USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 818 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 96 SER OG : rot -21:sc= 0.0301! USER MOD Set 1.2: A 102 SER OG : rot 163:sc= -1.33! USER MOD Set 2.1: A 28 TYR OH : rot 161:sc= 0.738 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.164 K(o=0.57,f=-0.13) USER MOD Set 3.1: A 30 MET CE :methyl -131:sc= -0.0159 (180deg=0) USER MOD Set 3.2: A 37 MET CE :methyl -162:sc= -1.74! (180deg=-1.84) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0796 (180deg=-0.579) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.23 (180deg=1.11) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0686 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.906 K(o=-0.91,f=-4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 22 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.897) USER MOD Single : A 32 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.6) USER MOD Single : A 33 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.037) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= -0.0021 (180deg=-0.103) USER MOD Single : A 41 HIS : no HD1:sc= -0.0813 K(o=-0.081,f=-1.8) USER MOD Single : A 42 THR OG1 : rot 122:sc= -0.0897 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0653 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.436 (180deg=-1.03) USER MOD Single : A 55 SER OG : rot 180:sc= -0.26 USER MOD Single : A 56 HIS : no HD1:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 58 CYS SG : rot -77:sc= 0.359 USER MOD Single : A 66 SER OG : rot -98:sc= 1.26 USER MOD Single : A 67 SER OG : rot 101:sc= 1.28 USER MOD Single : A 68 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-0.12) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -99:sc= -2.68 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00615 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -90:sc= -1.89! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.962 K(o=0.96,f=-2.7!) USER MOD Single : A 89 SER OG : rot 79:sc= 0.983 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= 1.26 (180deg=0.612) USER MOD Single : A 101 SER OG : rot 11:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.843 8.983 -14.501 1.00 7.43 N ATOM 2 CA MET A 1 14.125 9.982 -13.681 1.00 7.42 C ATOM 3 C MET A 1 14.467 9.774 -12.209 1.00 7.11 C ATOM 4 O MET A 1 15.014 8.737 -11.842 1.00 7.15 O ATOM 5 CB MET A 1 12.614 9.835 -13.917 1.00 7.88 C ATOM 6 CG MET A 1 11.751 10.871 -13.212 1.00 8.36 C ATOM 7 SD MET A 1 12.126 12.559 -13.718 1.00 9.39 S ATOM 8 CE MET A 1 11.767 12.477 -15.471 1.00 9.95 C ATOM 0 H1 MET A 1 14.705 9.198 -15.509 1.00 7.43 H new ATOM 0 H2 MET A 1 15.858 9.014 -14.276 1.00 7.43 H new ATOM 0 H3 MET A 1 14.472 8.034 -14.295 1.00 7.43 H new ATOM 0 HA MET A 1 14.429 10.989 -13.966 1.00 7.42 H new ATOM 0 HB2 MET A 1 12.421 9.891 -14.988 1.00 7.88 H new ATOM 0 HB3 MET A 1 12.305 8.842 -13.589 1.00 7.88 H new ATOM 0 HG2 MET A 1 10.701 10.661 -13.416 1.00 8.36 H new ATOM 0 HG3 MET A 1 11.891 10.781 -12.135 1.00 8.36 H new ATOM 0 HE1 MET A 1 11.621 13.485 -15.860 1.00 9.95 H new ATOM 0 HE2 MET A 1 12.600 12.004 -15.991 1.00 9.95 H new ATOM 0 HE3 MET A 1 10.861 11.892 -15.630 1.00 9.95 H new ATOM 20 N ALA A 2 14.185 10.764 -11.371 1.00 7.11 N ATOM 21 CA ALA A 2 14.391 10.618 -9.935 1.00 7.16 C ATOM 22 C ALA A 2 13.394 9.617 -9.364 1.00 6.34 C ATOM 23 O ALA A 2 13.747 8.751 -8.564 1.00 6.43 O ATOM 24 CB ALA A 2 14.255 11.961 -9.237 1.00 7.97 C ATOM 0 H ALA A 2 13.816 11.670 -11.658 1.00 7.11 H new ATOM 0 HA ALA A 2 15.401 10.245 -9.763 1.00 7.16 H new ATOM 0 HB1 ALA A 2 14.412 11.832 -8.166 1.00 7.97 H new ATOM 0 HB2 ALA A 2 14.999 12.653 -9.632 1.00 7.97 H new ATOM 0 HB3 ALA A 2 13.257 12.362 -9.412 1.00 7.97 H new ATOM 30 N THR A 3 12.151 9.743 -9.796 1.00 5.73 N ATOM 31 CA THR A 3 11.093 8.842 -9.379 1.00 5.02 C ATOM 32 C THR A 3 11.032 7.612 -10.283 1.00 3.93 C ATOM 33 O THR A 3 10.170 7.503 -11.159 1.00 3.57 O ATOM 34 CB THR A 3 9.739 9.570 -9.383 1.00 5.39 C ATOM 35 OG1 THR A 3 9.712 10.523 -10.458 1.00 6.16 O ATOM 36 CG2 THR A 3 9.501 10.280 -8.060 1.00 5.37 C ATOM 0 H THR A 3 11.848 10.471 -10.444 1.00 5.73 H new ATOM 0 HA THR A 3 11.313 8.509 -8.365 1.00 5.02 H new ATOM 0 HB THR A 3 8.948 8.833 -9.523 1.00 5.39 H new ATOM 0 HG1 THR A 3 8.849 10.987 -10.463 1.00 6.16 H new ATOM 0 HG21 THR A 3 8.537 10.788 -8.088 1.00 5.37 H new ATOM 0 HG22 THR A 3 9.504 9.551 -7.250 1.00 5.37 H new ATOM 0 HG23 THR A 3 10.291 11.012 -7.892 1.00 5.37 H new ATOM 44 N GLU A 4 11.978 6.705 -10.088 1.00 3.59 N ATOM 45 CA GLU A 4 12.035 5.470 -10.860 1.00 2.75 C ATOM 46 C GLU A 4 11.079 4.433 -10.286 1.00 1.95 C ATOM 47 O GLU A 4 10.844 4.404 -9.076 1.00 2.29 O ATOM 48 CB GLU A 4 13.457 4.902 -10.859 1.00 3.20 C ATOM 49 CG GLU A 4 14.469 5.765 -11.595 1.00 4.01 C ATOM 50 CD GLU A 4 14.210 5.837 -13.086 1.00 4.54 C ATOM 51 OE1 GLU A 4 14.664 4.939 -13.822 1.00 5.13 O ATOM 52 OE2 GLU A 4 13.535 6.789 -13.528 1.00 4.73 O ATOM 0 H GLU A 4 12.722 6.802 -9.397 1.00 3.59 H new ATOM 0 HA GLU A 4 11.740 5.701 -11.884 1.00 2.75 H new ATOM 0 HB2 GLU A 4 13.786 4.775 -9.827 1.00 3.20 H new ATOM 0 HB3 GLU A 4 13.442 3.911 -11.313 1.00 3.20 H new ATOM 0 HG2 GLU A 4 14.450 6.772 -11.179 1.00 4.01 H new ATOM 0 HG3 GLU A 4 15.470 5.368 -11.424 1.00 4.01 H new ATOM 59 N PRO A 5 10.501 3.582 -11.148 1.00 1.30 N ATOM 60 CA PRO A 5 9.687 2.451 -10.711 1.00 1.21 C ATOM 61 C PRO A 5 10.525 1.446 -9.922 1.00 0.86 C ATOM 62 O PRO A 5 11.398 0.777 -10.481 1.00 0.92 O ATOM 63 CB PRO A 5 9.181 1.824 -12.017 1.00 1.76 C ATOM 64 CG PRO A 5 9.390 2.869 -13.060 1.00 1.77 C ATOM 65 CD PRO A 5 10.582 3.664 -12.614 1.00 1.57 C ATOM 0 HA PRO A 5 8.877 2.756 -10.049 1.00 1.21 H new ATOM 0 HB2 PRO A 5 9.731 0.914 -12.256 1.00 1.76 H new ATOM 0 HB3 PRO A 5 8.129 1.549 -11.940 1.00 1.76 H new ATOM 0 HG2 PRO A 5 9.565 2.417 -14.036 1.00 1.77 H new ATOM 0 HG3 PRO A 5 8.510 3.505 -13.157 1.00 1.77 H new ATOM 0 HD2 PRO A 5 11.513 3.242 -12.991 1.00 1.57 H new ATOM 0 HD3 PRO A 5 10.534 4.695 -12.964 1.00 1.57 H new ATOM 73 N PRO A 6 10.271 1.337 -8.613 1.00 0.66 N ATOM 74 CA PRO A 6 11.082 0.522 -7.703 1.00 0.47 C ATOM 75 C PRO A 6 10.918 -0.975 -7.949 1.00 0.48 C ATOM 76 O PRO A 6 10.047 -1.404 -8.714 1.00 0.62 O ATOM 77 CB PRO A 6 10.554 0.895 -6.307 1.00 0.59 C ATOM 78 CG PRO A 6 9.683 2.090 -6.510 1.00 0.87 C ATOM 79 CD PRO A 6 9.164 1.991 -7.910 1.00 0.84 C ATOM 0 HA PRO A 6 12.146 0.716 -7.836 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.992 0.071 -5.868 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.374 1.120 -5.625 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.864 2.102 -5.791 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.247 3.012 -6.367 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.247 1.404 -7.962 1.00 0.84 H new ATOM 0 HD3 PRO A 6 8.939 2.972 -8.330 1.00 0.84 H new ATOM 87 N LYS A 7 11.744 -1.773 -7.279 1.00 0.45 N ATOM 88 CA LYS A 7 11.706 -3.215 -7.433 1.00 0.52 C ATOM 89 C LYS A 7 11.103 -3.786 -6.174 1.00 0.42 C ATOM 90 O LYS A 7 11.813 -4.093 -5.216 1.00 0.42 O ATOM 91 CB LYS A 7 13.110 -3.805 -7.649 1.00 0.65 C ATOM 92 CG LYS A 7 13.918 -3.177 -8.781 1.00 1.24 C ATOM 93 CD LYS A 7 13.436 -3.614 -10.157 1.00 1.37 C ATOM 94 CE LYS A 7 12.208 -2.842 -10.603 1.00 1.70 C ATOM 95 NZ LYS A 7 11.759 -3.243 -11.959 1.00 2.49 N ATOM 0 H LYS A 7 12.449 -1.439 -6.622 1.00 0.45 H new ATOM 0 HA LYS A 7 11.114 -3.470 -8.312 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.675 -3.703 -6.722 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.010 -4.873 -7.846 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.857 -2.091 -8.707 1.00 1.24 H new ATOM 0 HG3 LYS A 7 14.968 -3.446 -8.666 1.00 1.24 H new ATOM 0 HD2 LYS A 7 14.236 -3.472 -10.883 1.00 1.37 H new ATOM 0 HD3 LYS A 7 13.207 -4.680 -10.139 1.00 1.37 H new ATOM 0 HE2 LYS A 7 11.399 -3.005 -9.891 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.429 -1.775 -10.596 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.918 -2.691 -12.224 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 12.521 -3.064 -12.644 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 11.523 -4.256 -11.961 1.00 2.49 H new ATOM 109 N ILE A 8 9.793 -3.871 -6.148 1.00 0.41 N ATOM 110 CA ILE A 8 9.113 -4.232 -4.933 1.00 0.34 C ATOM 111 C ILE A 8 8.911 -5.737 -4.865 1.00 0.36 C ATOM 112 O ILE A 8 8.277 -6.338 -5.737 1.00 0.48 O ATOM 113 CB ILE A 8 7.763 -3.502 -4.795 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.938 -1.999 -5.060 1.00 0.72 C ATOM 115 CG2 ILE A 8 7.201 -3.724 -3.400 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.770 -1.284 -4.013 1.00 0.39 C ATOM 0 H ILE A 8 9.185 -3.696 -6.948 1.00 0.41 H new ATOM 0 HA ILE A 8 9.742 -3.921 -4.099 1.00 0.34 H new ATOM 0 HB ILE A 8 7.067 -3.905 -5.531 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.405 -1.864 -6.036 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.954 -1.532 -5.110 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.246 -3.206 -3.306 1.00 0.36 H new ATOM 0 HG22 ILE A 8 7.053 -4.791 -3.233 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.900 -3.334 -2.660 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.848 -0.228 -4.270 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.294 -1.386 -3.038 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.767 -1.724 -3.978 1.00 0.39 H new ATOM 128 N VAL A 9 9.463 -6.336 -3.829 1.00 0.31 N ATOM 129 CA VAL A 9 9.430 -7.772 -3.656 1.00 0.36 C ATOM 130 C VAL A 9 8.279 -8.162 -2.760 1.00 0.34 C ATOM 131 O VAL A 9 8.119 -7.618 -1.670 1.00 0.47 O ATOM 132 CB VAL A 9 10.738 -8.283 -3.033 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.754 -9.802 -2.964 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.920 -7.757 -3.815 1.00 0.86 C ATOM 0 H VAL A 9 9.948 -5.838 -3.082 1.00 0.31 H new ATOM 0 HA VAL A 9 9.305 -8.222 -4.641 1.00 0.36 H new ATOM 0 HB VAL A 9 10.807 -7.912 -2.010 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.691 -10.136 -2.519 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.919 -10.147 -2.354 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.663 -10.213 -3.969 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.844 -8.123 -3.368 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.855 -8.101 -4.847 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.914 -6.667 -3.794 1.00 0.86 H new ATOM 144 N TRP A 10 7.478 -9.094 -3.212 1.00 0.33 N ATOM 145 CA TRP A 10 6.371 -9.561 -2.418 1.00 0.31 C ATOM 146 C TRP A 10 6.835 -10.651 -1.465 1.00 0.34 C ATOM 147 O TRP A 10 7.345 -11.693 -1.884 1.00 0.42 O ATOM 148 CB TRP A 10 5.247 -10.062 -3.317 1.00 0.38 C ATOM 149 CG TRP A 10 4.076 -10.599 -2.551 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.612 -10.149 -1.347 1.00 0.40 C ATOM 151 CD2 TRP A 10 3.219 -11.677 -2.934 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.528 -10.886 -0.954 1.00 0.46 N ATOM 153 CE2 TRP A 10 2.261 -11.828 -1.915 1.00 0.52 C ATOM 154 CE3 TRP A 10 3.167 -12.529 -4.041 1.00 0.60 C ATOM 155 CZ2 TRP A 10 1.264 -12.798 -1.969 1.00 0.62 C ATOM 156 CZ3 TRP A 10 2.177 -13.490 -4.095 1.00 0.71 C ATOM 157 CH2 TRP A 10 1.236 -13.616 -3.065 1.00 0.72 C ATOM 0 H TRP A 10 7.572 -9.543 -4.123 1.00 0.33 H new ATOM 0 HA TRP A 10 5.984 -8.731 -1.826 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.911 -9.246 -3.958 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.634 -10.843 -3.972 1.00 0.38 H new ATOM 0 HD1 TRP A 10 4.039 -9.330 -0.787 1.00 0.40 H new ATOM 0 HE1 TRP A 10 2.004 -10.756 -0.088 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.888 -12.437 -4.840 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.539 -12.901 -1.175 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 2.127 -14.155 -4.945 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.472 -14.376 -3.138 1.00 0.72 H new ATOM 168 N ASN A 11 6.675 -10.389 -0.182 1.00 0.34 N ATOM 169 CA ASN A 11 7.007 -11.352 0.844 1.00 0.43 C ATOM 170 C ASN A 11 5.721 -11.992 1.343 1.00 0.45 C ATOM 171 O ASN A 11 5.102 -11.498 2.288 1.00 0.46 O ATOM 172 CB ASN A 11 7.741 -10.676 2.000 1.00 0.47 C ATOM 173 CG ASN A 11 8.482 -11.670 2.872 1.00 0.63 C ATOM 174 OD1 ASN A 11 8.069 -12.819 3.027 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.592 -11.236 3.433 1.00 1.08 N ATOM 0 H ASN A 11 6.312 -9.505 0.175 1.00 0.34 H new ATOM 0 HA ASN A 11 7.666 -12.114 0.428 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.448 -9.948 1.602 1.00 0.47 H new ATOM 0 HB3 ASN A 11 7.025 -10.125 2.609 1.00 0.47 H new ATOM 0 HD21 ASN A 11 10.144 -11.860 4.021 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.900 -10.276 3.279 1.00 1.08 H new ATOM 182 N GLU A 12 5.298 -13.063 0.683 1.00 0.53 N ATOM 183 CA GLU A 12 4.028 -13.703 1.004 1.00 0.59 C ATOM 184 C GLU A 12 4.085 -14.379 2.367 1.00 0.62 C ATOM 185 O GLU A 12 3.057 -14.587 3.011 1.00 0.65 O ATOM 186 CB GLU A 12 3.634 -14.710 -0.079 1.00 0.76 C ATOM 187 CG GLU A 12 4.609 -15.859 -0.254 1.00 1.09 C ATOM 188 CD GLU A 12 4.137 -16.847 -1.297 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.147 -17.558 -1.037 1.00 1.71 O ATOM 190 OE2 GLU A 12 4.756 -16.923 -2.378 1.00 1.92 O ATOM 0 H GLU A 12 5.815 -13.506 -0.077 1.00 0.53 H new ATOM 0 HA GLU A 12 3.265 -12.926 1.042 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.652 -15.117 0.161 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.538 -14.184 -1.029 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.584 -15.466 -0.541 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.740 -16.372 0.699 1.00 1.09 H new ATOM 197 N GLY A 13 5.295 -14.699 2.811 1.00 0.65 N ATOM 198 CA GLY A 13 5.476 -15.276 4.129 1.00 0.73 C ATOM 199 C GLY A 13 5.196 -14.274 5.231 1.00 0.70 C ATOM 200 O GLY A 13 5.003 -14.649 6.389 1.00 0.80 O ATOM 0 H GLY A 13 6.156 -14.569 2.280 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.814 -16.134 4.243 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.497 -15.646 4.226 1.00 0.73 H new ATOM 204 N LYS A 14 5.176 -12.997 4.873 1.00 0.59 N ATOM 205 CA LYS A 14 4.882 -11.939 5.829 1.00 0.59 C ATOM 206 C LYS A 14 3.596 -11.225 5.442 1.00 0.51 C ATOM 207 O LYS A 14 3.101 -10.379 6.190 1.00 0.55 O ATOM 208 CB LYS A 14 6.017 -10.910 5.875 1.00 0.61 C ATOM 209 CG LYS A 14 7.400 -11.505 6.062 1.00 0.86 C ATOM 210 CD LYS A 14 7.501 -12.298 7.345 1.00 1.21 C ATOM 211 CE LYS A 14 8.885 -12.894 7.513 1.00 1.26 C ATOM 212 NZ LYS A 14 8.967 -13.756 8.720 1.00 1.79 N ATOM 0 H LYS A 14 5.360 -12.669 3.925 1.00 0.59 H new ATOM 0 HA LYS A 14 4.774 -12.400 6.811 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.005 -10.334 4.950 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.823 -10.211 6.688 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.635 -12.151 5.216 1.00 0.86 H new ATOM 0 HG3 LYS A 14 8.142 -10.706 6.069 1.00 0.86 H new ATOM 0 HD2 LYS A 14 7.275 -11.652 8.194 1.00 1.21 H new ATOM 0 HD3 LYS A 14 6.757 -13.094 7.343 1.00 1.21 H new ATOM 0 HE2 LYS A 14 9.139 -13.479 6.629 1.00 1.26 H new ATOM 0 HE3 LYS A 14 9.620 -12.093 7.587 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.927 -14.146 8.803 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 8.748 -13.191 9.565 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.283 -14.535 8.638 1.00 1.79 H new ATOM 226 N ARG A 15 3.062 -11.579 4.272 1.00 0.45 N ATOM 227 CA ARG A 15 1.929 -10.868 3.688 1.00 0.44 C ATOM 228 C ARG A 15 2.266 -9.392 3.533 1.00 0.37 C ATOM 229 O ARG A 15 1.547 -8.525 4.030 1.00 0.52 O ATOM 230 CB ARG A 15 0.674 -11.029 4.549 1.00 0.56 C ATOM 231 CG ARG A 15 0.092 -12.428 4.540 1.00 0.66 C ATOM 232 CD ARG A 15 -1.108 -12.525 5.462 1.00 0.87 C ATOM 233 NE ARG A 15 -1.832 -13.779 5.294 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.025 -14.663 6.269 1.00 2.36 C ATOM 235 NH1 ARG A 15 -1.494 -14.464 7.469 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.742 -15.748 6.040 1.00 3.42 N ATOM 0 H ARG A 15 3.400 -12.359 3.709 1.00 0.45 H new ATOM 0 HA ARG A 15 1.727 -11.298 2.707 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.913 -10.753 5.576 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.085 -10.329 4.200 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.202 -12.696 3.525 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.853 -13.144 4.851 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -0.777 -12.434 6.497 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.781 -11.690 5.268 1.00 0.87 H new ATOM 0 HE ARG A 15 -2.214 -13.992 4.372 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -0.935 -13.630 7.647 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -1.645 -15.145 8.213 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -3.146 -15.907 5.117 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -2.891 -16.427 6.786 1.00 3.42 H new ATOM 250 N ARG A 16 3.366 -9.105 2.853 1.00 0.27 N ATOM 251 CA ARG A 16 3.817 -7.735 2.724 1.00 0.24 C ATOM 252 C ARG A 16 4.646 -7.535 1.463 1.00 0.23 C ATOM 253 O ARG A 16 5.148 -8.495 0.881 1.00 0.29 O ATOM 254 CB ARG A 16 4.632 -7.355 3.958 1.00 0.33 C ATOM 255 CG ARG A 16 6.075 -7.828 3.936 1.00 0.55 C ATOM 256 CD ARG A 16 6.833 -7.336 5.157 1.00 0.68 C ATOM 257 NE ARG A 16 8.241 -7.731 5.124 1.00 0.91 N ATOM 258 CZ ARG A 16 9.041 -7.771 6.189 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.589 -7.422 7.390 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.303 -8.146 6.041 1.00 1.86 N ATOM 0 H ARG A 16 3.954 -9.796 2.388 1.00 0.27 H new ATOM 0 HA ARG A 16 2.942 -7.090 2.645 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.621 -6.270 4.064 1.00 0.33 H new ATOM 0 HB3 ARG A 16 4.142 -7.766 4.841 1.00 0.33 H new ATOM 0 HG2 ARG A 16 6.103 -8.917 3.902 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.565 -7.468 3.031 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.762 -6.250 5.214 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.366 -7.734 6.058 1.00 0.68 H new ATOM 0 HE ARG A 16 8.638 -7.994 4.222 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.621 -7.120 7.503 1.00 1.02 H new ATOM 0 HH12 ARG A 16 9.210 -7.456 8.198 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.654 -8.401 5.118 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.923 -8.180 6.850 1.00 1.86 H new ATOM 274 N PHE A 17 4.782 -6.287 1.046 1.00 0.23 N ATOM 275 CA PHE A 17 5.638 -5.945 -0.079 1.00 0.24 C ATOM 276 C PHE A 17 6.843 -5.172 0.432 1.00 0.30 C ATOM 277 O PHE A 17 6.706 -4.306 1.292 1.00 0.55 O ATOM 278 CB PHE A 17 4.897 -5.096 -1.116 1.00 0.28 C ATOM 279 CG PHE A 17 3.578 -5.662 -1.550 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.523 -6.742 -2.413 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.393 -5.110 -1.093 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.309 -7.263 -2.815 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.175 -5.627 -1.491 1.00 0.40 C ATOM 284 CZ PHE A 17 1.134 -6.705 -2.354 1.00 0.41 C ATOM 0 H PHE A 17 4.308 -5.490 1.472 1.00 0.23 H new ATOM 0 HA PHE A 17 5.951 -6.870 -0.563 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.733 -4.101 -0.703 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.534 -4.977 -1.993 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.440 -7.182 -2.776 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.421 -4.267 -0.419 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.279 -8.106 -3.489 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.257 -5.189 -1.128 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.183 -7.111 -2.668 1.00 0.41 H new ATOM 294 N GLU A 18 8.009 -5.491 -0.095 1.00 0.22 N ATOM 295 CA GLU A 18 9.255 -4.879 0.339 1.00 0.25 C ATOM 296 C GLU A 18 9.973 -4.228 -0.824 1.00 0.29 C ATOM 297 O GLU A 18 10.130 -4.829 -1.874 1.00 0.39 O ATOM 298 CB GLU A 18 10.148 -5.942 0.968 1.00 0.34 C ATOM 299 CG GLU A 18 10.069 -5.988 2.480 1.00 1.08 C ATOM 300 CD GLU A 18 10.813 -7.170 3.072 1.00 0.96 C ATOM 301 OE1 GLU A 18 10.193 -8.245 3.244 1.00 1.16 O ATOM 302 OE2 GLU A 18 12.015 -7.029 3.381 1.00 0.85 O ATOM 0 H GLU A 18 8.122 -6.182 -0.837 1.00 0.22 H new ATOM 0 HA GLU A 18 9.027 -4.106 1.073 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.872 -6.918 0.569 1.00 0.34 H new ATOM 0 HB3 GLU A 18 11.181 -5.757 0.673 1.00 0.34 H new ATOM 0 HG2 GLU A 18 10.479 -5.065 2.889 1.00 1.08 H new ATOM 0 HG3 GLU A 18 9.023 -6.034 2.783 1.00 1.08 H new ATOM 309 N THR A 19 10.407 -2.997 -0.636 1.00 0.25 N ATOM 310 CA THR A 19 11.191 -2.320 -1.649 1.00 0.29 C ATOM 311 C THR A 19 12.538 -3.030 -1.806 1.00 0.35 C ATOM 312 O THR A 19 12.914 -3.859 -0.971 1.00 0.37 O ATOM 313 CB THR A 19 11.405 -0.830 -1.281 1.00 0.33 C ATOM 314 OG1 THR A 19 12.030 -0.126 -2.365 1.00 0.46 O ATOM 315 CG2 THR A 19 12.258 -0.701 -0.032 1.00 0.37 C ATOM 0 H THR A 19 10.231 -2.448 0.205 1.00 0.25 H new ATOM 0 HA THR A 19 10.650 -2.355 -2.595 1.00 0.29 H new ATOM 0 HB THR A 19 10.427 -0.390 -1.088 1.00 0.33 H new ATOM 0 HG1 THR A 19 12.156 0.813 -2.116 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.395 0.353 0.208 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.762 -1.201 0.800 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.230 -1.163 -0.206 1.00 0.37 H new ATOM 323 N GLU A 20 13.268 -2.685 -2.858 1.00 0.43 N ATOM 324 CA GLU A 20 14.575 -3.278 -3.135 1.00 0.53 C ATOM 325 C GLU A 20 15.590 -2.864 -2.079 1.00 0.56 C ATOM 326 O GLU A 20 16.747 -3.281 -2.095 1.00 0.68 O ATOM 327 CB GLU A 20 15.030 -2.840 -4.525 1.00 0.62 C ATOM 328 CG GLU A 20 15.171 -1.336 -4.673 1.00 0.77 C ATOM 329 CD GLU A 20 15.286 -0.904 -6.118 1.00 1.31 C ATOM 330 OE1 GLU A 20 16.372 -1.073 -6.709 1.00 1.83 O ATOM 331 OE2 GLU A 20 14.287 -0.389 -6.663 1.00 1.90 O ATOM 0 H GLU A 20 12.975 -1.989 -3.543 1.00 0.43 H new ATOM 0 HA GLU A 20 14.495 -4.365 -3.104 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.988 -3.310 -4.749 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.315 -3.204 -5.263 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.309 -0.847 -4.219 1.00 0.77 H new ATOM 0 HG3 GLU A 20 16.052 -1.001 -4.126 1.00 0.77 H new ATOM 338 N ASP A 21 15.115 -2.061 -1.151 1.00 0.52 N ATOM 339 CA ASP A 21 15.927 -1.525 -0.079 1.00 0.60 C ATOM 340 C ASP A 21 15.608 -2.244 1.229 1.00 0.54 C ATOM 341 O ASP A 21 16.409 -2.255 2.161 1.00 0.59 O ATOM 342 CB ASP A 21 15.664 -0.018 -0.021 1.00 0.67 C ATOM 343 CG ASP A 21 16.044 0.636 1.279 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.244 0.921 1.454 1.00 1.39 O ATOM 345 OD2 ASP A 21 15.170 0.792 2.153 1.00 1.31 O ATOM 0 H ASP A 21 14.142 -1.758 -1.119 1.00 0.52 H new ATOM 0 HA ASP A 21 16.991 -1.687 -0.253 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.214 0.464 -0.829 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.605 0.160 -0.206 1.00 0.67 H new ATOM 350 N HIS A 22 14.431 -2.874 1.258 1.00 0.45 N ATOM 351 CA HIS A 22 14.000 -3.756 2.351 1.00 0.45 C ATOM 352 C HIS A 22 13.808 -3.043 3.687 1.00 0.44 C ATOM 353 O HIS A 22 13.331 -3.649 4.647 1.00 0.51 O ATOM 354 CB HIS A 22 14.957 -4.936 2.509 1.00 0.57 C ATOM 355 CG HIS A 22 14.784 -5.970 1.439 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.904 -7.022 1.554 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.367 -6.101 0.223 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.954 -7.759 0.462 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.832 -7.223 -0.364 1.00 0.82 N ATOM 0 H HIS A 22 13.739 -2.786 0.514 1.00 0.45 H new ATOM 0 HA HIS A 22 13.015 -4.122 2.060 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.984 -4.570 2.492 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.799 -5.398 3.484 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.305 -7.203 2.360 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.112 -5.447 -0.205 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.374 -8.651 0.275 1.00 0.76 H new ATOM 368 N GLU A 23 14.172 -1.774 3.761 1.00 0.47 N ATOM 369 CA GLU A 23 13.884 -0.992 4.948 1.00 0.52 C ATOM 370 C GLU A 23 12.472 -0.436 4.844 1.00 0.40 C ATOM 371 O GLU A 23 11.844 -0.089 5.845 1.00 0.49 O ATOM 372 CB GLU A 23 14.882 0.150 5.115 1.00 0.69 C ATOM 373 CG GLU A 23 16.339 -0.268 5.016 1.00 0.84 C ATOM 374 CD GLU A 23 17.256 0.738 5.680 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.500 1.809 5.079 1.00 2.28 O ATOM 376 OE2 GLU A 23 17.761 0.466 6.791 1.00 1.72 O ATOM 0 H GLU A 23 14.662 -1.269 3.022 1.00 0.47 H new ATOM 0 HA GLU A 23 13.969 -1.638 5.822 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.681 0.905 4.355 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.717 0.621 6.084 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.470 -1.244 5.483 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.616 -0.377 3.967 1.00 0.84 H new ATOM 383 N ALA A 24 11.985 -0.366 3.614 1.00 0.29 N ATOM 384 CA ALA A 24 10.635 0.085 3.343 1.00 0.22 C ATOM 385 C ALA A 24 9.764 -1.085 2.916 1.00 0.17 C ATOM 386 O ALA A 24 10.116 -1.833 1.998 1.00 0.19 O ATOM 387 CB ALA A 24 10.641 1.162 2.271 1.00 0.26 C ATOM 0 H ALA A 24 12.515 -0.620 2.781 1.00 0.29 H new ATOM 0 HA ALA A 24 10.220 0.511 4.257 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.619 1.490 2.079 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.237 2.010 2.610 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.071 0.760 1.354 1.00 0.26 H new ATOM 393 N PHE A 25 8.636 -1.234 3.582 1.00 0.14 N ATOM 394 CA PHE A 25 7.714 -2.324 3.308 1.00 0.15 C ATOM 395 C PHE A 25 6.298 -1.927 3.691 1.00 0.15 C ATOM 396 O PHE A 25 6.092 -0.971 4.444 1.00 0.17 O ATOM 397 CB PHE A 25 8.107 -3.587 4.081 1.00 0.23 C ATOM 398 CG PHE A 25 8.283 -3.386 5.562 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.509 -2.995 6.082 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.221 -3.575 6.433 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.672 -2.803 7.440 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.379 -3.382 7.791 1.00 0.49 C ATOM 403 CZ PHE A 25 8.611 -3.031 8.299 1.00 0.52 C ATOM 0 H PHE A 25 8.331 -0.607 4.326 1.00 0.14 H new ATOM 0 HA PHE A 25 7.760 -2.535 2.240 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.344 -4.348 3.919 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.038 -3.975 3.667 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.345 -2.839 5.417 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.259 -3.877 6.045 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.624 -2.476 7.830 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.537 -3.506 8.455 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.748 -2.934 9.366 1.00 0.52 H new ATOM 413 N ILE A 26 5.330 -2.662 3.176 1.00 0.20 N ATOM 414 CA ILE A 26 3.949 -2.483 3.577 1.00 0.23 C ATOM 415 C ILE A 26 3.349 -3.828 3.936 1.00 0.23 C ATOM 416 O ILE A 26 3.531 -4.802 3.206 1.00 0.26 O ATOM 417 CB ILE A 26 3.107 -1.773 2.483 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.427 -0.559 3.101 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.072 -2.698 1.834 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.432 0.122 2.190 1.00 0.73 C ATOM 0 H ILE A 26 5.476 -3.390 2.477 1.00 0.20 H new ATOM 0 HA ILE A 26 3.932 -1.833 4.452 1.00 0.23 H new ATOM 0 HB ILE A 26 3.781 -1.466 1.684 1.00 0.31 H new ATOM 0 HG12 ILE A 26 1.916 -0.867 4.013 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.190 0.163 3.392 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.514 -2.146 1.078 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.580 -3.541 1.367 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.384 -3.066 2.596 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.993 0.976 2.705 1.00 0.73 H new ATOM 0 HD12 ILE A 26 1.939 0.464 1.288 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.645 -0.582 1.919 1.00 0.73 H new ATOM 432 N GLU A 27 2.668 -3.885 5.067 1.00 0.22 N ATOM 433 CA GLU A 27 2.041 -5.114 5.516 1.00 0.23 C ATOM 434 C GLU A 27 0.578 -5.100 5.108 1.00 0.22 C ATOM 435 O GLU A 27 -0.011 -4.034 4.937 1.00 0.27 O ATOM 436 CB GLU A 27 2.177 -5.254 7.044 1.00 0.26 C ATOM 437 CG GLU A 27 1.619 -6.557 7.606 1.00 0.65 C ATOM 438 CD GLU A 27 1.626 -6.597 9.124 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.672 -6.280 9.731 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.589 -6.964 9.724 1.00 1.65 O ATOM 0 H GLU A 27 2.535 -3.091 5.693 1.00 0.22 H new ATOM 0 HA GLU A 27 2.535 -5.969 5.054 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.231 -5.178 7.312 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.666 -4.418 7.521 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.598 -6.693 7.249 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.205 -7.392 7.223 1.00 0.65 H new ATOM 447 N TYR A 28 -0.001 -6.264 4.905 1.00 0.23 N ATOM 448 CA TYR A 28 -1.416 -6.342 4.614 1.00 0.22 C ATOM 449 C TYR A 28 -1.960 -7.675 5.081 1.00 0.28 C ATOM 450 O TYR A 28 -1.206 -8.597 5.384 1.00 0.45 O ATOM 451 CB TYR A 28 -1.690 -6.152 3.110 1.00 0.29 C ATOM 452 CG TYR A 28 -1.256 -7.320 2.249 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.050 -8.451 2.120 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.053 -7.280 1.550 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.657 -9.507 1.320 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.345 -8.331 0.753 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.460 -9.485 0.702 1.00 0.60 C ATOM 458 OH TYR A 28 -0.074 -10.478 -0.168 1.00 0.70 O ATOM 0 H TYR A 28 0.481 -7.162 4.936 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.921 -5.537 5.148 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.757 -5.984 2.965 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.177 -5.253 2.769 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -2.988 -8.507 2.652 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.580 -6.409 1.634 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.313 -10.355 1.189 1.00 0.56 H new ATOM 0 HE2 TYR A 28 1.257 -8.271 0.178 1.00 0.50 H new ATOM 0 HH TYR A 28 0.653 -10.150 -0.737 1.00 0.70 H new ATOM 468 N LYS A 29 -3.268 -7.763 5.156 1.00 0.24 N ATOM 469 CA LYS A 29 -3.923 -8.994 5.535 1.00 0.32 C ATOM 470 C LYS A 29 -5.332 -9.024 4.974 1.00 0.25 C ATOM 471 O LYS A 29 -6.088 -8.065 5.115 1.00 0.31 O ATOM 472 CB LYS A 29 -3.918 -9.185 7.066 1.00 0.49 C ATOM 473 CG LYS A 29 -4.541 -8.050 7.882 1.00 0.58 C ATOM 474 CD LYS A 29 -3.679 -6.791 7.913 1.00 0.74 C ATOM 475 CE LYS A 29 -2.231 -7.066 8.309 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.096 -7.614 9.683 1.00 1.52 N ATOM 0 H LYS A 29 -3.904 -6.990 4.958 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.366 -9.829 5.110 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.448 -10.108 7.300 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -2.887 -9.318 7.393 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.517 -7.804 7.465 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -4.708 -8.394 8.903 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.697 -6.321 6.930 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.112 -6.079 8.615 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.794 -7.769 7.600 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -1.659 -6.141 8.235 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.112 -7.512 10.002 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.725 -7.094 10.328 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.357 -8.621 9.682 1.00 1.52 H new ATOM 490 N MET A 30 -5.661 -10.111 4.296 1.00 0.32 N ATOM 491 CA MET A 30 -6.974 -10.263 3.697 1.00 0.27 C ATOM 492 C MET A 30 -7.977 -10.653 4.774 1.00 0.30 C ATOM 493 O MET A 30 -7.902 -11.741 5.346 1.00 0.39 O ATOM 494 CB MET A 30 -6.948 -11.326 2.596 1.00 0.36 C ATOM 495 CG MET A 30 -5.881 -11.102 1.541 1.00 1.00 C ATOM 496 SD MET A 30 -5.876 -12.397 0.283 1.00 1.12 S ATOM 497 CE MET A 30 -4.523 -11.860 -0.762 1.00 1.85 C ATOM 0 H MET A 30 -5.035 -10.902 4.147 1.00 0.32 H new ATOM 0 HA MET A 30 -7.269 -9.315 3.248 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.792 -12.303 3.053 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.923 -11.354 2.110 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.043 -10.136 1.063 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.903 -11.061 2.020 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.842 -11.869 -1.804 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.226 -10.849 -0.482 1.00 1.85 H new ATOM 0 HE3 MET A 30 -3.676 -12.535 -0.636 1.00 1.85 H new ATOM 507 N ARG A 31 -8.893 -9.752 5.052 1.00 0.29 N ATOM 508 CA ARG A 31 -9.884 -9.945 6.089 1.00 0.39 C ATOM 509 C ARG A 31 -11.150 -10.541 5.507 1.00 0.42 C ATOM 510 O ARG A 31 -11.315 -10.590 4.284 1.00 0.38 O ATOM 511 CB ARG A 31 -10.199 -8.614 6.765 1.00 0.46 C ATOM 512 CG ARG A 31 -9.059 -8.078 7.614 1.00 0.67 C ATOM 513 CD ARG A 31 -9.319 -6.648 8.058 1.00 0.66 C ATOM 514 NE ARG A 31 -10.608 -6.497 8.728 1.00 0.98 N ATOM 515 CZ ARG A 31 -11.134 -5.324 9.081 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.492 -4.185 8.838 1.00 1.41 N ATOM 517 NH2 ARG A 31 -12.318 -5.290 9.669 1.00 2.03 N ATOM 0 H ARG A 31 -8.972 -8.860 4.563 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.481 -10.635 6.830 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.449 -7.878 6.001 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.082 -8.735 7.392 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -8.926 -8.713 8.490 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.130 -8.120 7.046 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.523 -6.330 8.732 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.285 -5.989 7.190 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.139 -7.342 8.939 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.583 -4.201 8.375 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.908 -3.296 9.115 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.823 -6.158 9.850 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.726 -4.396 9.942 1.00 2.03 H new ATOM 531 N ASN A 32 -12.036 -10.991 6.392 1.00 0.55 N ATOM 532 CA ASN A 32 -13.294 -11.609 5.991 1.00 0.64 C ATOM 533 C ASN A 32 -13.000 -12.820 5.110 1.00 0.65 C ATOM 534 O ASN A 32 -13.509 -12.929 3.994 1.00 0.66 O ATOM 535 CB ASN A 32 -14.171 -10.602 5.233 1.00 0.64 C ATOM 536 CG ASN A 32 -15.635 -11.014 5.176 1.00 0.77 C ATOM 537 OD1 ASN A 32 -15.980 -12.191 5.302 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.511 -10.043 4.974 1.00 0.99 N ATOM 0 H ASN A 32 -11.902 -10.937 7.402 1.00 0.55 H new ATOM 0 HA ASN A 32 -13.836 -11.929 6.881 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.092 -9.626 5.713 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.791 -10.490 4.218 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.507 -10.258 4.918 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.191 -9.080 4.874 1.00 0.99 H new ATOM 545 N ASN A 33 -12.114 -13.688 5.608 1.00 0.73 N ATOM 546 CA ASN A 33 -11.674 -14.897 4.893 1.00 0.83 C ATOM 547 C ASN A 33 -10.723 -14.552 3.744 1.00 0.78 C ATOM 548 O ASN A 33 -9.932 -15.390 3.304 1.00 1.04 O ATOM 549 CB ASN A 33 -12.877 -15.706 4.375 1.00 0.95 C ATOM 550 CG ASN A 33 -12.472 -16.921 3.557 1.00 1.62 C ATOM 551 OD1 ASN A 33 -12.222 -17.997 4.099 1.00 1.82 O ATOM 552 ND2 ASN A 33 -12.427 -16.765 2.242 1.00 2.33 N ATOM 0 H ASN A 33 -11.678 -13.574 6.523 1.00 0.73 H new ATOM 0 HA ASN A 33 -11.129 -15.515 5.606 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -13.480 -16.031 5.223 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.507 -15.058 3.765 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -12.179 -17.553 1.643 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -12.641 -15.857 1.828 1.00 2.33 H new ATOM 559 N GLY A 34 -10.777 -13.311 3.283 1.00 0.55 N ATOM 560 CA GLY A 34 -9.975 -12.898 2.155 1.00 0.52 C ATOM 561 C GLY A 34 -10.777 -12.098 1.148 1.00 0.48 C ATOM 562 O GLY A 34 -10.574 -12.222 -0.057 1.00 0.62 O ATOM 0 H GLY A 34 -11.368 -12.578 3.676 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.136 -12.299 2.508 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.556 -13.778 1.667 1.00 0.52 H new ATOM 566 N LYS A 35 -11.701 -11.286 1.643 1.00 0.40 N ATOM 567 CA LYS A 35 -12.538 -10.465 0.778 1.00 0.40 C ATOM 568 C LYS A 35 -12.127 -9.003 0.863 1.00 0.28 C ATOM 569 O LYS A 35 -12.430 -8.209 -0.030 1.00 0.28 O ATOM 570 CB LYS A 35 -14.012 -10.612 1.163 1.00 0.52 C ATOM 571 CG LYS A 35 -14.553 -12.016 0.973 1.00 0.67 C ATOM 572 CD LYS A 35 -14.514 -12.435 -0.486 1.00 0.85 C ATOM 573 CE LYS A 35 -14.935 -13.884 -0.662 1.00 1.14 C ATOM 574 NZ LYS A 35 -16.319 -14.130 -0.177 1.00 1.60 N ATOM 0 H LYS A 35 -11.890 -11.178 2.639 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.403 -10.808 -0.248 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.137 -10.322 2.206 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.605 -9.919 0.566 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -13.968 -12.716 1.569 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.578 -12.065 1.339 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -15.173 -11.791 -1.068 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.506 -12.298 -0.878 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.868 -14.155 -1.716 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.243 -14.530 -0.122 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -16.613 -15.093 -0.439 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.347 -14.028 0.858 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -16.966 -13.441 -0.610 1.00 1.60 H new ATOM 588 N VAL A 36 -11.438 -8.652 1.940 1.00 0.25 N ATOM 589 CA VAL A 36 -10.997 -7.284 2.149 1.00 0.19 C ATOM 590 C VAL A 36 -9.499 -7.229 2.425 1.00 0.16 C ATOM 591 O VAL A 36 -9.001 -7.876 3.333 1.00 0.22 O ATOM 592 CB VAL A 36 -11.775 -6.618 3.309 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.112 -5.316 3.741 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.213 -6.361 2.890 1.00 0.30 C ATOM 0 H VAL A 36 -11.173 -9.299 2.683 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.202 -6.730 1.233 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.765 -7.299 4.160 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.681 -4.871 4.557 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.095 -5.519 4.076 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.085 -4.625 2.899 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.753 -5.892 3.712 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.227 -5.700 2.023 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.692 -7.306 2.633 1.00 0.30 H new ATOM 604 N MET A 37 -8.791 -6.457 1.628 1.00 0.15 N ATOM 605 CA MET A 37 -7.359 -6.289 1.784 1.00 0.18 C ATOM 606 C MET A 37 -7.083 -5.175 2.764 1.00 0.16 C ATOM 607 O MET A 37 -7.268 -4.007 2.450 1.00 0.17 O ATOM 608 CB MET A 37 -6.721 -5.909 0.458 1.00 0.24 C ATOM 609 CG MET A 37 -5.255 -6.300 0.336 1.00 0.51 C ATOM 610 SD MET A 37 -5.000 -8.080 0.265 1.00 1.03 S ATOM 611 CE MET A 37 -5.832 -8.470 -1.270 1.00 1.66 C ATOM 0 H MET A 37 -9.191 -5.928 0.853 1.00 0.15 H new ATOM 0 HA MET A 37 -6.943 -7.231 2.141 1.00 0.18 H new ATOM 0 HB2 MET A 37 -7.280 -6.381 -0.350 1.00 0.24 H new ATOM 0 HB3 MET A 37 -6.811 -4.831 0.320 1.00 0.24 H new ATOM 0 HG2 MET A 37 -4.837 -5.844 -0.561 1.00 0.51 H new ATOM 0 HG3 MET A 37 -4.705 -5.894 1.185 1.00 0.51 H new ATOM 0 HE1 MET A 37 -6.047 -9.538 -1.306 1.00 1.66 H new ATOM 0 HE2 MET A 37 -6.765 -7.910 -1.331 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.192 -8.200 -2.110 1.00 1.66 H new ATOM 621 N ASP A 38 -6.639 -5.528 3.933 1.00 0.17 N ATOM 622 CA ASP A 38 -6.352 -4.538 4.948 1.00 0.18 C ATOM 623 C ASP A 38 -4.882 -4.168 4.876 1.00 0.18 C ATOM 624 O ASP A 38 -4.010 -4.964 5.222 1.00 0.20 O ATOM 625 CB ASP A 38 -6.727 -5.091 6.320 1.00 0.24 C ATOM 626 CG ASP A 38 -6.986 -4.014 7.355 1.00 0.32 C ATOM 627 OD1 ASP A 38 -6.006 -3.477 7.916 1.00 0.97 O ATOM 628 OD2 ASP A 38 -8.157 -3.671 7.587 1.00 0.81 O ATOM 0 H ASP A 38 -6.465 -6.493 4.215 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.941 -3.636 4.780 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.618 -5.711 6.222 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.925 -5.739 6.674 1.00 0.24 H new ATOM 633 N LEU A 39 -4.623 -2.970 4.381 1.00 0.18 N ATOM 634 CA LEU A 39 -3.265 -2.486 4.189 1.00 0.19 C ATOM 635 C LEU A 39 -2.780 -1.865 5.478 1.00 0.20 C ATOM 636 O LEU A 39 -3.236 -0.795 5.872 1.00 0.28 O ATOM 637 CB LEU A 39 -3.194 -1.464 3.041 1.00 0.20 C ATOM 638 CG LEU A 39 -3.215 -2.034 1.619 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.314 -3.065 1.441 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.387 -0.905 0.616 1.00 0.22 C ATOM 0 H LEU A 39 -5.345 -2.306 4.101 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.624 -3.325 3.919 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -4.032 -0.775 3.145 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.283 -0.878 3.161 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.264 -2.537 1.445 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.295 -3.445 0.419 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.156 -3.889 2.137 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.281 -2.603 1.638 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.401 -1.315 -0.394 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.325 -0.386 0.810 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.558 -0.204 0.711 1.00 0.22 H new ATOM 652 N VAL A 40 -1.863 -2.540 6.130 1.00 0.17 N ATOM 653 CA VAL A 40 -1.422 -2.140 7.444 1.00 0.20 C ATOM 654 C VAL A 40 0.044 -1.742 7.436 1.00 0.18 C ATOM 655 O VAL A 40 0.908 -2.541 7.092 1.00 0.23 O ATOM 656 CB VAL A 40 -1.636 -3.282 8.459 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.876 -3.030 9.749 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.112 -3.458 8.745 1.00 0.88 C ATOM 0 H VAL A 40 -1.405 -3.376 5.767 1.00 0.17 H new ATOM 0 HA VAL A 40 -2.017 -1.276 7.739 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.246 -4.199 8.017 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.050 -3.854 10.441 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.190 -2.955 9.535 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.222 -2.100 10.199 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.250 -4.267 9.463 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.515 -2.534 9.158 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.635 -3.701 7.820 1.00 0.88 H new ATOM 668 N HIS A 41 0.306 -0.490 7.780 1.00 0.16 N ATOM 669 CA HIS A 41 1.658 -0.034 8.081 1.00 0.17 C ATOM 670 C HIS A 41 2.495 0.165 6.824 1.00 0.14 C ATOM 671 O HIS A 41 3.097 -0.773 6.305 1.00 0.17 O ATOM 672 CB HIS A 41 2.351 -1.018 9.044 1.00 0.22 C ATOM 673 CG HIS A 41 3.736 -0.627 9.482 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.596 -1.509 10.094 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.403 0.551 9.411 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.726 -0.895 10.384 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.638 0.358 9.981 1.00 0.67 N ATOM 0 H HIS A 41 -0.406 0.236 7.859 1.00 0.16 H new ATOM 0 HA HIS A 41 1.573 0.940 8.564 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.727 -1.132 9.930 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.403 -1.995 8.563 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.032 1.471 8.985 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.580 -1.343 10.870 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.366 1.066 10.077 1.00 0.67 H new ATOM 686 N THR A 42 2.518 1.395 6.349 1.00 0.16 N ATOM 687 CA THR A 42 3.481 1.798 5.350 1.00 0.16 C ATOM 688 C THR A 42 4.755 2.226 6.066 1.00 0.20 C ATOM 689 O THR A 42 4.715 3.036 6.998 1.00 0.31 O ATOM 690 CB THR A 42 2.964 2.963 4.465 1.00 0.20 C ATOM 691 OG1 THR A 42 3.938 3.306 3.475 1.00 0.22 O ATOM 692 CG2 THR A 42 2.642 4.187 5.312 1.00 0.31 C ATOM 0 H THR A 42 1.877 2.133 6.642 1.00 0.16 H new ATOM 0 HA THR A 42 3.664 0.953 4.686 1.00 0.16 H new ATOM 0 HB THR A 42 2.051 2.630 3.971 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.541 3.222 2.583 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.282 4.990 4.669 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.873 3.933 6.041 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.541 4.516 5.833 1.00 0.31 H new ATOM 700 N TYR A 43 5.873 1.644 5.699 1.00 0.22 N ATOM 701 CA TYR A 43 7.124 2.070 6.272 1.00 0.29 C ATOM 702 C TYR A 43 8.121 2.391 5.185 1.00 0.27 C ATOM 703 O TYR A 43 8.196 1.695 4.175 1.00 0.37 O ATOM 704 CB TYR A 43 7.690 1.023 7.226 1.00 0.45 C ATOM 705 CG TYR A 43 8.576 1.650 8.268 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.095 2.584 9.170 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.907 1.274 8.357 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.922 3.130 10.133 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.738 1.810 9.310 1.00 1.34 C ATOM 710 CZ TYR A 43 10.175 2.871 10.176 1.00 1.58 C ATOM 711 OH TYR A 43 11.075 3.281 11.148 1.00 2.02 O ATOM 0 H TYR A 43 5.941 0.887 5.018 1.00 0.22 H new ATOM 0 HA TYR A 43 6.932 2.974 6.850 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.872 0.493 7.713 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.257 0.283 6.661 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.060 2.890 9.120 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.299 0.545 7.663 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.499 3.795 10.871 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.758 1.472 9.423 1.00 1.34 H new ATOM 0 HH TYR A 43 11.968 2.939 10.932 1.00 2.02 H new ATOM 721 N VAL A 44 8.881 3.450 5.398 1.00 0.25 N ATOM 722 CA VAL A 44 9.838 3.911 4.416 1.00 0.28 C ATOM 723 C VAL A 44 10.886 4.807 5.088 1.00 0.34 C ATOM 724 O VAL A 44 10.548 5.679 5.888 1.00 0.36 O ATOM 725 CB VAL A 44 9.117 4.665 3.273 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.472 5.951 3.768 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.061 4.937 2.123 1.00 0.60 C ATOM 0 H VAL A 44 8.851 4.009 6.251 1.00 0.25 H new ATOM 0 HA VAL A 44 10.346 3.050 3.983 1.00 0.28 H new ATOM 0 HB VAL A 44 8.318 4.020 2.909 1.00 0.33 H new ATOM 0 HG11 VAL A 44 7.976 6.452 2.937 1.00 0.71 H new ATOM 0 HG12 VAL A 44 7.739 5.717 4.540 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.238 6.607 4.182 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.529 5.468 1.333 1.00 0.60 H new ATOM 0 HG22 VAL A 44 10.894 5.547 2.473 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.441 3.993 1.733 1.00 0.60 H new ATOM 737 N PRO A 45 12.176 4.563 4.818 1.00 0.41 N ATOM 738 CA PRO A 45 13.276 5.336 5.407 1.00 0.48 C ATOM 739 C PRO A 45 13.382 6.751 4.849 1.00 0.51 C ATOM 740 O PRO A 45 12.684 7.111 3.899 1.00 0.50 O ATOM 741 CB PRO A 45 14.532 4.540 5.037 1.00 0.61 C ATOM 742 CG PRO A 45 14.044 3.242 4.497 1.00 0.79 C ATOM 743 CD PRO A 45 12.673 3.496 3.953 1.00 0.48 C ATOM 0 HA PRO A 45 13.127 5.462 6.479 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.128 5.072 4.296 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.169 4.387 5.908 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.709 2.872 3.716 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.017 2.483 5.278 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.703 3.803 2.908 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.045 2.606 4.006 1.00 0.48 H new ATOM 751 N SER A 46 14.297 7.524 5.425 1.00 0.63 N ATOM 752 CA SER A 46 14.478 8.935 5.096 1.00 0.77 C ATOM 753 C SER A 46 14.675 9.161 3.597 1.00 0.80 C ATOM 754 O SER A 46 14.140 10.115 3.031 1.00 0.94 O ATOM 755 CB SER A 46 15.688 9.465 5.857 1.00 0.91 C ATOM 756 OG SER A 46 15.734 8.906 7.159 1.00 1.39 O ATOM 0 H SER A 46 14.940 7.186 6.141 1.00 0.63 H new ATOM 0 HA SER A 46 13.573 9.469 5.386 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.602 9.220 5.316 1.00 0.91 H new ATOM 0 HB3 SER A 46 15.638 10.552 5.922 1.00 0.91 H new ATOM 0 HG SER A 46 16.516 9.253 7.637 1.00 1.39 H new ATOM 762 N PHE A 47 15.425 8.268 2.963 1.00 0.75 N ATOM 763 CA PHE A 47 15.757 8.396 1.547 1.00 0.80 C ATOM 764 C PHE A 47 14.508 8.388 0.668 1.00 0.73 C ATOM 765 O PHE A 47 14.476 9.022 -0.384 1.00 0.82 O ATOM 766 CB PHE A 47 16.683 7.250 1.124 1.00 0.83 C ATOM 767 CG PHE A 47 17.103 7.313 -0.319 1.00 1.39 C ATOM 768 CD1 PHE A 47 17.876 8.365 -0.786 1.00 1.61 C ATOM 769 CD2 PHE A 47 16.720 6.324 -1.210 1.00 2.13 C ATOM 770 CE1 PHE A 47 18.257 8.428 -2.112 1.00 2.39 C ATOM 771 CE2 PHE A 47 17.097 6.383 -2.538 1.00 3.04 C ATOM 772 CZ PHE A 47 17.868 7.436 -2.990 1.00 3.12 C ATOM 0 H PHE A 47 15.818 7.440 3.411 1.00 0.75 H new ATOM 0 HA PHE A 47 16.260 9.354 1.412 1.00 0.80 H new ATOM 0 HB2 PHE A 47 17.573 7.263 1.753 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.178 6.301 1.305 1.00 0.83 H new ATOM 0 HD1 PHE A 47 18.184 9.144 -0.105 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.119 5.497 -0.862 1.00 2.13 H new ATOM 0 HE1 PHE A 47 18.859 9.253 -2.462 1.00 2.39 H new ATOM 0 HE2 PHE A 47 16.789 5.606 -3.222 1.00 3.04 H new ATOM 0 HZ PHE A 47 18.166 7.483 -4.027 1.00 3.12 H new ATOM 782 N LYS A 48 13.475 7.682 1.103 1.00 0.61 N ATOM 783 CA LYS A 48 12.323 7.446 0.245 1.00 0.60 C ATOM 784 C LYS A 48 11.018 7.909 0.885 1.00 0.64 C ATOM 785 O LYS A 48 9.948 7.747 0.297 1.00 0.78 O ATOM 786 CB LYS A 48 12.237 5.961 -0.111 1.00 0.55 C ATOM 787 CG LYS A 48 13.454 5.446 -0.858 1.00 0.76 C ATOM 788 CD LYS A 48 13.393 3.941 -1.069 1.00 0.81 C ATOM 789 CE LYS A 48 13.526 3.176 0.241 1.00 0.97 C ATOM 790 NZ LYS A 48 14.841 3.408 0.906 1.00 1.19 N ATOM 0 H LYS A 48 13.410 7.267 2.033 1.00 0.61 H new ATOM 0 HA LYS A 48 12.463 8.036 -0.661 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.111 5.383 0.804 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.349 5.792 -0.720 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.526 5.946 -1.824 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.356 5.699 -0.301 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.449 3.680 -1.547 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.189 3.638 -1.749 1.00 0.81 H new ATOM 0 HE2 LYS A 48 12.724 3.474 0.916 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.402 2.110 0.050 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 14.959 2.731 1.687 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.607 3.277 0.215 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 14.874 4.378 1.280 1.00 1.19 H new ATOM 804 N ARG A 49 11.100 8.485 2.084 1.00 0.73 N ATOM 805 CA ARG A 49 9.902 8.941 2.787 1.00 0.84 C ATOM 806 C ARG A 49 9.302 10.153 2.098 1.00 0.91 C ATOM 807 O ARG A 49 8.108 10.428 2.225 1.00 1.75 O ATOM 808 CB ARG A 49 10.189 9.271 4.253 1.00 1.03 C ATOM 809 CG ARG A 49 11.283 10.304 4.464 1.00 1.35 C ATOM 810 CD ARG A 49 11.548 10.529 5.946 1.00 1.45 C ATOM 811 NE ARG A 49 12.539 11.580 6.179 1.00 1.92 N ATOM 812 CZ ARG A 49 13.329 11.636 7.255 1.00 2.48 C ATOM 813 NH1 ARG A 49 13.292 10.671 8.165 1.00 2.70 N ATOM 814 NH2 ARG A 49 14.166 12.653 7.413 1.00 3.23 N ATOM 0 H ARG A 49 11.974 8.646 2.584 1.00 0.73 H new ATOM 0 HA ARG A 49 9.186 8.119 2.760 1.00 0.84 H new ATOM 0 HB2 ARG A 49 9.271 9.632 4.717 1.00 1.03 H new ATOM 0 HB3 ARG A 49 10.468 8.353 4.771 1.00 1.03 H new ATOM 0 HG2 ARG A 49 12.199 9.973 3.974 1.00 1.35 H new ATOM 0 HG3 ARG A 49 10.993 11.245 3.996 1.00 1.35 H new ATOM 0 HD2 ARG A 49 10.615 10.795 6.443 1.00 1.45 H new ATOM 0 HD3 ARG A 49 11.895 9.599 6.396 1.00 1.45 H new ATOM 0 HE ARG A 49 12.632 12.314 5.477 1.00 1.92 H new ATOM 0 HH11 ARG A 49 12.658 9.881 8.045 1.00 2.70 H new ATOM 0 HH12 ARG A 49 13.898 10.719 8.984 1.00 2.70 H new ATOM 0 HH21 ARG A 49 14.207 13.393 6.713 1.00 3.23 H new ATOM 0 HH22 ARG A 49 14.769 12.695 8.235 1.00 3.23 H new ATOM 828 N GLY A 50 10.134 10.874 1.370 1.00 1.00 N ATOM 829 CA GLY A 50 9.649 11.991 0.600 1.00 1.07 C ATOM 830 C GLY A 50 9.821 11.745 -0.883 1.00 0.98 C ATOM 831 O GLY A 50 10.068 12.673 -1.654 1.00 1.12 O ATOM 0 H GLY A 50 11.137 10.705 1.299 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.596 12.161 0.824 1.00 1.07 H new ATOM 0 HA3 GLY A 50 10.186 12.895 0.887 1.00 1.07 H new ATOM 835 N LEU A 51 9.705 10.483 -1.278 1.00 0.81 N ATOM 836 CA LEU A 51 9.955 10.088 -2.659 1.00 0.81 C ATOM 837 C LEU A 51 8.695 9.540 -3.319 1.00 0.71 C ATOM 838 O LEU A 51 8.546 9.606 -4.539 1.00 0.88 O ATOM 839 CB LEU A 51 11.053 9.025 -2.708 1.00 0.82 C ATOM 840 CG LEU A 51 11.530 8.632 -4.111 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.170 9.819 -4.816 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.503 7.463 -4.035 1.00 1.95 C ATOM 0 H LEU A 51 9.439 9.715 -0.661 1.00 0.81 H new ATOM 0 HA LEU A 51 10.272 10.976 -3.205 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.910 9.387 -2.140 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.691 8.130 -2.203 1.00 0.82 H new ATOM 0 HG LEU A 51 10.662 8.320 -4.693 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.501 9.517 -5.810 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.442 10.625 -4.906 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.027 10.167 -4.238 1.00 1.46 H new ATOM 0 HD21 LEU A 51 12.831 7.197 -5.040 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.367 7.747 -3.434 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.008 6.607 -3.577 1.00 1.95 H new ATOM 854 N GLY A 52 7.786 8.998 -2.519 1.00 0.52 N ATOM 855 CA GLY A 52 6.618 8.363 -3.091 1.00 0.43 C ATOM 856 C GLY A 52 6.534 6.893 -2.744 1.00 0.32 C ATOM 857 O GLY A 52 5.454 6.300 -2.775 1.00 0.28 O ATOM 0 H GLY A 52 7.835 8.987 -1.500 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.721 8.870 -2.735 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.640 8.477 -4.175 1.00 0.43 H new ATOM 861 N LEU A 53 7.690 6.305 -2.444 1.00 0.31 N ATOM 862 CA LEU A 53 7.822 4.857 -2.267 1.00 0.27 C ATOM 863 C LEU A 53 6.800 4.313 -1.266 1.00 0.20 C ATOM 864 O LEU A 53 6.193 3.271 -1.511 1.00 0.20 O ATOM 865 CB LEU A 53 9.255 4.522 -1.815 1.00 0.29 C ATOM 866 CG LEU A 53 9.652 3.035 -1.843 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.148 2.304 -0.608 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.125 2.366 -3.104 1.00 0.67 C ATOM 0 H LEU A 53 8.563 6.817 -2.316 1.00 0.31 H new ATOM 0 HA LEU A 53 7.622 4.376 -3.224 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.950 5.073 -2.448 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.388 4.892 -0.798 1.00 0.29 H new ATOM 0 HG LEU A 53 10.741 2.982 -1.845 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.445 1.256 -0.659 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.576 2.760 0.285 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.061 2.371 -0.564 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.415 1.315 -3.107 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.038 2.442 -3.129 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.544 2.860 -3.980 1.00 0.67 H new ATOM 880 N ALA A 54 6.606 5.021 -0.160 1.00 0.19 N ATOM 881 CA ALA A 54 5.650 4.606 0.865 1.00 0.17 C ATOM 882 C ALA A 54 4.264 4.373 0.266 1.00 0.15 C ATOM 883 O ALA A 54 3.629 3.342 0.503 1.00 0.15 O ATOM 884 CB ALA A 54 5.573 5.653 1.961 1.00 0.24 C ATOM 0 H ALA A 54 7.099 5.888 0.052 1.00 0.19 H new ATOM 0 HA ALA A 54 5.998 3.665 1.290 1.00 0.17 H new ATOM 0 HB1 ALA A 54 4.858 5.334 2.719 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.555 5.775 2.417 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.250 6.603 1.535 1.00 0.24 H new ATOM 890 N SER A 55 3.803 5.345 -0.502 1.00 0.17 N ATOM 891 CA SER A 55 2.529 5.248 -1.196 1.00 0.21 C ATOM 892 C SER A 55 2.562 4.181 -2.290 1.00 0.21 C ATOM 893 O SER A 55 1.559 3.517 -2.539 1.00 0.25 O ATOM 894 CB SER A 55 2.155 6.606 -1.787 1.00 0.28 C ATOM 895 OG SER A 55 1.985 7.572 -0.764 1.00 1.08 O ATOM 0 H SER A 55 4.299 6.222 -0.662 1.00 0.17 H new ATOM 0 HA SER A 55 1.772 4.949 -0.471 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.933 6.934 -2.477 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.235 6.515 -2.364 1.00 0.28 H new ATOM 0 HG SER A 55 1.747 8.434 -1.165 1.00 1.08 H new ATOM 901 N HIS A 56 3.714 4.006 -2.937 1.00 0.21 N ATOM 902 CA HIS A 56 3.861 2.965 -3.956 1.00 0.23 C ATOM 903 C HIS A 56 3.640 1.585 -3.345 1.00 0.20 C ATOM 904 O HIS A 56 3.135 0.678 -4.004 1.00 0.23 O ATOM 905 CB HIS A 56 5.233 3.022 -4.642 1.00 0.29 C ATOM 906 CG HIS A 56 5.334 4.067 -5.716 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.952 3.839 -7.021 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.786 5.344 -5.682 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.164 4.926 -7.739 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.669 5.857 -6.951 1.00 0.93 N ATOM 0 H HIS A 56 4.552 4.565 -2.777 1.00 0.21 H new ATOM 0 HA HIS A 56 3.102 3.148 -4.716 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.997 3.214 -3.889 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.452 2.046 -5.076 1.00 0.29 H new ATOM 0 HD2 HIS A 56 6.168 5.863 -4.816 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.959 5.035 -8.794 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.929 6.801 -7.237 1.00 0.93 H new ATOM 919 N LEU A 57 4.010 1.438 -2.078 1.00 0.15 N ATOM 920 CA LEU A 57 3.777 0.196 -1.351 1.00 0.13 C ATOM 921 C LEU A 57 2.278 -0.033 -1.184 1.00 0.13 C ATOM 922 O LEU A 57 1.782 -1.149 -1.347 1.00 0.15 O ATOM 923 CB LEU A 57 4.456 0.242 0.020 1.00 0.14 C ATOM 924 CG LEU A 57 5.970 0.441 -0.008 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.491 0.703 1.395 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.657 -0.772 -0.616 1.00 0.22 C ATOM 0 H LEU A 57 4.473 2.165 -1.532 1.00 0.15 H new ATOM 0 HA LEU A 57 4.204 -0.629 -1.922 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.011 1.050 0.601 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.238 -0.687 0.547 1.00 0.14 H new ATOM 0 HG LEU A 57 6.196 1.307 -0.630 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.571 0.843 1.362 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.021 1.601 1.796 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.255 -0.147 2.035 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.735 -0.612 -0.628 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.428 -1.656 -0.021 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.301 -0.919 -1.636 1.00 0.22 H new ATOM 938 N CYS A 58 1.560 1.039 -0.862 1.00 0.16 N ATOM 939 CA CYS A 58 0.106 0.983 -0.750 1.00 0.19 C ATOM 940 C CYS A 58 -0.517 0.632 -2.098 1.00 0.19 C ATOM 941 O CYS A 58 -1.462 -0.155 -2.176 1.00 0.20 O ATOM 942 CB CYS A 58 -0.439 2.324 -0.252 1.00 0.23 C ATOM 943 SG CYS A 58 -2.222 2.347 0.040 1.00 0.27 S ATOM 0 H CYS A 58 1.962 1.958 -0.674 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.157 0.207 -0.031 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.071 2.588 0.674 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.193 3.095 -0.982 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.847 2.426 -1.097 1.00 0.27 H new ATOM 949 N VAL A 59 0.034 1.212 -3.157 1.00 0.19 N ATOM 950 CA VAL A 59 -0.435 0.958 -4.512 1.00 0.22 C ATOM 951 C VAL A 59 -0.187 -0.496 -4.914 1.00 0.20 C ATOM 952 O VAL A 59 -0.974 -1.087 -5.651 1.00 0.22 O ATOM 953 CB VAL A 59 0.240 1.915 -5.519 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.159 1.586 -6.951 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.118 3.354 -5.197 1.00 0.29 C ATOM 0 H VAL A 59 0.814 1.867 -3.101 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.509 1.141 -4.530 1.00 0.22 H new ATOM 0 HB VAL A 59 1.319 1.785 -5.431 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.333 2.278 -7.634 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.143 0.566 -7.188 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.240 1.678 -7.058 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.364 4.018 -5.914 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.199 3.482 -5.254 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.223 3.597 -4.191 1.00 0.29 H new ATOM 965 N ALA A 60 0.898 -1.072 -4.411 1.00 0.18 N ATOM 966 CA ALA A 60 1.209 -2.476 -4.663 1.00 0.21 C ATOM 967 C ALA A 60 0.095 -3.379 -4.148 1.00 0.17 C ATOM 968 O ALA A 60 -0.252 -4.376 -4.785 1.00 0.17 O ATOM 969 CB ALA A 60 2.544 -2.853 -4.032 1.00 0.28 C ATOM 0 H ALA A 60 1.579 -0.589 -3.825 1.00 0.18 H new ATOM 0 HA ALA A 60 1.288 -2.618 -5.741 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.757 -3.903 -4.231 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.335 -2.235 -4.457 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.496 -2.691 -2.955 1.00 0.28 H new ATOM 975 N ALA A 61 -0.483 -3.030 -3.002 1.00 0.16 N ATOM 976 CA ALA A 61 -1.597 -3.794 -2.476 1.00 0.16 C ATOM 977 C ALA A 61 -2.853 -3.530 -3.295 1.00 0.14 C ATOM 978 O ALA A 61 -3.682 -4.424 -3.480 1.00 0.15 O ATOM 979 CB ALA A 61 -1.821 -3.477 -1.013 1.00 0.20 C ATOM 0 H ALA A 61 -0.200 -2.234 -2.431 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.359 -4.855 -2.553 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.662 -4.061 -0.639 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.924 -3.726 -0.445 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -2.038 -2.415 -0.900 1.00 0.20 H new ATOM 985 N PHE A 62 -2.975 -2.305 -3.804 1.00 0.14 N ATOM 986 CA PHE A 62 -4.074 -1.953 -4.699 1.00 0.15 C ATOM 987 C PHE A 62 -4.040 -2.816 -5.951 1.00 0.15 C ATOM 988 O PHE A 62 -5.033 -3.450 -6.299 1.00 0.16 O ATOM 989 CB PHE A 62 -4.024 -0.479 -5.121 1.00 0.17 C ATOM 990 CG PHE A 62 -4.440 0.508 -4.067 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.565 0.279 -3.286 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.695 1.649 -3.839 1.00 0.20 C ATOM 993 CE1 PHE A 62 -5.942 1.179 -2.304 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.066 2.553 -2.861 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.227 2.351 -2.141 1.00 0.24 C ATOM 0 H PHE A 62 -2.327 -1.541 -3.612 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.996 -2.127 -4.145 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.007 -0.243 -5.435 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.665 -0.346 -5.992 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.153 -0.612 -3.447 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.812 1.837 -4.432 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.790 0.967 -1.669 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.449 3.416 -2.660 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.575 3.107 -1.452 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.887 -2.831 -6.616 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.684 -3.619 -7.833 1.00 0.19 C ATOM 1007 C GLU A 63 -3.066 -5.077 -7.609 1.00 0.19 C ATOM 1008 O GLU A 63 -3.653 -5.727 -8.476 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.213 -3.544 -8.253 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.744 -2.147 -8.619 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.261 -1.694 -9.965 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -0.616 -1.986 -10.990 1.00 1.58 O ATOM 1013 OE2 GLU A 63 -2.326 -1.048 -10.001 1.00 1.98 O ATOM 0 H GLU A 63 -2.066 -2.298 -6.328 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.320 -3.207 -8.617 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.594 -3.922 -7.439 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.056 -4.204 -9.106 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.073 -1.445 -7.853 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.346 -2.124 -8.626 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.745 -5.567 -6.424 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.969 -6.958 -6.073 1.00 0.19 C ATOM 1022 C HIS A 64 -4.466 -7.239 -5.930 1.00 0.19 C ATOM 1023 O HIS A 64 -4.999 -8.172 -6.533 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.234 -7.270 -4.761 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.095 -8.732 -4.442 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -1.190 -9.210 -3.517 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -2.747 -9.821 -4.919 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -1.292 -10.524 -3.440 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.228 -10.919 -4.278 1.00 1.33 N ATOM 0 H HIS A 64 -2.322 -5.013 -5.679 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.581 -7.599 -6.865 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.239 -6.827 -4.806 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.763 -6.784 -3.941 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -3.529 -9.824 -5.664 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -0.707 -11.166 -2.798 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -2.520 -11.885 -4.427 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.141 -6.412 -5.146 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.545 -6.633 -4.844 1.00 0.16 C ATOM 1040 C ALA A 65 -7.441 -6.292 -6.028 1.00 0.15 C ATOM 1041 O ALA A 65 -8.314 -7.080 -6.384 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.956 -5.830 -3.627 1.00 0.20 C ATOM 0 H ALA A 65 -4.739 -5.583 -4.708 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.670 -7.695 -4.631 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -8.010 -6.006 -3.414 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.356 -6.136 -2.770 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.798 -4.769 -3.821 1.00 0.20 H new ATOM 1048 N SER A 66 -7.228 -5.123 -6.633 1.00 0.16 N ATOM 1049 CA SER A 66 -8.039 -4.689 -7.772 1.00 0.20 C ATOM 1050 C SER A 66 -8.089 -5.755 -8.872 1.00 0.24 C ATOM 1051 O SER A 66 -9.151 -6.028 -9.432 1.00 0.31 O ATOM 1052 CB SER A 66 -7.496 -3.378 -8.345 1.00 0.24 C ATOM 1053 OG SER A 66 -6.126 -3.499 -8.687 1.00 1.21 O ATOM 0 H SER A 66 -6.503 -4.461 -6.355 1.00 0.16 H new ATOM 0 HA SER A 66 -9.054 -4.532 -7.408 1.00 0.20 H new ATOM 0 HB2 SER A 66 -8.071 -3.098 -9.228 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.622 -2.579 -7.615 1.00 0.24 H new ATOM 0 HG SER A 66 -5.575 -3.137 -7.962 1.00 1.21 H new ATOM 1059 N SER A 67 -6.944 -6.365 -9.161 1.00 0.25 N ATOM 1060 CA SER A 67 -6.859 -7.384 -10.199 1.00 0.33 C ATOM 1061 C SER A 67 -7.645 -8.640 -9.815 1.00 0.34 C ATOM 1062 O SER A 67 -8.246 -9.293 -10.670 1.00 0.44 O ATOM 1063 CB SER A 67 -5.395 -7.739 -10.461 1.00 0.39 C ATOM 1064 OG SER A 67 -4.641 -6.579 -10.787 1.00 1.20 O ATOM 0 H SER A 67 -6.061 -6.170 -8.689 1.00 0.25 H new ATOM 0 HA SER A 67 -7.302 -6.978 -11.109 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.970 -8.218 -9.579 1.00 0.39 H new ATOM 0 HB3 SER A 67 -5.332 -8.459 -11.277 1.00 0.39 H new ATOM 0 HG SER A 67 -4.142 -6.281 -9.998 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.653 -8.968 -8.527 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.350 -10.161 -8.047 1.00 0.35 C ATOM 1072 C HIS A 68 -9.794 -9.824 -7.659 1.00 0.37 C ATOM 1073 O HIS A 68 -10.516 -10.664 -7.125 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.599 -10.758 -6.849 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.960 -12.183 -6.540 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.250 -13.249 -7.030 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -8.941 -12.711 -5.771 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -7.776 -14.374 -6.579 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -8.805 -14.074 -5.811 1.00 0.82 N ATOM 0 H HIS A 68 -7.187 -8.428 -7.798 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.377 -10.897 -8.850 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.528 -10.701 -7.042 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.798 -10.146 -5.969 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -9.693 -12.159 -5.226 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -7.423 -15.370 -6.802 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -9.401 -14.745 -5.327 1.00 0.82 H new ATOM 1088 N SER A 69 -10.198 -8.589 -7.937 1.00 0.33 N ATOM 1089 CA SER A 69 -11.547 -8.105 -7.625 1.00 0.37 C ATOM 1090 C SER A 69 -11.804 -8.120 -6.115 1.00 0.34 C ATOM 1091 O SER A 69 -12.908 -8.421 -5.655 1.00 0.54 O ATOM 1092 CB SER A 69 -12.596 -8.947 -8.362 1.00 0.47 C ATOM 1093 OG SER A 69 -12.415 -8.859 -9.766 1.00 1.12 O ATOM 0 H SER A 69 -9.603 -7.892 -8.385 1.00 0.33 H new ATOM 0 HA SER A 69 -11.626 -7.072 -7.965 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.522 -9.987 -8.046 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.596 -8.604 -8.097 1.00 0.47 H new ATOM 0 HG SER A 69 -13.092 -9.404 -10.218 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.777 -7.767 -5.355 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.865 -7.732 -3.901 1.00 0.21 C ATOM 1101 C ILE A 70 -11.047 -6.292 -3.413 1.00 0.19 C ATOM 1102 O ILE A 70 -10.629 -5.344 -4.080 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.594 -8.352 -3.261 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.365 -9.768 -3.795 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.702 -8.388 -1.745 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -8.124 -10.436 -3.236 1.00 0.36 C ATOM 0 H ILE A 70 -9.865 -7.498 -5.725 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.731 -8.321 -3.597 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.746 -7.723 -3.531 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -10.235 -10.381 -3.559 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.288 -9.729 -4.882 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.797 -8.828 -1.326 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.822 -7.374 -1.365 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.564 -8.989 -1.456 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -8.027 -11.436 -3.659 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -7.245 -9.846 -3.495 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -8.207 -10.508 -2.151 1.00 0.36 H new ATOM 1118 N SER A 71 -11.671 -6.132 -2.252 1.00 0.19 N ATOM 1119 CA SER A 71 -11.840 -4.822 -1.650 1.00 0.19 C ATOM 1120 C SER A 71 -10.654 -4.547 -0.732 1.00 0.17 C ATOM 1121 O SER A 71 -9.893 -5.456 -0.437 1.00 0.19 O ATOM 1122 CB SER A 71 -13.149 -4.778 -0.862 1.00 0.23 C ATOM 1123 OG SER A 71 -14.236 -5.207 -1.666 1.00 1.01 O ATOM 0 H SER A 71 -12.069 -6.899 -1.709 1.00 0.19 H new ATOM 0 HA SER A 71 -11.882 -4.057 -2.425 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.070 -5.414 0.019 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.331 -3.764 -0.507 1.00 0.23 H new ATOM 0 HG SER A 71 -15.064 -5.173 -1.142 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.483 -3.305 -0.305 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.319 -2.914 0.489 1.00 0.14 C ATOM 1131 C ILE A 72 -9.701 -1.941 1.617 1.00 0.14 C ATOM 1132 O ILE A 72 -10.677 -1.202 1.515 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.239 -2.264 -0.427 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.676 -3.297 -1.403 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.109 -1.627 0.372 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.416 -2.847 -2.111 1.00 0.20 C ATOM 0 H ILE A 72 -11.136 -2.545 -0.494 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.914 -3.816 0.947 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.731 -1.468 -0.986 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.467 -4.219 -0.861 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.436 -3.531 -2.148 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.382 -1.188 -0.312 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.514 -0.849 1.019 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.621 -2.387 0.981 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -6.077 -3.633 -2.786 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.623 -1.942 -2.683 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.639 -2.641 -1.375 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.927 -1.983 2.697 1.00 0.13 N ATOM 1149 CA ILE A 73 -9.027 -1.046 3.812 1.00 0.13 C ATOM 1150 C ILE A 73 -7.616 -0.638 4.224 1.00 0.13 C ATOM 1151 O ILE A 73 -6.842 -1.465 4.694 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.742 -1.680 5.032 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.234 -1.888 4.741 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.545 -0.827 6.284 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -12.001 -0.601 4.503 1.00 0.24 C ATOM 0 H ILE A 73 -8.197 -2.684 2.825 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.612 -0.185 3.489 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.294 -2.656 5.217 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.337 -2.528 3.865 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.686 -2.419 5.578 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.056 -1.293 7.126 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.481 -0.746 6.505 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.957 0.168 6.115 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -13.047 -0.833 4.304 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.931 0.033 5.387 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.576 -0.077 3.646 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.244 0.625 4.017 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.895 1.094 4.265 1.00 0.18 C ATOM 1169 C PRO A 74 -5.697 1.751 5.634 1.00 0.17 C ATOM 1170 O PRO A 74 -6.158 2.869 5.876 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.705 2.116 3.146 1.00 0.23 C ATOM 1172 CG PRO A 74 -7.086 2.597 2.791 1.00 0.31 C ATOM 1173 CD PRO A 74 -8.082 1.698 3.486 1.00 0.23 C ATOM 0 HA PRO A 74 -5.178 0.273 4.275 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.075 2.943 3.474 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -5.214 1.665 2.284 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.222 3.632 3.105 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.234 2.569 1.712 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.615 2.223 4.279 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.834 1.318 2.794 1.00 0.23 H new ATOM 1181 N SER A 75 -5.023 1.037 6.531 1.00 0.16 N ATOM 1182 CA SER A 75 -4.510 1.632 7.763 1.00 0.17 C ATOM 1183 C SER A 75 -3.256 2.445 7.443 1.00 0.16 C ATOM 1184 O SER A 75 -2.802 3.269 8.232 1.00 0.20 O ATOM 1185 CB SER A 75 -4.203 0.546 8.793 1.00 0.20 C ATOM 1186 OG SER A 75 -5.390 -0.125 9.187 1.00 1.19 O ATOM 0 H SER A 75 -4.819 0.043 6.428 1.00 0.16 H new ATOM 0 HA SER A 75 -5.265 2.292 8.189 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.497 -0.171 8.373 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.725 0.991 9.666 1.00 0.20 H new ATOM 0 HG SER A 75 -5.171 -0.817 9.845 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.721 2.184 6.255 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.662 2.978 5.627 1.00 0.17 C ATOM 1194 C CYS A 76 -2.169 4.371 5.238 1.00 0.16 C ATOM 1195 O CYS A 76 -1.562 5.049 4.414 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.075 2.255 4.417 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.642 0.537 4.750 1.00 0.90 S ATOM 0 H CYS A 76 -3.018 1.393 5.684 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.866 3.105 6.361 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.794 2.289 3.599 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.185 2.788 4.081 1.00 0.25 H new ATOM 0 HG CYS A 76 0.634 0.448 4.980 1.00 0.90 H new ATOM 1203 N SER A 77 -3.344 4.724 5.759 1.00 0.20 N ATOM 1204 CA SER A 77 -4.091 5.925 5.390 1.00 0.25 C ATOM 1205 C SER A 77 -3.274 7.230 5.397 1.00 0.24 C ATOM 1206 O SER A 77 -3.804 8.269 5.021 1.00 0.26 O ATOM 1207 CB SER A 77 -5.293 6.061 6.324 1.00 0.34 C ATOM 1208 OG SER A 77 -4.932 5.764 7.664 1.00 0.71 O ATOM 0 H SER A 77 -3.816 4.165 6.470 1.00 0.20 H new ATOM 0 HA SER A 77 -4.396 5.788 4.353 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.690 7.075 6.267 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.088 5.389 6.000 1.00 0.34 H new ATOM 0 HG SER A 77 -5.717 5.859 8.243 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.012 7.201 5.819 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.110 8.310 5.514 1.00 0.24 C ATOM 1216 C TYR A 78 -1.066 8.478 3.998 1.00 0.20 C ATOM 1217 O TYR A 78 -1.201 9.583 3.470 1.00 0.21 O ATOM 1218 CB TYR A 78 0.306 8.047 6.060 1.00 0.27 C ATOM 1219 CG TYR A 78 1.417 8.372 5.072 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.863 9.675 4.891 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.010 7.370 4.313 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.864 9.968 3.981 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.008 7.651 3.401 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.435 8.954 3.238 1.00 0.25 C ATOM 1225 OH TYR A 78 4.436 9.244 2.336 1.00 0.30 O ATOM 0 H TYR A 78 -1.598 6.442 6.360 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.477 9.219 5.991 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.452 8.639 6.964 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.385 6.999 6.349 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.421 10.473 5.470 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.683 6.349 4.439 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.198 10.987 3.852 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.452 6.857 2.819 1.00 0.27 H new ATOM 0 HH TYR A 78 4.941 10.024 2.648 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.897 7.346 3.320 1.00 0.18 N ATOM 1236 CA VAL A 79 -0.936 7.280 1.873 1.00 0.17 C ATOM 1237 C VAL A 79 -2.310 7.679 1.388 1.00 0.18 C ATOM 1238 O VAL A 79 -2.458 8.545 0.540 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.649 5.849 1.372 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.801 5.761 -0.138 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.734 5.388 1.805 1.00 0.18 C ATOM 0 H VAL A 79 -0.728 6.445 3.768 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.173 7.956 1.487 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.383 5.182 1.824 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.593 4.742 -0.466 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.819 6.032 -0.418 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.100 6.446 -0.615 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.911 4.377 1.439 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.487 6.060 1.393 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.796 5.396 2.893 1.00 0.18 H new ATOM 1251 N SER A 80 -3.313 7.052 1.971 1.00 0.20 N ATOM 1252 CA SER A 80 -4.692 7.262 1.559 1.00 0.25 C ATOM 1253 C SER A 80 -5.077 8.731 1.651 1.00 0.23 C ATOM 1254 O SER A 80 -5.779 9.256 0.795 1.00 0.23 O ATOM 1255 CB SER A 80 -5.610 6.424 2.434 1.00 0.36 C ATOM 1256 OG SER A 80 -5.122 5.100 2.522 1.00 0.99 O ATOM 0 H SER A 80 -3.200 6.388 2.737 1.00 0.20 H new ATOM 0 HA SER A 80 -4.795 6.956 0.518 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.676 6.862 3.430 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.618 6.422 2.019 1.00 0.36 H new ATOM 0 HG SER A 80 -5.507 4.561 1.800 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.578 9.383 2.682 1.00 0.24 N ATOM 1263 CA ASP A 81 -4.897 10.775 2.952 1.00 0.25 C ATOM 1264 C ASP A 81 -4.398 11.692 1.836 1.00 0.25 C ATOM 1265 O ASP A 81 -5.153 12.496 1.303 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.271 11.201 4.280 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.169 12.707 4.437 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.215 13.386 4.493 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.032 13.216 4.523 1.00 0.47 O ATOM 0 H ASP A 81 -3.939 8.964 3.358 1.00 0.24 H new ATOM 0 HA ASP A 81 -5.982 10.865 3.006 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -4.864 10.796 5.100 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.275 10.765 4.361 1.00 0.31 H new ATOM 1274 N THR A 82 -3.109 11.603 1.520 1.00 0.23 N ATOM 1275 CA THR A 82 -2.516 12.466 0.500 1.00 0.25 C ATOM 1276 C THR A 82 -2.618 11.863 -0.912 1.00 0.22 C ATOM 1277 O THR A 82 -3.093 12.509 -1.849 1.00 0.23 O ATOM 1278 CB THR A 82 -1.043 12.819 0.847 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.483 13.686 -0.150 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.176 11.573 0.990 1.00 0.26 C ATOM 0 H THR A 82 -2.458 10.947 1.952 1.00 0.23 H new ATOM 0 HA THR A 82 -3.097 13.388 0.496 1.00 0.25 H new ATOM 0 HB THR A 82 -1.056 13.332 1.808 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.444 13.899 0.085 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.845 11.866 1.233 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.572 10.944 1.787 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.181 11.017 0.053 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.190 10.612 -1.047 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.012 9.980 -2.352 1.00 0.19 C ATOM 1290 C PHE A 83 -3.333 9.625 -3.021 1.00 0.19 C ATOM 1291 O PHE A 83 -3.466 9.744 -4.236 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.182 8.716 -2.198 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.421 8.338 -3.436 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.492 9.213 -4.001 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.627 7.107 -4.039 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.185 8.866 -5.144 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.063 6.755 -5.182 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.001 7.641 -5.719 1.00 2.24 C ATOM 0 H PHE A 83 -1.957 10.008 -0.258 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.504 10.704 -2.988 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.478 8.852 -1.377 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.839 7.892 -1.921 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.664 10.176 -3.543 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.336 6.415 -3.609 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.877 9.568 -5.586 1.00 1.50 H new ATOM 0 HE2 PHE A 83 -0.121 5.803 -5.657 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.579 7.358 -6.586 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.303 9.174 -2.242 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.564 8.712 -2.819 1.00 0.19 C ATOM 1310 C LEU A 84 -6.389 9.842 -3.443 1.00 0.22 C ATOM 1311 O LEU A 84 -6.990 9.647 -4.491 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.377 7.917 -1.805 1.00 0.20 C ATOM 1313 CG LEU A 84 -5.924 6.464 -1.661 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.779 5.719 -0.661 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -5.972 5.765 -3.004 1.00 0.34 C ATOM 0 H LEU A 84 -4.248 9.116 -1.225 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.301 8.044 -3.639 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.310 8.407 -0.834 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.426 7.934 -2.100 1.00 0.20 H new ATOM 0 HG LEU A 84 -4.898 6.468 -1.294 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.432 4.689 -0.581 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.705 6.203 0.313 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.817 5.727 -0.993 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -5.647 4.731 -2.888 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -6.992 5.784 -3.388 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.311 6.276 -3.704 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.454 11.034 -2.827 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.028 12.206 -3.491 1.00 0.26 C ATOM 1329 C PRO A 85 -6.201 12.625 -4.704 1.00 0.28 C ATOM 1330 O PRO A 85 -6.720 13.227 -5.646 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.987 13.298 -2.420 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.838 12.568 -1.134 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.064 11.322 -1.446 1.00 0.22 C ATOM 0 HA PRO A 85 -8.032 12.010 -3.866 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.154 13.982 -2.585 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.898 13.897 -2.431 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.313 13.178 -0.399 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.812 12.325 -0.710 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -4.989 11.480 -1.354 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.325 10.505 -0.773 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.914 12.305 -4.668 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.017 12.593 -5.780 1.00 0.31 C ATOM 1343 C ARG A 86 -4.377 11.725 -6.990 1.00 0.35 C ATOM 1344 O ARG A 86 -4.471 12.220 -8.113 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.563 12.380 -5.345 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.541 12.498 -6.464 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.125 12.461 -5.910 1.00 0.72 C ATOM 1348 NE ARG A 86 0.873 12.167 -6.942 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.151 12.542 -6.873 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.555 13.363 -5.909 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.017 12.132 -7.791 1.00 2.56 N ATOM 0 H ARG A 86 -4.466 11.843 -3.876 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.130 13.636 -6.077 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.319 13.108 -4.571 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.474 11.392 -4.893 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.679 11.684 -7.176 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.698 13.428 -7.009 1.00 0.75 H new ATOM 0 HD2 ARG A 86 0.106 13.421 -5.448 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.065 11.707 -5.125 1.00 0.72 H new ATOM 0 HE ARG A 86 0.572 11.643 -7.764 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.887 13.708 -5.220 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.533 13.648 -5.859 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.706 11.528 -8.552 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.994 12.420 -7.736 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.592 10.439 -6.753 1.00 0.30 N ATOM 1366 CA ASN A 87 -5.100 9.540 -7.786 1.00 0.37 C ATOM 1367 C ASN A 87 -6.191 8.639 -7.208 1.00 0.34 C ATOM 1368 O ASN A 87 -5.915 7.579 -6.649 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.974 8.713 -8.445 1.00 0.50 C ATOM 1370 CG ASN A 87 -3.035 8.038 -7.456 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -3.257 6.904 -7.031 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.950 8.718 -7.118 1.00 1.22 N ATOM 0 H ASN A 87 -4.423 9.991 -5.852 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.536 10.151 -8.576 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -4.423 7.950 -9.081 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.391 9.366 -9.094 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -1.265 8.304 -6.486 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.799 9.656 -7.490 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.458 9.076 -7.323 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.612 8.405 -6.707 1.00 0.42 C ATOM 1381 C PRO A 88 -9.067 7.174 -7.483 1.00 0.49 C ATOM 1382 O PRO A 88 -10.261 6.888 -7.571 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.714 9.478 -6.742 1.00 0.53 C ATOM 1384 CG PRO A 88 -9.065 10.722 -7.255 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.878 10.272 -8.051 1.00 0.46 C ATOM 0 HA PRO A 88 -8.371 8.041 -5.708 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.536 9.172 -7.389 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.133 9.638 -5.749 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.755 11.295 -7.874 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.760 11.370 -6.433 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -8.141 10.049 -9.085 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -7.094 11.029 -8.078 1.00 0.46 H new ATOM 1393 N SER A 89 -8.116 6.410 -7.987 1.00 0.30 N ATOM 1394 CA SER A 89 -8.424 5.278 -8.844 1.00 0.36 C ATOM 1395 C SER A 89 -8.631 4.010 -8.023 1.00 0.34 C ATOM 1396 O SER A 89 -8.807 2.922 -8.571 1.00 0.42 O ATOM 1397 CB SER A 89 -7.294 5.087 -9.860 1.00 0.44 C ATOM 1398 OG SER A 89 -6.028 5.349 -9.273 1.00 1.37 O ATOM 0 H SER A 89 -7.120 6.553 -7.818 1.00 0.30 H new ATOM 0 HA SER A 89 -9.354 5.480 -9.375 1.00 0.36 H new ATOM 0 HB2 SER A 89 -7.316 4.067 -10.245 1.00 0.44 H new ATOM 0 HB3 SER A 89 -7.449 5.752 -10.710 1.00 0.44 H new ATOM 0 HG SER A 89 -5.749 4.576 -8.738 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.625 4.155 -6.702 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.692 3.004 -5.815 1.00 0.28 C ATOM 1406 C TRP A 90 -9.828 3.166 -4.819 1.00 0.32 C ATOM 1407 O TRP A 90 -9.974 2.375 -3.885 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.363 2.836 -5.081 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.178 3.170 -5.935 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.424 4.301 -5.867 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.629 2.384 -6.999 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.438 4.270 -6.815 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.538 3.102 -7.522 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -5.950 1.141 -7.558 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.769 2.621 -8.575 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.183 0.665 -8.605 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.103 1.406 -9.103 1.00 0.38 C ATOM 0 H TRP A 90 -8.575 5.055 -6.225 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.883 2.112 -6.411 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.359 3.474 -4.197 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.274 1.807 -4.732 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.581 5.107 -5.166 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.741 4.999 -6.970 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.781 0.565 -7.178 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.936 3.188 -8.963 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.420 -0.292 -9.046 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.522 1.008 -9.922 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.635 4.203 -5.031 1.00 0.37 N ATOM 1429 CA LYS A 91 -11.822 4.438 -4.220 1.00 0.43 C ATOM 1430 C LYS A 91 -12.799 3.248 -4.304 1.00 0.41 C ATOM 1431 O LYS A 91 -13.352 2.848 -3.286 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.513 5.750 -4.629 1.00 0.55 C ATOM 1433 CG LYS A 91 -13.786 6.040 -3.847 1.00 1.20 C ATOM 1434 CD LYS A 91 -14.341 7.428 -4.140 1.00 1.38 C ATOM 1435 CE LYS A 91 -13.489 8.520 -3.511 1.00 1.83 C ATOM 1436 NZ LYS A 91 -14.004 9.878 -3.821 1.00 2.61 N ATOM 0 H LYS A 91 -10.485 4.897 -5.763 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.505 4.533 -3.182 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -11.816 6.576 -4.490 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -12.751 5.709 -5.692 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -14.539 5.291 -4.092 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -13.583 5.950 -2.780 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -14.389 7.580 -5.218 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -15.361 7.499 -3.762 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -13.462 8.381 -2.430 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -12.464 8.431 -3.870 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -13.394 10.591 -3.373 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -14.006 10.022 -4.851 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -14.973 9.973 -3.456 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.026 2.654 -5.508 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.859 1.446 -5.654 1.00 0.42 C ATOM 1452 C PRO A 92 -13.375 0.248 -4.834 1.00 0.38 C ATOM 1453 O PRO A 92 -14.098 -0.740 -4.686 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.783 1.116 -7.152 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.626 1.894 -7.668 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.569 3.131 -6.825 1.00 0.43 C ATOM 0 HA PRO A 92 -14.866 1.639 -5.285 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.641 0.047 -7.312 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.704 1.395 -7.663 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.702 1.322 -7.589 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.758 2.142 -8.721 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.560 3.542 -6.778 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.215 3.917 -7.216 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.161 0.331 -4.313 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.589 -0.758 -3.535 1.00 0.26 C ATOM 1466 C LEU A 93 -11.784 -0.511 -2.050 1.00 0.22 C ATOM 1467 O LEU A 93 -12.218 -1.394 -1.310 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.102 -0.896 -3.842 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.775 -1.009 -5.327 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.273 -0.929 -5.552 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.328 -2.308 -5.897 1.00 0.26 C ATOM 0 H LEU A 93 -11.551 1.142 -4.415 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.100 -1.681 -3.808 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.577 -0.034 -3.431 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.718 -1.778 -3.329 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.246 -0.174 -5.846 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.060 -1.012 -6.618 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.900 0.025 -5.180 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.781 -1.743 -5.020 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.086 -2.372 -6.958 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.885 -3.154 -5.372 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.410 -2.329 -5.770 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.457 0.697 -1.623 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.573 1.071 -0.224 1.00 0.22 C ATOM 1485 C ILE A 94 -12.806 1.944 -0.015 1.00 0.27 C ATOM 1486 O ILE A 94 -13.796 1.807 -0.726 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.320 1.838 0.261 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.220 3.214 -0.390 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.062 1.045 -0.044 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.346 4.152 0.398 1.00 0.75 C ATOM 0 H ILE A 94 -11.107 1.439 -2.229 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.665 0.153 0.356 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.417 1.971 1.339 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.821 3.109 -1.399 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.218 3.643 -0.485 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.190 1.599 0.304 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.107 0.082 0.464 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -8.985 0.884 -1.119 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.305 5.119 -0.104 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.759 4.280 1.399 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.340 3.738 0.471 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.755 2.818 0.979 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.752 3.851 1.113 1.00 0.43 C ATOM 1504 C HIS A 95 -13.402 5.021 0.187 1.00 0.39 C ATOM 1505 O HIS A 95 -14.025 5.172 -0.857 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.880 4.284 2.572 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.544 3.250 3.435 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -15.839 2.820 3.236 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.077 2.546 4.491 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -16.138 1.899 4.133 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -15.085 1.714 4.905 1.00 1.70 N ATOM 0 H HIS A 95 -12.033 2.827 1.699 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.726 3.466 0.812 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.888 4.499 2.970 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -14.451 5.211 2.621 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.092 2.625 4.927 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -17.084 1.385 4.220 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.029 1.058 5.684 1.00 1.70 H new ATOM 1520 N SER A 96 -12.384 5.823 0.538 1.00 0.41 N ATOM 1521 CA SER A 96 -11.923 6.909 -0.345 1.00 0.49 C ATOM 1522 C SER A 96 -10.543 7.433 0.072 1.00 0.67 C ATOM 1523 O SER A 96 -9.600 7.415 -0.710 1.00 1.53 O ATOM 1524 CB SER A 96 -12.902 8.094 -0.331 1.00 0.51 C ATOM 1525 OG SER A 96 -14.233 7.708 -0.625 1.00 1.43 O ATOM 0 H SER A 96 -11.869 5.743 1.415 1.00 0.41 H new ATOM 0 HA SER A 96 -11.866 6.482 -1.346 1.00 0.49 H new ATOM 0 HB2 SER A 96 -12.875 8.571 0.649 1.00 0.51 H new ATOM 0 HB3 SER A 96 -12.575 8.838 -1.057 1.00 0.51 H new ATOM 0 HG SER A 96 -14.228 6.852 -1.102 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.446 7.880 1.319 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.297 8.623 1.814 1.00 0.52 C ATOM 1533 C GLU A 97 -9.275 8.487 3.342 1.00 0.61 C ATOM 1534 O GLU A 97 -9.932 7.592 3.874 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.429 10.084 1.362 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.280 11.004 1.731 1.00 1.09 C ATOM 1537 CD GLU A 97 -8.779 12.296 2.333 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.082 12.320 3.545 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -8.840 13.304 1.595 1.00 1.89 O ATOM 0 H GLU A 97 -11.172 7.734 2.021 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.357 8.238 1.420 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.546 10.099 0.278 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.346 10.493 1.787 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -7.622 10.501 2.440 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.686 11.220 0.843 1.00 1.09 H new ATOM 1546 N VAL A 98 -8.578 9.366 4.051 1.00 0.58 N ATOM 1547 CA VAL A 98 -8.439 9.219 5.492 1.00 0.73 C ATOM 1548 C VAL A 98 -9.652 9.789 6.249 1.00 1.10 C ATOM 1549 O VAL A 98 -10.225 9.115 7.104 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.128 9.851 6.022 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -7.148 11.367 5.933 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -6.868 9.404 7.446 1.00 0.79 C ATOM 0 H VAL A 98 -8.105 10.179 3.656 1.00 0.58 H new ATOM 0 HA VAL A 98 -8.394 8.147 5.683 1.00 0.73 H new ATOM 0 HB VAL A 98 -6.315 9.502 5.385 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -6.209 11.766 6.316 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -7.274 11.669 4.893 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -7.976 11.755 6.526 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -5.944 9.856 7.806 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -7.696 9.716 8.082 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -6.777 8.318 7.476 1.00 0.79 H new ATOM 1562 N PHE A 99 -10.069 11.010 5.910 1.00 1.35 N ATOM 1563 CA PHE A 99 -11.153 11.680 6.622 1.00 1.84 C ATOM 1564 C PHE A 99 -12.123 12.302 5.632 1.00 1.68 C ATOM 1565 O PHE A 99 -12.837 13.252 5.948 1.00 2.21 O ATOM 1566 CB PHE A 99 -10.608 12.742 7.583 1.00 2.46 C ATOM 1567 CG PHE A 99 -9.905 12.163 8.779 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -10.606 11.421 9.717 1.00 3.94 C ATOM 1569 CD2 PHE A 99 -8.548 12.358 8.965 1.00 3.78 C ATOM 1570 CE1 PHE A 99 -9.965 10.887 10.818 1.00 5.00 C ATOM 1571 CE2 PHE A 99 -7.902 11.824 10.066 1.00 4.85 C ATOM 1572 CZ PHE A 99 -8.611 11.086 10.992 1.00 5.42 C ATOM 0 H PHE A 99 -9.670 11.554 5.145 1.00 1.35 H new ATOM 0 HA PHE A 99 -11.685 10.936 7.215 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -9.917 13.389 7.043 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -11.432 13.369 7.924 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -11.666 11.259 9.585 1.00 3.94 H new ATOM 0 HD2 PHE A 99 -7.987 12.933 8.243 1.00 3.78 H new ATOM 0 HE1 PHE A 99 -10.524 10.314 11.543 1.00 5.00 H new ATOM 0 HE2 PHE A 99 -6.843 11.985 10.201 1.00 4.85 H new ATOM 0 HZ PHE A 99 -8.107 10.666 11.850 1.00 5.42 H new ATOM 1582 N LYS A 100 -12.137 11.740 4.432 1.00 1.18 N ATOM 1583 CA LYS A 100 -13.091 12.121 3.396 1.00 1.33 C ATOM 1584 C LYS A 100 -14.520 11.854 3.849 1.00 1.40 C ATOM 1585 O LYS A 100 -15.467 12.438 3.328 1.00 2.17 O ATOM 1586 CB LYS A 100 -12.784 11.339 2.118 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.442 9.871 2.358 1.00 1.30 C ATOM 1588 CD LYS A 100 -13.639 9.054 2.799 1.00 1.47 C ATOM 1589 CE LYS A 100 -13.269 7.626 3.174 1.00 2.02 C ATOM 1590 NZ LYS A 100 -12.535 7.534 4.467 1.00 2.63 N ATOM 0 H LYS A 100 -11.488 11.007 4.147 1.00 1.18 H new ATOM 0 HA LYS A 100 -12.996 13.189 3.202 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -13.645 11.397 1.453 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -11.950 11.817 1.603 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -12.033 9.443 1.442 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -11.662 9.804 3.117 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -14.110 9.539 3.654 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -14.377 9.035 1.997 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -14.177 7.026 3.235 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -12.655 7.196 2.383 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -11.564 7.204 4.292 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -12.506 8.471 4.917 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -13.021 6.863 5.095 1.00 2.63 H new ATOM 1604 N SER A 101 -14.637 10.944 4.814 1.00 1.46 N ATOM 1605 CA SER A 101 -15.898 10.549 5.414 1.00 1.92 C ATOM 1606 C SER A 101 -16.948 10.166 4.367 1.00 1.73 C ATOM 1607 O SER A 101 -17.724 10.998 3.886 1.00 2.45 O ATOM 1608 CB SER A 101 -16.371 11.650 6.355 1.00 2.55 C ATOM 1609 OG SER A 101 -16.838 12.797 5.662 1.00 3.05 O ATOM 0 H SER A 101 -13.834 10.452 5.206 1.00 1.46 H new ATOM 0 HA SER A 101 -15.743 9.642 5.998 1.00 1.92 H new ATOM 0 HB2 SER A 101 -17.169 11.263 6.989 1.00 2.55 H new ATOM 0 HB3 SER A 101 -15.551 11.937 7.014 1.00 2.55 H new ATOM 0 HG SER A 101 -16.929 12.589 4.709 1.00 3.05 H new ATOM 1615 N SER A 102 -16.943 8.892 4.009 1.00 1.56 N ATOM 1616 CA SER A 102 -17.876 8.355 3.037 1.00 1.80 C ATOM 1617 C SER A 102 -18.723 7.271 3.691 1.00 2.12 C ATOM 1618 O SER A 102 -18.666 7.080 4.909 1.00 2.73 O ATOM 1619 CB SER A 102 -17.108 7.790 1.836 1.00 2.23 C ATOM 1620 OG SER A 102 -16.326 8.801 1.224 1.00 2.75 O ATOM 0 H SER A 102 -16.292 8.203 4.385 1.00 1.56 H new ATOM 0 HA SER A 102 -18.534 9.149 2.683 1.00 1.80 H new ATOM 0 HB2 SER A 102 -16.465 6.972 2.161 1.00 2.23 H new ATOM 0 HB3 SER A 102 -17.809 7.376 1.111 1.00 2.23 H new ATOM 0 HG SER A 102 -15.650 8.388 0.647 1.00 2.75 H new ATOM 1626 N ILE A 103 -19.514 6.575 2.898 1.00 2.41 N ATOM 1627 CA ILE A 103 -20.302 5.472 3.407 1.00 3.09 C ATOM 1628 C ILE A 103 -19.740 4.155 2.885 1.00 3.67 C ATOM 1629 O ILE A 103 -19.138 3.408 3.680 1.00 4.17 O ATOM 1630 CB ILE A 103 -21.805 5.625 3.059 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -22.580 4.363 3.453 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -22.003 5.956 1.584 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -24.069 4.464 3.209 1.00 5.26 C ATOM 1634 OXT ILE A 103 -19.844 3.896 1.669 1.00 4.12 O ATOM 0 H ILE A 103 -19.627 6.754 1.900 1.00 2.41 H new ATOM 0 HA ILE A 103 -20.235 5.476 4.495 1.00 3.09 H new ATOM 0 HB ILE A 103 -22.201 6.461 3.635 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -22.186 3.515 2.893 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -22.407 4.156 4.509 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -23.068 6.057 1.373 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -21.497 6.893 1.350 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -21.586 5.156 0.972 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -24.551 3.534 3.511 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -24.478 5.291 3.790 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -24.253 4.640 2.149 1.00 5.26 H new TER 1646 ILE A 103