9.107 1.00 0.00 H new ATOM 850 N ASP A 53 -6.404 2.401 9.033 1.00 0.00 N ATOM 851 CA ASP A 53 -6.206 3.765 9.527 1.00 0.00 C ATOM 852 C ASP A 53 -6.857 4.772 8.599 1.00 0.00 C ATOM 853 O ASP A 53 -7.698 5.552 9.021 1.00 0.00 O ATOM 854 CB ASP A 53 -4.717 4.029 9.643 1.00 0.00 C ATOM 855 CG ASP A 53 -4.366 5.360 10.246 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.611 5.557 11.452 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.811 6.223 9.533 1.00 0.00 O ATOM 0 H ASP A 53 -5.531 1.905 8.852 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.674 3.870 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.267 3.241 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.271 3.965 8.651 1.00 0.00 H new ATOM 862 N MET A 54 -6.509 4.713 7.334 1.00 0.00 N ATOM 863 CA MET A 54 -7.100 5.610 6.320 1.00 0.00 C ATOM 864 C MET A 54 -8.551 5.291 6.040 1.00 0.00 C ATOM 865 O MET A 54 -9.322 6.178 5.707 1.00 0.00 O ATOM 866 CB MET A 54 -6.274 5.666 5.018 1.00 0.00 C ATOM 867 CG MET A 54 -5.687 4.370 4.568 1.00 0.00 C ATOM 868 SD MET A 54 -3.957 4.580 4.051 1.00 0.00 S ATOM 869 CE MET A 54 -3.246 5.468 5.452 1.00 0.00 C ATOM 0 H MET A 54 -5.820 4.058 6.965 1.00 0.00 H new ATOM 0 HA MET A 54 -7.069 6.608 6.757 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.911 6.051 4.222 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.464 6.383 5.154 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.742 3.642 5.377 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.272 3.971 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.158 5.427 5.394 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.572 6.508 5.427 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.578 5.006 6.382 1.00 0.00 H new ATOM 879 N TYR A 55 -8.926 4.048 6.216 1.00 0.00 N ATOM 880 CA TYR A 55 -10.274 3.604 6.020 1.00 0.00 C ATOM 881 C TYR A 55 -11.150 4.266 7.087 1.00 0.00 C ATOM 882 O TYR A 55 -12.150 4.860 6.787 1.00 0.00 O ATOM 883 CB TYR A 55 -10.275 2.090 6.173 1.00 0.00 C ATOM 884 CG TYR A 55 -11.508 1.371 5.755 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.681 0.989 4.442 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.464 1.027 6.672 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.777 0.278 4.049 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.587 0.318 6.293 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.729 -0.057 4.971 1.00 0.00 C ATOM 890 OH TYR A 55 -14.819 -0.784 4.573 1.00 0.00 O ATOM 0 H TYR A 55 -8.287 3.307 6.505 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.661 3.870 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.439 1.691 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.084 1.855 7.220 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.934 1.258 3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -12.339 1.314 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.892 -0.018 3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -14.343 0.060 7.020 1.00 0.00 H new ATOM 0 HH TYR A 55 -14.940 -1.548 5.175 1.00 0.00 H new ATOM 900 N GLU A 56 -10.702 4.220 8.331 1.00 0.00 N ATOM 901 CA GLU A 56 -11.452 4.837 9.426 1.00 0.00 C ATOM 902 C GLU A 56 -11.349 6.360 9.381 1.00 0.00 C ATOM 903 O GLU A 56 -12.225 7.067 9.853 1.00 0.00 O ATOM 904 CB GLU A 56 -10.986 4.330 10.786 1.00 0.00 C ATOM 905 CG GLU A 56 -11.193 2.845 11.004 1.00 0.00 C ATOM 906 CD GLU A 56 -10.894 2.434 12.428 1.00 0.00 C ATOM 907 OE1 GLU A 56 -9.701 2.404 12.811 1.00 0.00 O ATOM 908 OE2 GLU A 56 -11.842 2.123 13.188 1.00 0.00 O ATOM 0 H GLU A 56 -9.832 3.768 8.612 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.495 4.551 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.926 4.558 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.516 4.877 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.222 2.583 10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.551 2.286 10.323 1.00 0.00 H new ATOM 915 N SER A 57 -10.289 6.834 8.815 1.00 0.00 N ATOM 916 CA SER A 57 -10.022 8.250 8.682 1.00 0.00 C ATOM 917 C SER A 57 -10.858 8.927 7.575 1.00 0.00 C ATOM 918 O SER A 57 -11.251 10.104 7.697 1.00 0.00 O ATOM 919 CB SER A 57 -8.529 8.434 8.459 1.00 0.00 C ATOM 920 OG SER A 57 -7.813 8.225 9.661 1.00 0.00 O ATOM 0 H SER A 57 -9.559 6.242 8.418 1.00 0.00 H new ATOM 0 HA SER A 57 -10.327 8.749 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.182 7.736 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.334 9.439 8.084 1.00 0.00 H new ATOM 0 HG SER A 57 -7.595 7.274 9.751 1.00 0.00 H new ATOM 926 N ALA A 58 -11.142 8.202 6.528 1.00 0.00 N ATOM 927 CA ALA A 58 -11.895 8.738 5.416 1.00 0.00 C ATOM 928 C ALA A 58 -13.386 8.708 5.667 1.00 0.00 C ATOM 929 O ALA A 58 -13.860 8.127 6.639 1.00 0.00 O ATOM 930 CB ALA A 58 -11.593 7.982 4.178 1.00 0.00 C ATOM 0 H ALA A 58 -10.862 7.228 6.417 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.593 9.779 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.167 8.397 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.529 8.058 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.861 6.935 4.317 1.00 0.00 H new ATOM 936 N ASN A 59 -14.114 9.349 4.799 1.00 0.00 N ATOM 937 CA ASN A 59 -15.559 9.426 4.908 1.00 0.00 C ATOM 938 C ASN A 59 -16.213 8.823 3.686 1.00 0.00 C ATOM 939 O ASN A 59 -17.407 8.988 3.458 1.00 0.00 O ATOM 940 CB ASN A 59 -16.002 10.872 5.083 1.00 0.00 C ATOM 941 CG ASN A 59 -15.296 11.578 6.226 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.779 11.609 7.358 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.120 12.091 5.964 1.00 0.00 N ATOM 0 H ASN A 59 -13.730 9.837 3.990 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.869 8.858 5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.816 11.417 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.078 10.897 5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.578 12.531 6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.746 12.050 5.016 1.00 0.00 H new ATOM 950 N SER A 60 -15.426 8.125 2.916 1.00 0.00 N ATOM 951 CA SER A 60 -15.877 7.378 1.776 1.00 0.00 C ATOM 952 C SER A 60 -14.753 6.486 1.379 1.00 0.00 C ATOM 953 O SER A 60 -13.589 6.806 1.668 1.00 0.00 O ATOM 954 CB SER A 60 -16.250 8.295 0.600 1.00 0.00 C ATOM 955 OG SER A 60 -15.161 9.116 0.221 1.00 0.00 O ATOM 0 H SER A 60 -14.420 8.058 3.070 1.00 0.00 H new ATOM 0 HA SER A 60 -16.774 6.816 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.565 7.690 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.099 8.919 0.878 1.00 0.00 H new ATOM 0 HG SER A 60 -15.427 9.687 -0.530 1.00 0.00 H new ATOM 961 N ARG A 61 -15.052 5.354 0.757 1.00 0.00 N ATOM 962 CA ARG A 61 -13.957 4.518 0.269 1.00 0.00 C ATOM 963 C ARG A 61 -13.184 5.247 -0.821 1.00 0.00 C ATOM 964 O ARG A 61 -12.013 5.033 -1.000 1.00 0.00 O ATOM 965 CB ARG A 61 -14.344 3.102 -0.236 1.00 0.00 C ATOM 966 CG ARG A 61 -15.288 3.007 -1.428 1.00 0.00 C ATOM 967 CD ARG A 61 -16.604 3.655 -1.196 1.00 0.00 C ATOM 968 NE ARG A 61 -17.548 3.287 -2.265 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.537 4.054 -2.767 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.809 5.243 -2.252 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.279 3.588 -3.757 1.00 0.00 N ATOM 0 H ARG A 61 -15.994 5.003 0.583 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.344 4.345 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.425 2.575 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.798 2.562 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.813 3.467 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.447 1.957 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.002 3.350 -0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.484 4.738 -1.164 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.443 2.356 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.267 5.593 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.561 5.809 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.101 2.657 -4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.030 4.160 -4.144 1.00 0.00 H new ATOM 985 N ASP A 62 -13.877 6.137 -1.510 1.00 0.00 N ATOM 986 CA ASP A 62 -13.310 6.931 -2.592 1.00 0.00 C ATOM 987 C ASP A 62 -12.201 7.831 -2.047 1.00 0.00 C ATOM 988 O ASP A 62 -11.087 7.846 -2.572 1.00 0.00 O ATOM 989 CB ASP A 62 -14.425 7.765 -3.221 1.00 0.00 C ATOM 990 CG ASP A 62 -13.970 8.621 -4.376 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.976 8.136 -5.517 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.648 9.800 -4.161 1.00 0.00 O ATOM 0 H ASP A 62 -14.862 6.333 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.876 6.280 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.215 7.097 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.861 8.407 -2.456 1.00 0.00 H new ATOM 997 N GLU A 63 -12.503 8.513 -0.943 1.00 0.00 N ATOM 998 CA GLU A 63 -11.539 9.364 -0.254 1.00 0.00 C ATOM 999 C GLU A 63 -10.389 8.546 0.320 1.00 0.00 C ATOM 1000 O GLU A 63 -9.217 8.908 0.156 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.245 10.175 0.850 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.321 10.858 1.856 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.062 11.786 2.784 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.691 11.316 3.723 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.054 13.012 2.571 1.00 0.00 O ATOM 0 H GLU A 63 -13.423 8.490 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.114 10.058 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.865 10.937 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.916 9.509 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.804 10.099 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.557 11.420 1.319 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.721 7.422 0.944 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.721 6.592 1.586 1.00 0.00 C ATOM 1014 C TYR A 64 -8.760 6.018 0.555 1.00 0.00 C ATOM 1015 O TYR A 64 -7.546 6.089 0.728 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.400 5.521 2.495 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.090 4.086 2.221 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -10.858 3.364 1.344 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -9.035 3.460 2.833 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -10.591 2.067 1.071 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -8.758 2.153 2.574 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.539 1.460 1.686 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.263 0.169 1.416 1.00 0.00 O ATOM 0 H TYR A 64 -11.675 7.069 1.017 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.109 7.200 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.124 5.733 3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.479 5.652 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.696 3.843 0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.417 4.010 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.206 1.518 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.929 1.665 3.065 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.013 -0.292 2.244 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.317 5.517 -0.538 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.551 5.009 -1.642 1.00 0.00 C ATOM 1035 C TYR A 65 -7.693 6.115 -2.240 1.00 0.00 C ATOM 1036 O TYR A 65 -6.527 5.905 -2.483 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.506 4.329 -2.663 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.025 4.154 -4.090 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.722 3.777 -4.418 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -9.907 4.384 -5.117 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.337 3.645 -5.737 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.533 4.256 -6.417 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.255 3.892 -6.731 1.00 0.00 C ATOM 1044 OH TYR A 65 -7.897 3.780 -8.047 1.00 0.00 O ATOM 0 H TYR A 65 -10.326 5.456 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.854 4.241 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.760 3.343 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.429 4.908 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.007 3.586 -3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.922 4.673 -4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.328 3.351 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.249 4.443 -7.204 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.419 4.589 -8.326 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.255 7.305 -2.379 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.536 8.441 -2.951 1.00 0.00 C ATOM 1056 C HIS A 66 -6.292 8.807 -2.129 1.00 0.00 C ATOM 1057 O HIS A 66 -5.196 8.874 -2.668 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.470 9.665 -3.100 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.816 10.908 -3.648 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.571 12.042 -2.901 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.364 11.177 -4.895 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -6.993 12.945 -3.697 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.840 12.468 -4.926 1.00 0.00 N ATOM 0 H HIS A 66 -9.214 7.514 -2.102 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.195 8.140 -3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.299 9.392 -3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.896 9.898 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.403 10.498 -5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.690 13.933 -3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.426 12.946 -5.726 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.465 9.007 -0.834 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.364 9.452 0.018 1.00 0.00 C ATOM 1073 C LEU A 67 -4.325 8.334 0.250 1.00 0.00 C ATOM 1074 O LEU A 67 -3.089 8.590 0.319 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.914 10.086 1.335 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.689 9.180 2.311 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.757 8.425 3.213 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.682 9.960 3.141 1.00 0.00 C ATOM 0 H LEU A 67 -7.351 8.871 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.817 10.239 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.070 10.513 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.567 10.913 1.059 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.242 8.468 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.335 7.795 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.096 7.801 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.162 9.130 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.206 9.282 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.155 10.715 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.403 10.447 2.484 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.793 7.092 0.312 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.887 5.988 0.509 1.00 0.00 C ATOM 1092 C LEU A 68 -3.081 5.808 -0.761 1.00 0.00 C ATOM 1093 O LEU A 68 -1.873 5.517 -0.715 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.649 4.703 0.952 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.217 3.730 -0.078 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.128 2.811 -0.584 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.293 2.914 0.567 1.00 0.00 C ATOM 0 H LEU A 68 -5.777 6.836 0.229 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.195 6.198 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.972 4.134 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.480 5.025 1.579 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.624 4.292 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.545 2.122 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.340 3.403 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.713 2.245 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.706 2.215 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.875 2.359 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.084 3.573 0.926 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.757 6.034 -1.897 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.132 6.008 -3.188 1.00 0.00 C ATOM 1111 C ALA A 69 -2.063 7.066 -3.245 1.00 0.00 C ATOM 1112 O ALA A 69 -1.003 6.820 -3.722 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.146 6.211 -4.298 1.00 0.00 C ATOM 0 H ALA A 69 -4.756 6.239 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.680 5.027 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.639 6.186 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.892 5.417 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.636 7.176 -4.171 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.344 8.214 -2.674 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.395 9.323 -2.623 1.00 0.00 C ATOM 1121 C GLU A 70 -0.084 8.910 -1.984 1.00 0.00 C ATOM 1122 O GLU A 70 1.007 9.123 -2.563 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.988 10.478 -1.845 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.081 11.186 -2.574 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.536 12.065 -3.651 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -1.784 13.013 -3.335 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.848 11.857 -4.819 1.00 0.00 O ATOM 0 H GLU A 70 -3.239 8.415 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.194 9.629 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.376 10.106 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.198 11.191 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.763 10.456 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.661 11.785 -1.872 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.164 8.305 -0.804 1.00 0.00 N ATOM 1135 CA LYS A 71 1.064 7.940 -0.126 1.00 0.00 C ATOM 1136 C LYS A 71 1.794 6.795 -0.840 1.00 0.00 C ATOM 1137 O LYS A 71 3.027 6.810 -0.962 1.00 0.00 O ATOM 1138 CB LYS A 71 0.861 7.701 1.402 1.00 0.00 C ATOM 1139 CG LYS A 71 0.280 6.354 1.877 1.00 0.00 C ATOM 1140 CD LYS A 71 1.343 5.244 1.884 1.00 0.00 C ATOM 1141 CE LYS A 71 1.116 4.222 2.984 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.391 4.792 4.330 1.00 0.00 N ATOM 0 H LYS A 71 -1.028 8.067 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 71 1.730 8.800 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.828 7.831 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.209 8.491 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.132 6.469 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.544 6.064 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.341 4.739 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.329 5.692 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.087 3.866 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.759 3.358 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.997 4.139 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.874 5.707 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.494 4.929 4.839 1.00 0.00 H new ATOM 1156 N ILE A 72 1.039 5.828 -1.342 1.00 0.00 N ATOM 1157 CA ILE A 72 1.646 4.693 -2.017 1.00 0.00 C ATOM 1158 C ILE A 72 2.303 5.134 -3.337 1.00 0.00 C ATOM 1159 O ILE A 72 3.441 4.793 -3.613 1.00 0.00 O ATOM 1160 CB ILE A 72 0.636 3.509 -2.247 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.353 2.307 -2.748 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.455 3.848 -3.189 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.456 1.160 -3.066 1.00 0.00 C ATOM 0 H ILE A 72 0.020 5.807 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 72 2.422 4.307 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 72 0.182 3.306 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.914 2.577 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.080 1.991 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.116 2.989 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.022 4.693 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.031 4.111 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.052 0.321 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.086 0.862 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.255 1.457 -3.837 1.00 0.00 H new ATOM 1175 N TYR A 73 1.585 5.938 -4.082 1.00 0.00 N ATOM 1176 CA TYR A 73 1.989 6.488 -5.361 1.00 0.00 C ATOM 1177 C TYR A 73 3.316 7.215 -5.237 1.00 0.00 C ATOM 1178 O TYR A 73 4.267 6.918 -5.995 1.00 0.00 O ATOM 1179 CB TYR A 73 0.861 7.430 -5.814 1.00 0.00 C ATOM 1180 CG TYR A 73 1.024 8.261 -7.052 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.621 9.501 -6.980 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.501 7.849 -8.267 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.703 10.314 -8.082 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.589 8.650 -9.385 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.187 9.885 -9.286 1.00 0.00 C ATOM 1186 OH TYR A 73 1.281 10.699 -10.400 1.00 0.00 O ATOM 0 H TYR A 73 0.654 6.245 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 73 2.142 5.702 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.034 6.822 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.661 8.114 -4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.031 9.839 -6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.017 6.886 -8.339 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.169 11.285 -8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.192 8.311 -10.331 1.00 0.00 H new ATOM 0 HH TYR A 73 0.871 10.250 -11.169 1.00 0.00 H new ATOM 1196 N LYS A 74 3.405 8.135 -4.268 1.00 0.00 N ATOM 1197 CA LYS A 74 4.630 8.891 -4.081 1.00 0.00 C ATOM 1198 C LYS A 74 5.773 7.967 -3.699 1.00 0.00 C ATOM 1199 O LYS A 74 6.855 8.092 -4.229 1.00 0.00 O ATOM 1200 CB LYS A 74 4.477 10.023 -3.064 1.00 0.00 C ATOM 1201 CG LYS A 74 4.269 9.586 -1.634 1.00 0.00 C ATOM 1202 CD LYS A 74 4.044 10.751 -0.666 1.00 0.00 C ATOM 1203 CE LYS A 74 2.713 11.487 -0.888 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.676 12.326 -2.106 1.00 0.00 N ATOM 0 H LYS A 74 2.654 8.364 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 74 4.862 9.363 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.367 10.651 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.633 10.645 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.411 8.915 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.138 9.015 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.075 10.374 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.864 11.462 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.910 10.752 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.511 12.116 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.254 13.249 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.644 12.465 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.104 11.854 -2.835 1.00 0.00 H new ATOM 1218 N ILE A 75 5.495 6.997 -2.829 1.00 0.00 N ATOM 1219 CA ILE A 75 6.495 6.037 -2.407 1.00 0.00 C ATOM 1220 C ILE A 75 6.991 5.193 -3.582 1.00 0.00 C ATOM 1221 O ILE A 75 8.172 4.885 -3.667 1.00 0.00 O ATOM 1222 CB ILE A 75 5.972 5.145 -1.213 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.510 5.646 0.141 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.286 3.666 -1.396 1.00 0.00 C ATOM 1225 CD1 ILE A 75 6.173 7.076 0.477 1.00 0.00 C ATOM 0 H ILE A 75 4.578 6.861 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 75 7.353 6.596 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 75 4.887 5.244 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.119 5.003 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.594 5.534 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.902 3.104 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.816 3.305 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.365 3.529 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.597 7.331 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.588 7.736 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.090 7.196 0.510 1.00 0.00 H new ATOM 1237 N GLN A 76 6.107 4.884 -4.517 1.00 0.00 N ATOM 1238 CA GLN A 76 6.484 4.042 -5.634 1.00 0.00 C ATOM 1239 C GLN A 76 7.396 4.742 -6.570 1.00 0.00 C ATOM 1240 O GLN A 76 8.399 4.197 -6.987 1.00 0.00 O ATOM 1241 CB GLN A 76 5.289 3.449 -6.341 1.00 0.00 C ATOM 1242 CG GLN A 76 4.524 2.576 -5.388 1.00 0.00 C ATOM 1243 CD GLN A 76 4.206 1.206 -5.913 1.00 0.00 C ATOM 1244 OE1 GLN A 76 3.000 1.012 -6.312 1.00 0.00 O flip ATOM 1245 NE2 GLN A 76 5.022 0.293 -5.829 1.00 0.00 N flip ATOM 0 H GLN A 76 5.137 5.200 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 76 7.039 3.202 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.646 4.244 -6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.615 2.866 -7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.099 2.474 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.591 3.076 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.971 0.485 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.751 -0.658 -6.080 1.00 0.00 H new ATOM 1254 N LYS A 77 7.095 5.960 -6.880 1.00 0.00 N ATOM 1255 CA LYS A 77 7.972 6.693 -7.720 1.00 0.00 C ATOM 1256 C LYS A 77 9.230 7.135 -6.981 1.00 0.00 C ATOM 1257 O LYS A 77 10.286 7.289 -7.589 1.00 0.00 O ATOM 1258 CB LYS A 77 7.241 7.801 -8.394 1.00 0.00 C ATOM 1259 CG LYS A 77 6.371 8.637 -7.475 1.00 0.00 C ATOM 1260 CD LYS A 77 5.575 9.624 -8.260 1.00 0.00 C ATOM 1261 CE LYS A 77 4.680 8.951 -9.304 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.111 9.909 -10.277 1.00 0.00 N ATOM 0 H LYS A 77 6.262 6.459 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 77 8.332 6.037 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.966 8.454 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.615 7.380 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.701 7.989 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.995 9.159 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.958 10.212 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.251 10.319 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.258 8.197 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.868 8.430 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.081 9.966 -10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.532 10.848 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.320 9.587 -11.244 1.00 0.00 H new ATOM 1276 N GLU A 78 9.119 7.307 -5.672 1.00 0.00 N ATOM 1277 CA GLU A 78 10.257 7.650 -4.853 1.00 0.00 C ATOM 1278 C GLU A 78 11.227 6.474 -4.825 1.00 0.00 C ATOM 1279 O GLU A 78 12.437 6.653 -4.955 1.00 0.00 O ATOM 1280 CB GLU A 78 9.820 7.993 -3.443 1.00 0.00 C ATOM 1281 CG GLU A 78 10.853 8.772 -2.657 1.00 0.00 C ATOM 1282 CD GLU A 78 10.301 9.311 -1.368 1.00 0.00 C ATOM 1283 OE1 GLU A 78 10.291 8.611 -0.348 1.00 0.00 O ATOM 1284 OE2 GLU A 78 9.857 10.481 -1.357 1.00 0.00 O ATOM 0 H GLU A 78 8.243 7.212 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 78 10.749 8.524 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.898 8.573 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.590 7.071 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.706 8.127 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.222 9.598 -3.265 1.00 0.00 H new ATOM 1291 N LEU A 79 10.690 5.255 -4.684 1.00 0.00 N ATOM 1292 CA LEU A 79 11.525 4.074 -4.702 1.00 0.00 C ATOM 1293 C LEU A 79 12.144 3.898 -6.066 1.00 0.00 C ATOM 1294 O LEU A 79 13.308 3.573 -6.162 1.00 0.00 O ATOM 1295 CB LEU A 79 10.800 2.791 -4.187 1.00 0.00 C ATOM 1296 CG LEU A 79 9.597 2.230 -4.985 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.034 1.348 -6.152 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.644 1.480 -4.072 1.00 0.00 C ATOM 0 H LEU A 79 9.694 5.074 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 79 12.331 4.230 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.545 1.999 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.455 2.994 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 79 9.072 3.086 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.154 0.980 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.650 1.930 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.610 0.504 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.808 1.096 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.170 0.649 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.270 2.156 -3.303 1.00 0.00 H new ATOM 1310 N GLU A 80 11.366 4.175 -7.109 1.00 0.00 N ATOM 1311 CA GLU A 80 11.856 4.131 -8.477 1.00 0.00 C ATOM 1312 C GLU A 80 13.033 5.086 -8.671 1.00 0.00 C ATOM 1313 O GLU A 80 14.100 4.670 -9.108 1.00 0.00 O ATOM 1314 CB GLU A 80 10.741 4.466 -9.471 1.00 0.00 C ATOM 1315 CG GLU A 80 9.740 3.347 -9.755 1.00 0.00 C ATOM 1316 CD GLU A 80 10.356 2.142 -10.444 1.00 0.00 C ATOM 1317 OE1 GLU A 80 11.239 2.316 -11.333 1.00 0.00 O ATOM 1318 OE2 GLU A 80 9.929 1.004 -10.178 1.00 0.00 O ATOM 0 H GLU A 80 10.383 4.435 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 80 12.199 3.114 -8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.193 5.330 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.199 4.765 -10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.289 3.027 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.936 3.739 -10.377 1.00 0.00 H new ATOM 1325 N GLU A 81 12.862 6.354 -8.297 1.00 0.00 N ATOM 1326 CA GLU A 81 13.922 7.329 -8.487 1.00 0.00 C ATOM 1327 C GLU A 81 15.156 7.001 -7.652 1.00 0.00 C ATOM 1328 O GLU A 81 16.256 7.051 -8.157 1.00 0.00 O ATOM 1329 CB GLU A 81 13.466 8.781 -8.242 1.00 0.00 C ATOM 1330 CG GLU A 81 12.979 9.071 -6.840 1.00 0.00 C ATOM 1331 CD GLU A 81 12.688 10.526 -6.606 1.00 0.00 C ATOM 1332 OE1 GLU A 81 11.627 11.008 -7.037 1.00 0.00 O ATOM 1333 OE2 GLU A 81 13.520 11.215 -5.985 1.00 0.00 O ATOM 0 H GLU A 81 12.012 6.721 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 81 14.195 7.259 -9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.297 9.450 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.667 9.018 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.076 8.491 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.731 8.737 -6.125 1.00 0.00 H new ATOM 1340 N LYS A 82 14.970 6.612 -6.395 1.00 0.00 N ATOM 1341 CA LYS A 82 16.108 6.330 -5.530 1.00 0.00 C ATOM 1342 C LYS A 82 16.865 5.078 -6.017 1.00 0.00 C ATOM 1343 O LYS A 82 18.095 5.005 -5.938 1.00 0.00 O ATOM 1344 CB LYS A 82 15.669 6.252 -4.020 1.00 0.00 C ATOM 1345 CG LYS A 82 14.792 5.064 -3.634 1.00 0.00 C ATOM 1346 CD LYS A 82 15.633 3.840 -3.355 1.00 0.00 C ATOM 1347 CE LYS A 82 14.810 2.590 -3.239 1.00 0.00 C ATOM 1348 NZ LYS A 82 15.688 1.423 -3.144 1.00 0.00 N ATOM 0 H LYS A 82 14.057 6.486 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 82 16.814 7.158 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.567 6.230 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.134 7.168 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.202 5.314 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.088 4.851 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.365 3.716 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.192 3.990 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.169 2.646 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.155 2.494 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.171 0.574 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.518 1.562 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.000 1.302 -2.159 1.00 0.00 H new ATOM 1362 N ARG A 83 16.111 4.135 -6.570 1.00 0.00 N ATOM 1363 CA ARG A 83 16.641 2.876 -7.069 1.00 0.00 C ATOM 1364 C ARG A 83 17.361 3.112 -8.391 1.00 0.00 C ATOM 1365 O ARG A 83 18.475 2.628 -8.588 1.00 0.00 O ATOM 1366 CB ARG A 83 15.472 1.887 -7.265 1.00 0.00 C ATOM 1367 CG ARG A 83 15.804 0.475 -7.749 1.00 0.00 C ATOM 1368 CD ARG A 83 16.448 -0.396 -6.676 1.00 0.00 C ATOM 1369 NE ARG A 83 16.599 -1.782 -7.149 1.00 0.00 N ATOM 1370 CZ ARG A 83 17.114 -2.811 -6.447 1.00 0.00 C ATOM 1371 NH1 ARG A 83 17.267 -2.727 -5.136 1.00 0.00 N ATOM 1372 NH2 ARG A 83 17.364 -3.963 -7.058 1.00 0.00 N ATOM 0 H ARG A 83 15.102 4.227 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 83 17.352 2.460 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.945 1.800 -6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.775 2.329 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.890 -0.006 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.476 0.541 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.424 0.010 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.838 -0.380 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 83 16.284 -1.983 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.994 -1.876 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.658 -3.513 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.166 -4.066 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.754 -4.745 -6.532 1.00 0.00 H new ATOM 1386 N ARG A 84 16.734 3.877 -9.275 1.00 0.00 N ATOM 1387 CA ARG A 84 17.276 4.112 -10.597 1.00 0.00 C ATOM 1388 C ARG A 84 18.360 5.193 -10.601 1.00 0.00 C ATOM 1389 O ARG A 84 19.520 4.888 -10.896 1.00 0.00 O ATOM 1390 CB ARG A 84 16.134 4.520 -11.543 1.00 0.00 C ATOM 1391 CG ARG A 84 16.535 4.717 -13.002 1.00 0.00 C ATOM 1392 CD ARG A 84 17.084 3.435 -13.598 1.00 0.00 C ATOM 1393 NE ARG A 84 16.132 2.330 -13.459 1.00 0.00 N ATOM 1394 CZ ARG A 84 16.433 1.041 -13.576 1.00 0.00 C ATOM 1395 NH1 ARG A 84 17.649 0.668 -13.942 1.00 0.00 N ATOM 1396 NH2 ARG A 84 15.507 0.122 -13.349 1.00 0.00 N ATOM 0 H ARG A 84 15.846 4.345 -9.094 1.00 0.00 H new ATOM 0 HA ARG A 84 17.743 3.187 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.356 3.758 -11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.694 5.447 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.671 5.048 -13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.285 5.504 -13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.312 3.591 -14.653 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.021 3.175 -13.105 1.00 0.00 H new ATOM 0 HE ARG A 84 15.161 2.569 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.362 1.372 -14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.874 -0.323 -14.030 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.563 0.404 -13.084 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.738 -0.868 -13.439 1.00 0.00 H new ATOM 1410 N SER A 85 18.004 6.420 -10.187 1.00 0.00 N ATOM 1411 CA SER A 85 18.911 7.557 -10.233 1.00 0.00 C ATOM 1412 C SER A 85 18.230 8.869 -9.803 1.00 0.00 C ATOM 1413 O SER A 85 17.726 9.618 -10.641 1.00 0.00 O ATOM 1414 CB SER A 85 19.483 7.715 -11.655 1.00 0.00 C ATOM 1415 OG SER A 85 18.446 7.760 -12.659 1.00 0.00 O ATOM 0 H SER A 85 17.081 6.642 -9.814 1.00 0.00 H new ATOM 0 HA SER A 85 19.715 7.356 -9.525 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.076 8.628 -11.707 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.157 6.885 -11.868 1.00 0.00 H new ATOM 0 HG SER A 85 17.771 8.422 -12.402 1.00 0.00 H new ATOM 1421 N ARG A 86 18.160 9.135 -8.521 1.00 0.00 N ATOM 1422 CA ARG A 86 17.573 10.391 -8.087 1.00 0.00 C ATOM 1423 C ARG A 86 18.668 11.416 -7.876 1.00 0.00 C ATOM 1424 O ARG A 86 18.436 12.613 -7.949 1.00 0.00 O ATOM 1425 CB ARG A 86 16.694 10.240 -6.837 1.00 0.00 C ATOM 1426 CG ARG A 86 17.429 9.920 -5.554 1.00 0.00 C ATOM 1427 CD ARG A 86 16.462 9.789 -4.379 1.00 0.00 C ATOM 1428 NE ARG A 86 15.559 10.943 -4.249 1.00 0.00 N ATOM 1429 CZ ARG A 86 15.545 11.809 -3.231 1.00 0.00 C ATOM 1430 NH1 ARG A 86 16.370 11.654 -2.201 1.00 0.00 N ATOM 1431 NH2 ARG A 86 14.688 12.815 -3.236 1.00 0.00 N ATOM 0 H ARG A 86 18.490 8.523 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 86 16.905 10.736 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.136 11.165 -6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.963 9.453 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.987 8.991 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.156 10.704 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.869 8.882 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 86 17.032 9.674 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 86 14.886 11.095 -5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.021 10.869 -2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.352 12.320 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.040 12.929 -4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.675 13.478 -2.461 1.00 0.00 H new ATOM 1445 N LEU A 87 19.871 10.921 -7.629 1.00 0.00 N ATOM 1446 CA LEU A 87 21.051 11.784 -7.494 1.00 0.00 C ATOM 1447 C LEU A 87 21.447 12.337 -8.860 1.00 0.00 C ATOM 1448 O LEU A 87 21.186 11.684 -9.898 1.00 0.00 O ATOM 1449 CB LEU A 87 22.261 11.031 -6.872 1.00 0.00 C ATOM 1450 CG LEU A 87 22.234 10.706 -5.357 1.00 0.00 C ATOM 1451 CD1 LEU A 87 22.080 11.961 -4.531 1.00 0.00 C ATOM 1452 CD2 LEU A 87 21.165 9.688 -4.996 1.00 0.00 C ATOM 0 H LEU A 87 20.064 9.926 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 87 20.783 12.598 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 87 22.377 10.090 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 87 23.155 11.623 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 87 23.197 10.253 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 87 22.064 11.700 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 87 22.917 12.631 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.147 12.459 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.191 9.498 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.185 10.076 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 87 21.351 8.758 -5.534 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 10.211 10.999 22.015 1.00 0.00 N ATOM 1466 CA GLY B 101 11.555 11.296 22.448 1.00 0.00 C ATOM 1467 C GLY B 101 12.543 11.029 21.351 1.00 0.00 C ATOM 1468 O GLY B 101 13.738 11.290 21.478 1.00 0.00 O ATOM 0 HA2 GLY B 101 11.620 12.340 22.755 1.00 0.00 H new ATOM 0 HA3 GLY B 101 11.802 10.691 23.320 1.00 0.00 H new ATOM 1472 N SER B 102 12.030 10.508 20.278 1.00 0.00 N ATOM 1473 CA SER B 102 12.813 10.178 19.124 1.00 0.00 C ATOM 1474 C SER B 102 12.906 11.403 18.206 1.00 0.00 C ATOM 1475 O SER B 102 11.911 11.835 17.613 1.00 0.00 O ATOM 1476 CB SER B 102 12.154 9.000 18.432 1.00 0.00 C ATOM 1477 OG SER B 102 11.910 7.963 19.387 1.00 0.00 O ATOM 0 H SER B 102 11.037 10.296 20.177 1.00 0.00 H new ATOM 0 HA SER B 102 13.830 9.899 19.400 1.00 0.00 H new ATOM 0 HB2 SER B 102 11.217 9.313 17.971 1.00 0.00 H new ATOM 0 HB3 SER B 102 12.795 8.629 17.632 1.00 0.00 H new ATOM 0 HG SER B 102 11.483 7.202 18.941 1.00 0.00 H new ATOM 1483 N MET B 103 14.097 11.956 18.100 1.00 0.00 N ATOM 1484 CA MET B 103 14.328 13.205 17.370 1.00 0.00 C ATOM 1485 C MET B 103 14.444 13.005 15.859 1.00 0.00 C ATOM 1486 O MET B 103 14.594 13.975 15.110 1.00 0.00 O ATOM 1487 CB MET B 103 15.581 13.907 17.901 1.00 0.00 C ATOM 1488 CG MET B 103 15.477 14.358 19.350 1.00 0.00 C ATOM 1489 SD MET B 103 17.003 15.102 19.973 1.00 0.00 S ATOM 1490 CE MET B 103 17.175 16.520 18.889 1.00 0.00 C ATOM 0 H MET B 103 14.940 11.558 18.515 1.00 0.00 H new ATOM 0 HA MET B 103 13.451 13.830 17.541 1.00 0.00 H new ATOM 0 HB2 MET B 103 16.431 13.232 17.803 1.00 0.00 H new ATOM 0 HB3 MET B 103 15.790 14.775 17.276 1.00 0.00 H new ATOM 0 HG2 MET B 103 14.664 15.079 19.442 1.00 0.00 H new ATOM 0 HG3 MET B 103 15.217 13.502 19.973 1.00 0.00 H new ATOM 0 HE1 MET B 103 17.877 17.230 19.327 1.00 0.00 H new ATOM 0 HE2 MET B 103 17.548 16.193 17.918 1.00 0.00 H new ATOM 0 HE3 MET B 103 16.205 17.001 18.762 1.00 0.00 H new ATOM 1500 N SER B 104 14.383 11.783 15.411 1.00 0.00 N ATOM 1501 CA SER B 104 14.515 11.498 14.008 1.00 0.00 C ATOM 1502 C SER B 104 13.378 10.565 13.551 1.00 0.00 C ATOM 1503 O SER B 104 13.505 9.846 12.557 1.00 0.00 O ATOM 1504 CB SER B 104 15.907 10.867 13.756 1.00 0.00 C ATOM 1505 OG SER B 104 16.247 10.807 12.362 1.00 0.00 O ATOM 0 H SER B 104 14.242 10.963 16.000 1.00 0.00 H new ATOM 0 HA SER B 104 14.438 12.416 13.426 1.00 0.00 H new ATOM 0 HB2 SER B 104 16.664 11.445 14.285 1.00 0.00 H new ATOM 0 HB3 SER B 104 15.925 9.860 14.173 1.00 0.00 H new ATOM 0 HG SER B 104 15.472 10.494 11.850 1.00 0.00 H new ATOM 1511 N HIS B 105 12.258 10.584 14.250 1.00 0.00 N ATOM 1512 CA HIS B 105 11.146 9.750 13.841 1.00 0.00 C ATOM 1513 C HIS B 105 10.203 10.582 12.972 1.00 0.00 C ATOM 1514 O HIS B 105 9.793 11.682 13.370 1.00 0.00 O ATOM 1515 CB HIS B 105 10.414 9.115 15.048 1.00 0.00 C ATOM 1516 CG HIS B 105 9.499 7.968 14.665 1.00 0.00 C ATOM 1517 ND1 HIS B 105 8.446 7.503 15.435 1.00 0.00 N ATOM 1518 CD2 HIS B 105 9.534 7.163 13.573 1.00 0.00 C ATOM 1519 CE1 HIS B 105 7.898 6.459 14.800 1.00 0.00 C ATOM 1520 NE2 HIS B 105 8.523 6.215 13.658 1.00 0.00 N ATOM 0 H HIS B 105 12.096 11.152 15.082 1.00 0.00 H new ATOM 0 HA HIS B 105 11.527 8.912 13.258 1.00 0.00 H new ATOM 0 HB2 HIS B 105 11.154 8.756 15.764 1.00 0.00 H new ATOM 0 HB3 HIS B 105 9.829 9.883 15.553 1.00 0.00 H new ATOM 0 HD2 HIS B 105 10.241 7.247 12.761 1.00 0.00 H new ATOM 0 HE1 HIS B 105 7.057 5.891 15.170 1.00 0.00 H new ATOM 0 HE2 HIS B 105 8.307 5.483 12.982 1.00 0.00 H new ATOM 1528 N TYR B 106 9.893 10.046 11.781 1.00 0.00 N ATOM 1529 CA TYR B 106 9.093 10.714 10.735 1.00 0.00 C ATOM 1530 C TYR B 106 9.874 11.838 10.073 1.00 0.00 C ATOM 1531 O TYR B 106 10.396 12.736 10.739 1.00 0.00 O ATOM 1532 CB TYR B 106 7.718 11.204 11.214 1.00 0.00 C ATOM 1533 CG TYR B 106 6.730 10.111 11.531 1.00 0.00 C ATOM 1534 CD1 TYR B 106 5.883 9.618 10.550 1.00 0.00 C ATOM 1535 CD2 TYR B 106 6.628 9.584 12.807 1.00 0.00 C ATOM 1536 CE1 TYR B 106 4.963 8.634 10.831 1.00 0.00 C ATOM 1537 CE2 TYR B 106 5.712 8.595 13.093 1.00 0.00 C ATOM 1538 CZ TYR B 106 4.881 8.125 12.104 1.00 0.00 C ATOM 1539 OH TYR B 106 3.952 7.141 12.397 1.00 0.00 O ATOM 0 H TYR B 106 10.199 9.112 11.509 1.00 0.00 H new ATOM 0 HA TYR B 106 8.889 9.944 9.991 1.00 0.00 H new ATOM 0 HB2 TYR B 106 7.857 11.817 12.104 1.00 0.00 H new ATOM 0 HB3 TYR B 106 7.290 11.849 10.446 1.00 0.00 H new ATOM 0 HD1 TYR B 106 5.947 10.014 9.547 1.00 0.00 H new ATOM 0 HD2 TYR B 106 7.275 9.953 13.589 1.00 0.00 H new ATOM 0 HE1 TYR B 106 4.309 8.264 10.055 1.00 0.00 H new ATOM 0 HE2 TYR B 106 5.647 8.190 14.092 1.00 0.00 H new ATOM 0 HH TYR B 106 4.027 6.891 13.342 1.00 0.00 H new ATOM 1549 N GLY B 107 9.941 11.790 8.772 1.00 0.00 N ATOM 1550 CA GLY B 107 10.719 12.734 8.026 1.00 0.00 C ATOM 1551 C GLY B 107 11.772 12.017 7.249 1.00 0.00 C ATOM 1552 O GLY B 107 12.864 11.774 7.761 1.00 0.00 O ATOM 0 H GLY B 107 9.458 11.096 8.201 1.00 0.00 H new ATOM 0 HA2 GLY B 107 10.075 13.297 7.350 1.00 0.00 H new ATOM 0 HA3 GLY B 107 11.180 13.455 8.702 1.00 0.00 H new ATOM 1556 N ASN B 108 11.406 11.579 6.050 1.00 0.00 N ATOM 1557 CA ASN B 108 12.287 10.823 5.125 1.00 0.00 C ATOM 1558 C ASN B 108 12.526 9.408 5.661 1.00 0.00 C ATOM 1559 O ASN B 108 13.253 8.594 5.087 1.00 0.00 O ATOM 1560 CB ASN B 108 13.612 11.601 4.832 1.00 0.00 C ATOM 1561 CG ASN B 108 14.504 10.960 3.771 1.00 0.00 C ATOM 1562 OD1 ASN B 108 14.312 11.182 2.586 1.00 0.00 O ATOM 1563 ND2 ASN B 108 15.513 10.222 4.187 1.00 0.00 N ATOM 0 H ASN B 108 10.472 11.735 5.672 1.00 0.00 H new ATOM 0 HA ASN B 108 11.785 10.721 4.163 1.00 0.00 H new ATOM 0 HB2 ASN B 108 13.361 12.613 4.514 1.00 0.00 H new ATOM 0 HB3 ASN B 108 14.179 11.690 5.759 1.00 0.00 H new ATOM 0 HD21 ASN B 108 16.161 9.817 3.512 1.00 0.00 H new ATOM 0 HD22 ASN B 108 15.646 10.055 5.184 1.00 0.00 H new ATOM 1570 N GLN B 109 11.816 9.084 6.718 1.00 0.00 N ATOM 1571 CA GLN B 109 11.960 7.811 7.353 1.00 0.00 C ATOM 1572 C GLN B 109 11.271 6.758 6.552 1.00 0.00 C ATOM 1573 O GLN B 109 11.698 5.615 6.531 1.00 0.00 O ATOM 1574 CB GLN B 109 11.477 7.828 8.803 1.00 0.00 C ATOM 1575 CG GLN B 109 12.257 8.785 9.693 1.00 0.00 C ATOM 1576 CD GLN B 109 13.754 8.618 9.528 1.00 0.00 C ATOM 1577 OE1 GLN B 109 14.378 7.797 10.192 1.00 0.00 O ATOM 1578 NE2 GLN B 109 14.341 9.424 8.683 1.00 0.00 N ATOM 0 H GLN B 109 11.128 9.698 7.154 1.00 0.00 H new ATOM 0 HA GLN B 109 13.023 7.574 7.392 1.00 0.00 H new ATOM 0 HB2 GLN B 109 10.423 8.104 8.823 1.00 0.00 H new ATOM 0 HB3 GLN B 109 11.551 6.821 9.214 1.00 0.00 H new ATOM 0 HG2 GLN B 109 11.978 9.811 9.455 1.00 0.00 H new ATOM 0 HG3 GLN B 109 11.985 8.615 10.735 1.00 0.00 H new ATOM 0 HE21 GLN B 109 13.788 10.094 8.149 1.00 0.00 H new ATOM 0 HE22 GLN B 109 15.352 9.383 8.558 1.00 0.00 H new ATOM 1587 N THR B 110 10.251 7.167 5.825 1.00 0.00 N ATOM 1588 CA THR B 110 9.540 6.261 4.981 1.00 0.00 C ATOM 1589 C THR B 110 10.446 5.847 3.812 1.00 0.00 C ATOM 1590 O THR B 110 10.370 4.731 3.351 1.00 0.00 O ATOM 1591 CB THR B 110 8.168 6.854 4.488 1.00 0.00 C ATOM 1592 OG1 THR B 110 7.427 5.881 3.714 1.00 0.00 O ATOM 1593 CG2 THR B 110 8.363 8.123 3.662 1.00 0.00 C ATOM 0 H THR B 110 9.904 8.126 5.810 1.00 0.00 H new ATOM 0 HA THR B 110 9.281 5.374 5.559 1.00 0.00 H new ATOM 0 HB THR B 110 7.597 7.109 5.381 1.00 0.00 H new ATOM 0 HG1 THR B 110 6.578 6.274 3.421 1.00 0.00 H new ATOM 0 HG21 THR B 110 7.392 8.501 3.341 1.00 0.00 H new ATOM 0 HG22 THR B 110 8.864 8.878 4.268 1.00 0.00 H new ATOM 0 HG23 THR B 110 8.972 7.897 2.787 1.00 0.00 H new ATOM 1601 N LEU B 111 11.351 6.744 3.402 1.00 0.00 N ATOM 1602 CA LEU B 111 12.283 6.465 2.325 1.00 0.00 C ATOM 1603 C LEU B 111 13.379 5.521 2.790 1.00 0.00 C ATOM 1604 O LEU B 111 13.673 4.529 2.126 1.00 0.00 O ATOM 1605 CB LEU B 111 12.894 7.759 1.759 1.00 0.00 C ATOM 1606 CG LEU B 111 13.955 7.584 0.656 1.00 0.00 C ATOM 1607 CD1 LEU B 111 13.390 6.821 -0.530 1.00 0.00 C ATOM 1608 CD2 LEU B 111 14.492 8.933 0.205 1.00 0.00 C ATOM 0 H LEU B 111 11.450 7.674 3.809 1.00 0.00 H new ATOM 0 HA LEU B 111 11.723 5.981 1.525 1.00 0.00 H new ATOM 0 HB2 LEU B 111 12.086 8.375 1.363 1.00 0.00 H new ATOM 0 HB3 LEU B 111 13.344 8.314 2.582 1.00 0.00 H new ATOM 0 HG LEU B 111 14.777 7.004 1.076 1.00 0.00 H new ATOM 0 HD11 LEU B 111 14.161 6.712 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU B 111 13.060 5.835 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU B 111 12.543 7.368 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU B 111 15.240 8.785 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU B 111 13.674 9.538 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU B 111 14.948 9.445 1.053 1.00 0.00 H new ATOM 1620 N GLN B 112 13.977 5.802 3.940 1.00 0.00 N ATOM 1621 CA GLN B 112 15.050 4.941 4.417 1.00 0.00 C ATOM 1622 C GLN B 112 14.533 3.583 4.884 1.00 0.00 C ATOM 1623 O GLN B 112 15.227 2.573 4.739 1.00 0.00 O ATOM 1624 CB GLN B 112 15.954 5.607 5.459 1.00 0.00 C ATOM 1625 CG GLN B 112 15.273 6.045 6.733 1.00 0.00 C ATOM 1626 CD GLN B 112 16.270 6.578 7.730 1.00 0.00 C ATOM 1627 OE1 GLN B 112 16.571 7.766 7.749 1.00 0.00 O ATOM 1628 NE2 GLN B 112 16.811 5.709 8.541 1.00 0.00 N ATOM 0 H GLN B 112 13.748 6.592 4.543 1.00 0.00 H new ATOM 0 HA GLN B 112 15.688 4.762 3.552 1.00 0.00 H new ATOM 0 HB2 GLN B 112 16.753 4.912 5.717 1.00 0.00 H new ATOM 0 HB3 GLN B 112 16.424 6.478 5.002 1.00 0.00 H new ATOM 0 HG2 GLN B 112 14.534 6.814 6.507 1.00 0.00 H new ATOM 0 HG3 GLN B 112 14.734 5.203 7.168 1.00 0.00 H new ATOM 0 HE21 GLN B 112 16.535 4.728 8.495 1.00 0.00 H new ATOM 0 HE22 GLN B 112 17.510 6.011 9.220 1.00 0.00 H new ATOM 1637 N ASP B 113 13.310 3.548 5.414 1.00 0.00 N ATOM 1638 CA ASP B 113 12.684 2.273 5.797 1.00 0.00 C ATOM 1639 C ASP B 113 12.339 1.500 4.546 1.00 0.00 C ATOM 1640 O ASP B 113 12.480 0.286 4.492 1.00 0.00 O ATOM 1641 CB ASP B 113 11.437 2.476 6.678 1.00 0.00 C ATOM 1642 CG ASP B 113 10.748 1.169 7.077 1.00 0.00 C ATOM 1643 OD1 ASP B 113 11.445 0.176 7.404 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.497 1.136 7.143 1.00 0.00 O ATOM 0 H ASP B 113 12.736 4.373 5.588 1.00 0.00 H new ATOM 0 HA ASP B 113 13.396 1.707 6.398 1.00 0.00 H new ATOM 0 HB2 ASP B 113 11.724 3.016 7.581 1.00 0.00 H new ATOM 0 HB3 ASP B 113 10.724 3.104 6.144 1.00 0.00 H new ATOM 1649 N LEU B 114 11.953 2.226 3.512 1.00 0.00 N ATOM 1650 CA LEU B 114 11.682 1.636 2.218 1.00 0.00 C ATOM 1651 C LEU B 114 12.982 1.076 1.627 1.00 0.00 C ATOM 1652 O LEU B 114 12.980 0.071 0.920 1.00 0.00 O ATOM 1653 CB LEU B 114 11.060 2.684 1.291 1.00 0.00 C ATOM 1654 CG LEU B 114 10.621 2.226 -0.083 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.719 1.014 0.024 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.896 3.361 -0.766 1.00 0.00 C ATOM 0 H LEU B 114 11.820 3.237 3.547 1.00 0.00 H new ATOM 0 HA LEU B 114 10.973 0.816 2.327 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.193 3.109 1.797 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.782 3.491 1.162 1.00 0.00 H new ATOM 0 HG LEU B 114 11.496 1.943 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.413 0.699 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.257 0.202 0.512 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.836 1.268 0.611 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.575 3.043 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU B 114 9.025 3.644 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.565 4.217 -0.859 1.00 0.00 H new ATOM 1668 N LEU B 115 14.093 1.721 1.945 1.00 0.00 N ATOM 1669 CA LEU B 115 15.398 1.244 1.534 1.00 0.00 C ATOM 1670 C LEU B 115 15.746 -0.041 2.311 1.00 0.00 C ATOM 1671 O LEU B 115 16.392 -0.939 1.783 1.00 0.00 O ATOM 1672 CB LEU B 115 16.467 2.329 1.739 1.00 0.00 C ATOM 1673 CG LEU B 115 17.869 2.015 1.203 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.835 1.802 -0.309 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.838 3.133 1.559 1.00 0.00 C ATOM 0 H LEU B 115 14.113 2.582 2.491 1.00 0.00 H new ATOM 0 HA LEU B 115 15.374 1.011 0.469 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.118 3.246 1.265 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.547 2.532 2.807 1.00 0.00 H new ATOM 0 HG LEU B 115 18.214 1.093 1.671 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.840 1.581 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.174 0.968 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.467 2.705 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.828 2.894 1.171 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.492 4.068 1.119 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.889 3.239 2.643 1.00 0.00 H new ATOM 1687 N THR B 116 15.292 -0.122 3.552 1.00 0.00 N ATOM 1688 CA THR B 116 15.453 -1.321 4.351 1.00 0.00 C ATOM 1689 C THR B 116 14.651 -2.474 3.701 1.00 0.00 C ATOM 1690 O THR B 116 15.149 -3.603 3.572 1.00 0.00 O ATOM 1691 CB THR B 116 14.968 -1.079 5.799 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.630 0.090 6.338 1.00 0.00 O ATOM 1693 CG2 THR B 116 15.281 -2.277 6.687 1.00 0.00 C ATOM 0 H THR B 116 14.805 0.637 4.029 1.00 0.00 H new ATOM 0 HA THR B 116 16.509 -1.588 4.390 1.00 0.00 H new ATOM 0 HB THR B 116 13.888 -0.930 5.778 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.327 0.888 5.857 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.930 -2.081 7.700 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.780 -3.162 6.294 1.00 0.00 H new ATOM 0 HG23 THR B 116 16.358 -2.447 6.703 1.00 0.00 H new ATOM 1701 N SER B 117 13.433 -2.160 3.262 1.00 0.00 N ATOM 1702 CA SER B 117 12.579 -3.101 2.553 1.00 0.00 C ATOM 1703 C SER B 117 13.259 -3.537 1.247 1.00 0.00 C ATOM 1704 O SER B 117 13.256 -4.714 0.883 1.00 0.00 O ATOM 1705 CB SER B 117 11.261 -2.420 2.234 1.00 0.00 C ATOM 1706 OG SER B 117 10.678 -1.856 3.398 1.00 0.00 O ATOM 0 H SER B 117 13.012 -1.240 3.391 1.00 0.00 H new ATOM 0 HA SER B 117 12.405 -3.980 3.174 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.423 -1.639 1.491 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.573 -3.142 1.793 1.00 0.00 H new ATOM 0 HG SER B 117 9.768 -1.554 3.195 1.00 0.00 H new ATOM 1712 N ASP B 118 13.854 -2.566 0.573 1.00 0.00 N ATOM 1713 CA ASP B 118 14.619 -2.770 -0.664 1.00 0.00 C ATOM 1714 C ASP B 118 15.745 -3.779 -0.445 1.00 0.00 C ATOM 1715 O ASP B 118 15.939 -4.696 -1.244 1.00 0.00 O ATOM 1716 CB ASP B 118 15.196 -1.424 -1.119 1.00 0.00 C ATOM 1717 CG ASP B 118 16.171 -1.517 -2.267 1.00 0.00 C ATOM 1718 OD1 ASP B 118 17.360 -1.771 -2.038 1.00 0.00 O ATOM 1719 OD2 ASP B 118 15.764 -1.244 -3.409 1.00 0.00 O ATOM 0 H ASP B 118 13.823 -1.591 0.870 1.00 0.00 H new ATOM 0 HA ASP B 118 13.957 -3.168 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP B 118 14.374 -0.770 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.695 -0.952 -0.273 1.00 0.00 H new ATOM 1724 N SER B 119 16.430 -3.635 0.668 1.00 0.00 N ATOM 1725 CA SER B 119 17.532 -4.499 1.027 1.00 0.00 C ATOM 1726 C SER B 119 17.042 -5.943 1.346 1.00 0.00 C ATOM 1727 O SER B 119 17.833 -6.877 1.394 1.00 0.00 O ATOM 1728 CB SER B 119 18.311 -3.868 2.207 1.00 0.00 C ATOM 1729 OG SER B 119 19.499 -4.588 2.529 1.00 0.00 O ATOM 0 H SER B 119 16.235 -2.907 1.356 1.00 0.00 H new ATOM 0 HA SER B 119 18.210 -4.591 0.178 1.00 0.00 H new ATOM 0 HB2 SER B 119 18.571 -2.839 1.957 1.00 0.00 H new ATOM 0 HB3 SER B 119 17.665 -3.829 3.084 1.00 0.00 H new ATOM 0 HG SER B 119 19.385 -5.531 2.290 1.00 0.00 H new ATOM 1735 N LEU B 120 15.751 -6.108 1.564 1.00 0.00 N ATOM 1736 CA LEU B 120 15.173 -7.404 1.796 1.00 0.00 C ATOM 1737 C LEU B 120 14.770 -8.015 0.438 1.00 0.00 C ATOM 1738 O LEU B 120 14.800 -9.236 0.243 1.00 0.00 O ATOM 1739 CB LEU B 120 13.963 -7.236 2.764 1.00 0.00 C ATOM 1740 CG LEU B 120 13.235 -8.499 3.251 1.00 0.00 C ATOM 1741 CD1 LEU B 120 12.503 -8.202 4.555 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.219 -9.004 2.226 1.00 0.00 C ATOM 0 H LEU B 120 15.078 -5.341 1.584 1.00 0.00 H new ATOM 0 HA LEU B 120 15.881 -8.087 2.265 1.00 0.00 H new ATOM 0 HB2 LEU B 120 14.314 -6.695 3.643 1.00 0.00 H new ATOM 0 HB3 LEU B 120 13.229 -6.599 2.270 1.00 0.00 H new ATOM 0 HG LEU B 120 13.990 -9.271 3.399 1.00 0.00 H new ATOM 0 HD11 LEU B 120 11.988 -9.100 4.896 1.00 0.00 H new ATOM 0 HD12 LEU B 120 13.221 -7.886 5.312 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.775 -7.407 4.391 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.728 -9.898 2.611 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.473 -8.231 2.042 1.00 0.00 H new ATOM 0 HD23 LEU B 120 12.731 -9.244 1.294 1.00 0.00 H new ATOM 1754 N SER B 121 14.425 -7.152 -0.490 1.00 0.00 N ATOM 1755 CA SER B 121 13.989 -7.551 -1.804 1.00 0.00 C ATOM 1756 C SER B 121 15.182 -7.981 -2.668 1.00 0.00 C ATOM 1757 O SER B 121 15.143 -9.043 -3.327 1.00 0.00 O ATOM 1758 CB SER B 121 13.252 -6.390 -2.457 1.00 0.00 C ATOM 1759 OG SER B 121 12.631 -6.785 -3.654 1.00 0.00 O ATOM 0 H SER B 121 14.440 -6.142 -0.350 1.00 0.00 H new ATOM 0 HA SER B 121 13.318 -8.406 -1.714 1.00 0.00 H new ATOM 0 HB2 SER B 121 12.503 -5.999 -1.768 1.00 0.00 H new ATOM 0 HB3 SER B 121 13.953 -5.580 -2.659 1.00 0.00 H new ATOM 0 HG SER B 121 11.685 -6.528 -3.632 1.00 0.00 H new ATOM 1765 N HIS B 122 16.235 -7.151 -2.659 1.00 0.00 N ATOM 1766 CA HIS B 122 17.490 -7.358 -3.413 1.00 0.00 C ATOM 1767 C HIS B 122 17.331 -7.053 -4.908 1.00 0.00 C ATOM 1768 O HIS B 122 18.112 -6.288 -5.491 1.00 0.00 O ATOM 1769 CB HIS B 122 18.087 -8.778 -3.230 1.00 0.00 C ATOM 1770 CG HIS B 122 18.433 -9.148 -1.821 1.00 0.00 C ATOM 1771 ND1 HIS B 122 17.772 -10.119 -1.098 1.00 0.00 N ATOM 1772 CD2 HIS B 122 19.417 -8.693 -1.019 1.00 0.00 C ATOM 1773 CE1 HIS B 122 18.357 -10.221 0.087 1.00 0.00 C ATOM 1774 NE2 HIS B 122 19.369 -9.376 0.192 1.00 0.00 N ATOM 0 H HIS B 122 16.242 -6.290 -2.112 1.00 0.00 H new ATOM 0 HA HIS B 122 18.193 -6.644 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS B 122 17.374 -9.507 -3.615 1.00 0.00 H new ATOM 0 HB3 HIS B 122 18.986 -8.858 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.128 -7.922 -1.276 1.00 0.00 H new ATOM 0 HE1 HIS B 122 18.048 -10.904 0.864 1.00 0.00 H new ATOM 0 HE2 HIS B 122 19.986 -9.251 0.994 1.00 0.00 H new ATOM 1782 N SER B 123 16.348 -7.638 -5.528 1.00 0.00 N ATOM 1783 CA SER B 123 16.168 -7.478 -6.941 1.00 0.00 C ATOM 1784 C SER B 123 14.948 -6.601 -7.218 1.00 0.00 C ATOM 1785 O SER B 123 14.135 -6.360 -6.330 1.00 0.00 O ATOM 1786 CB SER B 123 16.034 -8.858 -7.609 1.00 0.00 C ATOM 1787 OG SER B 123 16.048 -8.773 -9.036 1.00 0.00 O ATOM 0 H SER B 123 15.655 -8.233 -5.074 1.00 0.00 H new ATOM 0 HA SER B 123 17.040 -6.980 -7.366 1.00 0.00 H new ATOM 0 HB2 SER B 123 16.850 -9.501 -7.277 1.00 0.00 H new ATOM 0 HB3 SER B 123 15.106 -9.328 -7.284 1.00 0.00 H new ATOM 0 HG SER B 123 15.962 -9.671 -9.418 1.00 0.00 H new ATOM 1793 N ASP B 124 14.838 -6.134 -8.435 1.00 0.00 N ATOM 1794 CA ASP B 124 13.747 -5.276 -8.849 1.00 0.00 C ATOM 1795 C ASP B 124 12.554 -6.138 -9.237 1.00 0.00 C ATOM 1796 O ASP B 124 12.347 -6.446 -10.417 1.00 0.00 O ATOM 1797 CB ASP B 124 14.173 -4.373 -10.031 1.00 0.00 C ATOM 1798 CG ASP B 124 15.320 -3.427 -9.701 1.00 0.00 C ATOM 1799 OD1 ASP B 124 16.476 -3.877 -9.595 1.00 0.00 O ATOM 1800 OD2 ASP B 124 15.100 -2.214 -9.554 1.00 0.00 O ATOM 0 H ASP B 124 15.507 -6.338 -9.177 1.00 0.00 H new ATOM 0 HA ASP B 124 13.470 -4.625 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP B 124 14.465 -5.004 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP B 124 13.313 -3.787 -10.356 1.00 0.00 H new ATOM 1805 N GLY B 125 11.817 -6.576 -8.236 1.00 0.00 N ATOM 1806 CA GLY B 125 10.702 -7.474 -8.451 1.00 0.00 C ATOM 1807 C GLY B 125 9.394 -6.745 -8.662 1.00 0.00 C ATOM 1808 O GLY B 125 9.128 -6.218 -9.751 1.00 0.00 O ATOM 0 H GLY B 125 11.972 -6.322 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY B 125 10.908 -8.100 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY B 125 10.607 -8.140 -7.593 1.00 0.00 H new ATOM 1812 N GLY B 126 8.582 -6.723 -7.644 1.00 0.00 N ATOM 1813 CA GLY B 126 7.315 -6.050 -7.711 1.00 0.00 C ATOM 1814 C GLY B 126 6.253 -6.915 -8.354 1.00 0.00 C ATOM 1815 O GLY B 126 6.220 -8.140 -8.146 1.00 0.00 O ATOM 0 H GLY B 126 8.778 -7.169 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY B 126 6.998 -5.772 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY B 126 7.424 -5.126 -8.279 1.00 0.00 H new ATOM 1819 N GLY B 127 5.423 -6.304 -9.153 1.00 0.00 N ATOM 1820 CA GLY B 127 4.343 -7.003 -9.805 1.00 0.00 C ATOM 1821 C GLY B 127 3.277 -6.030 -10.218 1.00 0.00 C ATOM 1822 O GLY B 127 2.516 -6.283 -11.164 1.00 0.00 O ATOM 0 H GLY B 127 5.473 -5.309 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY B 127 4.719 -7.536 -10.678 1.00 0.00 H new ATOM 0 HA3 GLY B 127 3.924 -7.750 -9.132 1.00 0.00 H new ATOM 1826 N SER B 128 3.212 -4.932 -9.470 1.00 0.00 N ATOM 1827 CA SER B 128 2.338 -3.784 -9.705 1.00 0.00 C ATOM 1828 C SER B 128 0.893 -4.080 -9.236 1.00 0.00 C ATOM 1829 O SER B 128 0.290 -3.278 -8.512 1.00 0.00 O ATOM 1830 CB SER B 128 2.417 -3.297 -11.181 1.00 0.00 C ATOM 1831 OG SER B 128 1.950 -1.963 -11.325 1.00 0.00 O ATOM 0 H SER B 128 3.796 -4.812 -8.642 1.00 0.00 H new ATOM 0 HA SER B 128 2.695 -2.952 -9.098 1.00 0.00 H new ATOM 0 HB2 SER B 128 3.448 -3.360 -11.529 1.00 0.00 H new ATOM 0 HB3 SER B 128 1.826 -3.959 -11.814 1.00 0.00 H new ATOM 0 HG SER B 128 2.017 -1.693 -12.265 1.00 0.00 H new ATOM 1837 N GLY B 129 0.364 -5.228 -9.617 1.00 0.00 N ATOM 1838 CA GLY B 129 -0.945 -5.627 -9.167 1.00 0.00 C ATOM 1839 C GLY B 129 -2.051 -5.284 -10.137 1.00 0.00 C ATOM 1840 O GLY B 129 -2.395 -4.115 -10.322 1.00 0.00 O ATOM 0 H GLY B 129 0.824 -5.895 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -0.947 -6.703 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -1.152 -5.149 -8.210 1.00 0.00 H new ATOM 1844 N GLY B 130 -2.612 -6.287 -10.739 1.00 0.00 N ATOM 1845 CA GLY B 130 -3.712 -6.096 -11.638 1.00 0.00 C ATOM 1846 C GLY B 130 -4.692 -7.217 -11.480 1.00 0.00 C ATOM 1847 O GLY B 130 -4.378 -8.215 -10.809 1.00 0.00 O ATOM 0 H GLY B 130 -2.323 -7.258 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -4.199 -5.142 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -3.352 -6.057 -12.666 1.00 0.00 H new ATOM 1851 N GLY B 131 -5.851 -7.091 -12.058 1.00 0.00 N ATOM 1852 CA GLY B 131 -6.835 -8.133 -11.955 1.00 0.00 C ATOM 1853 C GLY B 131 -7.861 -7.821 -10.900 1.00 0.00 C ATOM 1854 O GLY B 131 -8.217 -8.687 -10.080 1.00 0.00 O ATOM 0 H GLY B 131 -6.139 -6.280 -12.605 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -7.330 -8.264 -12.917 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -6.344 -9.077 -11.718 1.00 0.00 H new ATOM 1858 N SER B 132 -8.318 -6.590 -10.891 1.00 0.00 N ATOM 1859 CA SER B 132 -9.324 -6.154 -9.958 1.00 0.00 C ATOM 1860 C SER B 132 -10.678 -6.767 -10.307 1.00 0.00 C ATOM 1861 O SER B 132 -11.032 -6.884 -11.487 1.00 0.00 O ATOM 1862 CB SER B 132 -9.385 -4.610 -9.900 1.00 0.00 C ATOM 1863 OG SER B 132 -9.497 -4.018 -11.205 1.00 0.00 O ATOM 0 H SER B 132 -8.000 -5.864 -11.533 1.00 0.00 H new ATOM 0 HA SER B 132 -9.054 -6.503 -8.961 1.00 0.00 H new ATOM 0 HB2 SER B 132 -10.236 -4.305 -9.291 1.00 0.00 H new ATOM 0 HB3 SER B 132 -8.489 -4.232 -9.408 1.00 0.00 H new ATOM 0 HG SER B 132 -8.608 -3.952 -11.612 1.00 0.00 H new ATOM 1869 N GLY B 133 -11.388 -7.204 -9.299 1.00 0.00 N ATOM 1870 CA GLY B 133 -12.681 -7.785 -9.493 1.00 0.00 C ATOM 1871 C GLY B 133 -13.538 -7.532 -8.291 1.00 0.00 C ATOM 1872 O GLY B 133 -13.012 -7.472 -7.168 1.00 0.00 O ATOM 0 H GLY B 133 -11.083 -7.165 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -13.150 -7.361 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -12.586 -8.857 -9.664 1.00 0.00 H new ATOM 1876 N GLY B 134 -14.820 -7.349 -8.507 1.00 0.00 N ATOM 1877 CA GLY B 134 -15.731 -7.096 -7.424 1.00 0.00 C ATOM 1878 C GLY B 134 -16.877 -6.205 -7.844 1.00 0.00 C ATOM 1879 O GLY B 134 -17.340 -6.290 -8.985 1.00 0.00 O ATOM 0 H GLY B 134 -15.254 -7.372 -9.430 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -16.125 -8.042 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -15.193 -6.629 -6.599 1.00 0.00 H new ATOM 1883 N GLY B 135 -17.308 -5.328 -6.961 1.00 0.00 N ATOM 1884 CA GLY B 135 -18.455 -4.497 -7.234 1.00 0.00 C ATOM 1885 C GLY B 135 -18.124 -3.030 -7.437 1.00 0.00 C ATOM 1886 O GLY B 135 -17.398 -2.689 -8.363 1.00 0.00 O ATOM 0 H GLY B 135 -16.879 -5.175 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -18.957 -4.872 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -19.161 -4.588 -6.408 1.00 0.00 H new ATOM 1890 N SER B 136 -18.632 -2.195 -6.516 1.00 0.00 N ATOM 1891 CA SER B 136 -18.574 -0.707 -6.533 1.00 0.00 C ATOM 1892 C SER B 136 -17.391 -0.097 -7.337 1.00 0.00 C ATOM 1893 O SER B 136 -17.578 0.394 -8.444 1.00 0.00 O ATOM 1894 CB SER B 136 -18.601 -0.173 -5.078 1.00 0.00 C ATOM 1895 OG SER B 136 -18.570 1.246 -5.030 1.00 0.00 O ATOM 0 H SER B 136 -19.121 -2.548 -5.694 1.00 0.00 H new ATOM 0 HA SER B 136 -19.459 -0.377 -7.077 1.00 0.00 H new ATOM 0 HB2 SER B 136 -19.499 -0.533 -4.577 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.748 -0.573 -4.529 1.00 0.00 H new ATOM 0 HG SER B 136 -17.705 1.543 -4.678 1.00 0.00 H new ATOM 1901 N LEU B 137 -16.197 -0.134 -6.788 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.031 0.429 -7.482 1.00 0.00 C ATOM 1903 C LEU B 137 -14.233 -0.699 -8.088 1.00 0.00 C ATOM 1904 O LEU B 137 -13.422 -0.509 -8.986 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.112 1.162 -6.488 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.718 2.256 -5.612 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.642 2.825 -4.704 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.339 3.357 -6.453 1.00 0.00 C ATOM 0 H LEU B 137 -15.996 -0.540 -5.874 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.384 1.125 -8.243 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.672 0.414 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.295 1.606 -7.056 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.513 1.819 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.071 3.607 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.242 2.032 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -12.840 3.246 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -15.761 4.120 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -14.574 3.805 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.128 2.937 -7.077 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.544 -1.866 -7.616 1.00 0.00 N ATOM 1921 CA GLU B 138 -13.732 -3.056 -7.782 1.00 0.00 C ATOM 1922 C GLU B 138 -13.987 -3.743 -9.132 1.00 0.00 C ATOM 1923 O GLU B 138 -13.194 -4.571 -9.550 1.00 0.00 O ATOM 1924 CB GLU B 138 -14.061 -4.029 -6.638 1.00 0.00 C ATOM 1925 CG GLU B 138 -14.554 -3.346 -5.358 1.00 0.00 C ATOM 1926 CD GLU B 138 -15.079 -4.308 -4.307 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -16.092 -4.998 -4.576 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -14.568 -4.326 -3.188 1.00 0.00 O ATOM 0 H GLU B 138 -15.398 -2.034 -7.084 1.00 0.00 H new ATOM 0 HA GLU B 138 -12.682 -2.766 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -14.823 -4.730 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -13.171 -4.614 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -13.736 -2.767 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -15.343 -2.640 -5.616 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.109 -3.378 -9.783 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.590 -3.972 -11.053 1.00 0.00 C ATOM 1937 C CYS B 139 -14.445 -4.225 -12.043 1.00 0.00 C ATOM 1938 O CYS B 139 -14.191 -5.371 -12.432 1.00 0.00 O ATOM 1939 CB CYS B 139 -16.656 -3.047 -11.669 1.00 0.00 C ATOM 1940 SG CYS B 139 -17.438 -3.663 -13.175 1.00 0.00 S ATOM 0 H CYS B 139 -15.724 -2.643 -9.434 1.00 0.00 H new ATOM 0 HA CYS B 139 -16.030 -4.945 -10.834 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.431 -2.868 -10.924 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -16.195 -2.084 -11.887 1.00 0.00 H new ATOM 0 HG CYS B 139 -16.634 -3.492 -14.182 1.00 0.00 H new ATOM 1946 N ASP B 140 -13.755 -3.174 -12.411 1.00 0.00 N ATOM 1947 CA ASP B 140 -12.563 -3.242 -13.239 1.00 0.00 C ATOM 1948 C ASP B 140 -11.925 -1.889 -13.237 1.00 0.00 C ATOM 1949 O ASP B 140 -12.183 -1.023 -14.067 1.00 0.00 O ATOM 1950 CB ASP B 140 -12.781 -3.820 -14.680 1.00 0.00 C ATOM 1951 CG ASP B 140 -13.660 -3.007 -15.611 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -14.881 -2.947 -15.400 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -13.143 -2.490 -16.632 1.00 0.00 O ATOM 0 H ASP B 140 -14.007 -2.223 -12.140 1.00 0.00 H new ATOM 0 HA ASP B 140 -11.890 -3.978 -12.800 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -11.805 -3.940 -15.151 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -13.214 -4.816 -14.586 1.00 0.00 H new ATOM 1958 N MET B 141 -11.156 -1.672 -12.223 1.00 0.00 N ATOM 1959 CA MET B 141 -10.571 -0.376 -11.980 1.00 0.00 C ATOM 1960 C MET B 141 -9.203 -0.271 -12.604 1.00 0.00 C ATOM 1961 O MET B 141 -8.657 0.804 -12.694 1.00 0.00 O ATOM 1962 CB MET B 141 -10.537 -0.100 -10.482 1.00 0.00 C ATOM 1963 CG MET B 141 -9.675 -1.055 -9.675 1.00 0.00 C ATOM 1964 SD MET B 141 -9.977 -0.980 -7.896 1.00 0.00 S ATOM 1965 CE MET B 141 -9.767 0.764 -7.543 1.00 0.00 C ATOM 0 H MET B 141 -10.909 -2.382 -11.533 1.00 0.00 H new ATOM 0 HA MET B 141 -11.189 0.387 -12.452 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.175 0.916 -10.323 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.556 -0.140 -10.097 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.853 -2.073 -10.022 1.00 0.00 H new ATOM 0 HG3 MET B 141 -8.625 -0.832 -9.866 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.088 0.885 -6.699 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.351 1.265 -8.417 1.00 0.00 H new ATOM 0 HE3 MET B 141 -10.733 1.205 -7.298 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.708 -1.421 -13.033 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.392 -1.670 -13.709 1.00 0.00 C ATOM 1977 C GLU B 142 -6.622 -0.407 -14.154 1.00 0.00 C ATOM 1978 O GLU B 142 -5.636 -0.012 -13.526 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.617 -2.551 -14.939 1.00 0.00 C ATOM 1980 CG GLU B 142 -8.224 -3.904 -14.651 1.00 0.00 C ATOM 1981 CD GLU B 142 -7.324 -4.770 -13.830 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -6.515 -5.523 -14.408 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -7.418 -4.737 -12.597 1.00 0.00 O ATOM 0 H GLU B 142 -9.236 -2.286 -12.921 1.00 0.00 H new ATOM 0 HA GLU B 142 -6.772 -2.151 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.266 -2.019 -15.635 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -6.661 -2.698 -15.442 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -9.171 -3.770 -14.128 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.448 -4.406 -15.592 1.00 0.00 H new ATOM 1990 N SER B 143 -7.098 0.213 -15.213 1.00 0.00 N ATOM 1991 CA SER B 143 -6.456 1.358 -15.828 1.00 0.00 C ATOM 1992 C SER B 143 -6.469 2.595 -14.910 1.00 0.00 C ATOM 1993 O SER B 143 -5.421 3.241 -14.678 1.00 0.00 O ATOM 1994 CB SER B 143 -7.217 1.648 -17.102 1.00 0.00 C ATOM 1995 OG SER B 143 -7.441 0.435 -17.814 1.00 0.00 O ATOM 0 H SER B 143 -7.959 -0.070 -15.681 1.00 0.00 H new ATOM 0 HA SER B 143 -5.407 1.133 -16.023 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.169 2.125 -16.868 1.00 0.00 H new ATOM 0 HB3 SER B 143 -6.655 2.346 -17.722 1.00 0.00 H new ATOM 0 HG SER B 143 -7.936 0.626 -18.638 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.634 2.869 -14.354 1.00 0.00 N ATOM 2002 CA ILE B 144 -7.869 4.040 -13.527 1.00 0.00 C ATOM 2003 C ILE B 144 -7.046 3.946 -12.251 1.00 0.00 C ATOM 2004 O ILE B 144 -6.376 4.908 -11.852 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.378 4.164 -13.167 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.231 4.178 -14.450 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.633 5.427 -12.338 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.730 4.196 -14.205 1.00 0.00 C ATOM 0 H ILE B 144 -8.457 2.276 -14.465 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.570 4.925 -14.089 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.664 3.300 -12.567 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -9.961 5.053 -15.042 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -9.983 3.300 -15.047 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.694 5.496 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.053 5.380 -11.416 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.334 6.305 -12.911 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.255 4.205 -15.160 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.017 3.308 -13.642 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -11.995 5.088 -13.637 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.054 2.763 -11.644 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.318 2.553 -10.431 1.00 0.00 C ATOM 2022 C ILE B 145 -4.835 2.628 -10.711 1.00 0.00 C ATOM 2023 O ILE B 145 -4.120 3.169 -9.941 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.687 1.228 -9.659 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.965 1.190 -8.300 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.346 -0.007 -10.467 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.238 -0.028 -7.452 1.00 0.00 C ATOM 0 H ILE B 145 -7.564 1.947 -11.981 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.610 3.357 -9.755 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.765 1.228 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.891 1.255 -8.477 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.248 2.077 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.615 -0.898 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -6.900 0.008 -11.405 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.277 -0.020 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.681 0.047 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.304 -0.088 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -5.926 -0.923 -7.990 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.399 2.133 -11.862 1.00 0.00 N ATOM 2040 CA ARG B 146 -2.989 2.204 -12.224 1.00 0.00 C ATOM 2041 C ARG B 146 -2.511 3.655 -12.177 1.00 0.00 C ATOM 2042 O ARG B 146 -1.536 3.973 -11.490 1.00 0.00 O ATOM 2043 CB ARG B 146 -2.756 1.596 -13.609 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.328 1.708 -14.107 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.164 1.047 -15.455 1.00 0.00 C ATOM 2046 NE ARG B 146 0.173 1.266 -15.999 1.00 0.00 N ATOM 2047 CZ ARG B 146 0.838 0.427 -16.790 1.00 0.00 C ATOM 2048 NH1 ARG B 146 0.354 -0.779 -17.057 1.00 0.00 N ATOM 2049 NH2 ARG B 146 2.012 0.784 -17.282 1.00 0.00 N ATOM 0 H ARG B 146 -4.995 1.682 -12.556 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.411 1.625 -11.504 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.038 0.543 -13.583 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.417 2.086 -14.324 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.047 2.759 -14.178 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -0.652 1.245 -13.388 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -1.349 -0.023 -15.362 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.909 1.440 -16.147 1.00 0.00 H new ATOM 0 HE ARG B 146 0.639 2.139 -15.751 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.536 -1.072 -16.655 1.00 0.00 H new ATOM 0 HH12 ARG B 146 0.872 -1.414 -17.665 1.00 0.00 H new ATOM 0 HH21 ARG B 146 2.404 1.698 -17.055 1.00 0.00 H new ATOM 0 HH22 ARG B 146 2.526 0.145 -17.889 1.00 0.00 H new ATOM 2063 N SER B 147 -3.260 4.523 -12.835 1.00 0.00 N ATOM 2064 CA SER B 147 -2.948 5.933 -12.895 1.00 0.00 C ATOM 2065 C SER B 147 -2.937 6.599 -11.503 1.00 0.00 C ATOM 2066 O SER B 147 -1.953 7.236 -11.118 1.00 0.00 O ATOM 2067 CB SER B 147 -3.969 6.603 -13.787 1.00 0.00 C ATOM 2068 OG SER B 147 -4.056 5.900 -15.020 1.00 0.00 O ATOM 0 H SER B 147 -4.105 4.264 -13.344 1.00 0.00 H new ATOM 0 HA SER B 147 -1.942 6.048 -13.298 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.942 6.619 -13.296 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.686 7.640 -13.967 1.00 0.00 H new ATOM 0 HG SER B 147 -4.638 5.119 -14.911 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.003 6.410 -10.753 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.164 7.078 -9.473 1.00 0.00 C ATOM 2076 C GLU B 148 -3.318 6.458 -8.364 1.00 0.00 C ATOM 2077 O GLU B 148 -2.668 7.169 -7.595 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.645 7.103 -9.082 1.00 0.00 C ATOM 2079 CG GLU B 148 -5.924 7.735 -7.732 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.385 7.968 -7.494 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.085 7.061 -7.041 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -7.867 9.074 -7.800 1.00 0.00 O ATOM 0 H GLU B 148 -4.777 5.796 -11.008 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.802 8.099 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.201 7.646 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.025 6.081 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.530 7.091 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.393 8.684 -7.663 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.301 5.163 -8.317 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.678 4.430 -7.244 1.00 0.00 C ATOM 2091 C LEU B 149 -1.165 4.442 -7.360 1.00 0.00 C ATOM 2092 O LEU B 149 -0.490 4.626 -6.357 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.268 2.992 -7.224 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.018 2.013 -6.052 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -1.583 1.586 -5.920 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -3.562 2.545 -4.742 1.00 0.00 C ATOM 0 H LEU B 149 -3.724 4.570 -9.031 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.896 4.912 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.349 3.096 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -2.914 2.496 -8.127 1.00 0.00 H new ATOM 0 HG LEU B 149 -3.577 1.112 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -1.483 0.901 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -1.267 1.085 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -0.957 2.462 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -3.364 1.826 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -3.076 3.491 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -4.637 2.701 -4.831 1.00 0.00 H new ATOM 2108 N MET B 150 -0.596 4.258 -8.565 1.00 0.00 N ATOM 2109 CA MET B 150 0.862 4.174 -8.604 1.00 0.00 C ATOM 2110 C MET B 150 1.518 4.411 -9.973 1.00 0.00 C ATOM 2111 O MET B 150 2.590 3.836 -10.249 1.00 0.00 O ATOM 2112 CB MET B 150 1.313 2.821 -8.048 1.00 0.00 C ATOM 2113 CG MET B 150 1.021 1.575 -8.933 1.00 0.00 C ATOM 2114 SD MET B 150 -0.730 1.222 -9.240 1.00 0.00 S ATOM 2115 CE MET B 150 -0.581 -0.176 -10.346 1.00 0.00 C ATOM 0 H MET B 150 -1.083 4.171 -9.457 1.00 0.00 H new ATOM 0 HA MET B 150 1.203 5.004 -7.985 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.387 2.867 -7.867 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.833 2.673 -7.081 1.00 0.00 H new ATOM 0 HG2 MET B 150 1.519 1.709 -9.893 1.00 0.00 H new ATOM 0 HG3 MET B 150 1.471 0.702 -8.460 1.00 0.00 H new ATOM 0 HE1 MET B 150 -1.575 -0.520 -10.634 1.00 0.00 H new ATOM 0 HE2 MET B 150 -0.028 0.122 -11.237 1.00 0.00 H new ATOM 0 HE3 MET B 150 -0.050 -0.983 -9.842 1.00 0.00 H new ATOM 2125 N ASP B 151 0.956 5.261 -10.808 1.00 0.00 N ATOM 2126 CA ASP B 151 1.625 5.551 -12.083 1.00 0.00 C ATOM 2127 C ASP B 151 2.921 6.311 -11.851 1.00 0.00 C ATOM 2128 O ASP B 151 2.920 7.382 -11.240 1.00 0.00 O ATOM 2129 CB ASP B 151 0.745 6.304 -13.070 1.00 0.00 C ATOM 2130 CG ASP B 151 1.513 6.679 -14.324 1.00 0.00 C ATOM 2131 OD1 ASP B 151 1.939 5.774 -15.073 1.00 0.00 O ATOM 2132 OD2 ASP B 151 1.742 7.880 -14.564 1.00 0.00 O ATOM 0 H ASP B 151 0.076 5.751 -10.649 1.00 0.00 H new ATOM 0 HA ASP B 151 1.845 4.584 -12.534 1.00 0.00 H new ATOM 0 HB2 ASP B 151 -0.113 5.688 -13.338 1.00 0.00 H new ATOM 0 HB3 ASP B 151 0.355 7.205 -12.597 1.00 0.00 H new ATOM 2137 N ALA B 152 4.014 5.732 -12.302 1.00 0.00 N ATOM 2138 CA ALA B 152 5.327 6.306 -12.132 1.00 0.00 C ATOM 2139 C ALA B 152 5.501 7.507 -13.044 1.00 0.00 C ATOM 2140 O ALA B 152 5.377 8.644 -12.570 1.00 0.00 O ATOM 2141 CB ALA B 152 6.404 5.260 -12.388 1.00 0.00 C ATOM 2142 OXT ALA B 152 5.715 7.326 -14.263 1.00 0.00 O ATOM 0 H ALA B 152 4.013 4.842 -12.801 1.00 0.00 H new ATOM 0 HA ALA B 152 5.429 6.647 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA B 152 7.388 5.711 -12.255 1.00 0.00 H new ATOM 0 HB2 ALA B 152 6.285 4.435 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA B 152 6.311 4.884 -13.407 1.00 0.00 H new TER 2148 ALA B 152