USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 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 69 SER OG : rot -161:sc= 0.388 USER MOD Set 1.2: A 71 SER OG : rot -45:sc= 0.024 USER MOD Set 2.1: A 44 TYR OH : rot 37:sc= 1.19 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.181 K(o=1.4,f=-7.5!) USER MOD Set 3.1: A 43 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=0) USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= 0 (180deg=-0.0101) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00948 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.431 X(o=-0.43,f=-0.42) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -127:sc= 0.232 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 38 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.096) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.6) USER MOD Single : A 85 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.28) USER MOD Single : A 88 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.34) USER MOD Single : A 89 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.34) USER MOD Single : A 90 HIS : no HE2:sc= 0.0347 X(o=0.035,f=-0.22) USER MOD Single : A 91 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.063) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 140.527 -10.572 10.566 1.00 0.00 N ATOM 2 CA GLN A 1 141.874 -9.996 10.289 1.00 0.00 C ATOM 3 C GLN A 1 142.365 -10.379 8.892 1.00 0.00 C ATOM 4 O GLN A 1 143.223 -11.252 8.744 1.00 0.00 O ATOM 5 CB GLN A 1 142.854 -10.501 11.355 1.00 0.00 C ATOM 6 CG GLN A 1 142.687 -9.825 12.706 1.00 0.00 C ATOM 7 CD GLN A 1 142.885 -10.781 13.867 1.00 0.00 C ATOM 8 OE1 GLN A 1 141.920 -11.229 14.485 1.00 0.00 O ATOM 9 NE2 GLN A 1 144.138 -11.098 14.171 1.00 0.00 N ATOM 0 H1 GLN A 1 140.169 -10.200 11.469 1.00 0.00 H new ATOM 0 H2 GLN A 1 139.873 -10.310 9.800 1.00 0.00 H new ATOM 0 H3 GLN A 1 140.597 -11.608 10.622 1.00 0.00 H new ATOM 0 HA GLN A 1 141.810 -8.908 10.326 1.00 0.00 H new ATOM 0 HB2 GLN A 1 142.722 -11.576 11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 1 143.873 -10.343 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 1 143.402 -9.006 12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 1 141.691 -9.386 12.768 1.00 0.00 H new ATOM 0 HE21 GLN A 1 144.909 -10.703 13.632 1.00 0.00 H new ATOM 0 HE22 GLN A 1 144.330 -11.736 14.943 1.00 0.00 H new ATOM 17 N SER A 2 141.816 -9.720 7.869 1.00 0.00 N ATOM 18 CA SER A 2 142.199 -9.994 6.486 1.00 0.00 C ATOM 19 C SER A 2 142.129 -8.730 5.631 1.00 0.00 C ATOM 20 O SER A 2 141.341 -7.825 5.915 1.00 0.00 O ATOM 21 CB SER A 2 141.291 -11.070 5.889 1.00 0.00 C ATOM 22 OG SER A 2 141.261 -12.227 6.707 1.00 0.00 O ATOM 0 H SER A 2 141.106 -8.995 7.974 1.00 0.00 H new ATOM 0 HA SER A 2 143.229 -10.350 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 2 140.281 -10.675 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 141.644 -11.335 4.892 1.00 0.00 H new ATOM 0 HG SER A 2 140.672 -12.898 6.303 1.00 0.00 H new ATOM 28 N ASP A 3 142.957 -8.686 4.580 1.00 0.00 N ATOM 29 CA ASP A 3 143.008 -7.546 3.658 1.00 0.00 C ATOM 30 C ASP A 3 143.590 -6.305 4.334 1.00 0.00 C ATOM 31 O ASP A 3 143.368 -6.067 5.523 1.00 0.00 O ATOM 32 CB ASP A 3 141.616 -7.234 3.092 1.00 0.00 C ATOM 33 CG ASP A 3 141.424 -7.782 1.689 1.00 0.00 C ATOM 34 OD1 ASP A 3 141.708 -8.981 1.473 1.00 0.00 O ATOM 35 OD2 ASP A 3 140.988 -7.013 0.806 1.00 0.00 O ATOM 0 H ASP A 3 143.607 -9.436 4.346 1.00 0.00 H new ATOM 0 HA ASP A 3 143.666 -7.825 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 3 140.856 -7.655 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 3 141.465 -6.155 3.081 1.00 0.00 H new ATOM 40 N VAL A 4 144.345 -5.519 3.565 1.00 0.00 N ATOM 41 CA VAL A 4 144.969 -4.303 4.081 1.00 0.00 C ATOM 42 C VAL A 4 144.897 -3.169 3.060 1.00 0.00 C ATOM 43 O VAL A 4 145.370 -3.310 1.930 1.00 0.00 O ATOM 44 CB VAL A 4 146.449 -4.543 4.458 1.00 0.00 C ATOM 45 CG1 VAL A 4 147.014 -3.346 5.211 1.00 0.00 C ATOM 46 CG2 VAL A 4 146.598 -5.814 5.282 1.00 0.00 C ATOM 0 H VAL A 4 144.539 -5.705 2.581 1.00 0.00 H new ATOM 0 HA VAL A 4 144.413 -4.021 4.975 1.00 0.00 H new ATOM 0 HB VAL A 4 147.017 -4.667 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 4 148.056 -3.536 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 4 146.951 -2.458 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 4 146.440 -3.186 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 4 147.648 -5.962 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 4 146.013 -5.725 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 4 146.240 -6.666 4.704 1.00 0.00 H new ATOM 56 N ARG A 5 144.308 -2.044 3.469 1.00 0.00 N ATOM 57 CA ARG A 5 144.179 -0.879 2.595 1.00 0.00 C ATOM 58 C ARG A 5 145.412 0.016 2.708 1.00 0.00 C ATOM 59 O ARG A 5 145.614 0.682 3.725 1.00 0.00 O ATOM 60 CB ARG A 5 142.921 -0.080 2.952 1.00 0.00 C ATOM 61 CG ARG A 5 141.695 -0.476 2.145 1.00 0.00 C ATOM 62 CD ARG A 5 140.932 -1.615 2.804 1.00 0.00 C ATOM 63 NE ARG A 5 139.852 -1.129 3.662 1.00 0.00 N ATOM 64 CZ ARG A 5 138.744 -0.536 3.207 1.00 0.00 C ATOM 65 NH1 ARG A 5 138.566 -0.347 1.901 1.00 0.00 N ATOM 66 NH2 ARG A 5 137.811 -0.128 4.062 1.00 0.00 N ATOM 0 H ARG A 5 143.913 -1.916 4.401 1.00 0.00 H new ATOM 0 HA ARG A 5 144.094 -1.232 1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 5 142.706 -0.213 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 5 143.119 0.981 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 5 141.038 0.387 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 5 142.000 -0.775 1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 5 140.518 -2.267 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 5 141.621 -2.218 3.395 1.00 0.00 H new ATOM 0 HE ARG A 5 139.950 -1.250 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 5 139.278 -0.656 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 5 137.717 0.106 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 5 137.941 -0.268 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 5 136.965 0.325 3.716 1.00 0.00 H new ATOM 80 N ILE A 6 146.235 0.024 1.659 1.00 0.00 N ATOM 81 CA ILE A 6 147.451 0.833 1.643 1.00 0.00 C ATOM 82 C ILE A 6 147.308 2.017 0.686 1.00 0.00 C ATOM 83 O ILE A 6 147.002 1.839 -0.495 1.00 0.00 O ATOM 84 CB ILE A 6 148.684 -0.007 1.238 1.00 0.00 C ATOM 85 CG1 ILE A 6 148.726 -1.315 2.036 1.00 0.00 C ATOM 86 CG2 ILE A 6 149.967 0.787 1.450 1.00 0.00 C ATOM 87 CD1 ILE A 6 149.689 -2.340 1.474 1.00 0.00 C ATOM 0 H ILE A 6 146.081 -0.521 0.811 1.00 0.00 H new ATOM 0 HA ILE A 6 147.599 1.206 2.656 1.00 0.00 H new ATOM 0 HB ILE A 6 148.601 -0.250 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 6 149.006 -1.093 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.725 -1.746 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.824 0.179 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 6 149.940 1.691 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.056 1.060 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 6 149.664 -3.239 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 6 149.398 -2.592 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 6 150.698 -1.929 1.473 1.00 0.00 H new ATOM 99 N LYS A 7 147.536 3.224 1.205 1.00 0.00 N ATOM 100 CA LYS A 7 147.438 4.439 0.401 1.00 0.00 C ATOM 101 C LYS A 7 148.811 4.850 -0.123 1.00 0.00 C ATOM 102 O LYS A 7 149.733 5.104 0.655 1.00 0.00 O ATOM 103 CB LYS A 7 146.828 5.580 1.222 1.00 0.00 C ATOM 104 CG LYS A 7 146.548 6.835 0.408 1.00 0.00 C ATOM 105 CD LYS A 7 145.600 7.774 1.138 1.00 0.00 C ATOM 106 CE LYS A 7 144.178 7.649 0.613 1.00 0.00 C ATOM 107 NZ LYS A 7 143.263 8.649 1.233 1.00 0.00 N ATOM 0 H LYS A 7 147.790 3.385 2.180 1.00 0.00 H new ATOM 0 HA LYS A 7 146.788 4.231 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 7 145.898 5.235 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 7 147.505 5.831 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 7 147.485 7.352 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 7 146.117 6.557 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 7 145.616 7.552 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 7 145.943 8.802 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 144.178 7.780 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 7 143.805 6.644 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 142.305 8.529 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 143.242 8.508 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 143.603 9.609 1.022 1.00 0.00 H new ATOM 121 N PHE A 8 148.938 4.912 -1.447 1.00 0.00 N ATOM 122 CA PHE A 8 150.196 5.292 -2.086 1.00 0.00 C ATOM 123 C PHE A 8 150.053 6.633 -2.802 1.00 0.00 C ATOM 124 O PHE A 8 149.139 6.819 -3.608 1.00 0.00 O ATOM 125 CB PHE A 8 150.635 4.209 -3.076 1.00 0.00 C ATOM 126 CG PHE A 8 151.104 2.941 -2.412 1.00 0.00 C ATOM 127 CD1 PHE A 8 152.276 2.922 -1.672 1.00 0.00 C ATOM 128 CD2 PHE A 8 150.373 1.770 -2.531 1.00 0.00 C ATOM 129 CE1 PHE A 8 152.709 1.759 -1.064 1.00 0.00 C ATOM 130 CE2 PHE A 8 150.801 0.604 -1.925 1.00 0.00 C ATOM 131 CZ PHE A 8 151.971 0.599 -1.191 1.00 0.00 C ATOM 0 H PHE A 8 148.183 4.703 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 8 150.958 5.393 -1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 8 149.802 3.976 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 8 151.438 4.602 -3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 8 152.857 3.826 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 8 149.458 1.768 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 8 153.624 1.757 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 8 150.222 -0.302 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 8 152.308 -0.311 -0.717 1.00 0.00 H new ATOM 141 N GLU A 9 150.957 7.566 -2.499 1.00 0.00 N ATOM 142 CA GLU A 9 150.926 8.894 -3.110 1.00 0.00 C ATOM 143 C GLU A 9 152.244 9.216 -3.813 1.00 0.00 C ATOM 144 O GLU A 9 153.324 8.901 -3.310 1.00 0.00 O ATOM 145 CB GLU A 9 150.619 9.963 -2.055 1.00 0.00 C ATOM 146 CG GLU A 9 151.450 9.828 -0.786 1.00 0.00 C ATOM 147 CD GLU A 9 151.489 11.100 0.041 1.00 0.00 C ATOM 148 OE1 GLU A 9 151.816 12.168 -0.521 1.00 0.00 O ATOM 149 OE2 GLU A 9 151.195 11.027 1.253 1.00 0.00 O ATOM 0 H GLU A 9 151.718 7.426 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 9 150.134 8.894 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 9 150.791 10.948 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 9 149.562 9.910 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 9 151.044 9.019 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 9 152.468 9.545 -1.054 1.00 0.00 H new ATOM 156 N HIS A 10 152.139 9.850 -4.981 1.00 0.00 N ATOM 157 CA HIS A 10 153.308 10.227 -5.768 1.00 0.00 C ATOM 158 C HIS A 10 153.136 11.632 -6.339 1.00 0.00 C ATOM 159 O HIS A 10 152.256 11.868 -7.169 1.00 0.00 O ATOM 160 CB HIS A 10 153.526 9.224 -6.903 1.00 0.00 C ATOM 161 CG HIS A 10 154.888 9.295 -7.522 1.00 0.00 C ATOM 162 ND1 HIS A 10 155.109 9.104 -8.868 1.00 0.00 N ATOM 163 CD2 HIS A 10 156.104 9.528 -6.973 1.00 0.00 C ATOM 164 CE1 HIS A 10 156.401 9.214 -9.122 1.00 0.00 C ATOM 165 NE2 HIS A 10 157.027 9.473 -7.989 1.00 0.00 N ATOM 0 H HIS A 10 151.249 10.114 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 10 154.181 10.219 -5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 10 153.364 8.216 -6.520 1.00 0.00 H new ATOM 0 HB3 HIS A 10 152.777 9.396 -7.676 1.00 0.00 H new ATOM 0 HD1 HIS A 10 154.387 8.908 -9.561 1.00 0.00 H new ATOM 0 HD2 HIS A 10 156.310 9.721 -5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 10 156.866 9.110 -10.091 1.00 0.00 H new ATOM 174 N ASN A 11 153.979 12.561 -5.884 1.00 0.00 N ATOM 175 CA ASN A 11 153.926 13.951 -6.341 1.00 0.00 C ATOM 176 C ASN A 11 152.577 14.593 -6.001 1.00 0.00 C ATOM 177 O ASN A 11 152.030 15.371 -6.787 1.00 0.00 O ATOM 178 CB ASN A 11 154.187 14.028 -7.850 1.00 0.00 C ATOM 179 CG ASN A 11 154.943 15.285 -8.241 1.00 0.00 C ATOM 180 OD1 ASN A 11 154.486 16.401 -7.991 1.00 0.00 O ATOM 181 ND2 ASN A 11 156.107 15.114 -8.858 1.00 0.00 N ATOM 0 H ASN A 11 154.709 12.375 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 11 154.706 14.507 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 11 154.756 13.153 -8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 11 153.237 13.998 -8.383 1.00 0.00 H new ATOM 0 HD21 ASN A 11 156.657 15.924 -9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 11 156.451 14.172 -9.047 1.00 0.00 H new ATOM 188 N GLY A 12 152.044 14.259 -4.824 1.00 0.00 N ATOM 189 CA GLY A 12 150.764 14.806 -4.399 1.00 0.00 C ATOM 190 C GLY A 12 149.569 13.981 -4.867 1.00 0.00 C ATOM 191 O GLY A 12 148.456 14.166 -4.370 1.00 0.00 O ATOM 0 H GLY A 12 152.477 13.619 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 12 150.748 14.871 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 12 150.667 15.822 -4.780 1.00 0.00 H new ATOM 195 N GLU A 13 149.794 13.070 -5.821 1.00 0.00 N ATOM 196 CA GLU A 13 148.726 12.223 -6.344 1.00 0.00 C ATOM 197 C GLU A 13 148.589 10.950 -5.514 1.00 0.00 C ATOM 198 O GLU A 13 149.419 10.045 -5.609 1.00 0.00 O ATOM 199 CB GLU A 13 149.000 11.868 -7.810 1.00 0.00 C ATOM 200 CG GLU A 13 147.899 11.039 -8.456 1.00 0.00 C ATOM 201 CD GLU A 13 146.967 11.874 -9.314 1.00 0.00 C ATOM 202 OE1 GLU A 13 146.129 12.603 -8.743 1.00 0.00 O ATOM 203 OE2 GLU A 13 147.075 11.797 -10.555 1.00 0.00 O ATOM 0 H GLU A 13 150.707 12.904 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 13 147.790 12.777 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 13 149.131 12.788 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 149.940 11.319 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 13 148.349 10.258 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 13 147.321 10.540 -7.678 1.00 0.00 H new ATOM 210 N ARG A 14 147.535 10.886 -4.701 1.00 0.00 N ATOM 211 CA ARG A 14 147.294 9.721 -3.855 1.00 0.00 C ATOM 212 C ARG A 14 146.407 8.701 -4.565 1.00 0.00 C ATOM 213 O ARG A 14 145.651 9.044 -5.477 1.00 0.00 O ATOM 214 CB ARG A 14 146.652 10.135 -2.522 1.00 0.00 C ATOM 215 CG ARG A 14 145.323 10.867 -2.666 1.00 0.00 C ATOM 216 CD ARG A 14 144.157 9.895 -2.787 1.00 0.00 C ATOM 217 NE ARG A 14 143.427 10.070 -4.042 1.00 0.00 N ATOM 218 CZ ARG A 14 142.722 9.107 -4.642 1.00 0.00 C ATOM 219 NH1 ARG A 14 142.620 7.899 -4.094 1.00 0.00 N ATOM 220 NH2 ARG A 14 142.114 9.358 -5.796 1.00 0.00 N ATOM 0 H ARG A 14 146.838 11.625 -4.611 1.00 0.00 H new ATOM 0 HA ARG A 14 148.259 9.258 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 14 146.498 9.244 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 14 147.349 10.774 -1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 14 145.169 11.515 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 14 145.354 11.509 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 14 144.529 8.872 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 14 143.476 10.039 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 14 143.458 10.987 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 14 143.083 7.701 -3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 14 142.079 7.171 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 14 142.187 10.283 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 14 141.575 8.626 -6.258 1.00 0.00 H new ATOM 234 N ARG A 15 146.513 7.443 -4.141 1.00 0.00 N ATOM 235 CA ARG A 15 145.731 6.360 -4.728 1.00 0.00 C ATOM 236 C ARG A 15 145.388 5.302 -3.682 1.00 0.00 C ATOM 237 O ARG A 15 146.062 5.187 -2.655 1.00 0.00 O ATOM 238 CB ARG A 15 146.503 5.721 -5.884 1.00 0.00 C ATOM 239 CG ARG A 15 145.660 5.492 -7.127 1.00 0.00 C ATOM 240 CD ARG A 15 146.031 4.191 -7.821 1.00 0.00 C ATOM 241 NE ARG A 15 144.853 3.385 -8.139 1.00 0.00 N ATOM 242 CZ ARG A 15 144.889 2.258 -8.854 1.00 0.00 C ATOM 243 NH1 ARG A 15 146.042 1.793 -9.327 1.00 0.00 N ATOM 244 NH2 ARG A 15 143.765 1.593 -9.094 1.00 0.00 N ATOM 0 H ARG A 15 147.137 7.149 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 15 144.799 6.781 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 15 147.349 6.359 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 15 146.913 4.767 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 15 144.605 5.472 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 15 145.794 6.325 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 15 146.577 4.412 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 15 146.701 3.617 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 15 143.948 3.703 -7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 15 146.909 2.298 -9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 15 146.059 0.931 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 15 142.878 1.944 -8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 15 143.789 0.732 -9.640 1.00 0.00 H new ATOM 258 N ILE A 16 144.336 4.530 -3.952 1.00 0.00 N ATOM 259 CA ILE A 16 143.896 3.479 -3.039 1.00 0.00 C ATOM 260 C ILE A 16 144.065 2.098 -3.670 1.00 0.00 C ATOM 261 O ILE A 16 143.482 1.811 -4.718 1.00 0.00 O ATOM 262 CB ILE A 16 142.419 3.668 -2.626 1.00 0.00 C ATOM 263 CG1 ILE A 16 142.174 5.100 -2.135 1.00 0.00 C ATOM 264 CG2 ILE A 16 142.031 2.661 -1.550 1.00 0.00 C ATOM 265 CD1 ILE A 16 140.862 5.686 -2.612 1.00 0.00 C ATOM 0 H ILE A 16 143.772 4.614 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 16 144.523 3.550 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 16 141.794 3.494 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 16 142.192 5.110 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 16 142.992 5.737 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 16 140.988 2.810 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 16 142.164 1.649 -1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 16 142.664 2.803 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 16 140.755 6.700 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 16 140.848 5.708 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 16 140.037 5.072 -2.251 1.00 0.00 H new ATOM 277 N ILE A 17 144.864 1.249 -3.024 1.00 0.00 N ATOM 278 CA ILE A 17 145.107 -0.104 -3.518 1.00 0.00 C ATOM 279 C ILE A 17 144.912 -1.130 -2.403 1.00 0.00 C ATOM 280 O ILE A 17 145.503 -1.012 -1.326 1.00 0.00 O ATOM 281 CB ILE A 17 146.529 -0.252 -4.106 1.00 0.00 C ATOM 282 CG1 ILE A 17 146.793 0.829 -5.161 1.00 0.00 C ATOM 283 CG2 ILE A 17 146.716 -1.639 -4.708 1.00 0.00 C ATOM 284 CD1 ILE A 17 148.248 1.235 -5.261 1.00 0.00 C ATOM 0 H ILE A 17 145.353 1.475 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 17 144.384 -0.288 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 17 147.248 -0.126 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 17 146.458 0.466 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 17 146.194 1.709 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 17 147.723 -1.725 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 17 146.573 -2.394 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 17 145.987 -1.792 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 17 148.360 2.003 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 17 148.583 1.628 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 17 148.851 0.367 -5.527 1.00 0.00 H new ATOM 296 N ALA A 18 144.076 -2.134 -2.667 1.00 0.00 N ATOM 297 CA ALA A 18 143.797 -3.182 -1.688 1.00 0.00 C ATOM 298 C ALA A 18 144.774 -4.347 -1.832 1.00 0.00 C ATOM 299 O ALA A 18 145.215 -4.666 -2.937 1.00 0.00 O ATOM 300 CB ALA A 18 142.364 -3.673 -1.834 1.00 0.00 C ATOM 0 H ALA A 18 143.580 -2.243 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 18 143.925 -2.756 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 18 142.170 -4.454 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 18 141.677 -2.843 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 18 142.217 -4.075 -2.837 1.00 0.00 H new ATOM 306 N PHE A 19 145.107 -4.976 -0.705 1.00 0.00 N ATOM 307 CA PHE A 19 146.032 -6.107 -0.696 1.00 0.00 C ATOM 308 C PHE A 19 145.547 -7.205 0.249 1.00 0.00 C ATOM 309 O PHE A 19 145.168 -6.929 1.389 1.00 0.00 O ATOM 310 CB PHE A 19 147.431 -5.642 -0.282 1.00 0.00 C ATOM 311 CG PHE A 19 148.229 -5.053 -1.412 1.00 0.00 C ATOM 312 CD1 PHE A 19 148.761 -5.867 -2.400 1.00 0.00 C ATOM 313 CD2 PHE A 19 148.446 -3.686 -1.487 1.00 0.00 C ATOM 314 CE1 PHE A 19 149.493 -5.329 -3.441 1.00 0.00 C ATOM 315 CE2 PHE A 19 149.177 -3.143 -2.526 1.00 0.00 C ATOM 316 CZ PHE A 19 149.701 -3.965 -3.504 1.00 0.00 C ATOM 0 H PHE A 19 144.749 -4.720 0.215 1.00 0.00 H new ATOM 0 HA PHE A 19 146.074 -6.517 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 19 147.338 -4.900 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 19 147.977 -6.488 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 19 148.601 -6.934 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 19 148.039 -3.038 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 19 149.902 -5.974 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 19 149.339 -2.076 -2.573 1.00 0.00 H new ATOM 0 HZ PHE A 19 150.273 -3.542 -4.317 1.00 0.00 H new ATOM 326 N SER A 20 145.564 -8.448 -0.230 1.00 0.00 N ATOM 327 CA SER A 20 145.128 -9.593 0.571 1.00 0.00 C ATOM 328 C SER A 20 146.236 -10.061 1.516 1.00 0.00 C ATOM 329 O SER A 20 147.397 -9.676 1.368 1.00 0.00 O ATOM 330 CB SER A 20 144.696 -10.746 -0.341 1.00 0.00 C ATOM 331 OG SER A 20 145.468 -10.776 -1.532 1.00 0.00 O ATOM 0 H SER A 20 145.876 -8.689 -1.171 1.00 0.00 H new ATOM 0 HA SER A 20 144.277 -9.276 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 20 144.804 -11.692 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 143.641 -10.639 -0.591 1.00 0.00 H new ATOM 0 HG SER A 20 145.173 -11.522 -2.095 1.00 0.00 H new ATOM 337 N ARG A 21 145.867 -10.896 2.489 1.00 0.00 N ATOM 338 CA ARG A 21 146.826 -11.419 3.460 1.00 0.00 C ATOM 339 C ARG A 21 147.070 -12.913 3.244 1.00 0.00 C ATOM 340 O ARG A 21 146.151 -13.653 2.892 1.00 0.00 O ATOM 341 CB ARG A 21 146.323 -11.176 4.885 1.00 0.00 C ATOM 342 CG ARG A 21 147.072 -10.073 5.612 1.00 0.00 C ATOM 343 CD ARG A 21 146.604 -9.933 7.051 1.00 0.00 C ATOM 344 NE ARG A 21 146.469 -8.533 7.447 1.00 0.00 N ATOM 345 CZ ARG A 21 146.004 -8.132 8.631 1.00 0.00 C ATOM 346 NH1 ARG A 21 145.603 -9.021 9.535 1.00 0.00 N ATOM 347 NH2 ARG A 21 145.935 -6.835 8.909 1.00 0.00 N ATOM 0 H ARG A 21 144.911 -11.224 2.624 1.00 0.00 H new ATOM 0 HA ARG A 21 147.770 -10.893 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 21 145.263 -10.922 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 21 146.411 -12.101 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 21 148.141 -10.286 5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 21 146.928 -9.128 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 21 145.646 -10.438 7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 21 147.313 -10.431 7.713 1.00 0.00 H new ATOM 0 HE ARG A 21 146.748 -7.817 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 21 145.650 -10.018 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 21 145.249 -8.706 10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 21 146.237 -6.148 8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 21 145.580 -6.526 9.814 1.00 0.00 H new ATOM 361 N PRO A 22 148.319 -13.380 3.455 1.00 0.00 N ATOM 362 CA PRO A 22 149.440 -12.528 3.875 1.00 0.00 C ATOM 363 C PRO A 22 150.016 -11.705 2.722 1.00 0.00 C ATOM 364 O PRO A 22 150.218 -12.218 1.620 1.00 0.00 O ATOM 365 CB PRO A 22 150.473 -13.539 4.373 1.00 0.00 C ATOM 366 CG PRO A 22 150.211 -14.768 3.572 1.00 0.00 C ATOM 367 CD PRO A 22 148.730 -14.788 3.297 1.00 0.00 C ATOM 0 HA PRO A 22 149.138 -11.793 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 22 151.489 -13.175 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 22 150.359 -13.729 5.440 1.00 0.00 H new ATOM 0 HG2 PRO A 22 150.779 -14.754 2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 22 150.517 -15.660 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 22 148.515 -15.156 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 22 148.203 -15.438 3.995 1.00 0.00 H new ATOM 375 N VAL A 23 150.283 -10.425 2.985 1.00 0.00 N ATOM 376 CA VAL A 23 150.839 -9.533 1.970 1.00 0.00 C ATOM 377 C VAL A 23 152.369 -9.580 1.976 1.00 0.00 C ATOM 378 O VAL A 23 153.001 -9.444 3.025 1.00 0.00 O ATOM 379 CB VAL A 23 150.358 -8.075 2.169 1.00 0.00 C ATOM 380 CG1 VAL A 23 150.834 -7.516 3.504 1.00 0.00 C ATOM 381 CG2 VAL A 23 150.822 -7.193 1.017 1.00 0.00 C ATOM 0 H VAL A 23 150.123 -9.985 3.891 1.00 0.00 H new ATOM 0 HA VAL A 23 150.479 -9.884 1.003 1.00 0.00 H new ATOM 0 HB VAL A 23 149.268 -8.080 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 23 150.481 -6.491 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 23 150.439 -8.126 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 23 151.923 -7.530 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 23 150.473 -6.173 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 23 151.911 -7.201 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 23 150.414 -7.573 0.080 1.00 0.00 H new ATOM 391 N LYS A 24 152.955 -9.781 0.796 1.00 0.00 N ATOM 392 CA LYS A 24 154.409 -9.852 0.659 1.00 0.00 C ATOM 393 C LYS A 24 154.973 -8.531 0.140 1.00 0.00 C ATOM 394 O LYS A 24 154.485 -7.989 -0.853 1.00 0.00 O ATOM 395 CB LYS A 24 154.801 -10.989 -0.290 1.00 0.00 C ATOM 396 CG LYS A 24 154.254 -12.350 0.115 1.00 0.00 C ATOM 397 CD LYS A 24 154.936 -12.881 1.366 1.00 0.00 C ATOM 398 CE LYS A 24 154.204 -14.092 1.924 1.00 0.00 C ATOM 399 NZ LYS A 24 154.796 -14.564 3.208 1.00 0.00 N ATOM 0 H LYS A 24 152.444 -9.898 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 24 154.830 -10.047 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 24 154.446 -10.750 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 24 155.888 -11.047 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 24 153.181 -12.273 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 24 154.394 -13.056 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 24 155.966 -13.151 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 24 154.975 -12.097 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 24 153.155 -13.840 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 24 154.233 -14.900 1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 154.266 -15.390 3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 155.790 -14.829 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 154.746 -13.802 3.914 1.00 0.00 H new ATOM 413 N TYR A 25 156.008 -8.021 0.814 1.00 0.00 N ATOM 414 CA TYR A 25 156.646 -6.762 0.417 1.00 0.00 C ATOM 415 C TYR A 25 157.093 -6.808 -1.044 1.00 0.00 C ATOM 416 O TYR A 25 156.872 -5.858 -1.797 1.00 0.00 O ATOM 417 CB TYR A 25 157.852 -6.463 1.317 1.00 0.00 C ATOM 418 CG TYR A 25 158.527 -5.139 1.017 1.00 0.00 C ATOM 419 CD1 TYR A 25 159.445 -5.023 -0.022 1.00 0.00 C ATOM 420 CD2 TYR A 25 158.246 -4.006 1.771 1.00 0.00 C ATOM 421 CE1 TYR A 25 160.062 -3.818 -0.299 1.00 0.00 C ATOM 422 CE2 TYR A 25 158.859 -2.797 1.499 1.00 0.00 C ATOM 423 CZ TYR A 25 159.766 -2.708 0.463 1.00 0.00 C ATOM 424 OH TYR A 25 160.375 -1.503 0.189 1.00 0.00 O ATOM 0 H TYR A 25 156.422 -8.460 1.636 1.00 0.00 H new ATOM 0 HA TYR A 25 155.909 -5.967 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 25 157.527 -6.467 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 25 158.582 -7.265 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 25 159.679 -5.890 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 25 157.537 -4.071 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 25 160.773 -3.746 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 25 158.629 -1.926 2.095 1.00 0.00 H new ATOM 0 HH TYR A 25 160.784 -1.150 1.007 1.00 0.00 H new ATOM 434 N GLU A 26 157.723 -7.917 -1.435 1.00 0.00 N ATOM 435 CA GLU A 26 158.202 -8.088 -2.806 1.00 0.00 C ATOM 436 C GLU A 26 157.054 -7.980 -3.805 1.00 0.00 C ATOM 437 O GLU A 26 157.191 -7.346 -4.850 1.00 0.00 O ATOM 438 CB GLU A 26 158.905 -9.440 -2.969 1.00 0.00 C ATOM 439 CG GLU A 26 160.083 -9.637 -2.028 1.00 0.00 C ATOM 440 CD GLU A 26 161.149 -10.546 -2.608 1.00 0.00 C ATOM 441 OE1 GLU A 26 160.959 -11.781 -2.575 1.00 0.00 O ATOM 442 OE2 GLU A 26 162.172 -10.024 -3.097 1.00 0.00 O ATOM 0 H GLU A 26 157.913 -8.709 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 26 158.916 -7.290 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 26 158.181 -10.238 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 26 159.253 -9.536 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 26 160.524 -8.668 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 159.726 -10.057 -1.088 1.00 0.00 H new ATOM 449 N ASP A 27 155.920 -8.598 -3.474 1.00 0.00 N ATOM 450 CA ASP A 27 154.748 -8.565 -4.344 1.00 0.00 C ATOM 451 C ASP A 27 154.233 -7.137 -4.515 1.00 0.00 C ATOM 452 O ASP A 27 153.910 -6.718 -5.628 1.00 0.00 O ATOM 453 CB ASP A 27 153.637 -9.458 -3.785 1.00 0.00 C ATOM 454 CG ASP A 27 152.795 -10.076 -4.883 1.00 0.00 C ATOM 455 OD1 ASP A 27 151.934 -9.365 -5.444 1.00 0.00 O ATOM 456 OD2 ASP A 27 152.998 -11.271 -5.184 1.00 0.00 O ATOM 0 H ASP A 27 155.790 -9.126 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 27 155.047 -8.944 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 27 154.079 -10.249 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 27 152.998 -8.871 -3.126 1.00 0.00 H new ATOM 461 N VAL A 28 154.162 -6.394 -3.410 1.00 0.00 N ATOM 462 CA VAL A 28 153.687 -5.011 -3.447 1.00 0.00 C ATOM 463 C VAL A 28 154.634 -4.132 -4.261 1.00 0.00 C ATOM 464 O VAL A 28 154.197 -3.378 -5.132 1.00 0.00 O ATOM 465 CB VAL A 28 153.531 -4.414 -2.030 1.00 0.00 C ATOM 466 CG1 VAL A 28 152.876 -3.040 -2.096 1.00 0.00 C ATOM 467 CG2 VAL A 28 152.731 -5.351 -1.135 1.00 0.00 C ATOM 0 H VAL A 28 154.426 -6.725 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 28 152.706 -5.030 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 28 154.525 -4.298 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 28 152.775 -2.636 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 28 153.494 -2.371 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 28 151.890 -3.129 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 28 152.633 -4.911 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 28 151.740 -5.505 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 28 153.246 -6.309 -1.058 1.00 0.00 H new ATOM 477 N GLU A 29 155.932 -4.243 -3.978 1.00 0.00 N ATOM 478 CA GLU A 29 156.943 -3.465 -4.690 1.00 0.00 C ATOM 479 C GLU A 29 156.951 -3.809 -6.179 1.00 0.00 C ATOM 480 O GLU A 29 157.159 -2.935 -7.020 1.00 0.00 O ATOM 481 CB GLU A 29 158.330 -3.714 -4.093 1.00 0.00 C ATOM 482 CG GLU A 29 159.069 -2.437 -3.720 1.00 0.00 C ATOM 483 CD GLU A 29 160.563 -2.525 -3.975 1.00 0.00 C ATOM 484 OE1 GLU A 29 161.201 -3.465 -3.455 1.00 0.00 O ATOM 485 OE2 GLU A 29 161.095 -1.651 -4.692 1.00 0.00 O ATOM 0 H GLU A 29 156.307 -4.864 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 29 156.691 -2.410 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 29 158.228 -4.338 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 29 158.930 -4.275 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 29 158.656 -1.604 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 29 158.897 -2.218 -2.666 1.00 0.00 H new ATOM 492 N HIS A 30 156.722 -5.086 -6.495 1.00 0.00 N ATOM 493 CA HIS A 30 156.699 -5.545 -7.882 1.00 0.00 C ATOM 494 C HIS A 30 155.642 -4.794 -8.694 1.00 0.00 C ATOM 495 O HIS A 30 155.857 -4.485 -9.866 1.00 0.00 O ATOM 496 CB HIS A 30 156.434 -7.051 -7.949 1.00 0.00 C ATOM 497 CG HIS A 30 157.127 -7.732 -9.090 1.00 0.00 C ATOM 498 ND1 HIS A 30 156.889 -7.417 -10.413 1.00 0.00 N ATOM 499 CD2 HIS A 30 158.058 -8.716 -9.102 1.00 0.00 C ATOM 500 CE1 HIS A 30 157.641 -8.179 -11.187 1.00 0.00 C ATOM 501 NE2 HIS A 30 158.359 -8.974 -10.416 1.00 0.00 N ATOM 0 H HIS A 30 156.550 -5.819 -5.807 1.00 0.00 H new ATOM 0 HA HIS A 30 157.678 -5.339 -8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 30 156.755 -7.510 -7.014 1.00 0.00 H new ATOM 0 HB3 HIS A 30 155.360 -7.219 -8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 30 158.484 -9.206 -8.239 1.00 0.00 H new ATOM 0 HE1 HIS A 30 157.664 -8.155 -12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 30 159.030 -9.669 -10.744 1.00 0.00 H new ATOM 510 N LYS A 31 154.505 -4.495 -8.066 1.00 0.00 N ATOM 511 CA LYS A 31 153.434 -3.769 -8.741 1.00 0.00 C ATOM 512 C LYS A 31 153.814 -2.302 -8.923 1.00 0.00 C ATOM 513 O LYS A 31 153.678 -1.749 -10.014 1.00 0.00 O ATOM 514 CB LYS A 31 152.124 -3.877 -7.952 1.00 0.00 C ATOM 515 CG LYS A 31 151.395 -5.197 -8.152 1.00 0.00 C ATOM 516 CD LYS A 31 149.886 -5.031 -8.032 1.00 0.00 C ATOM 517 CE LYS A 31 149.292 -6.028 -7.048 1.00 0.00 C ATOM 518 NZ LYS A 31 147.982 -6.564 -7.515 1.00 0.00 N ATOM 0 H LYS A 31 154.304 -4.743 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 31 153.287 -4.219 -9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 31 152.338 -3.748 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 31 151.465 -3.060 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 31 151.640 -5.603 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 31 151.741 -5.920 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 31 149.655 -4.016 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 31 149.425 -5.165 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 31 149.990 -6.853 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 31 149.161 -5.546 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 147.614 -7.239 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 147.307 -5.781 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 148.110 -7.047 -8.427 1.00 0.00 H new ATOM 532 N VAL A 32 154.299 -1.679 -7.847 1.00 0.00 N ATOM 533 CA VAL A 32 154.705 -0.274 -7.889 1.00 0.00 C ATOM 534 C VAL A 32 155.815 -0.048 -8.916 1.00 0.00 C ATOM 535 O VAL A 32 155.762 0.907 -9.694 1.00 0.00 O ATOM 536 CB VAL A 32 155.190 0.227 -6.510 1.00 0.00 C ATOM 537 CG1 VAL A 32 155.423 1.732 -6.536 1.00 0.00 C ATOM 538 CG2 VAL A 32 154.197 -0.144 -5.416 1.00 0.00 C ATOM 0 H VAL A 32 154.420 -2.125 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 32 153.820 0.293 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 32 156.138 -0.263 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 32 155.764 2.064 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 32 156.180 1.970 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 32 154.492 2.240 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 32 154.561 0.220 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 32 153.230 0.310 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 154.088 -1.228 -5.376 1.00 0.00 H new ATOM 548 N THR A 33 156.820 -0.926 -8.911 1.00 0.00 N ATOM 549 CA THR A 33 157.941 -0.812 -9.842 1.00 0.00 C ATOM 550 C THR A 33 157.475 -0.924 -11.295 1.00 0.00 C ATOM 551 O THR A 33 157.983 -0.221 -12.164 1.00 0.00 O ATOM 552 CB THR A 33 159.025 -1.859 -9.540 1.00 0.00 C ATOM 553 OG1 THR A 33 160.173 -1.628 -10.337 1.00 0.00 O ATOM 554 CG2 THR A 33 158.589 -3.290 -9.776 1.00 0.00 C ATOM 0 H THR A 33 156.879 -1.721 -8.274 1.00 0.00 H new ATOM 0 HA THR A 33 158.376 0.178 -9.704 1.00 0.00 H new ATOM 0 HB THR A 33 159.237 -1.742 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 33 160.855 -2.302 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 33 159.412 -3.965 -9.539 1.00 0.00 H new ATOM 0 HG22 THR A 33 157.736 -3.520 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 33 158.305 -3.416 -10.821 1.00 0.00 H new ATOM 562 N THR A 34 156.509 -1.809 -11.557 1.00 0.00 N ATOM 563 CA THR A 34 155.993 -1.996 -12.915 1.00 0.00 C ATOM 564 C THR A 34 155.149 -0.800 -13.369 1.00 0.00 C ATOM 565 O THR A 34 155.285 -0.338 -14.502 1.00 0.00 O ATOM 566 CB THR A 34 155.165 -3.284 -13.014 1.00 0.00 C ATOM 567 OG1 THR A 34 155.893 -4.393 -12.515 1.00 0.00 O ATOM 568 CG2 THR A 34 154.744 -3.616 -14.432 1.00 0.00 C ATOM 0 H THR A 34 156.072 -2.403 -10.852 1.00 0.00 H new ATOM 0 HA THR A 34 156.855 -2.076 -13.577 1.00 0.00 H new ATOM 0 HB THR A 34 154.272 -3.098 -12.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 155.679 -4.525 -11.568 1.00 0.00 H new ATOM 0 HG21 THR A 34 154.162 -4.538 -14.432 1.00 0.00 H new ATOM 0 HG22 THR A 34 154.137 -2.803 -14.831 1.00 0.00 H new ATOM 0 HG23 THR A 34 155.630 -3.746 -15.054 1.00 0.00 H new ATOM 576 N VAL A 35 154.272 -0.311 -12.489 1.00 0.00 N ATOM 577 CA VAL A 35 153.404 0.822 -12.823 1.00 0.00 C ATOM 578 C VAL A 35 154.217 2.073 -13.164 1.00 0.00 C ATOM 579 O VAL A 35 153.983 2.708 -14.193 1.00 0.00 O ATOM 580 CB VAL A 35 152.424 1.155 -11.674 1.00 0.00 C ATOM 581 CG1 VAL A 35 151.488 2.289 -12.075 1.00 0.00 C ATOM 582 CG2 VAL A 35 151.625 -0.078 -11.268 1.00 0.00 C ATOM 0 H VAL A 35 154.144 -0.678 -11.546 1.00 0.00 H new ATOM 0 HA VAL A 35 152.831 0.518 -13.699 1.00 0.00 H new ATOM 0 HB VAL A 35 153.010 1.480 -10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 35 150.807 2.507 -11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 35 152.073 3.179 -12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 35 150.913 1.993 -12.953 1.00 0.00 H new ATOM 0 HG21 VAL A 35 150.943 0.181 -10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 35 151.053 -0.439 -12.123 1.00 0.00 H new ATOM 0 HG23 VAL A 35 152.307 -0.859 -10.932 1.00 0.00 H new ATOM 592 N PHE A 36 155.167 2.425 -12.296 1.00 0.00 N ATOM 593 CA PHE A 36 156.003 3.609 -12.512 1.00 0.00 C ATOM 594 C PHE A 36 157.193 3.312 -13.432 1.00 0.00 C ATOM 595 O PHE A 36 157.723 4.222 -14.074 1.00 0.00 O ATOM 596 CB PHE A 36 156.505 4.164 -11.176 1.00 0.00 C ATOM 597 CG PHE A 36 155.403 4.668 -10.283 1.00 0.00 C ATOM 598 CD1 PHE A 36 154.718 5.833 -10.593 1.00 0.00 C ATOM 599 CD2 PHE A 36 155.054 3.977 -9.135 1.00 0.00 C ATOM 600 CE1 PHE A 36 153.706 6.296 -9.775 1.00 0.00 C ATOM 601 CE2 PHE A 36 154.043 4.436 -8.313 1.00 0.00 C ATOM 602 CZ PHE A 36 153.370 5.597 -8.633 1.00 0.00 C ATOM 0 H PHE A 36 155.377 1.911 -11.441 1.00 0.00 H new ATOM 0 HA PHE A 36 155.379 4.356 -13.003 1.00 0.00 H new ATOM 0 HB2 PHE A 36 157.058 3.384 -10.652 1.00 0.00 H new ATOM 0 HB3 PHE A 36 157.205 4.976 -11.369 1.00 0.00 H new ATOM 0 HD1 PHE A 36 154.979 6.385 -11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 36 155.578 3.068 -8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 36 153.178 7.204 -10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 36 153.780 3.887 -7.421 1.00 0.00 H new ATOM 0 HZ PHE A 36 152.581 5.959 -7.991 1.00 0.00 H new ATOM 612 N GLY A 37 157.614 2.048 -13.490 1.00 0.00 N ATOM 613 CA GLY A 37 158.742 1.672 -14.331 1.00 0.00 C ATOM 614 C GLY A 37 160.081 1.796 -13.617 1.00 0.00 C ATOM 615 O GLY A 37 161.117 1.963 -14.262 1.00 0.00 O ATOM 0 H GLY A 37 157.194 1.278 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 37 158.610 0.644 -14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 37 158.751 2.301 -15.221 1.00 0.00 H new ATOM 619 N GLN A 38 160.059 1.712 -12.284 1.00 0.00 N ATOM 620 CA GLN A 38 161.276 1.814 -11.475 1.00 0.00 C ATOM 621 C GLN A 38 160.955 1.619 -9.993 1.00 0.00 C ATOM 622 O GLN A 38 159.873 1.991 -9.535 1.00 0.00 O ATOM 623 CB GLN A 38 161.949 3.178 -11.684 1.00 0.00 C ATOM 624 CG GLN A 38 161.018 4.362 -11.456 1.00 0.00 C ATOM 625 CD GLN A 38 161.511 5.636 -12.118 1.00 0.00 C ATOM 626 OE1 GLN A 38 162.707 5.926 -12.120 1.00 0.00 O ATOM 627 NE2 GLN A 38 160.589 6.410 -12.684 1.00 0.00 N ATOM 0 H GLN A 38 159.207 1.573 -11.740 1.00 0.00 H new ATOM 0 HA GLN A 38 161.961 1.028 -11.794 1.00 0.00 H new ATOM 0 HB2 GLN A 38 162.800 3.261 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 38 162.343 3.227 -12.699 1.00 0.00 H new ATOM 0 HG2 GLN A 38 160.028 4.118 -11.840 1.00 0.00 H new ATOM 0 HG3 GLN A 38 160.911 4.533 -10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 38 159.607 6.134 -12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 38 160.864 7.279 -13.141 1.00 0.00 H new ATOM 636 N PRO A 39 161.889 1.033 -9.218 1.00 0.00 N ATOM 637 CA PRO A 39 161.687 0.800 -7.785 1.00 0.00 C ATOM 638 C PRO A 39 161.763 2.094 -6.979 1.00 0.00 C ATOM 639 O PRO A 39 162.838 2.674 -6.814 1.00 0.00 O ATOM 640 CB PRO A 39 162.833 -0.141 -7.410 1.00 0.00 C ATOM 641 CG PRO A 39 163.904 0.145 -8.405 1.00 0.00 C ATOM 642 CD PRO A 39 163.209 0.555 -9.677 1.00 0.00 C ATOM 0 HA PRO A 39 160.701 0.388 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 39 163.179 0.043 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 39 162.519 -1.184 -7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 39 164.562 0.938 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 39 164.526 -0.735 -8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 39 163.759 1.338 -10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 39 163.113 -0.282 -10.368 1.00 0.00 H new ATOM 650 N LEU A 40 160.611 2.546 -6.485 1.00 0.00 N ATOM 651 CA LEU A 40 160.545 3.776 -5.701 1.00 0.00 C ATOM 652 C LEU A 40 160.743 3.491 -4.214 1.00 0.00 C ATOM 653 O LEU A 40 160.250 2.489 -3.691 1.00 0.00 O ATOM 654 CB LEU A 40 159.208 4.490 -5.931 1.00 0.00 C ATOM 655 CG LEU A 40 159.041 5.121 -7.319 1.00 0.00 C ATOM 656 CD1 LEU A 40 158.366 4.152 -8.277 1.00 0.00 C ATOM 657 CD2 LEU A 40 158.246 6.416 -7.231 1.00 0.00 C ATOM 0 H LEU A 40 159.713 2.079 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 40 161.353 4.428 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 40 158.400 3.776 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 40 159.095 5.270 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 40 160.034 5.350 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 40 158.259 4.622 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 40 158.973 3.252 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 40 157.381 3.886 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 158.140 6.846 -8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 40 157.259 6.209 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 40 158.769 7.121 -6.585 1.00 0.00 H new ATOM 669 N ASP A 41 161.474 4.380 -3.545 1.00 0.00 N ATOM 670 CA ASP A 41 161.754 4.237 -2.117 1.00 0.00 C ATOM 671 C ASP A 41 160.530 4.605 -1.279 1.00 0.00 C ATOM 672 O ASP A 41 160.034 5.729 -1.351 1.00 0.00 O ATOM 673 CB ASP A 41 162.939 5.121 -1.725 1.00 0.00 C ATOM 674 CG ASP A 41 163.811 4.487 -0.661 1.00 0.00 C ATOM 675 OD1 ASP A 41 163.367 4.416 0.501 1.00 0.00 O ATOM 676 OD2 ASP A 41 164.938 4.060 -0.991 1.00 0.00 O ATOM 0 H ASP A 41 161.885 5.211 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 41 162.002 3.194 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 41 163.542 5.327 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 41 162.568 6.080 -1.362 1.00 0.00 H new ATOM 681 N LEU A 42 160.048 3.646 -0.486 1.00 0.00 N ATOM 682 CA LEU A 42 158.878 3.864 0.366 1.00 0.00 C ATOM 683 C LEU A 42 159.273 4.467 1.715 1.00 0.00 C ATOM 684 O LEU A 42 160.082 3.895 2.450 1.00 0.00 O ATOM 685 CB LEU A 42 158.128 2.546 0.585 1.00 0.00 C ATOM 686 CG LEU A 42 157.350 2.030 -0.629 1.00 0.00 C ATOM 687 CD1 LEU A 42 156.928 0.582 -0.415 1.00 0.00 C ATOM 688 CD2 LEU A 42 156.137 2.909 -0.900 1.00 0.00 C ATOM 0 H LEU A 42 160.450 2.711 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 42 158.224 4.572 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 42 158.846 1.784 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 157.432 2.676 1.414 1.00 0.00 H new ATOM 0 HG LEU A 42 158.003 2.072 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 42 156.376 0.231 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 157.813 -0.038 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 42 156.292 0.515 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 42 155.597 2.527 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 42 155.480 2.901 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 42 156.464 3.930 -1.098 1.00 0.00 H new ATOM 700 N HIS A 43 158.695 5.626 2.034 1.00 0.00 N ATOM 701 CA HIS A 43 158.979 6.313 3.293 1.00 0.00 C ATOM 702 C HIS A 43 157.750 6.327 4.202 1.00 0.00 C ATOM 703 O HIS A 43 156.679 6.795 3.807 1.00 0.00 O ATOM 704 CB HIS A 43 159.442 7.748 3.019 1.00 0.00 C ATOM 705 CG HIS A 43 160.927 7.923 3.102 1.00 0.00 C ATOM 706 ND1 HIS A 43 161.765 7.787 2.014 1.00 0.00 N ATOM 707 CD2 HIS A 43 161.725 8.234 4.152 1.00 0.00 C ATOM 708 CE1 HIS A 43 163.012 8.004 2.392 1.00 0.00 C ATOM 709 NE2 HIS A 43 163.015 8.278 3.684 1.00 0.00 N ATOM 0 H HIS A 43 158.025 6.109 1.435 1.00 0.00 H new ATOM 0 HA HIS A 43 159.775 5.769 3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 43 159.104 8.047 2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 43 158.965 8.418 3.734 1.00 0.00 H new ATOM 0 HD2 HIS A 43 161.406 8.414 5.168 1.00 0.00 H new ATOM 0 HE1 HIS A 43 163.882 7.964 1.753 1.00 0.00 H new ATOM 0 HE2 HIS A 43 163.842 8.488 4.243 1.00 0.00 H new ATOM 718 N TYR A 44 157.913 5.816 5.423 1.00 0.00 N ATOM 719 CA TYR A 44 156.826 5.768 6.395 1.00 0.00 C ATOM 720 C TYR A 44 157.065 6.778 7.518 1.00 0.00 C ATOM 721 O TYR A 44 158.139 6.810 8.117 1.00 0.00 O ATOM 722 CB TYR A 44 156.699 4.349 6.968 1.00 0.00 C ATOM 723 CG TYR A 44 155.803 4.243 8.184 1.00 0.00 C ATOM 724 CD1 TYR A 44 156.275 4.570 9.449 1.00 0.00 C ATOM 725 CD2 TYR A 44 154.487 3.813 8.067 1.00 0.00 C ATOM 726 CE1 TYR A 44 155.461 4.472 10.563 1.00 0.00 C ATOM 727 CE2 TYR A 44 153.667 3.713 9.175 1.00 0.00 C ATOM 728 CZ TYR A 44 154.159 4.044 10.421 1.00 0.00 C ATOM 729 OH TYR A 44 153.344 3.945 11.525 1.00 0.00 O ATOM 0 H TYR A 44 158.794 5.428 5.761 1.00 0.00 H new ATOM 0 HA TYR A 44 155.895 6.030 5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 44 156.315 3.689 6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 44 157.693 3.986 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 44 157.295 4.906 9.565 1.00 0.00 H new ATOM 0 HD2 TYR A 44 154.098 3.552 7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 44 155.844 4.730 11.539 1.00 0.00 H new ATOM 0 HE2 TYR A 44 152.646 3.377 9.066 1.00 0.00 H new ATOM 0 HH TYR A 44 153.544 4.676 12.146 1.00 0.00 H new ATOM 739 N MET A 45 156.057 7.601 7.798 1.00 0.00 N ATOM 740 CA MET A 45 156.159 8.609 8.851 1.00 0.00 C ATOM 741 C MET A 45 155.135 8.345 9.953 1.00 0.00 C ATOM 742 O MET A 45 153.941 8.207 9.680 1.00 0.00 O ATOM 743 CB MET A 45 155.958 10.013 8.271 1.00 0.00 C ATOM 744 CG MET A 45 156.847 10.316 7.074 1.00 0.00 C ATOM 745 SD MET A 45 157.417 12.027 7.047 1.00 0.00 S ATOM 746 CE MET A 45 158.100 12.135 5.394 1.00 0.00 C ATOM 0 H MET A 45 155.161 7.590 7.311 1.00 0.00 H new ATOM 0 HA MET A 45 157.158 8.548 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 45 154.915 10.128 7.976 1.00 0.00 H new ATOM 0 HB3 MET A 45 156.151 10.749 9.051 1.00 0.00 H new ATOM 0 HG2 MET A 45 157.710 9.650 7.089 1.00 0.00 H new ATOM 0 HG3 MET A 45 156.298 10.106 6.156 1.00 0.00 H new ATOM 0 HE1 MET A 45 158.493 13.138 5.228 1.00 0.00 H new ATOM 0 HE2 MET A 45 158.904 11.407 5.284 1.00 0.00 H new ATOM 0 HE3 MET A 45 157.319 11.926 4.663 1.00 0.00 H new ATOM 756 N ASN A 46 155.608 8.276 11.198 1.00 0.00 N ATOM 757 CA ASN A 46 154.728 8.028 12.340 1.00 0.00 C ATOM 758 C ASN A 46 154.138 9.337 12.862 1.00 0.00 C ATOM 759 O ASN A 46 152.922 9.465 13.010 1.00 0.00 O ATOM 760 CB ASN A 46 155.495 7.309 13.456 1.00 0.00 C ATOM 761 CG ASN A 46 154.671 6.224 14.126 1.00 0.00 C ATOM 762 OD1 ASN A 46 153.678 5.750 13.573 1.00 0.00 O ATOM 763 ND2 ASN A 46 155.081 5.820 15.323 1.00 0.00 N ATOM 0 H ASN A 46 156.592 8.388 11.441 1.00 0.00 H new ATOM 0 HA ASN A 46 153.909 7.390 12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 46 156.402 6.868 13.042 1.00 0.00 H new ATOM 0 HB3 ASN A 46 155.807 8.037 14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 46 154.568 5.091 15.819 1.00 0.00 H new ATOM 0 HD22 ASN A 46 155.909 6.239 15.747 1.00 0.00 H new ATOM 770 N ASN A 47 155.014 10.307 13.126 1.00 0.00 N ATOM 771 CA ASN A 47 154.600 11.619 13.621 1.00 0.00 C ATOM 772 C ASN A 47 155.795 12.568 13.679 1.00 0.00 C ATOM 773 O ASN A 47 155.829 13.582 12.980 1.00 0.00 O ATOM 774 CB ASN A 47 153.953 11.507 15.006 1.00 0.00 C ATOM 775 CG ASN A 47 152.759 12.431 15.157 1.00 0.00 C ATOM 776 OD1 ASN A 47 151.616 11.980 15.234 1.00 0.00 O ATOM 777 ND2 ASN A 47 153.018 13.734 15.202 1.00 0.00 N ATOM 0 H ASN A 47 156.022 10.207 13.004 1.00 0.00 H new ATOM 0 HA ASN A 47 153.860 12.020 12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 47 153.637 10.478 15.176 1.00 0.00 H new ATOM 0 HB3 ASN A 47 154.693 11.744 15.771 1.00 0.00 H new ATOM 0 HD21 ASN A 47 152.254 14.403 15.304 1.00 0.00 H new ATOM 0 HD22 ASN A 47 153.980 14.065 15.135 1.00 0.00 H new ATOM 784 N GLU A 48 156.775 12.226 14.513 1.00 0.00 N ATOM 785 CA GLU A 48 157.979 13.038 14.664 1.00 0.00 C ATOM 786 C GLU A 48 159.185 12.388 13.975 1.00 0.00 C ATOM 787 O GLU A 48 160.112 13.084 13.556 1.00 0.00 O ATOM 788 CB GLU A 48 158.282 13.264 16.149 1.00 0.00 C ATOM 789 CG GLU A 48 157.941 14.664 16.633 1.00 0.00 C ATOM 790 CD GLU A 48 156.484 14.806 17.032 1.00 0.00 C ATOM 791 OE1 GLU A 48 155.614 14.731 16.139 1.00 0.00 O ATOM 792 OE2 GLU A 48 156.213 14.992 18.237 1.00 0.00 O ATOM 0 H GLU A 48 156.758 11.389 15.096 1.00 0.00 H new ATOM 0 HA GLU A 48 157.795 13.999 14.183 1.00 0.00 H new ATOM 0 HB2 GLU A 48 157.723 12.538 16.740 1.00 0.00 H new ATOM 0 HB3 GLU A 48 159.340 13.074 16.328 1.00 0.00 H new ATOM 0 HG2 GLU A 48 158.573 14.913 17.485 1.00 0.00 H new ATOM 0 HG3 GLU A 48 158.170 15.382 15.846 1.00 0.00 H new ATOM 799 N LEU A 49 159.172 11.055 13.865 1.00 0.00 N ATOM 800 CA LEU A 49 160.268 10.323 13.235 1.00 0.00 C ATOM 801 C LEU A 49 159.832 9.705 11.906 1.00 0.00 C ATOM 802 O LEU A 49 158.652 9.403 11.704 1.00 0.00 O ATOM 803 CB LEU A 49 160.778 9.222 14.175 1.00 0.00 C ATOM 804 CG LEU A 49 162.221 9.388 14.669 1.00 0.00 C ATOM 805 CD1 LEU A 49 163.204 9.264 13.514 1.00 0.00 C ATOM 806 CD2 LEU A 49 162.397 10.721 15.384 1.00 0.00 C ATOM 0 H LEU A 49 158.413 10.464 14.205 1.00 0.00 H new ATOM 0 HA LEU A 49 161.072 11.032 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 49 160.119 9.176 15.042 1.00 0.00 H new ATOM 0 HB3 LEU A 49 160.697 8.264 13.661 1.00 0.00 H new ATOM 0 HG LEU A 49 162.429 8.590 15.381 1.00 0.00 H new ATOM 0 HD11 LEU A 49 164.221 9.385 13.887 1.00 0.00 H new ATOM 0 HD12 LEU A 49 163.101 8.282 13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 162.995 10.036 12.774 1.00 0.00 H new ATOM 0 HD21 LEU A 49 163.428 10.817 15.726 1.00 0.00 H new ATOM 0 HD22 LEU A 49 162.165 11.535 14.698 1.00 0.00 H new ATOM 0 HD23 LEU A 49 161.725 10.766 16.241 1.00 0.00 H new ATOM 818 N SER A 50 160.800 9.513 11.009 1.00 0.00 N ATOM 819 CA SER A 50 160.538 8.924 9.700 1.00 0.00 C ATOM 820 C SER A 50 161.287 7.603 9.541 1.00 0.00 C ATOM 821 O SER A 50 162.498 7.534 9.767 1.00 0.00 O ATOM 822 CB SER A 50 160.945 9.894 8.584 1.00 0.00 C ATOM 823 OG SER A 50 160.587 9.388 7.307 1.00 0.00 O ATOM 0 H SER A 50 161.777 9.759 11.169 1.00 0.00 H new ATOM 0 HA SER A 50 159.468 8.728 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 50 160.463 10.859 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 50 162.021 10.065 8.622 1.00 0.00 H new ATOM 0 HG SER A 50 160.857 10.027 6.615 1.00 0.00 H new ATOM 829 N ILE A 51 160.559 6.560 9.145 1.00 0.00 N ATOM 830 CA ILE A 51 161.143 5.238 8.948 1.00 0.00 C ATOM 831 C ILE A 51 161.093 4.842 7.472 1.00 0.00 C ATOM 832 O ILE A 51 160.065 4.999 6.812 1.00 0.00 O ATOM 833 CB ILE A 51 160.417 4.167 9.794 1.00 0.00 C ATOM 834 CG1 ILE A 51 160.235 4.653 11.238 1.00 0.00 C ATOM 835 CG2 ILE A 51 161.186 2.854 9.770 1.00 0.00 C ATOM 836 CD1 ILE A 51 161.537 4.979 11.942 1.00 0.00 C ATOM 0 H ILE A 51 159.558 6.608 8.954 1.00 0.00 H new ATOM 0 HA ILE A 51 162.182 5.290 9.274 1.00 0.00 H new ATOM 0 HB ILE A 51 159.432 3.998 9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 51 159.602 5.540 11.236 1.00 0.00 H new ATOM 0 HG13 ILE A 51 159.708 3.886 11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 51 160.659 2.113 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 161.266 2.498 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 51 162.184 3.010 10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 51 161.327 5.316 12.957 1.00 0.00 H new ATOM 0 HD12 ILE A 51 162.164 4.088 11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 51 162.057 5.768 11.398 1.00 0.00 H new ATOM 848 N LEU A 52 162.213 4.336 6.958 1.00 0.00 N ATOM 849 CA LEU A 52 162.304 3.928 5.559 1.00 0.00 C ATOM 850 C LEU A 52 162.047 2.427 5.403 1.00 0.00 C ATOM 851 O LEU A 52 162.646 1.608 6.103 1.00 0.00 O ATOM 852 CB LEU A 52 163.682 4.299 5.000 1.00 0.00 C ATOM 853 CG LEU A 52 163.810 4.260 3.476 1.00 0.00 C ATOM 854 CD1 LEU A 52 165.011 5.077 3.020 1.00 0.00 C ATOM 855 CD2 LEU A 52 163.922 2.824 2.980 1.00 0.00 C ATOM 0 H LEU A 52 163.071 4.199 7.492 1.00 0.00 H new ATOM 0 HA LEU A 52 161.535 4.455 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 52 163.935 5.303 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 52 164.422 3.621 5.426 1.00 0.00 H new ATOM 0 HG LEU A 52 162.910 4.700 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 52 165.086 5.038 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 52 164.889 6.112 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 52 165.919 4.667 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 52 164.012 2.820 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 52 164.803 2.355 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 52 163.031 2.268 3.272 1.00 0.00 H new ATOM 867 N LEU A 53 161.154 2.077 4.475 1.00 0.00 N ATOM 868 CA LEU A 53 160.810 0.680 4.215 1.00 0.00 C ATOM 869 C LEU A 53 161.841 0.024 3.295 1.00 0.00 C ATOM 870 O LEU A 53 161.892 0.313 2.099 1.00 0.00 O ATOM 871 CB LEU A 53 159.416 0.583 3.582 1.00 0.00 C ATOM 872 CG LEU A 53 158.242 0.881 4.522 1.00 0.00 C ATOM 873 CD1 LEU A 53 157.319 1.928 3.915 1.00 0.00 C ATOM 874 CD2 LEU A 53 157.468 -0.393 4.830 1.00 0.00 C ATOM 0 H LEU A 53 160.655 2.746 3.889 1.00 0.00 H new ATOM 0 HA LEU A 53 160.809 0.152 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 53 159.369 1.274 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 159.289 -0.421 3.177 1.00 0.00 H new ATOM 0 HG LEU A 53 158.644 1.277 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 53 156.493 2.125 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 53 157.876 2.849 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 53 156.926 1.561 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 53 156.639 -0.162 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 157.080 -0.816 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 53 158.130 -1.114 5.309 1.00 0.00 H new ATOM 886 N LYS A 54 162.659 -0.863 3.862 1.00 0.00 N ATOM 887 CA LYS A 54 163.690 -1.565 3.096 1.00 0.00 C ATOM 888 C LYS A 54 163.378 -3.061 2.978 1.00 0.00 C ATOM 889 O LYS A 54 163.611 -3.669 1.931 1.00 0.00 O ATOM 890 CB LYS A 54 165.062 -1.363 3.752 1.00 0.00 C ATOM 891 CG LYS A 54 166.147 -0.907 2.786 1.00 0.00 C ATOM 892 CD LYS A 54 167.400 -0.460 3.527 1.00 0.00 C ATOM 893 CE LYS A 54 168.616 -1.284 3.125 1.00 0.00 C ATOM 894 NZ LYS A 54 169.567 -1.465 4.259 1.00 0.00 N ATOM 0 H LYS A 54 162.628 -1.113 4.850 1.00 0.00 H new ATOM 0 HA LYS A 54 163.706 -1.145 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 54 164.967 -0.627 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 54 165.373 -2.299 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 54 166.396 -1.721 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 165.771 -0.086 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 54 167.589 0.593 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 54 167.239 -0.549 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 54 168.290 -2.260 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 54 169.128 -0.794 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 170.380 -2.031 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 169.899 -0.535 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 169.086 -1.955 5.040 1.00 0.00 H new ATOM 908 N ASN A 55 162.856 -3.646 4.059 1.00 0.00 N ATOM 909 CA ASN A 55 162.516 -5.069 4.085 1.00 0.00 C ATOM 910 C ASN A 55 161.104 -5.289 4.642 1.00 0.00 C ATOM 911 O ASN A 55 160.406 -4.332 4.984 1.00 0.00 O ATOM 912 CB ASN A 55 163.542 -5.836 4.928 1.00 0.00 C ATOM 913 CG ASN A 55 164.801 -6.172 4.149 1.00 0.00 C ATOM 914 OD1 ASN A 55 164.891 -7.226 3.519 1.00 0.00 O ATOM 915 ND2 ASN A 55 165.782 -5.276 4.187 1.00 0.00 N ATOM 0 H ASN A 55 162.659 -3.153 4.930 1.00 0.00 H new ATOM 0 HA ASN A 55 162.538 -5.445 3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 55 163.807 -5.241 5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 55 163.090 -6.757 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 55 166.651 -5.449 3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 55 165.666 -4.415 4.722 1.00 0.00 H new ATOM 922 N GLN A 56 160.688 -6.557 4.725 1.00 0.00 N ATOM 923 CA GLN A 56 159.359 -6.906 5.235 1.00 0.00 C ATOM 924 C GLN A 56 159.199 -6.530 6.710 1.00 0.00 C ATOM 925 O GLN A 56 158.093 -6.220 7.154 1.00 0.00 O ATOM 926 CB GLN A 56 159.085 -8.401 5.050 1.00 0.00 C ATOM 927 CG GLN A 56 157.935 -8.691 4.098 1.00 0.00 C ATOM 928 CD GLN A 56 157.091 -9.871 4.538 1.00 0.00 C ATOM 929 OE1 GLN A 56 157.610 -10.950 4.824 1.00 0.00 O ATOM 930 NE2 GLN A 56 155.779 -9.671 4.589 1.00 0.00 N ATOM 0 H GLN A 56 161.253 -7.359 4.445 1.00 0.00 H new ATOM 0 HA GLN A 56 158.633 -6.332 4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 56 159.987 -8.885 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 56 158.864 -8.845 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 56 157.302 -7.807 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 56 158.334 -8.887 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 56 155.392 -8.760 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 56 155.158 -10.429 4.874 1.00 0.00 H new ATOM 939 N ASP A 57 160.301 -6.556 7.465 1.00 0.00 N ATOM 940 CA ASP A 57 160.264 -6.209 8.887 1.00 0.00 C ATOM 941 C ASP A 57 159.721 -4.794 9.090 1.00 0.00 C ATOM 942 O ASP A 57 158.953 -4.545 10.020 1.00 0.00 O ATOM 943 CB ASP A 57 161.656 -6.342 9.520 1.00 0.00 C ATOM 944 CG ASP A 57 162.714 -5.513 8.815 1.00 0.00 C ATOM 945 OD1 ASP A 57 162.900 -4.339 9.195 1.00 0.00 O ATOM 946 OD2 ASP A 57 163.354 -6.040 7.884 1.00 0.00 O ATOM 0 H ASP A 57 161.225 -6.812 7.117 1.00 0.00 H new ATOM 0 HA ASP A 57 159.592 -6.910 9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 57 161.603 -6.039 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 57 161.956 -7.390 9.506 1.00 0.00 H new ATOM 951 N ASP A 58 160.111 -3.874 8.207 1.00 0.00 N ATOM 952 CA ASP A 58 159.644 -2.493 8.290 1.00 0.00 C ATOM 953 C ASP A 58 158.154 -2.413 7.971 1.00 0.00 C ATOM 954 O ASP A 58 157.398 -1.721 8.655 1.00 0.00 O ATOM 955 CB ASP A 58 160.434 -1.598 7.330 1.00 0.00 C ATOM 956 CG ASP A 58 160.556 -0.177 7.839 1.00 0.00 C ATOM 957 OD1 ASP A 58 161.511 0.101 8.593 1.00 0.00 O ATOM 958 OD2 ASP A 58 159.693 0.655 7.492 1.00 0.00 O ATOM 0 H ASP A 58 160.746 -4.060 7.431 1.00 0.00 H new ATOM 0 HA ASP A 58 159.805 -2.140 9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 58 161.430 -2.016 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 159.944 -1.592 6.356 1.00 0.00 H new ATOM 963 N LEU A 59 157.741 -3.138 6.934 1.00 0.00 N ATOM 964 CA LEU A 59 156.341 -3.170 6.516 1.00 0.00 C ATOM 965 C LEU A 59 155.455 -3.752 7.618 1.00 0.00 C ATOM 966 O LEU A 59 154.386 -3.214 7.914 1.00 0.00 O ATOM 967 CB LEU A 59 156.197 -4.001 5.237 1.00 0.00 C ATOM 968 CG LEU A 59 154.790 -4.040 4.631 1.00 0.00 C ATOM 969 CD1 LEU A 59 154.861 -3.903 3.118 1.00 0.00 C ATOM 970 CD2 LEU A 59 154.076 -5.329 5.014 1.00 0.00 C ATOM 0 H LEU A 59 158.360 -3.715 6.364 1.00 0.00 H new ATOM 0 HA LEU A 59 156.018 -2.147 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 59 156.885 -3.607 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 59 156.510 -5.023 5.451 1.00 0.00 H new ATOM 0 HG LEU A 59 154.221 -3.201 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 59 153.854 -3.933 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 59 155.332 -2.955 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 59 155.448 -4.724 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 59 153.079 -5.337 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 59 154.643 -6.183 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 59 153.994 -5.391 6.099 1.00 0.00 H new ATOM 982 N ASP A 60 155.911 -4.854 8.219 1.00 0.00 N ATOM 983 CA ASP A 60 155.165 -5.517 9.290 1.00 0.00 C ATOM 984 C ASP A 60 155.002 -4.595 10.496 1.00 0.00 C ATOM 985 O ASP A 60 153.931 -4.538 11.101 1.00 0.00 O ATOM 986 CB ASP A 60 155.864 -6.815 9.713 1.00 0.00 C ATOM 987 CG ASP A 60 155.380 -8.024 8.931 1.00 0.00 C ATOM 988 OD1 ASP A 60 155.459 -7.999 7.683 1.00 0.00 O ATOM 989 OD2 ASP A 60 154.923 -8.997 9.567 1.00 0.00 O ATOM 0 H ASP A 60 156.794 -5.306 7.981 1.00 0.00 H new ATOM 0 HA ASP A 60 154.175 -5.760 8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 60 156.940 -6.705 9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 60 155.695 -6.984 10.776 1.00 0.00 H new ATOM 994 N LYS A 61 156.068 -3.870 10.836 1.00 0.00 N ATOM 995 CA LYS A 61 156.039 -2.946 11.966 1.00 0.00 C ATOM 996 C LYS A 61 155.081 -1.782 11.705 1.00 0.00 C ATOM 997 O LYS A 61 154.406 -1.314 12.621 1.00 0.00 O ATOM 998 CB LYS A 61 157.443 -2.409 12.248 1.00 0.00 C ATOM 999 CG LYS A 61 158.300 -3.352 13.077 1.00 0.00 C ATOM 1000 CD LYS A 61 159.327 -2.592 13.901 1.00 0.00 C ATOM 1001 CE LYS A 61 158.869 -2.414 15.342 1.00 0.00 C ATOM 1002 NZ LYS A 61 157.893 -1.296 15.490 1.00 0.00 N ATOM 0 H LYS A 61 156.961 -3.906 10.344 1.00 0.00 H new ATOM 0 HA LYS A 61 155.682 -3.495 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 157.945 -2.213 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 61 157.360 -1.455 12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 61 157.662 -3.938 13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 61 158.809 -4.056 12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 160.276 -3.127 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 61 159.504 -1.615 13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 61 158.414 -3.340 15.694 1.00 0.00 H new ATOM 0 HE3 LYS A 61 159.735 -2.224 15.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 157.609 -1.212 16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 158.334 -0.407 15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 157.054 -1.488 14.906 1.00 0.00 H new ATOM 1016 N ALA A 62 155.027 -1.319 10.454 1.00 0.00 N ATOM 1017 CA ALA A 62 154.148 -0.209 10.084 1.00 0.00 C ATOM 1018 C ALA A 62 152.678 -0.566 10.290 1.00 0.00 C ATOM 1019 O ALA A 62 151.897 0.251 10.780 1.00 0.00 O ATOM 1020 CB ALA A 62 154.393 0.212 8.642 1.00 0.00 C ATOM 0 H ALA A 62 155.580 -1.694 9.683 1.00 0.00 H new ATOM 0 HA ALA A 62 154.384 0.629 10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 62 153.730 1.038 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 62 155.429 0.530 8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 62 154.196 -0.630 7.979 1.00 0.00 H new ATOM 1026 N ILE A 63 152.306 -1.792 9.921 1.00 0.00 N ATOM 1027 CA ILE A 63 150.927 -2.252 10.076 1.00 0.00 C ATOM 1028 C ILE A 63 150.558 -2.354 11.554 1.00 0.00 C ATOM 1029 O ILE A 63 149.471 -1.943 11.961 1.00 0.00 O ATOM 1030 CB ILE A 63 150.697 -3.623 9.400 1.00 0.00 C ATOM 1031 CG1 ILE A 63 151.173 -3.589 7.943 1.00 0.00 C ATOM 1032 CG2 ILE A 63 149.225 -4.015 9.472 1.00 0.00 C ATOM 1033 CD1 ILE A 63 151.645 -4.930 7.424 1.00 0.00 C ATOM 0 H ILE A 63 152.938 -2.482 9.514 1.00 0.00 H new ATOM 0 HA ILE A 63 150.290 -1.515 9.586 1.00 0.00 H new ATOM 0 HB ILE A 63 151.279 -4.373 9.936 1.00 0.00 H new ATOM 0 HG12 ILE A 63 150.359 -3.232 7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 63 151.986 -2.868 7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 63 149.082 -4.983 8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 63 148.916 -4.079 10.515 1.00 0.00 H new ATOM 0 HG23 ILE A 63 148.623 -3.264 8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 63 151.966 -4.827 6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 63 152.481 -5.281 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 63 150.829 -5.650 7.481 1.00 0.00 H new ATOM 1045 N ASP A 64 151.477 -2.900 12.352 1.00 0.00 N ATOM 1046 CA ASP A 64 151.256 -3.055 13.787 1.00 0.00 C ATOM 1047 C ASP A 64 150.920 -1.715 14.442 1.00 0.00 C ATOM 1048 O ASP A 64 150.019 -1.636 15.278 1.00 0.00 O ATOM 1049 CB ASP A 64 152.492 -3.668 14.455 1.00 0.00 C ATOM 1050 CG ASP A 64 152.166 -4.928 15.235 1.00 0.00 C ATOM 1051 OD1 ASP A 64 151.530 -5.838 14.660 1.00 0.00 O ATOM 1052 OD2 ASP A 64 152.549 -5.007 16.421 1.00 0.00 O ATOM 0 H ASP A 64 152.381 -3.242 12.027 1.00 0.00 H new ATOM 0 HA ASP A 64 150.407 -3.725 13.923 1.00 0.00 H new ATOM 0 HB2 ASP A 64 153.236 -3.899 13.693 1.00 0.00 H new ATOM 0 HB3 ASP A 64 152.940 -2.935 15.126 1.00 0.00 H new ATOM 1057 N ILE A 65 151.644 -0.663 14.054 1.00 0.00 N ATOM 1058 CA ILE A 65 151.412 0.671 14.604 1.00 0.00 C ATOM 1059 C ILE A 65 150.043 1.207 14.185 1.00 0.00 C ATOM 1060 O ILE A 65 149.327 1.797 14.997 1.00 0.00 O ATOM 1061 CB ILE A 65 152.503 1.676 14.167 1.00 0.00 C ATOM 1062 CG1 ILE A 65 153.899 1.136 14.497 1.00 0.00 C ATOM 1063 CG2 ILE A 65 152.281 3.024 14.841 1.00 0.00 C ATOM 1064 CD1 ILE A 65 154.981 1.656 13.575 1.00 0.00 C ATOM 0 H ILE A 65 152.393 -0.710 13.363 1.00 0.00 H new ATOM 0 HA ILE A 65 151.448 0.569 15.689 1.00 0.00 H new ATOM 0 HB ILE A 65 152.435 1.811 13.088 1.00 0.00 H new ATOM 0 HG12 ILE A 65 154.149 1.402 15.524 1.00 0.00 H new ATOM 0 HG13 ILE A 65 153.880 0.047 14.445 1.00 0.00 H new ATOM 0 HG21 ILE A 65 153.056 3.721 14.524 1.00 0.00 H new ATOM 0 HG22 ILE A 65 151.304 3.415 14.559 1.00 0.00 H new ATOM 0 HG23 ILE A 65 152.324 2.901 15.923 1.00 0.00 H new ATOM 0 HD11 ILE A 65 155.942 1.233 13.867 1.00 0.00 H new ATOM 0 HD12 ILE A 65 154.754 1.368 12.549 1.00 0.00 H new ATOM 0 HD13 ILE A 65 155.027 2.743 13.645 1.00 0.00 H new ATOM 1076 N LEU A 66 149.682 0.997 12.917 1.00 0.00 N ATOM 1077 CA LEU A 66 148.395 1.459 12.401 1.00 0.00 C ATOM 1078 C LEU A 66 147.238 0.830 13.179 1.00 0.00 C ATOM 1079 O LEU A 66 146.287 1.519 13.551 1.00 0.00 O ATOM 1080 CB LEU A 66 148.263 1.134 10.910 1.00 0.00 C ATOM 1081 CG LEU A 66 147.079 1.802 10.202 1.00 0.00 C ATOM 1082 CD1 LEU A 66 147.368 3.274 9.944 1.00 0.00 C ATOM 1083 CD2 LEU A 66 146.757 1.084 8.898 1.00 0.00 C ATOM 0 H LEU A 66 150.262 0.512 12.232 1.00 0.00 H new ATOM 0 HA LEU A 66 148.351 2.541 12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 149.183 1.432 10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 66 148.172 0.054 10.796 1.00 0.00 H new ATOM 0 HG LEU A 66 146.209 1.733 10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 66 146.515 3.729 9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 66 147.544 3.782 10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 66 148.253 3.366 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 66 145.914 1.574 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 66 147.625 1.118 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 66 146.501 0.045 9.108 1.00 0.00 H new ATOM 1095 N ASP A 67 147.331 -0.481 13.429 1.00 0.00 N ATOM 1096 CA ASP A 67 146.293 -1.202 14.171 1.00 0.00 C ATOM 1097 C ASP A 67 146.080 -0.582 15.554 1.00 0.00 C ATOM 1098 O ASP A 67 144.954 -0.528 16.051 1.00 0.00 O ATOM 1099 CB ASP A 67 146.659 -2.686 14.315 1.00 0.00 C ATOM 1100 CG ASP A 67 145.967 -3.569 13.289 1.00 0.00 C ATOM 1101 OD1 ASP A 67 144.751 -3.388 13.066 1.00 0.00 O ATOM 1102 OD2 ASP A 67 146.644 -4.448 12.714 1.00 0.00 O ATOM 0 H ASP A 67 148.113 -1.063 13.129 1.00 0.00 H new ATOM 0 HA ASP A 67 145.364 -1.122 13.606 1.00 0.00 H new ATOM 0 HB2 ASP A 67 147.738 -2.800 14.216 1.00 0.00 H new ATOM 0 HB3 ASP A 67 146.394 -3.025 15.316 1.00 0.00 H new ATOM 1107 N ARG A 68 147.169 -0.110 16.167 1.00 0.00 N ATOM 1108 CA ARG A 68 147.103 0.513 17.488 1.00 0.00 C ATOM 1109 C ARG A 68 146.414 1.878 17.425 1.00 0.00 C ATOM 1110 O ARG A 68 145.703 2.263 18.354 1.00 0.00 O ATOM 1111 CB ARG A 68 148.508 0.666 18.077 1.00 0.00 C ATOM 1112 CG ARG A 68 148.543 0.574 19.594 1.00 0.00 C ATOM 1113 CD ARG A 68 149.954 0.746 20.130 1.00 0.00 C ATOM 1114 NE ARG A 68 150.107 0.163 21.463 1.00 0.00 N ATOM 1115 CZ ARG A 68 149.686 0.745 22.590 1.00 0.00 C ATOM 1116 NH1 ARG A 68 149.074 1.929 22.556 1.00 0.00 N ATOM 1117 NH2 ARG A 68 149.873 0.138 23.757 1.00 0.00 N ATOM 0 H ARG A 68 148.107 -0.148 15.768 1.00 0.00 H new ATOM 0 HA ARG A 68 146.513 -0.138 18.133 1.00 0.00 H new ATOM 0 HB2 ARG A 68 149.155 -0.106 17.659 1.00 0.00 H new ATOM 0 HB3 ARG A 68 148.919 1.627 17.770 1.00 0.00 H new ATOM 0 HG2 ARG A 68 147.895 1.339 20.021 1.00 0.00 H new ATOM 0 HG3 ARG A 68 148.148 -0.391 19.910 1.00 0.00 H new ATOM 0 HD2 ARG A 68 150.662 0.278 19.446 1.00 0.00 H new ATOM 0 HD3 ARG A 68 150.201 1.807 20.167 1.00 0.00 H new ATOM 0 HE ARG A 68 150.564 -0.746 21.537 1.00 0.00 H new ATOM 0 HH11 ARG A 68 148.923 2.400 21.664 1.00 0.00 H new ATOM 0 HH12 ARG A 68 148.757 2.364 23.422 1.00 0.00 H new ATOM 0 HH21 ARG A 68 150.337 -0.770 23.791 1.00 0.00 H new ATOM 0 HH22 ARG A 68 149.553 0.580 24.619 1.00 0.00 H new ATOM 1131 N SER A 69 146.627 2.605 16.328 1.00 0.00 N ATOM 1132 CA SER A 69 146.021 3.924 16.154 1.00 0.00 C ATOM 1133 C SER A 69 144.623 3.810 15.548 1.00 0.00 C ATOM 1134 O SER A 69 144.469 3.755 14.327 1.00 0.00 O ATOM 1135 CB SER A 69 146.904 4.813 15.269 1.00 0.00 C ATOM 1136 OG SER A 69 146.387 6.131 15.185 1.00 0.00 O ATOM 0 H SER A 69 147.213 2.304 15.549 1.00 0.00 H new ATOM 0 HA SER A 69 145.934 4.382 17.139 1.00 0.00 H new ATOM 0 HB2 SER A 69 147.916 4.842 15.673 1.00 0.00 H new ATOM 0 HB3 SER A 69 146.972 4.382 14.270 1.00 0.00 H new ATOM 0 HG SER A 69 146.776 6.586 14.409 1.00 0.00 H new ATOM 1142 N SER A 70 143.605 3.782 16.410 1.00 0.00 N ATOM 1143 CA SER A 70 142.213 3.685 15.962 1.00 0.00 C ATOM 1144 C SER A 70 141.845 4.855 15.045 1.00 0.00 C ATOM 1145 O SER A 70 141.098 4.685 14.082 1.00 0.00 O ATOM 1146 CB SER A 70 141.266 3.649 17.165 1.00 0.00 C ATOM 1147 OG SER A 70 141.309 4.870 17.886 1.00 0.00 O ATOM 0 H SER A 70 143.718 3.825 17.423 1.00 0.00 H new ATOM 0 HA SER A 70 142.108 2.759 15.397 1.00 0.00 H new ATOM 0 HB2 SER A 70 140.248 3.460 16.825 1.00 0.00 H new ATOM 0 HB3 SER A 70 141.540 2.825 17.823 1.00 0.00 H new ATOM 0 HG SER A 70 140.694 4.822 18.648 1.00 0.00 H new ATOM 1153 N SER A 71 142.378 6.042 15.356 1.00 0.00 N ATOM 1154 CA SER A 71 142.114 7.246 14.564 1.00 0.00 C ATOM 1155 C SER A 71 142.583 7.076 13.116 1.00 0.00 C ATOM 1156 O SER A 71 141.973 7.614 12.191 1.00 0.00 O ATOM 1157 CB SER A 71 142.803 8.462 15.198 1.00 0.00 C ATOM 1158 OG SER A 71 144.205 8.449 14.966 1.00 0.00 O ATOM 0 H SER A 71 142.996 6.193 16.153 1.00 0.00 H new ATOM 0 HA SER A 71 141.036 7.408 14.555 1.00 0.00 H new ATOM 0 HB2 SER A 71 142.375 9.377 14.790 1.00 0.00 H new ATOM 0 HB3 SER A 71 142.611 8.471 16.271 1.00 0.00 H new ATOM 0 HG SER A 71 144.556 7.550 15.136 1.00 0.00 H new ATOM 1164 N MET A 72 143.671 6.329 12.929 1.00 0.00 N ATOM 1165 CA MET A 72 144.222 6.090 11.600 1.00 0.00 C ATOM 1166 C MET A 72 143.541 4.902 10.926 1.00 0.00 C ATOM 1167 O MET A 72 143.527 3.795 11.467 1.00 0.00 O ATOM 1168 CB MET A 72 145.728 5.840 11.692 1.00 0.00 C ATOM 1169 CG MET A 72 146.569 7.069 11.387 1.00 0.00 C ATOM 1170 SD MET A 72 148.082 7.131 12.365 1.00 0.00 S ATOM 1171 CE MET A 72 148.595 8.825 12.091 1.00 0.00 C ATOM 0 H MET A 72 144.188 5.879 13.685 1.00 0.00 H new ATOM 0 HA MET A 72 144.039 6.978 10.995 1.00 0.00 H new ATOM 0 HB2 MET A 72 145.968 5.485 12.694 1.00 0.00 H new ATOM 0 HB3 MET A 72 145.999 5.044 10.999 1.00 0.00 H new ATOM 0 HG2 MET A 72 146.825 7.076 10.327 1.00 0.00 H new ATOM 0 HG3 MET A 72 145.979 7.965 11.579 1.00 0.00 H new ATOM 0 HE1 MET A 72 149.521 9.017 12.634 1.00 0.00 H new ATOM 0 HE2 MET A 72 148.758 8.988 11.026 1.00 0.00 H new ATOM 0 HE3 MET A 72 147.819 9.502 12.447 1.00 0.00 H new ATOM 1181 N LYS A 73 142.983 5.142 9.739 1.00 0.00 N ATOM 1182 CA LYS A 73 142.305 4.091 8.981 1.00 0.00 C ATOM 1183 C LYS A 73 143.151 3.633 7.789 1.00 0.00 C ATOM 1184 O LYS A 73 143.128 2.457 7.423 1.00 0.00 O ATOM 1185 CB LYS A 73 140.926 4.567 8.502 1.00 0.00 C ATOM 1186 CG LYS A 73 140.954 5.854 7.688 1.00 0.00 C ATOM 1187 CD LYS A 73 140.178 6.966 8.378 1.00 0.00 C ATOM 1188 CE LYS A 73 139.487 7.875 7.373 1.00 0.00 C ATOM 1189 NZ LYS A 73 138.085 8.191 7.772 1.00 0.00 N ATOM 0 H LYS A 73 142.987 6.054 9.282 1.00 0.00 H new ATOM 0 HA LYS A 73 142.168 3.240 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 73 140.472 3.780 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 73 140.284 4.714 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 73 141.987 6.168 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 73 140.530 5.671 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 73 139.435 6.531 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 73 140.857 7.555 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 73 140.053 8.801 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 73 139.485 7.397 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 137.653 8.813 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 137.537 7.310 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 138.086 8.671 8.694 1.00 0.00 H new ATOM 1203 N SER A 74 143.899 4.564 7.189 1.00 0.00 N ATOM 1204 CA SER A 74 144.751 4.246 6.045 1.00 0.00 C ATOM 1205 C SER A 74 146.225 4.473 6.381 1.00 0.00 C ATOM 1206 O SER A 74 146.551 5.254 7.278 1.00 0.00 O ATOM 1207 CB SER A 74 144.358 5.096 4.832 1.00 0.00 C ATOM 1208 OG SER A 74 142.949 5.224 4.724 1.00 0.00 O ATOM 0 H SER A 74 143.930 5.542 7.478 1.00 0.00 H new ATOM 0 HA SER A 74 144.608 3.193 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 74 144.809 6.085 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 74 144.754 4.642 3.924 1.00 0.00 H new ATOM 0 HG SER A 74 142.729 5.773 3.942 1.00 0.00 H new ATOM 1214 N LEU A 75 147.112 3.792 5.652 1.00 0.00 N ATOM 1215 CA LEU A 75 148.552 3.924 5.872 1.00 0.00 C ATOM 1216 C LEU A 75 149.137 5.013 4.974 1.00 0.00 C ATOM 1217 O LEU A 75 148.907 5.022 3.763 1.00 0.00 O ATOM 1218 CB LEU A 75 149.260 2.588 5.604 1.00 0.00 C ATOM 1219 CG LEU A 75 150.460 2.278 6.511 1.00 0.00 C ATOM 1220 CD1 LEU A 75 151.564 3.311 6.330 1.00 0.00 C ATOM 1221 CD2 LEU A 75 150.032 2.207 7.970 1.00 0.00 C ATOM 0 H LEU A 75 146.858 3.145 4.906 1.00 0.00 H new ATOM 0 HA LEU A 75 148.712 4.206 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 75 148.531 1.784 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 75 149.599 2.578 4.568 1.00 0.00 H new ATOM 0 HG LEU A 75 150.854 1.304 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 75 152.401 3.067 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 75 151.900 3.306 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 75 151.182 4.300 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 75 150.899 1.986 8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 75 149.603 3.163 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 75 149.287 1.421 8.093 1.00 0.00 H new ATOM 1233 N ARG A 76 149.892 5.930 5.578 1.00 0.00 N ATOM 1234 CA ARG A 76 150.510 7.028 4.838 1.00 0.00 C ATOM 1235 C ARG A 76 151.964 6.704 4.486 1.00 0.00 C ATOM 1236 O ARG A 76 152.836 6.699 5.358 1.00 0.00 O ATOM 1237 CB ARG A 76 150.442 8.325 5.656 1.00 0.00 C ATOM 1238 CG ARG A 76 149.353 9.283 5.195 1.00 0.00 C ATOM 1239 CD ARG A 76 147.964 8.760 5.533 1.00 0.00 C ATOM 1240 NE ARG A 76 147.337 9.513 6.621 1.00 0.00 N ATOM 1241 CZ ARG A 76 146.053 9.389 6.973 1.00 0.00 C ATOM 1242 NH1 ARG A 76 145.255 8.538 6.334 1.00 0.00 N ATOM 1243 NH2 ARG A 76 145.566 10.118 7.972 1.00 0.00 N ATOM 0 H ARG A 76 150.090 5.934 6.579 1.00 0.00 H new ATOM 0 HA ARG A 76 149.956 7.164 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 76 150.274 8.075 6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 76 151.406 8.831 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 76 149.500 10.255 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 76 149.433 9.434 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 76 147.332 8.813 4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 76 148.032 7.709 5.814 1.00 0.00 H new ATOM 0 HE ARG A 76 147.915 10.172 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 76 145.621 7.973 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 76 144.277 8.451 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 76 146.172 10.771 8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 76 144.587 10.024 8.241 1.00 0.00 H new ATOM 1257 N ILE A 77 152.216 6.435 3.203 1.00 0.00 N ATOM 1258 CA ILE A 77 153.563 6.112 2.733 1.00 0.00 C ATOM 1259 C ILE A 77 153.954 6.993 1.547 1.00 0.00 C ATOM 1260 O ILE A 77 153.183 7.147 0.597 1.00 0.00 O ATOM 1261 CB ILE A 77 153.687 4.627 2.317 1.00 0.00 C ATOM 1262 CG1 ILE A 77 153.068 3.713 3.379 1.00 0.00 C ATOM 1263 CG2 ILE A 77 155.146 4.259 2.085 1.00 0.00 C ATOM 1264 CD1 ILE A 77 151.698 3.193 3.002 1.00 0.00 C ATOM 0 H ILE A 77 151.505 6.435 2.472 1.00 0.00 H new ATOM 0 HA ILE A 77 154.238 6.300 3.568 1.00 0.00 H new ATOM 0 HB ILE A 77 153.141 4.487 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 77 153.734 2.868 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 77 152.995 4.259 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 77 155.215 3.211 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 77 155.557 4.884 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 77 155.712 4.418 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 77 151.320 2.553 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 77 151.018 4.032 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 77 151.768 2.619 2.078 1.00 0.00 H new ATOM 1276 N LEU A 78 155.156 7.567 1.608 1.00 0.00 N ATOM 1277 CA LEU A 78 155.653 8.432 0.540 1.00 0.00 C ATOM 1278 C LEU A 78 156.661 7.692 -0.336 1.00 0.00 C ATOM 1279 O LEU A 78 157.715 7.268 0.140 1.00 0.00 O ATOM 1280 CB LEU A 78 156.297 9.692 1.132 1.00 0.00 C ATOM 1281 CG LEU A 78 156.902 10.659 0.108 1.00 0.00 C ATOM 1282 CD1 LEU A 78 155.806 11.418 -0.628 1.00 0.00 C ATOM 1283 CD2 LEU A 78 157.860 11.627 0.790 1.00 0.00 C ATOM 0 H LEU A 78 155.803 7.448 2.387 1.00 0.00 H new ATOM 0 HA LEU A 78 154.806 8.724 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 78 155.545 10.227 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 78 157.080 9.388 1.827 1.00 0.00 H new ATOM 0 HG LEU A 78 157.463 10.077 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 78 156.257 12.099 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 78 155.161 10.711 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 155.214 11.988 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 78 158.280 12.306 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 157.322 12.201 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 78 158.665 11.067 1.267 1.00 0.00 H new ATOM 1295 N LEU A 79 156.334 7.545 -1.620 1.00 0.00 N ATOM 1296 CA LEU A 79 157.217 6.861 -2.563 1.00 0.00 C ATOM 1297 C LEU A 79 157.804 7.845 -3.574 1.00 0.00 C ATOM 1298 O LEU A 79 157.092 8.696 -4.110 1.00 0.00 O ATOM 1299 CB LEU A 79 156.469 5.735 -3.290 1.00 0.00 C ATOM 1300 CG LEU A 79 155.207 6.160 -4.052 1.00 0.00 C ATOM 1301 CD1 LEU A 79 155.511 6.353 -5.531 1.00 0.00 C ATOM 1302 CD2 LEU A 79 154.101 5.131 -3.865 1.00 0.00 C ATOM 0 H LEU A 79 155.466 7.890 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 79 158.037 6.422 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 79 157.155 5.263 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 79 156.191 4.976 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 79 154.866 7.112 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 79 154.603 6.654 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 79 156.270 7.126 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 155.878 5.417 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 79 153.213 5.448 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 79 154.435 4.165 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 79 153.862 5.042 -2.805 1.00 0.00 H new ATOM 1314 N LEU A 80 159.109 7.725 -3.826 1.00 0.00 N ATOM 1315 CA LEU A 80 159.796 8.607 -4.770 1.00 0.00 C ATOM 1316 C LEU A 80 160.764 7.822 -5.654 1.00 0.00 C ATOM 1317 O LEU A 80 161.345 6.824 -5.223 1.00 0.00 O ATOM 1318 CB LEU A 80 160.562 9.704 -4.023 1.00 0.00 C ATOM 1319 CG LEU A 80 159.837 10.311 -2.818 1.00 0.00 C ATOM 1320 CD1 LEU A 80 160.270 9.621 -1.531 1.00 0.00 C ATOM 1321 CD2 LEU A 80 160.100 11.810 -2.741 1.00 0.00 C ATOM 0 H LEU A 80 159.710 7.026 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 80 159.037 9.065 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 80 161.512 9.292 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 160.794 10.504 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 80 158.765 10.156 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 80 159.745 10.065 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 80 160.031 8.559 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 80 161.345 9.744 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 80 159.578 12.227 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 80 161.171 11.987 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 80 159.740 12.290 -3.651 1.00 0.00 H new ATOM 1333 N SER A 81 160.936 8.286 -6.892 1.00 0.00 N ATOM 1334 CA SER A 81 161.838 7.637 -7.844 1.00 0.00 C ATOM 1335 C SER A 81 163.296 7.938 -7.498 1.00 0.00 C ATOM 1336 O SER A 81 163.815 9.004 -7.838 1.00 0.00 O ATOM 1337 CB SER A 81 161.537 8.108 -9.272 1.00 0.00 C ATOM 1338 OG SER A 81 160.143 8.245 -9.488 1.00 0.00 O ATOM 0 H SER A 81 160.461 9.111 -7.260 1.00 0.00 H new ATOM 0 HA SER A 81 161.678 6.561 -7.782 1.00 0.00 H new ATOM 0 HB2 SER A 81 162.030 9.063 -9.453 1.00 0.00 H new ATOM 0 HB3 SER A 81 161.949 7.395 -9.986 1.00 0.00 H new ATOM 0 HG SER A 81 159.982 8.548 -10.406 1.00 0.00 H new ATOM 1344 N GLN A 82 163.953 6.998 -6.820 1.00 0.00 N ATOM 1345 CA GLN A 82 165.352 7.171 -6.431 1.00 0.00 C ATOM 1346 C GLN A 82 166.101 5.838 -6.479 1.00 0.00 C ATOM 1347 O GLN A 82 166.581 5.345 -5.454 1.00 0.00 O ATOM 1348 CB GLN A 82 165.451 7.785 -5.029 1.00 0.00 C ATOM 1349 CG GLN A 82 164.592 7.085 -3.987 1.00 0.00 C ATOM 1350 CD GLN A 82 164.897 7.549 -2.576 1.00 0.00 C ATOM 1351 OE1 GLN A 82 164.344 8.542 -2.105 1.00 0.00 O ATOM 1352 NE2 GLN A 82 165.782 6.831 -1.892 1.00 0.00 N ATOM 0 H GLN A 82 163.541 6.111 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 82 165.817 7.852 -7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 82 166.491 7.759 -4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 82 165.159 8.834 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 82 163.540 7.267 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 82 164.750 6.009 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 82 166.217 6.014 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 82 166.026 7.097 -0.938 1.00 0.00 H new ATOM 1361 N ASP A 83 166.199 5.260 -7.675 1.00 0.00 N ATOM 1362 CA ASP A 83 166.889 3.985 -7.854 1.00 0.00 C ATOM 1363 C ASP A 83 168.214 4.169 -8.586 1.00 0.00 C ATOM 1364 O ASP A 83 168.250 4.651 -9.720 1.00 0.00 O ATOM 1365 CB ASP A 83 166.002 2.987 -8.609 1.00 0.00 C ATOM 1366 CG ASP A 83 165.614 3.467 -9.998 1.00 0.00 C ATOM 1367 OD1 ASP A 83 164.839 4.441 -10.097 1.00 0.00 O ATOM 1368 OD2 ASP A 83 166.081 2.861 -10.986 1.00 0.00 O ATOM 0 H ASP A 83 165.810 5.654 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 83 167.101 3.585 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 83 166.526 2.035 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 83 165.098 2.802 -8.029 1.00 0.00 H new ATOM 1373 N ARG A 84 169.302 3.776 -7.928 1.00 0.00 N ATOM 1374 CA ARG A 84 170.639 3.885 -8.507 1.00 0.00 C ATOM 1375 C ARG A 84 171.192 2.498 -8.852 1.00 0.00 C ATOM 1376 O ARG A 84 172.387 2.238 -8.694 1.00 0.00 O ATOM 1377 CB ARG A 84 171.582 4.603 -7.533 1.00 0.00 C ATOM 1378 CG ARG A 84 171.210 6.056 -7.278 1.00 0.00 C ATOM 1379 CD ARG A 84 170.281 6.194 -6.081 1.00 0.00 C ATOM 1380 NE ARG A 84 170.945 6.812 -4.932 1.00 0.00 N ATOM 1381 CZ ARG A 84 170.297 7.323 -3.881 1.00 0.00 C ATOM 1382 NH1 ARG A 84 168.968 7.284 -3.820 1.00 0.00 N ATOM 1383 NH2 ARG A 84 170.982 7.873 -2.884 1.00 0.00 N ATOM 0 H ARG A 84 169.284 3.377 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 84 170.570 4.468 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 84 171.586 4.067 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 84 172.597 4.561 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 84 172.115 6.639 -7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 84 170.727 6.470 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 84 169.415 6.793 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 84 169.909 5.210 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 84 171.964 6.855 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 84 168.435 6.861 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 84 168.483 7.677 -3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 84 172.001 7.905 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 84 170.489 8.264 -2.081 1.00 0.00 H new ATOM 1397 N ASN A 85 170.314 1.607 -9.322 1.00 0.00 N ATOM 1398 CA ASN A 85 170.713 0.248 -9.682 1.00 0.00 C ATOM 1399 C ASN A 85 170.156 -0.146 -11.049 1.00 0.00 C ATOM 1400 O ASN A 85 168.944 -0.120 -11.266 1.00 0.00 O ATOM 1401 CB ASN A 85 170.238 -0.746 -8.615 1.00 0.00 C ATOM 1402 CG ASN A 85 168.759 -0.604 -8.297 1.00 0.00 C ATOM 1403 OD1 ASN A 85 168.348 0.332 -7.610 1.00 0.00 O ATOM 1404 ND2 ASN A 85 167.949 -1.533 -8.795 1.00 0.00 N ATOM 0 H ASN A 85 169.323 1.805 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 85 171.801 0.221 -9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 85 170.436 -1.762 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 85 170.817 -0.598 -7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 85 166.947 -1.486 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 85 168.330 -2.292 -9.360 1.00 0.00 H new ATOM 1411 N LEU A 86 171.052 -0.509 -11.966 1.00 0.00 N ATOM 1412 CA LEU A 86 170.657 -0.910 -13.315 1.00 0.00 C ATOM 1413 C LEU A 86 171.730 -1.793 -13.959 1.00 0.00 C ATOM 1414 O LEU A 86 172.066 -1.625 -15.134 1.00 0.00 O ATOM 1415 CB LEU A 86 170.400 0.332 -14.177 1.00 0.00 C ATOM 1416 CG LEU A 86 169.438 0.127 -15.350 1.00 0.00 C ATOM 1417 CD1 LEU A 86 167.999 0.356 -14.912 1.00 0.00 C ATOM 1418 CD2 LEU A 86 169.801 1.054 -16.501 1.00 0.00 C ATOM 0 H LEU A 86 172.058 -0.533 -11.799 1.00 0.00 H new ATOM 0 HA LEU A 86 169.737 -1.491 -13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 86 170.005 1.122 -13.538 1.00 0.00 H new ATOM 0 HB3 LEU A 86 171.354 0.686 -14.568 1.00 0.00 H new ATOM 0 HG LEU A 86 169.529 -0.903 -15.693 1.00 0.00 H new ATOM 0 HD11 LEU A 86 167.332 0.205 -15.761 1.00 0.00 H new ATOM 0 HD12 LEU A 86 167.743 -0.348 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 86 167.889 1.375 -14.541 1.00 0.00 H new ATOM 0 HD21 LEU A 86 169.108 0.896 -17.327 1.00 0.00 H new ATOM 0 HD22 LEU A 86 169.739 2.090 -16.168 1.00 0.00 H new ATOM 0 HD23 LEU A 86 170.817 0.841 -16.834 1.00 0.00 H new ATOM 1430 N GLU A 87 172.265 -2.735 -13.180 1.00 0.00 N ATOM 1431 CA GLU A 87 173.300 -3.644 -13.669 1.00 0.00 C ATOM 1432 C GLU A 87 172.698 -4.748 -14.537 1.00 0.00 C ATOM 1433 O GLU A 87 171.540 -5.131 -14.359 1.00 0.00 O ATOM 1434 CB GLU A 87 174.062 -4.272 -12.496 1.00 0.00 C ATOM 1435 CG GLU A 87 174.666 -3.255 -11.539 1.00 0.00 C ATOM 1436 CD GLU A 87 175.397 -3.907 -10.380 1.00 0.00 C ATOM 1437 OE1 GLU A 87 174.751 -4.170 -9.343 1.00 0.00 O ATOM 1438 OE2 GLU A 87 176.615 -4.155 -10.507 1.00 0.00 O ATOM 0 H GLU A 87 171.998 -2.887 -12.208 1.00 0.00 H new ATOM 0 HA GLU A 87 173.992 -3.061 -14.277 1.00 0.00 H new ATOM 0 HB2 GLU A 87 173.385 -4.921 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 87 174.858 -4.904 -12.889 1.00 0.00 H new ATOM 0 HG2 GLU A 87 175.358 -2.614 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 87 173.875 -2.613 -11.150 1.00 0.00 H new ATOM 1445 N HIS A 88 173.496 -5.257 -15.475 1.00 0.00 N ATOM 1446 CA HIS A 88 173.048 -6.320 -16.372 1.00 0.00 C ATOM 1447 C HIS A 88 174.040 -7.483 -16.385 1.00 0.00 C ATOM 1448 O HIS A 88 173.665 -8.628 -16.130 1.00 0.00 O ATOM 1449 CB HIS A 88 172.853 -5.779 -17.791 1.00 0.00 C ATOM 1450 CG HIS A 88 171.513 -5.142 -18.012 1.00 0.00 C ATOM 1451 ND1 HIS A 88 170.346 -5.622 -17.452 1.00 0.00 N ATOM 1452 CD2 HIS A 88 171.159 -4.057 -18.741 1.00 0.00 C ATOM 1453 CE1 HIS A 88 169.334 -4.861 -17.829 1.00 0.00 C ATOM 1454 NE2 HIS A 88 169.800 -3.904 -18.610 1.00 0.00 N ATOM 0 H HIS A 88 174.456 -4.950 -15.633 1.00 0.00 H new ATOM 0 HA HIS A 88 172.092 -6.689 -16.001 1.00 0.00 H new ATOM 0 HB2 HIS A 88 173.633 -5.048 -18.002 1.00 0.00 H new ATOM 0 HB3 HIS A 88 172.980 -6.595 -18.503 1.00 0.00 H new ATOM 0 HD2 HIS A 88 171.822 -3.429 -19.318 1.00 0.00 H new ATOM 0 HE1 HIS A 88 168.301 -4.998 -17.546 1.00 0.00 H new ATOM 0 HE2 HIS A 88 169.242 -3.170 -19.046 1.00 0.00 H new ATOM 1463 N HIS A 89 175.307 -7.182 -16.676 1.00 0.00 N ATOM 1464 CA HIS A 89 176.349 -8.206 -16.714 1.00 0.00 C ATOM 1465 C HIS A 89 177.140 -8.237 -15.400 1.00 0.00 C ATOM 1466 O HIS A 89 178.325 -8.580 -15.385 1.00 0.00 O ATOM 1467 CB HIS A 89 177.293 -7.960 -17.899 1.00 0.00 C ATOM 1468 CG HIS A 89 177.546 -9.182 -18.730 1.00 0.00 C ATOM 1469 ND1 HIS A 89 176.542 -10.029 -19.158 1.00 0.00 N ATOM 1470 CD2 HIS A 89 178.701 -9.699 -19.215 1.00 0.00 C ATOM 1471 CE1 HIS A 89 177.069 -11.011 -19.868 1.00 0.00 C ATOM 1472 NE2 HIS A 89 178.376 -10.833 -19.917 1.00 0.00 N ATOM 0 H HIS A 89 175.634 -6.239 -16.888 1.00 0.00 H new ATOM 0 HA HIS A 89 175.867 -9.175 -16.841 1.00 0.00 H new ATOM 0 HB2 HIS A 89 176.870 -7.181 -18.533 1.00 0.00 H new ATOM 0 HB3 HIS A 89 178.244 -7.584 -17.523 1.00 0.00 H new ATOM 0 HD2 HIS A 89 179.692 -9.294 -19.075 1.00 0.00 H new ATOM 0 HE1 HIS A 89 176.524 -11.821 -20.329 1.00 0.00 H new ATOM 0 HE2 HIS A 89 179.038 -11.441 -20.399 1.00 0.00 H new ATOM 1481 N HIS A 90 176.475 -7.883 -14.296 1.00 0.00 N ATOM 1482 CA HIS A 90 177.111 -7.877 -12.985 1.00 0.00 C ATOM 1483 C HIS A 90 176.141 -8.354 -11.907 1.00 0.00 C ATOM 1484 O HIS A 90 175.150 -7.684 -11.612 1.00 0.00 O ATOM 1485 CB HIS A 90 177.621 -6.474 -12.645 1.00 0.00 C ATOM 1486 CG HIS A 90 178.950 -6.477 -11.955 1.00 0.00 C ATOM 1487 ND1 HIS A 90 179.146 -5.942 -10.700 1.00 0.00 N ATOM 1488 CD2 HIS A 90 180.154 -6.958 -12.350 1.00 0.00 C ATOM 1489 CE1 HIS A 90 180.412 -6.091 -10.353 1.00 0.00 C ATOM 1490 NE2 HIS A 90 181.044 -6.705 -11.336 1.00 0.00 N ATOM 0 H HIS A 90 175.496 -7.597 -14.289 1.00 0.00 H new ATOM 0 HA HIS A 90 177.957 -8.564 -13.018 1.00 0.00 H new ATOM 0 HB2 HIS A 90 177.697 -5.891 -13.563 1.00 0.00 H new ATOM 0 HB3 HIS A 90 176.891 -5.974 -12.009 1.00 0.00 H new ATOM 0 HD1 HIS A 90 178.426 -5.500 -10.128 1.00 0.00 H new ATOM 0 HD2 HIS A 90 180.372 -7.449 -13.287 1.00 0.00 H new ATOM 0 HE1 HIS A 90 180.855 -5.766 -9.423 1.00 0.00 H new ATOM 1499 N HIS A 91 176.435 -9.519 -11.324 1.00 0.00 N ATOM 1500 CA HIS A 91 175.591 -10.098 -10.274 1.00 0.00 C ATOM 1501 C HIS A 91 176.193 -11.395 -9.731 1.00 0.00 C ATOM 1502 O HIS A 91 176.189 -11.627 -8.522 1.00 0.00 O ATOM 1503 CB HIS A 91 174.171 -10.360 -10.795 1.00 0.00 C ATOM 1504 CG HIS A 91 174.120 -11.136 -12.078 1.00 0.00 C ATOM 1505 ND1 HIS A 91 173.632 -12.423 -12.158 1.00 0.00 N ATOM 1506 CD2 HIS A 91 174.492 -10.798 -13.337 1.00 0.00 C ATOM 1507 CE1 HIS A 91 173.706 -12.843 -13.409 1.00 0.00 C ATOM 1508 NE2 HIS A 91 174.224 -11.876 -14.143 1.00 0.00 N ATOM 0 H HIS A 91 177.252 -10.081 -11.561 1.00 0.00 H new ATOM 0 HA HIS A 91 175.540 -9.374 -9.461 1.00 0.00 H new ATOM 0 HB2 HIS A 91 173.611 -10.902 -10.033 1.00 0.00 H new ATOM 0 HB3 HIS A 91 173.668 -9.404 -10.941 1.00 0.00 H new ATOM 0 HD2 HIS A 91 174.919 -9.856 -13.648 1.00 0.00 H new ATOM 0 HE1 HIS A 91 173.395 -13.813 -13.769 1.00 0.00 H new ATOM 0 HE2 HIS A 91 174.397 -11.922 -15.147 1.00 0.00 H new ATOM 1517 N HIS A 92 176.703 -12.235 -10.638 1.00 0.00 N ATOM 1518 CA HIS A 92 177.311 -13.515 -10.273 1.00 0.00 C ATOM 1519 C HIS A 92 176.247 -14.555 -9.930 1.00 0.00 C ATOM 1520 O HIS A 92 175.292 -14.269 -9.205 1.00 0.00 O ATOM 1521 CB HIS A 92 178.283 -13.353 -9.100 1.00 0.00 C ATOM 1522 CG HIS A 92 179.174 -14.541 -8.895 1.00 0.00 C ATOM 1523 ND1 HIS A 92 180.241 -14.832 -9.719 1.00 0.00 N ATOM 1524 CD2 HIS A 92 179.147 -15.519 -7.957 1.00 0.00 C ATOM 1525 CE1 HIS A 92 180.831 -15.937 -9.298 1.00 0.00 C ATOM 1526 NE2 HIS A 92 180.187 -16.373 -8.230 1.00 0.00 N ATOM 0 H HIS A 92 176.705 -12.046 -11.640 1.00 0.00 H new ATOM 0 HA HIS A 92 177.870 -13.865 -11.140 1.00 0.00 H new ATOM 0 HB2 HIS A 92 178.900 -12.470 -9.269 1.00 0.00 H new ATOM 0 HB3 HIS A 92 177.713 -13.174 -8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 92 178.439 -15.610 -7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 92 181.693 -16.404 -9.750 1.00 0.00 H new ATOM 0 HE2 HIS A 92 180.424 -17.208 -7.695 1.00 0.00 H new ATOM 1535 N HIS A 93 176.424 -15.762 -10.461 1.00 0.00 N ATOM 1536 CA HIS A 93 175.489 -16.856 -10.222 1.00 0.00 C ATOM 1537 C HIS A 93 176.181 -18.019 -9.513 1.00 0.00 C ATOM 1538 O HIS A 93 177.190 -18.526 -10.048 1.00 0.00 O ATOM 1539 CB HIS A 93 174.885 -17.330 -11.549 1.00 0.00 C ATOM 1540 CG HIS A 93 173.651 -18.163 -11.385 1.00 0.00 C ATOM 1541 ND1 HIS A 93 172.375 -17.640 -11.428 1.00 0.00 N ATOM 1542 CD2 HIS A 93 173.503 -19.493 -11.178 1.00 0.00 C ATOM 1543 CE1 HIS A 93 171.497 -18.611 -11.253 1.00 0.00 C ATOM 1544 NE2 HIS A 93 172.156 -19.745 -11.100 1.00 0.00 N ATOM 1545 OXT HIS A 93 175.707 -18.412 -8.426 1.00 0.00 O ATOM 0 H HIS A 93 177.211 -16.007 -11.062 1.00 0.00 H new ATOM 0 HA HIS A 93 174.690 -16.490 -9.577 1.00 0.00 H new ATOM 0 HB2 HIS A 93 174.647 -16.460 -12.161 1.00 0.00 H new ATOM 0 HB3 HIS A 93 175.633 -17.907 -12.093 1.00 0.00 H new ATOM 0 HD2 HIS A 93 174.297 -20.220 -11.091 1.00 0.00 H new ATOM 0 HE1 HIS A 93 170.423 -18.497 -11.238 1.00 0.00 H new ATOM 0 HE2 HIS A 93 171.732 -20.660 -10.948 1.00 0.00 H new TER 1554 HIS A 93