USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=17 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 85 ASN : amide:sc= -0.0318 K(o=-0.24,f=-1.3) USER MOD Set 1.2: A 91 HIS : no HD1:sc= -0.205 X(o=-0.24,f=-0.25) USER MOD Set 2.1: A 69 SER OG : rot 140:sc= -0.473 USER MOD Set 2.2: A 72 MET CE :methyl 131:sc= -0.0727 (180deg=-0.407) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.32) USER MOD Set 3.2: A 93 HIS : no HD1:sc= 0 X(o=-0.084,f=-0.084) USER MOD Set 4.1: A 24 LYS NZ :NH3+ 160:sc= 0 (180deg=0) USER MOD Set 4.2: A 56 GLN : amide:sc= 0.457 K(o=0.46,f=-6.3!) USER MOD Set 5.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 74 SER OG : rot 120:sc= -1.18 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.0012) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 78:sc= 0.869 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.523 USER MOD Single : A 34 THR OG1 : rot 76:sc= 0.892 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HE2:sc= -2.05 K(o=-2,f=-2.9!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.288 USER MOD Single : A 45 MET CE :methyl 145:sc= -0.428 (180deg=-1.79!) USER MOD Single : A 46 ASN : amide:sc= -1.03 X(o=-1,f=-1.5!) USER MOD Single : A 47 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.1) USER MOD Single : A 50 SER OG : rot 40:sc= 0.0498 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=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 71 SER OG : rot 180:sc= -0.018 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.1) USER MOD Single : A 89 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.016) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 92 HIS : no HE2:sc= -0.693 K(o=-0.69,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 143.701 -8.231 11.508 1.00 0.00 N ATOM 2 CA GLN A 1 144.262 -9.456 10.870 1.00 0.00 C ATOM 3 C GLN A 1 143.902 -9.514 9.385 1.00 0.00 C ATOM 4 O GLN A 1 142.725 -9.460 9.022 1.00 0.00 O ATOM 5 CB GLN A 1 143.714 -10.687 11.603 1.00 0.00 C ATOM 6 CG GLN A 1 144.413 -11.990 11.236 1.00 0.00 C ATOM 7 CD GLN A 1 144.191 -13.078 12.271 1.00 0.00 C ATOM 8 OE1 GLN A 1 144.626 -12.956 13.416 1.00 0.00 O ATOM 9 NE2 GLN A 1 143.512 -14.151 11.876 1.00 0.00 N ATOM 0 H1 GLN A 1 143.959 -8.215 12.515 1.00 0.00 H new ATOM 0 H2 GLN A 1 144.087 -7.387 11.038 1.00 0.00 H new ATOM 0 H3 GLN A 1 142.665 -8.235 11.416 1.00 0.00 H new ATOM 0 HA GLN A 1 145.349 -9.435 10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 1 143.806 -10.528 12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 1 142.650 -10.783 11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 1 144.049 -12.334 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 1 145.482 -11.808 11.128 1.00 0.00 H new ATOM 0 HE21 GLN A 1 143.169 -14.213 10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 1 143.335 -14.912 12.531 1.00 0.00 H new ATOM 17 N SER A 2 144.928 -9.619 8.535 1.00 0.00 N ATOM 18 CA SER A 2 144.745 -9.679 7.082 1.00 0.00 C ATOM 19 C SER A 2 144.186 -8.363 6.538 1.00 0.00 C ATOM 20 O SER A 2 143.772 -7.492 7.305 1.00 0.00 O ATOM 21 CB SER A 2 143.826 -10.843 6.700 1.00 0.00 C ATOM 22 OG SER A 2 144.577 -11.992 6.345 1.00 0.00 O ATOM 0 H SER A 2 145.903 -9.665 8.832 1.00 0.00 H new ATOM 0 HA SER A 2 145.724 -9.843 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 2 143.167 -11.079 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 143.189 -10.549 5.866 1.00 0.00 H new ATOM 0 HG SER A 2 143.967 -12.721 6.107 1.00 0.00 H new ATOM 28 N ASP A 3 144.187 -8.229 5.208 1.00 0.00 N ATOM 29 CA ASP A 3 143.691 -7.023 4.538 1.00 0.00 C ATOM 30 C ASP A 3 144.390 -5.770 5.063 1.00 0.00 C ATOM 31 O ASP A 3 143.888 -5.097 5.965 1.00 0.00 O ATOM 32 CB ASP A 3 142.174 -6.884 4.706 1.00 0.00 C ATOM 33 CG ASP A 3 141.396 -7.776 3.756 1.00 0.00 C ATOM 34 OD1 ASP A 3 141.777 -7.860 2.568 1.00 0.00 O ATOM 35 OD2 ASP A 3 140.404 -8.389 4.200 1.00 0.00 O ATOM 0 H ASP A 3 144.529 -8.947 4.570 1.00 0.00 H new ATOM 0 HA ASP A 3 143.917 -7.126 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 3 141.902 -7.129 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 3 141.888 -5.846 4.540 1.00 0.00 H new ATOM 40 N VAL A 4 145.553 -5.465 4.493 1.00 0.00 N ATOM 41 CA VAL A 4 146.322 -4.294 4.904 1.00 0.00 C ATOM 42 C VAL A 4 145.888 -3.048 4.133 1.00 0.00 C ATOM 43 O VAL A 4 145.849 -3.053 2.902 1.00 0.00 O ATOM 44 CB VAL A 4 147.838 -4.502 4.696 1.00 0.00 C ATOM 45 CG1 VAL A 4 148.622 -3.362 5.329 1.00 0.00 C ATOM 46 CG2 VAL A 4 148.288 -5.842 5.261 1.00 0.00 C ATOM 0 H VAL A 4 145.983 -6.011 3.747 1.00 0.00 H new ATOM 0 HA VAL A 4 146.125 -4.154 5.967 1.00 0.00 H new ATOM 0 HB VAL A 4 148.037 -4.506 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 4 149.689 -3.524 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 4 148.327 -2.419 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 4 148.413 -3.326 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 4 149.359 -5.963 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 4 148.074 -5.877 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 4 147.753 -6.647 4.758 1.00 0.00 H new ATOM 56 N ARG A 5 145.572 -1.978 4.864 1.00 0.00 N ATOM 57 CA ARG A 5 145.152 -0.724 4.242 1.00 0.00 C ATOM 58 C ARG A 5 146.321 0.255 4.159 1.00 0.00 C ATOM 59 O ARG A 5 146.745 0.820 5.170 1.00 0.00 O ATOM 60 CB ARG A 5 143.996 -0.095 5.025 1.00 0.00 C ATOM 61 CG ARG A 5 142.888 0.447 4.135 1.00 0.00 C ATOM 62 CD ARG A 5 141.513 0.205 4.739 1.00 0.00 C ATOM 63 NE ARG A 5 140.488 1.046 4.121 1.00 0.00 N ATOM 64 CZ ARG A 5 140.343 2.351 4.367 1.00 0.00 C ATOM 65 NH1 ARG A 5 141.158 2.973 5.218 1.00 0.00 N ATOM 66 NH2 ARG A 5 139.380 3.036 3.760 1.00 0.00 N ATOM 0 H ARG A 5 145.599 -1.955 5.883 1.00 0.00 H new ATOM 0 HA ARG A 5 144.811 -0.946 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 5 143.577 -0.840 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 5 144.384 0.714 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 5 143.035 1.516 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 5 142.944 -0.027 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 5 141.243 -0.844 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 5 141.547 0.403 5.810 1.00 0.00 H new ATOM 0 HE ARG A 5 139.844 0.609 3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 5 141.899 2.452 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 5 141.041 3.970 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 5 138.753 2.565 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 5 139.268 4.032 3.947 1.00 0.00 H new ATOM 80 N ILE A 6 146.841 0.449 2.949 1.00 0.00 N ATOM 81 CA ILE A 6 147.965 1.356 2.734 1.00 0.00 C ATOM 82 C ILE A 6 147.527 2.616 1.989 1.00 0.00 C ATOM 83 O ILE A 6 146.816 2.537 0.984 1.00 0.00 O ATOM 84 CB ILE A 6 149.097 0.671 1.935 1.00 0.00 C ATOM 85 CG1 ILE A 6 149.445 -0.691 2.546 1.00 0.00 C ATOM 86 CG2 ILE A 6 150.330 1.564 1.883 1.00 0.00 C ATOM 87 CD1 ILE A 6 148.626 -1.833 1.984 1.00 0.00 C ATOM 0 H ILE A 6 146.502 -0.010 2.103 1.00 0.00 H new ATOM 0 HA ILE A 6 148.338 1.632 3.720 1.00 0.00 H new ATOM 0 HB ILE A 6 148.745 0.508 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 6 150.502 -0.896 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 6 149.297 -0.645 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 6 151.117 1.066 1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 6 150.076 2.507 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.681 1.759 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 6 148.926 -2.766 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 6 147.568 -1.651 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 6 148.793 -1.906 0.909 1.00 0.00 H new ATOM 99 N LYS A 7 147.966 3.774 2.482 1.00 0.00 N ATOM 100 CA LYS A 7 147.632 5.052 1.857 1.00 0.00 C ATOM 101 C LYS A 7 148.872 5.677 1.218 1.00 0.00 C ATOM 102 O LYS A 7 149.747 6.198 1.913 1.00 0.00 O ATOM 103 CB LYS A 7 147.024 6.011 2.886 1.00 0.00 C ATOM 104 CG LYS A 7 145.638 6.509 2.506 1.00 0.00 C ATOM 105 CD LYS A 7 145.253 7.754 3.294 1.00 0.00 C ATOM 106 CE LYS A 7 145.137 7.462 4.783 1.00 0.00 C ATOM 107 NZ LYS A 7 143.883 6.726 5.117 1.00 0.00 N ATOM 0 H LYS A 7 148.554 3.853 3.312 1.00 0.00 H new ATOM 0 HA LYS A 7 146.894 4.868 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 7 146.969 5.508 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 7 147.688 6.867 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 7 145.610 6.730 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 7 144.906 5.722 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 7 145.999 8.532 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 7 144.304 8.140 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 7 145.997 6.875 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 7 145.165 8.399 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 143.847 6.549 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 143.060 7.296 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 143.867 5.819 4.608 1.00 0.00 H new ATOM 121 N PHE A 8 148.938 5.613 -0.111 1.00 0.00 N ATOM 122 CA PHE A 8 150.067 6.165 -0.859 1.00 0.00 C ATOM 123 C PHE A 8 149.786 7.600 -1.302 1.00 0.00 C ATOM 124 O PHE A 8 148.639 7.962 -1.566 1.00 0.00 O ATOM 125 CB PHE A 8 150.362 5.297 -2.086 1.00 0.00 C ATOM 126 CG PHE A 8 151.079 4.015 -1.766 1.00 0.00 C ATOM 127 CD1 PHE A 8 152.382 4.033 -1.295 1.00 0.00 C ATOM 128 CD2 PHE A 8 150.451 2.793 -1.945 1.00 0.00 C ATOM 129 CE1 PHE A 8 153.045 2.856 -1.008 1.00 0.00 C ATOM 130 CE2 PHE A 8 151.110 1.612 -1.661 1.00 0.00 C ATOM 131 CZ PHE A 8 152.408 1.643 -1.192 1.00 0.00 C ATOM 0 H PHE A 8 148.220 5.183 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 8 150.935 6.171 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 8 149.423 5.062 -2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 8 150.963 5.872 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 8 152.885 4.978 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 8 149.435 2.763 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 8 154.060 2.883 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 8 150.610 0.666 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 8 152.925 0.721 -0.969 1.00 0.00 H new ATOM 141 N GLU A 9 150.841 8.412 -1.387 1.00 0.00 N ATOM 142 CA GLU A 9 150.702 9.806 -1.804 1.00 0.00 C ATOM 143 C GLU A 9 151.787 10.192 -2.807 1.00 0.00 C ATOM 144 O GLU A 9 152.981 10.038 -2.541 1.00 0.00 O ATOM 145 CB GLU A 9 150.756 10.738 -0.591 1.00 0.00 C ATOM 146 CG GLU A 9 150.239 12.140 -0.884 1.00 0.00 C ATOM 147 CD GLU A 9 149.446 12.736 0.265 1.00 0.00 C ATOM 148 OE1 GLU A 9 148.600 12.019 0.842 1.00 0.00 O ATOM 149 OE2 GLU A 9 149.669 13.922 0.586 1.00 0.00 O ATOM 0 H GLU A 9 151.797 8.129 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 9 149.732 9.912 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 9 150.169 10.304 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 9 151.785 10.804 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 9 151.083 12.791 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 9 149.611 12.110 -1.774 1.00 0.00 H new ATOM 156 N HIS A 10 151.358 10.697 -3.962 1.00 0.00 N ATOM 157 CA HIS A 10 152.277 11.112 -5.015 1.00 0.00 C ATOM 158 C HIS A 10 151.766 12.376 -5.704 1.00 0.00 C ATOM 159 O HIS A 10 150.608 12.439 -6.118 1.00 0.00 O ATOM 160 CB HIS A 10 152.447 9.988 -6.037 1.00 0.00 C ATOM 161 CG HIS A 10 153.561 10.215 -7.011 1.00 0.00 C ATOM 162 ND1 HIS A 10 153.620 9.586 -8.234 1.00 0.00 N ATOM 163 CD2 HIS A 10 154.660 11.005 -6.942 1.00 0.00 C ATOM 164 CE1 HIS A 10 154.706 9.975 -8.876 1.00 0.00 C ATOM 165 NE2 HIS A 10 155.355 10.838 -8.114 1.00 0.00 N ATOM 0 H HIS A 10 150.373 10.828 -4.191 1.00 0.00 H new ATOM 0 HA HIS A 10 153.245 11.330 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 10 152.626 9.053 -5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 10 151.515 9.868 -6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 10 154.937 11.646 -6.119 1.00 0.00 H new ATOM 0 HE1 HIS A 10 155.012 9.644 -9.857 1.00 0.00 H new ATOM 0 HE2 HIS A 10 156.229 11.304 -8.357 1.00 0.00 H new ATOM 174 N ASN A 11 152.638 13.379 -5.820 1.00 0.00 N ATOM 175 CA ASN A 11 152.282 14.648 -6.456 1.00 0.00 C ATOM 176 C ASN A 11 151.127 15.336 -5.718 1.00 0.00 C ATOM 177 O ASN A 11 150.341 16.069 -6.322 1.00 0.00 O ATOM 178 CB ASN A 11 151.912 14.423 -7.926 1.00 0.00 C ATOM 179 CG ASN A 11 152.326 15.588 -8.806 1.00 0.00 C ATOM 180 OD1 ASN A 11 151.536 16.494 -9.068 1.00 0.00 O ATOM 181 ND2 ASN A 11 153.574 15.573 -9.265 1.00 0.00 N ATOM 0 H ASN A 11 153.599 13.336 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 11 153.152 15.303 -6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 11 152.391 13.511 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 11 150.836 14.272 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 11 153.908 16.332 -9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 11 154.197 14.802 -9.024 1.00 0.00 H new ATOM 188 N GLY A 12 151.030 15.097 -4.407 1.00 0.00 N ATOM 189 CA GLY A 12 149.969 15.701 -3.614 1.00 0.00 C ATOM 190 C GLY A 12 148.679 14.886 -3.611 1.00 0.00 C ATOM 191 O GLY A 12 147.793 15.130 -2.789 1.00 0.00 O ATOM 0 H GLY A 12 151.667 14.497 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 12 150.316 15.823 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 12 149.759 16.699 -4.000 1.00 0.00 H new ATOM 195 N GLU A 13 148.568 13.918 -4.528 1.00 0.00 N ATOM 196 CA GLU A 13 147.377 13.075 -4.622 1.00 0.00 C ATOM 197 C GLU A 13 147.536 11.811 -3.779 1.00 0.00 C ATOM 198 O GLU A 13 148.562 11.131 -3.853 1.00 0.00 O ATOM 199 CB GLU A 13 147.110 12.693 -6.081 1.00 0.00 C ATOM 200 CG GLU A 13 146.494 13.817 -6.904 1.00 0.00 C ATOM 201 CD GLU A 13 146.476 13.526 -8.395 1.00 0.00 C ATOM 202 OE1 GLU A 13 147.399 12.837 -8.882 1.00 0.00 O ATOM 203 OE2 GLU A 13 145.537 13.988 -9.076 1.00 0.00 O ATOM 0 H GLU A 13 149.290 13.701 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 13 146.530 13.644 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 13 148.048 12.387 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 13 146.445 11.830 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 13 145.474 13.992 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 13 147.052 14.736 -6.726 1.00 0.00 H new ATOM 210 N ARG A 14 146.514 11.502 -2.979 1.00 0.00 N ATOM 211 CA ARG A 14 146.539 10.319 -2.120 1.00 0.00 C ATOM 212 C ARG A 14 145.707 9.183 -2.719 1.00 0.00 C ATOM 213 O ARG A 14 144.700 9.421 -3.390 1.00 0.00 O ATOM 214 CB ARG A 14 146.030 10.664 -0.715 1.00 0.00 C ATOM 215 CG ARG A 14 144.578 11.117 -0.676 1.00 0.00 C ATOM 216 CD ARG A 14 144.161 11.538 0.725 1.00 0.00 C ATOM 217 NE ARG A 14 144.194 12.991 0.897 1.00 0.00 N ATOM 218 CZ ARG A 14 143.653 13.632 1.936 1.00 0.00 C ATOM 219 NH1 ARG A 14 143.045 12.956 2.907 1.00 0.00 N ATOM 220 NH2 ARG A 14 143.723 14.957 2.007 1.00 0.00 N ATOM 0 H ARG A 14 145.660 12.055 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 14 147.573 9.981 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 14 146.144 9.790 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 14 146.657 11.451 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 14 144.438 11.951 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 14 143.934 10.308 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 14 143.154 11.172 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 14 144.823 11.072 1.455 1.00 0.00 H new ATOM 0 HE ARG A 14 144.658 13.548 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 14 142.989 11.939 2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 14 142.635 13.455 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 14 144.190 15.483 1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 14 143.310 15.448 2.800 1.00 0.00 H new ATOM 234 N ARG A 15 146.135 7.944 -2.469 1.00 0.00 N ATOM 235 CA ARG A 15 145.436 6.765 -2.978 1.00 0.00 C ATOM 236 C ARG A 15 145.339 5.681 -1.905 1.00 0.00 C ATOM 237 O ARG A 15 146.280 5.470 -1.137 1.00 0.00 O ATOM 238 CB ARG A 15 146.154 6.213 -4.214 1.00 0.00 C ATOM 239 CG ARG A 15 145.212 5.813 -5.340 1.00 0.00 C ATOM 240 CD ARG A 15 145.973 5.260 -6.537 1.00 0.00 C ATOM 241 NE ARG A 15 145.184 5.325 -7.766 1.00 0.00 N ATOM 242 CZ ARG A 15 145.022 6.436 -8.492 1.00 0.00 C ATOM 243 NH1 ARG A 15 145.591 7.579 -8.114 1.00 0.00 N ATOM 244 NH2 ARG A 15 144.289 6.402 -9.600 1.00 0.00 N ATOM 0 H ARG A 15 146.965 7.732 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 15 144.426 7.066 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 15 146.851 6.965 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 15 146.746 5.346 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 15 144.508 5.064 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 15 144.625 6.678 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 15 146.898 5.822 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 15 146.254 4.225 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 15 144.730 4.471 -8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 15 146.155 7.611 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 15 145.463 8.422 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 15 143.851 5.529 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 15 144.164 7.249 -10.155 1.00 0.00 H new ATOM 258 N ILE A 16 144.195 4.996 -1.858 1.00 0.00 N ATOM 259 CA ILE A 16 143.972 3.933 -0.880 1.00 0.00 C ATOM 260 C ILE A 16 143.901 2.564 -1.560 1.00 0.00 C ATOM 261 O ILE A 16 143.051 2.335 -2.423 1.00 0.00 O ATOM 262 CB ILE A 16 142.671 4.166 -0.079 1.00 0.00 C ATOM 263 CG1 ILE A 16 142.616 5.601 0.455 1.00 0.00 C ATOM 264 CG2 ILE A 16 142.563 3.166 1.066 1.00 0.00 C ATOM 265 CD1 ILE A 16 141.318 5.937 1.159 1.00 0.00 C ATOM 0 H ILE A 16 143.409 5.160 -2.487 1.00 0.00 H new ATOM 0 HA ILE A 16 144.819 3.952 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 16 141.824 4.017 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 143.445 5.754 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 16 142.760 6.294 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 16 141.641 3.345 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 16 142.555 2.153 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 16 143.416 3.284 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 16 141.351 6.968 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 16 140.486 5.816 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 16 141.181 5.269 2.009 1.00 0.00 H new ATOM 277 N ILE A 17 144.800 1.660 -1.166 1.00 0.00 N ATOM 278 CA ILE A 17 144.841 0.314 -1.737 1.00 0.00 C ATOM 279 C ILE A 17 144.960 -0.747 -0.641 1.00 0.00 C ATOM 280 O ILE A 17 145.788 -0.626 0.265 1.00 0.00 O ATOM 281 CB ILE A 17 146.019 0.154 -2.725 1.00 0.00 C ATOM 282 CG1 ILE A 17 146.046 1.314 -3.724 1.00 0.00 C ATOM 283 CG2 ILE A 17 145.923 -1.178 -3.460 1.00 0.00 C ATOM 284 CD1 ILE A 17 147.284 1.336 -4.596 1.00 0.00 C ATOM 0 H ILE A 17 145.509 1.836 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 17 143.905 0.172 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 17 146.948 0.169 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 17 145.164 1.254 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 17 145.980 2.255 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 17 146.760 -1.273 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 17 145.953 -1.995 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 17 144.987 -1.220 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 17 147.233 2.185 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 17 148.170 1.428 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 17 147.341 0.411 -5.170 1.00 0.00 H new ATOM 296 N ALA A 18 144.130 -1.787 -0.734 1.00 0.00 N ATOM 297 CA ALA A 18 144.138 -2.874 0.244 1.00 0.00 C ATOM 298 C ALA A 18 144.880 -4.097 -0.296 1.00 0.00 C ATOM 299 O ALA A 18 144.775 -4.425 -1.479 1.00 0.00 O ATOM 300 CB ALA A 18 142.714 -3.245 0.632 1.00 0.00 C ATOM 0 H ALA A 18 143.442 -1.899 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 18 144.666 -2.526 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 18 142.735 -4.055 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 18 142.218 -2.378 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 18 142.168 -3.568 -0.254 1.00 0.00 H new ATOM 306 N PHE A 19 145.631 -4.767 0.581 1.00 0.00 N ATOM 307 CA PHE A 19 146.395 -5.954 0.196 1.00 0.00 C ATOM 308 C PHE A 19 146.026 -7.158 1.062 1.00 0.00 C ATOM 309 O PHE A 19 145.926 -7.048 2.285 1.00 0.00 O ATOM 310 CB PHE A 19 147.897 -5.678 0.307 1.00 0.00 C ATOM 311 CG PHE A 19 148.512 -5.175 -0.970 1.00 0.00 C ATOM 312 CD1 PHE A 19 148.543 -3.819 -1.253 1.00 0.00 C ATOM 313 CD2 PHE A 19 149.052 -6.061 -1.890 1.00 0.00 C ATOM 314 CE1 PHE A 19 149.105 -3.356 -2.427 1.00 0.00 C ATOM 315 CE2 PHE A 19 149.614 -5.603 -3.066 1.00 0.00 C ATOM 316 CZ PHE A 19 149.640 -4.249 -3.336 1.00 0.00 C ATOM 0 H PHE A 19 145.726 -4.507 1.563 1.00 0.00 H new ATOM 0 HA PHE A 19 146.146 -6.188 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 19 148.066 -4.945 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 19 148.405 -6.594 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 19 148.123 -3.116 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 19 149.033 -7.121 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 19 149.126 -2.296 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 19 150.033 -6.303 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 19 150.077 -3.889 -4.255 1.00 0.00 H new ATOM 326 N SER A 20 145.831 -8.309 0.417 1.00 0.00 N ATOM 327 CA SER A 20 145.476 -9.541 1.120 1.00 0.00 C ATOM 328 C SER A 20 146.725 -10.290 1.585 1.00 0.00 C ATOM 329 O SER A 20 147.685 -10.444 0.827 1.00 0.00 O ATOM 330 CB SER A 20 144.640 -10.446 0.211 1.00 0.00 C ATOM 331 OG SER A 20 143.415 -9.826 -0.141 1.00 0.00 O ATOM 0 H SER A 20 145.913 -8.413 -0.594 1.00 0.00 H new ATOM 0 HA SER A 20 144.890 -9.269 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 20 145.204 -10.681 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 20 144.441 -11.390 0.717 1.00 0.00 H new ATOM 0 HG SER A 20 142.901 -10.424 -0.723 1.00 0.00 H new ATOM 337 N ARG A 21 146.703 -10.757 2.833 1.00 0.00 N ATOM 338 CA ARG A 21 147.832 -11.495 3.398 1.00 0.00 C ATOM 339 C ARG A 21 147.841 -12.944 2.905 1.00 0.00 C ATOM 340 O ARG A 21 146.786 -13.521 2.637 1.00 0.00 O ATOM 341 CB ARG A 21 147.774 -11.470 4.930 1.00 0.00 C ATOM 342 CG ARG A 21 148.827 -10.578 5.567 1.00 0.00 C ATOM 343 CD ARG A 21 148.448 -9.108 5.469 1.00 0.00 C ATOM 344 NE ARG A 21 148.608 -8.410 6.745 1.00 0.00 N ATOM 345 CZ ARG A 21 149.784 -8.008 7.234 1.00 0.00 C ATOM 346 NH1 ARG A 21 150.914 -8.274 6.583 1.00 0.00 N ATOM 347 NH2 ARG A 21 149.831 -7.342 8.384 1.00 0.00 N ATOM 0 H ARG A 21 145.917 -10.637 3.471 1.00 0.00 H new ATOM 0 HA ARG A 21 148.750 -11.009 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 21 146.786 -11.131 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 21 147.895 -12.486 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 21 148.953 -10.853 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 21 149.787 -10.740 5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 21 149.066 -8.625 4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 21 147.413 -9.023 5.137 1.00 0.00 H new ATOM 0 HE ARG A 21 147.770 -8.219 7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 150.886 -8.789 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 21 151.808 -7.963 6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 21 148.970 -7.139 8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 21 150.728 -7.034 8.759 1.00 0.00 H new ATOM 361 N PRO A 22 149.038 -13.556 2.778 1.00 0.00 N ATOM 362 CA PRO A 22 150.315 -12.901 3.086 1.00 0.00 C ATOM 363 C PRO A 22 150.758 -11.939 1.987 1.00 0.00 C ATOM 364 O PRO A 22 150.927 -12.337 0.833 1.00 0.00 O ATOM 365 CB PRO A 22 151.289 -14.074 3.192 1.00 0.00 C ATOM 366 CG PRO A 22 150.726 -15.114 2.284 1.00 0.00 C ATOM 367 CD PRO A 22 149.229 -14.945 2.319 1.00 0.00 C ATOM 0 HA PRO A 22 150.255 -12.290 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 22 152.294 -13.783 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 22 151.360 -14.439 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 22 151.107 -14.992 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 22 151.012 -16.113 2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 22 148.786 -15.105 1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 22 148.762 -15.658 2.999 1.00 0.00 H new ATOM 375 N VAL A 23 150.952 -10.673 2.352 1.00 0.00 N ATOM 376 CA VAL A 23 151.380 -9.661 1.394 1.00 0.00 C ATOM 377 C VAL A 23 152.899 -9.697 1.208 1.00 0.00 C ATOM 378 O VAL A 23 153.658 -9.509 2.161 1.00 0.00 O ATOM 379 CB VAL A 23 150.929 -8.242 1.822 1.00 0.00 C ATOM 380 CG1 VAL A 23 151.571 -7.833 3.141 1.00 0.00 C ATOM 381 CG2 VAL A 23 151.243 -7.229 0.730 1.00 0.00 C ATOM 0 H VAL A 23 150.819 -10.326 3.302 1.00 0.00 H new ATOM 0 HA VAL A 23 150.902 -9.893 0.442 1.00 0.00 H new ATOM 0 HB VAL A 23 149.850 -8.263 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 23 151.235 -6.833 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 23 151.283 -8.538 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 23 152.656 -7.835 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 23 150.919 -6.238 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 23 152.317 -7.217 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 23 150.718 -7.505 -0.185 1.00 0.00 H new ATOM 391 N LYS A 24 153.332 -9.952 -0.026 1.00 0.00 N ATOM 392 CA LYS A 24 154.756 -10.022 -0.343 1.00 0.00 C ATOM 393 C LYS A 24 155.244 -8.712 -0.951 1.00 0.00 C ATOM 394 O LYS A 24 154.520 -8.065 -1.710 1.00 0.00 O ATOM 395 CB LYS A 24 155.035 -11.174 -1.317 1.00 0.00 C ATOM 396 CG LYS A 24 154.476 -12.517 -0.867 1.00 0.00 C ATOM 397 CD LYS A 24 155.156 -13.013 0.402 1.00 0.00 C ATOM 398 CE LYS A 24 156.548 -13.557 0.116 1.00 0.00 C ATOM 399 NZ LYS A 24 157.551 -13.082 1.111 1.00 0.00 N ATOM 0 H LYS A 24 152.716 -10.114 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 24 155.295 -10.200 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 24 154.612 -10.924 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 24 156.112 -11.268 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 24 153.404 -12.425 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 154.609 -13.251 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 24 155.224 -12.197 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 24 154.547 -13.792 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 24 156.519 -14.647 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 24 156.857 -13.252 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 158.378 -13.713 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 157.849 -12.116 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 157.127 -13.086 2.061 1.00 0.00 H new ATOM 413 N TYR A 25 156.477 -8.329 -0.619 1.00 0.00 N ATOM 414 CA TYR A 25 157.066 -7.095 -1.141 1.00 0.00 C ATOM 415 C TYR A 25 157.021 -7.070 -2.670 1.00 0.00 C ATOM 416 O TYR A 25 156.723 -6.037 -3.270 1.00 0.00 O ATOM 417 CB TYR A 25 158.514 -6.943 -0.662 1.00 0.00 C ATOM 418 CG TYR A 25 159.128 -5.607 -1.019 1.00 0.00 C ATOM 419 CD1 TYR A 25 158.851 -4.473 -0.268 1.00 0.00 C ATOM 420 CD2 TYR A 25 159.975 -5.480 -2.114 1.00 0.00 C ATOM 421 CE1 TYR A 25 159.400 -3.250 -0.595 1.00 0.00 C ATOM 422 CE2 TYR A 25 160.530 -4.260 -2.446 1.00 0.00 C ATOM 423 CZ TYR A 25 160.239 -3.148 -1.686 1.00 0.00 C ATOM 424 OH TYR A 25 160.786 -1.928 -2.016 1.00 0.00 O ATOM 0 H TYR A 25 157.087 -8.854 0.008 1.00 0.00 H new ATOM 0 HA TYR A 25 156.477 -6.260 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 25 158.546 -7.072 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 25 159.118 -7.740 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 25 158.195 -4.549 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 25 160.202 -6.349 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 25 159.174 -2.377 -0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 25 161.189 -4.178 -3.298 1.00 0.00 H new ATOM 0 HH TYR A 25 161.532 -1.730 -1.412 1.00 0.00 H new ATOM 434 N GLU A 26 157.316 -8.215 -3.292 1.00 0.00 N ATOM 435 CA GLU A 26 157.303 -8.324 -4.751 1.00 0.00 C ATOM 436 C GLU A 26 155.911 -8.024 -5.304 1.00 0.00 C ATOM 437 O GLU A 26 155.769 -7.298 -6.288 1.00 0.00 O ATOM 438 CB GLU A 26 157.742 -9.724 -5.192 1.00 0.00 C ATOM 439 CG GLU A 26 158.797 -9.712 -6.289 1.00 0.00 C ATOM 440 CD GLU A 26 158.946 -11.053 -6.985 1.00 0.00 C ATOM 441 OE1 GLU A 26 158.872 -12.094 -6.298 1.00 0.00 O ATOM 442 OE2 GLU A 26 159.139 -11.061 -8.220 1.00 0.00 O ATOM 0 H GLU A 26 157.566 -9.077 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 26 158.005 -7.591 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 26 158.133 -10.262 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 26 156.870 -10.276 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 26 158.537 -8.953 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 159.756 -9.423 -5.859 1.00 0.00 H new ATOM 449 N ASP A 27 154.888 -8.589 -4.661 1.00 0.00 N ATOM 450 CA ASP A 27 153.507 -8.384 -5.086 1.00 0.00 C ATOM 451 C ASP A 27 153.107 -6.912 -4.980 1.00 0.00 C ATOM 452 O ASP A 27 152.478 -6.369 -5.888 1.00 0.00 O ATOM 453 CB ASP A 27 152.555 -9.248 -4.252 1.00 0.00 C ATOM 454 CG ASP A 27 151.131 -9.211 -4.773 1.00 0.00 C ATOM 455 OD1 ASP A 27 150.889 -9.736 -5.880 1.00 0.00 O ATOM 456 OD2 ASP A 27 150.258 -8.652 -4.076 1.00 0.00 O ATOM 0 H ASP A 27 154.992 -9.192 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 27 153.434 -8.683 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 27 152.911 -10.278 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 27 152.569 -8.904 -3.218 1.00 0.00 H new ATOM 461 N VAL A 28 153.473 -6.273 -3.869 1.00 0.00 N ATOM 462 CA VAL A 28 153.143 -4.864 -3.660 1.00 0.00 C ATOM 463 C VAL A 28 153.895 -3.972 -4.643 1.00 0.00 C ATOM 464 O VAL A 28 153.298 -3.105 -5.283 1.00 0.00 O ATOM 465 CB VAL A 28 153.453 -4.403 -2.219 1.00 0.00 C ATOM 466 CG1 VAL A 28 152.930 -2.991 -1.987 1.00 0.00 C ATOM 467 CG2 VAL A 28 152.862 -5.371 -1.204 1.00 0.00 C ATOM 0 H VAL A 28 153.994 -6.705 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 28 152.070 -4.770 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 28 154.535 -4.394 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 28 153.157 -2.682 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 28 153.407 -2.306 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 28 151.851 -2.973 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 28 153.093 -5.027 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 28 151.781 -5.418 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 28 153.289 -6.362 -1.355 1.00 0.00 H new ATOM 477 N GLU A 29 155.204 -4.192 -4.764 1.00 0.00 N ATOM 478 CA GLU A 29 156.028 -3.406 -5.678 1.00 0.00 C ATOM 479 C GLU A 29 155.509 -3.519 -7.110 1.00 0.00 C ATOM 480 O GLU A 29 155.497 -2.535 -7.852 1.00 0.00 O ATOM 481 CB GLU A 29 157.490 -3.856 -5.608 1.00 0.00 C ATOM 482 CG GLU A 29 158.478 -2.707 -5.746 1.00 0.00 C ATOM 483 CD GLU A 29 159.911 -3.174 -5.919 1.00 0.00 C ATOM 484 OE1 GLU A 29 160.170 -3.977 -6.841 1.00 0.00 O ATOM 485 OE2 GLU A 29 160.775 -2.730 -5.135 1.00 0.00 O ATOM 0 H GLU A 29 155.714 -4.905 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 29 155.970 -2.362 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 29 157.662 -4.363 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 29 157.677 -4.585 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 29 158.196 -2.094 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 29 158.413 -2.071 -4.863 1.00 0.00 H new ATOM 492 N HIS A 30 155.071 -4.720 -7.490 1.00 0.00 N ATOM 493 CA HIS A 30 154.540 -4.956 -8.831 1.00 0.00 C ATOM 494 C HIS A 30 153.339 -4.052 -9.107 1.00 0.00 C ATOM 495 O HIS A 30 153.246 -3.440 -10.171 1.00 0.00 O ATOM 496 CB HIS A 30 154.133 -6.423 -8.999 1.00 0.00 C ATOM 497 CG HIS A 30 154.291 -6.935 -10.399 1.00 0.00 C ATOM 498 ND1 HIS A 30 153.222 -7.239 -11.217 1.00 0.00 N ATOM 499 CD2 HIS A 30 155.404 -7.200 -11.125 1.00 0.00 C ATOM 500 CE1 HIS A 30 153.671 -7.670 -12.383 1.00 0.00 C ATOM 501 NE2 HIS A 30 154.990 -7.654 -12.353 1.00 0.00 N ATOM 0 H HIS A 30 155.074 -5.543 -6.888 1.00 0.00 H new ATOM 0 HA HIS A 30 155.327 -4.722 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 30 154.733 -7.037 -8.327 1.00 0.00 H new ATOM 0 HB3 HIS A 30 153.093 -6.540 -8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 30 156.426 -7.077 -10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 30 153.062 -7.982 -13.218 1.00 0.00 H new ATOM 0 HE2 HIS A 30 155.603 -7.934 -13.119 1.00 0.00 H new ATOM 510 N LYS A 31 152.425 -3.972 -8.139 1.00 0.00 N ATOM 511 CA LYS A 31 151.231 -3.139 -8.278 1.00 0.00 C ATOM 512 C LYS A 31 151.608 -1.670 -8.457 1.00 0.00 C ATOM 513 O LYS A 31 151.097 -0.998 -9.351 1.00 0.00 O ATOM 514 CB LYS A 31 150.315 -3.292 -7.057 1.00 0.00 C ATOM 515 CG LYS A 31 149.402 -4.508 -7.116 1.00 0.00 C ATOM 516 CD LYS A 31 147.933 -4.106 -7.112 1.00 0.00 C ATOM 517 CE LYS A 31 147.040 -5.249 -6.651 1.00 0.00 C ATOM 518 NZ LYS A 31 145.789 -5.342 -7.456 1.00 0.00 N ATOM 0 H LYS A 31 152.489 -4.473 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 31 150.696 -3.475 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 31 150.931 -3.356 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 31 149.703 -2.395 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 31 149.620 -5.084 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 31 149.605 -5.158 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 31 147.792 -3.247 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 147.638 -3.794 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 31 147.588 -6.189 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 31 146.785 -5.109 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 145.211 -6.133 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 145.252 -4.456 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 146.030 -5.502 -8.455 1.00 0.00 H new ATOM 532 N VAL A 32 152.507 -1.177 -7.604 1.00 0.00 N ATOM 533 CA VAL A 32 152.945 0.215 -7.683 1.00 0.00 C ATOM 534 C VAL A 32 153.563 0.514 -9.048 1.00 0.00 C ATOM 535 O VAL A 32 153.243 1.524 -9.676 1.00 0.00 O ATOM 536 CB VAL A 32 153.967 0.561 -6.579 1.00 0.00 C ATOM 537 CG1 VAL A 32 154.319 2.042 -6.616 1.00 0.00 C ATOM 538 CG2 VAL A 32 153.434 0.168 -5.208 1.00 0.00 C ATOM 0 H VAL A 32 152.943 -1.717 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 32 152.058 0.831 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 32 154.876 -0.010 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 32 155.041 2.264 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 32 154.751 2.289 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 32 153.418 2.634 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 32 154.170 0.421 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 152.507 0.706 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 32 153.242 -0.905 -5.186 1.00 0.00 H new ATOM 548 N THR A 33 154.447 -0.373 -9.497 1.00 0.00 N ATOM 549 CA THR A 33 155.114 -0.214 -10.785 1.00 0.00 C ATOM 550 C THR A 33 154.106 -0.212 -11.936 1.00 0.00 C ATOM 551 O THR A 33 154.247 0.559 -12.883 1.00 0.00 O ATOM 552 CB THR A 33 156.147 -1.328 -10.990 1.00 0.00 C ATOM 553 OG1 THR A 33 156.995 -1.437 -9.860 1.00 0.00 O ATOM 554 CG2 THR A 33 157.029 -1.122 -12.202 1.00 0.00 C ATOM 0 H THR A 33 154.719 -1.212 -8.985 1.00 0.00 H new ATOM 0 HA THR A 33 155.624 0.749 -10.781 1.00 0.00 H new ATOM 0 HB THR A 33 155.561 -2.235 -11.140 1.00 0.00 H new ATOM 0 HG1 THR A 33 156.520 -1.899 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 33 157.735 -1.949 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 33 156.411 -1.083 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 33 157.577 -0.186 -12.098 1.00 0.00 H new ATOM 562 N THR A 34 153.095 -1.080 -11.854 1.00 0.00 N ATOM 563 CA THR A 34 152.073 -1.167 -12.898 1.00 0.00 C ATOM 564 C THR A 34 151.141 0.046 -12.883 1.00 0.00 C ATOM 565 O THR A 34 150.846 0.616 -13.933 1.00 0.00 O ATOM 566 CB THR A 34 151.257 -2.458 -12.756 1.00 0.00 C ATOM 567 OG1 THR A 34 152.106 -3.593 -12.769 1.00 0.00 O ATOM 568 CG2 THR A 34 150.233 -2.643 -13.858 1.00 0.00 C ATOM 0 H THR A 34 152.963 -1.730 -11.079 1.00 0.00 H new ATOM 0 HA THR A 34 152.593 -1.180 -13.856 1.00 0.00 H new ATOM 0 HB THR A 34 150.734 -2.365 -11.804 1.00 0.00 H new ATOM 0 HG1 THR A 34 152.562 -3.670 -11.905 1.00 0.00 H new ATOM 0 HG21 THR A 34 149.691 -3.575 -13.698 1.00 0.00 H new ATOM 0 HG22 THR A 34 149.532 -1.808 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 34 150.739 -2.679 -14.823 1.00 0.00 H new ATOM 576 N VAL A 35 150.669 0.430 -11.696 1.00 0.00 N ATOM 577 CA VAL A 35 149.758 1.570 -11.574 1.00 0.00 C ATOM 578 C VAL A 35 150.423 2.870 -12.029 1.00 0.00 C ATOM 579 O VAL A 35 149.852 3.618 -12.824 1.00 0.00 O ATOM 580 CB VAL A 35 149.242 1.750 -10.127 1.00 0.00 C ATOM 581 CG1 VAL A 35 148.245 2.899 -10.053 1.00 0.00 C ATOM 582 CG2 VAL A 35 148.614 0.462 -9.608 1.00 0.00 C ATOM 0 H VAL A 35 150.899 -0.026 -10.813 1.00 0.00 H new ATOM 0 HA VAL A 35 148.911 1.350 -12.224 1.00 0.00 H new ATOM 0 HB VAL A 35 150.094 1.991 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.893 3.010 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 35 148.729 3.822 -10.373 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.398 2.689 -10.706 1.00 0.00 H new ATOM 0 HG21 VAL A 35 148.259 0.615 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 147.775 0.183 -10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 35 149.358 -0.335 -9.617 1.00 0.00 H new ATOM 592 N PHE A 36 151.623 3.142 -11.513 1.00 0.00 N ATOM 593 CA PHE A 36 152.347 4.366 -11.865 1.00 0.00 C ATOM 594 C PHE A 36 153.137 4.226 -13.170 1.00 0.00 C ATOM 595 O PHE A 36 153.505 5.232 -13.778 1.00 0.00 O ATOM 596 CB PHE A 36 153.292 4.772 -10.730 1.00 0.00 C ATOM 597 CG PHE A 36 152.573 5.158 -9.469 1.00 0.00 C ATOM 598 CD1 PHE A 36 151.923 6.378 -9.372 1.00 0.00 C ATOM 599 CD2 PHE A 36 152.546 4.300 -8.382 1.00 0.00 C ATOM 600 CE1 PHE A 36 151.256 6.733 -8.216 1.00 0.00 C ATOM 601 CE2 PHE A 36 151.882 4.650 -7.224 1.00 0.00 C ATOM 602 CZ PHE A 36 151.239 5.868 -7.140 1.00 0.00 C ATOM 0 H PHE A 36 152.112 2.536 -10.854 1.00 0.00 H new ATOM 0 HA PHE A 36 151.598 5.143 -12.017 1.00 0.00 H new ATOM 0 HB2 PHE A 36 153.968 3.944 -10.516 1.00 0.00 H new ATOM 0 HB3 PHE A 36 153.907 5.609 -11.060 1.00 0.00 H new ATOM 0 HD1 PHE A 36 151.938 7.059 -10.210 1.00 0.00 H new ATOM 0 HD2 PHE A 36 153.050 3.347 -8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 36 150.749 7.685 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 36 151.866 3.971 -6.384 1.00 0.00 H new ATOM 0 HZ PHE A 36 150.723 6.145 -6.233 1.00 0.00 H new ATOM 612 N GLY A 37 153.407 2.989 -13.594 1.00 0.00 N ATOM 613 CA GLY A 37 154.162 2.776 -14.821 1.00 0.00 C ATOM 614 C GLY A 37 155.650 2.556 -14.573 1.00 0.00 C ATOM 615 O GLY A 37 156.345 1.997 -15.424 1.00 0.00 O ATOM 0 H GLY A 37 153.118 2.137 -13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 37 153.755 1.912 -15.346 1.00 0.00 H new ATOM 0 HA3 GLY A 37 154.032 3.638 -15.476 1.00 0.00 H new ATOM 619 N GLN A 38 156.137 2.988 -13.406 1.00 0.00 N ATOM 620 CA GLN A 38 157.545 2.828 -13.047 1.00 0.00 C ATOM 621 C GLN A 38 157.674 2.323 -11.611 1.00 0.00 C ATOM 622 O GLN A 38 156.850 2.652 -10.757 1.00 0.00 O ATOM 623 CB GLN A 38 158.290 4.159 -13.194 1.00 0.00 C ATOM 624 CG GLN A 38 158.905 4.373 -14.569 1.00 0.00 C ATOM 625 CD GLN A 38 159.367 5.803 -14.784 1.00 0.00 C ATOM 626 OE1 GLN A 38 158.902 6.488 -15.695 1.00 0.00 O ATOM 627 NE2 GLN A 38 160.287 6.261 -13.942 1.00 0.00 N ATOM 0 H GLN A 38 155.573 3.452 -12.694 1.00 0.00 H new ATOM 0 HA GLN A 38 157.988 2.097 -13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 38 157.599 4.976 -12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 38 159.078 4.208 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 38 159.752 3.699 -14.693 1.00 0.00 H new ATOM 0 HG3 GLN A 38 158.175 4.112 -15.335 1.00 0.00 H new ATOM 0 HE21 GLN A 38 160.645 5.659 -13.201 1.00 0.00 H new ATOM 0 HE22 GLN A 38 160.635 7.215 -14.037 1.00 0.00 H new ATOM 636 N PRO A 39 158.711 1.516 -11.322 1.00 0.00 N ATOM 637 CA PRO A 39 158.933 0.974 -9.980 1.00 0.00 C ATOM 638 C PRO A 39 159.431 2.036 -9.002 1.00 0.00 C ATOM 639 O PRO A 39 160.619 2.367 -8.981 1.00 0.00 O ATOM 640 CB PRO A 39 159.998 -0.103 -10.202 1.00 0.00 C ATOM 641 CG PRO A 39 160.738 0.334 -11.419 1.00 0.00 C ATOM 642 CD PRO A 39 159.745 1.071 -12.279 1.00 0.00 C ATOM 0 HA PRO A 39 158.014 0.592 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 39 160.664 -0.183 -9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 39 159.544 -1.083 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 39 161.576 0.979 -11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 39 161.152 -0.523 -11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 39 160.207 1.916 -12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 39 159.325 0.424 -13.049 1.00 0.00 H new ATOM 650 N LEU A 40 158.515 2.573 -8.195 1.00 0.00 N ATOM 651 CA LEU A 40 158.869 3.599 -7.217 1.00 0.00 C ATOM 652 C LEU A 40 159.313 2.969 -5.898 1.00 0.00 C ATOM 653 O LEU A 40 158.963 1.827 -5.592 1.00 0.00 O ATOM 654 CB LEU A 40 157.690 4.550 -6.979 1.00 0.00 C ATOM 655 CG LEU A 40 157.540 5.666 -8.018 1.00 0.00 C ATOM 656 CD1 LEU A 40 156.578 5.249 -9.121 1.00 0.00 C ATOM 657 CD2 LEU A 40 157.069 6.955 -7.359 1.00 0.00 C ATOM 0 H LEU A 40 157.528 2.315 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 40 159.704 4.172 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 40 156.770 3.966 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 40 157.801 5.003 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 40 158.517 5.846 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 40 156.486 6.056 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 40 156.958 4.356 -9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 40 155.600 5.036 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 40 156.969 7.734 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 40 156.104 6.788 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 157.796 7.267 -6.610 1.00 0.00 H new ATOM 669 N ASP A 41 160.092 3.724 -5.123 1.00 0.00 N ATOM 670 CA ASP A 41 160.596 3.252 -3.836 1.00 0.00 C ATOM 671 C ASP A 41 159.643 3.628 -2.705 1.00 0.00 C ATOM 672 O ASP A 41 159.087 4.728 -2.694 1.00 0.00 O ATOM 673 CB ASP A 41 161.984 3.842 -3.567 1.00 0.00 C ATOM 674 CG ASP A 41 162.850 2.949 -2.693 1.00 0.00 C ATOM 675 OD1 ASP A 41 162.794 1.712 -2.857 1.00 0.00 O ATOM 676 OD2 ASP A 41 163.588 3.490 -1.846 1.00 0.00 O ATOM 0 H ASP A 41 160.388 4.669 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 41 160.668 2.165 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 41 162.491 4.013 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 41 161.873 4.814 -3.086 1.00 0.00 H new ATOM 681 N LEU A 42 159.458 2.712 -1.755 1.00 0.00 N ATOM 682 CA LEU A 42 158.569 2.954 -0.620 1.00 0.00 C ATOM 683 C LEU A 42 159.336 3.553 0.558 1.00 0.00 C ATOM 684 O LEU A 42 160.112 2.859 1.223 1.00 0.00 O ATOM 685 CB LEU A 42 157.882 1.656 -0.181 1.00 0.00 C ATOM 686 CG LEU A 42 157.295 0.807 -1.313 1.00 0.00 C ATOM 687 CD1 LEU A 42 157.924 -0.576 -1.317 1.00 0.00 C ATOM 688 CD2 LEU A 42 155.782 0.707 -1.179 1.00 0.00 C ATOM 0 H LEU A 42 159.911 1.798 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 42 157.809 3.666 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 42 158.604 1.051 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 42 157.081 1.906 0.515 1.00 0.00 H new ATOM 0 HG LEU A 42 157.522 1.293 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 42 157.497 -1.168 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 42 159.000 -0.486 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 42 157.726 -1.068 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 42 155.384 0.100 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 42 155.531 0.244 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 42 155.346 1.705 -1.224 1.00 0.00 H new ATOM 700 N HIS A 43 159.114 4.842 0.813 1.00 0.00 N ATOM 701 CA HIS A 43 159.780 5.533 1.912 1.00 0.00 C ATOM 702 C HIS A 43 158.812 5.786 3.066 1.00 0.00 C ATOM 703 O HIS A 43 157.856 6.552 2.930 1.00 0.00 O ATOM 704 CB HIS A 43 160.374 6.858 1.428 1.00 0.00 C ATOM 705 CG HIS A 43 161.836 6.994 1.716 1.00 0.00 C ATOM 706 ND1 HIS A 43 162.328 7.359 2.951 1.00 0.00 N ATOM 707 CD2 HIS A 43 162.917 6.808 0.922 1.00 0.00 C ATOM 708 CE1 HIS A 43 163.648 7.394 2.904 1.00 0.00 C ATOM 709 NE2 HIS A 43 164.030 7.064 1.685 1.00 0.00 N ATOM 0 H HIS A 43 158.477 5.427 0.272 1.00 0.00 H new ATOM 0 HA HIS A 43 160.586 4.893 2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 43 160.213 6.949 0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 43 159.840 7.682 1.901 1.00 0.00 H new ATOM 0 HD1 HIS A 43 161.761 7.569 3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 43 162.906 6.513 -0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 43 164.303 7.649 3.724 1.00 0.00 H new ATOM 718 N TYR A 44 159.067 5.136 4.199 1.00 0.00 N ATOM 719 CA TYR A 44 158.223 5.285 5.379 1.00 0.00 C ATOM 720 C TYR A 44 158.735 6.399 6.287 1.00 0.00 C ATOM 721 O TYR A 44 159.914 6.425 6.648 1.00 0.00 O ATOM 722 CB TYR A 44 158.165 3.971 6.158 1.00 0.00 C ATOM 723 CG TYR A 44 156.787 3.646 6.680 1.00 0.00 C ATOM 724 CD1 TYR A 44 156.342 4.166 7.887 1.00 0.00 C ATOM 725 CD2 TYR A 44 155.929 2.827 5.960 1.00 0.00 C ATOM 726 CE1 TYR A 44 155.081 3.875 8.366 1.00 0.00 C ATOM 727 CE2 TYR A 44 154.664 2.531 6.431 1.00 0.00 C ATOM 728 CZ TYR A 44 154.245 3.059 7.634 1.00 0.00 C ATOM 729 OH TYR A 44 152.987 2.770 8.108 1.00 0.00 O ATOM 0 H TYR A 44 159.854 4.499 4.324 1.00 0.00 H new ATOM 0 HA TYR A 44 157.221 5.550 5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 44 158.502 3.159 5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 44 158.860 4.023 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 44 156.993 4.809 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 44 156.255 2.414 5.017 1.00 0.00 H new ATOM 0 HE1 TYR A 44 154.751 4.284 9.309 1.00 0.00 H new ATOM 0 HE2 TYR A 44 154.008 1.890 5.861 1.00 0.00 H new ATOM 0 HH TYR A 44 152.661 3.520 8.648 1.00 0.00 H new ATOM 739 N MET A 45 157.841 7.311 6.665 1.00 0.00 N ATOM 740 CA MET A 45 158.204 8.420 7.543 1.00 0.00 C ATOM 741 C MET A 45 157.292 8.460 8.768 1.00 0.00 C ATOM 742 O MET A 45 156.076 8.622 8.648 1.00 0.00 O ATOM 743 CB MET A 45 158.150 9.756 6.792 1.00 0.00 C ATOM 744 CG MET A 45 156.775 10.114 6.247 1.00 0.00 C ATOM 745 SD MET A 45 155.966 11.416 7.198 1.00 0.00 S ATOM 746 CE MET A 45 157.205 12.709 7.130 1.00 0.00 C ATOM 0 H MET A 45 156.862 7.303 6.377 1.00 0.00 H new ATOM 0 HA MET A 45 159.228 8.260 7.879 1.00 0.00 H new ATOM 0 HB2 MET A 45 158.480 10.550 7.462 1.00 0.00 H new ATOM 0 HB3 MET A 45 158.858 9.723 5.964 1.00 0.00 H new ATOM 0 HG2 MET A 45 156.872 10.434 5.210 1.00 0.00 H new ATOM 0 HG3 MET A 45 156.145 9.224 6.248 1.00 0.00 H new ATOM 0 HE1 MET A 45 156.714 13.681 7.081 1.00 0.00 H new ATOM 0 HE2 MET A 45 157.829 12.662 8.023 1.00 0.00 H new ATOM 0 HE3 MET A 45 157.827 12.571 6.245 1.00 0.00 H new ATOM 756 N ASN A 46 157.891 8.300 9.945 1.00 0.00 N ATOM 757 CA ASN A 46 157.140 8.307 11.199 1.00 0.00 C ATOM 758 C ASN A 46 157.014 9.726 11.756 1.00 0.00 C ATOM 759 O ASN A 46 155.934 10.317 11.726 1.00 0.00 O ATOM 760 CB ASN A 46 157.817 7.387 12.220 1.00 0.00 C ATOM 761 CG ASN A 46 157.052 6.094 12.437 1.00 0.00 C ATOM 762 OD1 ASN A 46 155.830 6.049 12.295 1.00 0.00 O ATOM 763 ND2 ASN A 46 157.769 5.029 12.782 1.00 0.00 N ATOM 0 H ASN A 46 158.896 8.164 10.058 1.00 0.00 H new ATOM 0 HA ASN A 46 156.135 7.936 11.000 1.00 0.00 H new ATOM 0 HB2 ASN A 46 158.827 7.155 11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 46 157.912 7.912 13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 46 157.308 4.133 12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 46 158.780 5.108 12.889 1.00 0.00 H new ATOM 770 N ASN A 47 158.125 10.271 12.255 1.00 0.00 N ATOM 771 CA ASN A 47 158.139 11.624 12.807 1.00 0.00 C ATOM 772 C ASN A 47 159.373 12.381 12.326 1.00 0.00 C ATOM 773 O ASN A 47 159.273 13.279 11.490 1.00 0.00 O ATOM 774 CB ASN A 47 158.107 11.585 14.339 1.00 0.00 C ATOM 775 CG ASN A 47 156.699 11.441 14.891 1.00 0.00 C ATOM 776 OD1 ASN A 47 155.745 11.996 14.345 1.00 0.00 O ATOM 777 ND2 ASN A 47 156.561 10.698 15.985 1.00 0.00 N ATOM 0 H ASN A 47 159.026 9.795 12.288 1.00 0.00 H new ATOM 0 HA ASN A 47 157.248 12.145 12.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 158.718 10.753 14.690 1.00 0.00 H new ATOM 0 HB3 ASN A 47 158.555 12.498 14.731 1.00 0.00 H new ATOM 0 HD21 ASN A 47 155.639 10.571 16.402 1.00 0.00 H new ATOM 0 HD22 ASN A 47 157.377 10.255 16.407 1.00 0.00 H new ATOM 784 N GLU A 48 160.537 12.004 12.852 1.00 0.00 N ATOM 785 CA GLU A 48 161.795 12.639 12.468 1.00 0.00 C ATOM 786 C GLU A 48 162.775 11.615 11.883 1.00 0.00 C ATOM 787 O GLU A 48 163.982 11.859 11.832 1.00 0.00 O ATOM 788 CB GLU A 48 162.429 13.342 13.674 1.00 0.00 C ATOM 789 CG GLU A 48 161.510 14.342 14.359 1.00 0.00 C ATOM 790 CD GLU A 48 161.796 14.474 15.842 1.00 0.00 C ATOM 791 OE1 GLU A 48 162.913 14.910 16.196 1.00 0.00 O ATOM 792 OE2 GLU A 48 160.906 14.137 16.650 1.00 0.00 O ATOM 0 H GLU A 48 160.634 11.262 13.545 1.00 0.00 H new ATOM 0 HA GLU A 48 161.575 13.380 11.699 1.00 0.00 H new ATOM 0 HB2 GLU A 48 162.736 12.590 14.400 1.00 0.00 H new ATOM 0 HB3 GLU A 48 163.332 13.858 13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 48 161.620 15.316 13.883 1.00 0.00 H new ATOM 0 HG3 GLU A 48 160.474 14.034 14.218 1.00 0.00 H new ATOM 799 N LEU A 49 162.251 10.467 11.442 1.00 0.00 N ATOM 800 CA LEU A 49 163.082 9.415 10.863 1.00 0.00 C ATOM 801 C LEU A 49 162.496 8.913 9.546 1.00 0.00 C ATOM 802 O LEU A 49 161.276 8.881 9.370 1.00 0.00 O ATOM 803 CB LEU A 49 163.229 8.248 11.843 1.00 0.00 C ATOM 804 CG LEU A 49 161.916 7.586 12.271 1.00 0.00 C ATOM 805 CD1 LEU A 49 162.100 6.083 12.423 1.00 0.00 C ATOM 806 CD2 LEU A 49 161.405 8.201 13.567 1.00 0.00 C ATOM 0 H LEU A 49 161.256 10.246 11.476 1.00 0.00 H new ATOM 0 HA LEU A 49 164.066 9.840 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 49 163.868 7.491 11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 49 163.744 8.606 12.734 1.00 0.00 H new ATOM 0 HG LEU A 49 161.172 7.761 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 49 161.157 5.630 12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 49 162.416 5.657 11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 49 162.859 5.884 13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 49 160.471 7.718 13.856 1.00 0.00 H new ATOM 0 HD22 LEU A 49 162.146 8.059 14.354 1.00 0.00 H new ATOM 0 HD23 LEU A 49 161.232 9.267 13.420 1.00 0.00 H new ATOM 818 N SER A 50 163.375 8.514 8.630 1.00 0.00 N ATOM 819 CA SER A 50 162.952 8.001 7.331 1.00 0.00 C ATOM 820 C SER A 50 163.426 6.563 7.142 1.00 0.00 C ATOM 821 O SER A 50 164.614 6.265 7.290 1.00 0.00 O ATOM 822 CB SER A 50 163.492 8.887 6.203 1.00 0.00 C ATOM 823 OG SER A 50 164.889 9.089 6.331 1.00 0.00 O ATOM 0 H SER A 50 164.386 8.536 8.764 1.00 0.00 H new ATOM 0 HA SER A 50 161.863 8.016 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 50 163.276 8.425 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 50 162.980 9.849 6.217 1.00 0.00 H new ATOM 0 HG SER A 50 165.315 8.255 6.620 1.00 0.00 H new ATOM 829 N ILE A 51 162.491 5.675 6.816 1.00 0.00 N ATOM 830 CA ILE A 51 162.805 4.265 6.608 1.00 0.00 C ATOM 831 C ILE A 51 162.588 3.875 5.146 1.00 0.00 C ATOM 832 O ILE A 51 161.551 4.188 4.558 1.00 0.00 O ATOM 833 CB ILE A 51 161.945 3.354 7.512 1.00 0.00 C ATOM 834 CG1 ILE A 51 161.936 3.874 8.956 1.00 0.00 C ATOM 835 CG2 ILE A 51 162.455 1.921 7.465 1.00 0.00 C ATOM 836 CD1 ILE A 51 160.725 4.720 9.286 1.00 0.00 C ATOM 0 H ILE A 51 161.506 5.908 6.690 1.00 0.00 H new ATOM 0 HA ILE A 51 163.854 4.126 6.871 1.00 0.00 H new ATOM 0 HB ILE A 51 160.922 3.369 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 51 161.974 3.026 9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 51 162.838 4.462 9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 51 161.837 1.294 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 51 162.406 1.551 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 51 163.488 1.891 7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 51 160.785 5.053 10.322 1.00 0.00 H new ATOM 0 HD12 ILE A 51 160.697 5.588 8.627 1.00 0.00 H new ATOM 0 HD13 ILE A 51 159.820 4.129 9.147 1.00 0.00 H new ATOM 848 N LEU A 52 163.576 3.200 4.565 1.00 0.00 N ATOM 849 CA LEU A 52 163.504 2.775 3.170 1.00 0.00 C ATOM 850 C LEU A 52 163.287 1.266 3.061 1.00 0.00 C ATOM 851 O LEU A 52 164.098 0.478 3.548 1.00 0.00 O ATOM 852 CB LEU A 52 164.789 3.170 2.438 1.00 0.00 C ATOM 853 CG LEU A 52 164.686 3.196 0.912 1.00 0.00 C ATOM 854 CD1 LEU A 52 165.551 4.308 0.337 1.00 0.00 C ATOM 855 CD2 LEU A 52 165.082 1.848 0.322 1.00 0.00 C ATOM 0 H LEU A 52 164.439 2.935 5.040 1.00 0.00 H new ATOM 0 HA LEU A 52 162.653 3.274 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 52 165.096 4.158 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 52 165.579 2.474 2.721 1.00 0.00 H new ATOM 0 HG LEU A 52 163.649 3.394 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 52 165.465 4.311 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 165.218 5.268 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 52 166.591 4.142 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 52 165.002 1.889 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 52 166.110 1.616 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 52 164.418 1.074 0.706 1.00 0.00 H new ATOM 867 N LEU A 53 162.195 0.872 2.407 1.00 0.00 N ATOM 868 CA LEU A 53 161.879 -0.543 2.222 1.00 0.00 C ATOM 869 C LEU A 53 162.743 -1.146 1.113 1.00 0.00 C ATOM 870 O LEU A 53 162.410 -1.042 -0.068 1.00 0.00 O ATOM 871 CB LEU A 53 160.393 -0.725 1.885 1.00 0.00 C ATOM 872 CG LEU A 53 159.411 -0.341 2.998 1.00 0.00 C ATOM 873 CD1 LEU A 53 157.988 -0.697 2.595 1.00 0.00 C ATOM 874 CD2 LEU A 53 159.781 -1.027 4.305 1.00 0.00 C ATOM 0 H LEU A 53 161.515 1.512 1.997 1.00 0.00 H new ATOM 0 HA LEU A 53 162.093 -1.063 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 53 160.164 -0.130 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 53 160.224 -1.769 1.620 1.00 0.00 H new ATOM 0 HG LEU A 53 159.471 0.737 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 53 157.303 -0.418 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 53 157.722 -0.158 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 53 157.918 -1.770 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 53 159.071 -0.740 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 159.753 -2.108 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 53 160.785 -0.725 4.603 1.00 0.00 H new ATOM 886 N LYS A 54 163.854 -1.771 1.502 1.00 0.00 N ATOM 887 CA LYS A 54 164.767 -2.391 0.540 1.00 0.00 C ATOM 888 C LYS A 54 164.480 -3.887 0.392 1.00 0.00 C ATOM 889 O LYS A 54 164.615 -4.448 -0.697 1.00 0.00 O ATOM 890 CB LYS A 54 166.223 -2.172 0.970 1.00 0.00 C ATOM 891 CG LYS A 54 167.000 -1.226 0.063 1.00 0.00 C ATOM 892 CD LYS A 54 168.276 -1.870 -0.466 1.00 0.00 C ATOM 893 CE LYS A 54 169.479 -1.547 0.414 1.00 0.00 C ATOM 894 NZ LYS A 54 170.478 -0.685 -0.284 1.00 0.00 N ATOM 0 H LYS A 54 164.144 -1.862 2.476 1.00 0.00 H new ATOM 0 HA LYS A 54 164.608 -1.917 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 54 166.236 -1.778 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 54 166.733 -3.135 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 54 166.370 -0.926 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 54 167.252 -0.319 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 54 168.143 -2.951 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 54 168.465 -1.523 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 54 169.139 -1.045 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 54 169.958 -2.475 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 171.277 -0.493 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 170.824 -1.173 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 170.030 0.213 -0.558 1.00 0.00 H new ATOM 908 N ASN A 55 164.082 -4.527 1.494 1.00 0.00 N ATOM 909 CA ASN A 55 163.774 -5.957 1.491 1.00 0.00 C ATOM 910 C ASN A 55 162.518 -6.245 2.315 1.00 0.00 C ATOM 911 O ASN A 55 161.984 -5.352 2.977 1.00 0.00 O ATOM 912 CB ASN A 55 164.957 -6.759 2.045 1.00 0.00 C ATOM 913 CG ASN A 55 166.089 -6.888 1.042 1.00 0.00 C ATOM 914 OD1 ASN A 55 166.173 -7.872 0.307 1.00 0.00 O ATOM 915 ND2 ASN A 55 166.970 -5.894 1.011 1.00 0.00 N ATOM 0 H ASN A 55 163.966 -4.075 2.401 1.00 0.00 H new ATOM 0 HA ASN A 55 163.590 -6.261 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 55 165.329 -6.276 2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 55 164.615 -7.753 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 55 167.754 -5.928 0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 55 166.862 -5.097 1.638 1.00 0.00 H new ATOM 922 N GLN A 56 162.052 -7.497 2.274 1.00 0.00 N ATOM 923 CA GLN A 56 160.858 -7.899 3.022 1.00 0.00 C ATOM 924 C GLN A 56 161.040 -7.664 4.525 1.00 0.00 C ATOM 925 O GLN A 56 160.086 -7.314 5.221 1.00 0.00 O ATOM 926 CB GLN A 56 160.531 -9.372 2.758 1.00 0.00 C ATOM 927 CG GLN A 56 159.260 -9.851 3.449 1.00 0.00 C ATOM 928 CD GLN A 56 158.078 -9.982 2.503 1.00 0.00 C ATOM 929 OE1 GLN A 56 158.180 -9.685 1.312 1.00 0.00 O ATOM 930 NE2 GLN A 56 156.945 -10.430 3.032 1.00 0.00 N ATOM 0 H GLN A 56 162.482 -8.247 1.733 1.00 0.00 H new ATOM 0 HA GLN A 56 160.027 -7.283 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 56 160.430 -9.526 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 56 161.368 -9.986 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 56 159.451 -10.816 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 56 159.003 -9.154 4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 56 156.903 -10.665 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 56 156.117 -10.539 2.447 1.00 0.00 H new ATOM 939 N ASP A 57 162.270 -7.853 5.014 1.00 0.00 N ATOM 940 CA ASP A 57 162.579 -7.653 6.432 1.00 0.00 C ATOM 941 C ASP A 57 162.145 -6.262 6.889 1.00 0.00 C ATOM 942 O ASP A 57 161.601 -6.096 7.981 1.00 0.00 O ATOM 943 CB ASP A 57 164.080 -7.832 6.684 1.00 0.00 C ATOM 944 CG ASP A 57 164.464 -9.272 6.972 1.00 0.00 C ATOM 945 OD1 ASP A 57 163.817 -9.901 7.836 1.00 0.00 O ATOM 946 OD2 ASP A 57 165.415 -9.770 6.334 1.00 0.00 O ATOM 0 H ASP A 57 163.067 -8.144 4.448 1.00 0.00 H new ATOM 0 HA ASP A 57 162.029 -8.400 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 57 164.634 -7.481 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 57 164.379 -7.207 7.525 1.00 0.00 H new ATOM 951 N ASP A 58 162.387 -5.267 6.038 1.00 0.00 N ATOM 952 CA ASP A 58 162.021 -3.886 6.339 1.00 0.00 C ATOM 953 C ASP A 58 160.505 -3.735 6.461 1.00 0.00 C ATOM 954 O ASP A 58 160.013 -3.018 7.333 1.00 0.00 O ATOM 955 CB ASP A 58 162.556 -2.948 5.256 1.00 0.00 C ATOM 956 CG ASP A 58 163.176 -1.697 5.840 1.00 0.00 C ATOM 957 OD1 ASP A 58 162.419 -0.830 6.321 1.00 0.00 O ATOM 958 OD2 ASP A 58 164.419 -1.587 5.824 1.00 0.00 O ATOM 0 H ASP A 58 162.837 -5.393 5.131 1.00 0.00 H new ATOM 0 HA ASP A 58 162.470 -3.618 7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 58 163.299 -3.474 4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 58 161.744 -2.670 4.585 1.00 0.00 H new ATOM 963 N LEU A 59 159.771 -4.421 5.586 1.00 0.00 N ATOM 964 CA LEU A 59 158.311 -4.372 5.599 1.00 0.00 C ATOM 965 C LEU A 59 157.756 -4.991 6.883 1.00 0.00 C ATOM 966 O LEU A 59 156.837 -4.447 7.497 1.00 0.00 O ATOM 967 CB LEU A 59 157.747 -5.104 4.377 1.00 0.00 C ATOM 968 CG LEU A 59 156.218 -5.168 4.303 1.00 0.00 C ATOM 969 CD1 LEU A 59 155.662 -3.929 3.617 1.00 0.00 C ATOM 970 CD2 LEU A 59 155.771 -6.432 3.582 1.00 0.00 C ATOM 0 H LEU A 59 160.165 -5.018 4.859 1.00 0.00 H new ATOM 0 HA LEU A 59 158.005 -3.327 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 59 158.118 -4.614 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 59 158.138 -6.121 4.370 1.00 0.00 H new ATOM 0 HG LEU A 59 155.825 -5.198 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 59 154.575 -3.994 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 59 155.951 -3.041 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 59 156.061 -3.863 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 59 154.682 -6.461 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 59 156.174 -6.435 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 59 156.136 -7.307 4.121 1.00 0.00 H new ATOM 982 N ASP A 60 158.327 -6.129 7.281 1.00 0.00 N ATOM 983 CA ASP A 60 157.898 -6.829 8.492 1.00 0.00 C ATOM 984 C ASP A 60 158.112 -5.956 9.728 1.00 0.00 C ATOM 985 O ASP A 60 157.259 -5.902 10.615 1.00 0.00 O ATOM 986 CB ASP A 60 158.658 -8.153 8.641 1.00 0.00 C ATOM 987 CG ASP A 60 157.939 -9.317 7.983 1.00 0.00 C ATOM 988 OD1 ASP A 60 157.502 -9.170 6.820 1.00 0.00 O ATOM 989 OD2 ASP A 60 157.816 -10.379 8.629 1.00 0.00 O ATOM 0 H ASP A 60 159.089 -6.586 6.781 1.00 0.00 H new ATOM 0 HA ASP A 60 156.833 -7.043 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 60 159.650 -8.049 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 60 158.799 -8.370 9.700 1.00 0.00 H new ATOM 994 N LYS A 61 159.252 -5.266 9.774 1.00 0.00 N ATOM 995 CA LYS A 61 159.571 -4.387 10.896 1.00 0.00 C ATOM 996 C LYS A 61 158.595 -3.210 10.964 1.00 0.00 C ATOM 997 O LYS A 61 158.219 -2.770 12.051 1.00 0.00 O ATOM 998 CB LYS A 61 161.007 -3.866 10.780 1.00 0.00 C ATOM 999 CG LYS A 61 161.747 -3.839 12.107 1.00 0.00 C ATOM 1000 CD LYS A 61 163.091 -3.135 11.987 1.00 0.00 C ATOM 1001 CE LYS A 61 164.177 -4.083 11.500 1.00 0.00 C ATOM 1002 NZ LYS A 61 165.489 -3.811 12.152 1.00 0.00 N ATOM 0 H LYS A 61 159.968 -5.300 9.048 1.00 0.00 H new ATOM 0 HA LYS A 61 159.478 -4.969 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 61 161.557 -4.492 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 61 160.988 -2.859 10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 61 161.136 -3.332 12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 61 161.901 -4.859 12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 61 163.003 -2.296 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 61 163.374 -2.723 12.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 163.878 -5.111 11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 61 164.283 -3.989 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 166.201 -4.479 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 165.788 -2.838 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 165.396 -3.926 13.181 1.00 0.00 H new ATOM 1016 N ALA A 62 158.190 -2.706 9.796 1.00 0.00 N ATOM 1017 CA ALA A 62 157.261 -1.579 9.722 1.00 0.00 C ATOM 1018 C ALA A 62 155.908 -1.927 10.341 1.00 0.00 C ATOM 1019 O ALA A 62 155.298 -1.100 11.019 1.00 0.00 O ATOM 1020 CB ALA A 62 157.078 -1.134 8.278 1.00 0.00 C ATOM 0 H ALA A 62 158.492 -3.062 8.889 1.00 0.00 H new ATOM 0 HA ALA A 62 157.692 -0.758 10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 62 156.384 -0.295 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 62 158.040 -0.828 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 62 156.679 -1.961 7.690 1.00 0.00 H new ATOM 1026 N ILE A 63 155.447 -3.156 10.110 1.00 0.00 N ATOM 1027 CA ILE A 63 154.169 -3.604 10.656 1.00 0.00 C ATOM 1028 C ILE A 63 154.215 -3.639 12.181 1.00 0.00 C ATOM 1029 O ILE A 63 153.272 -3.210 12.847 1.00 0.00 O ATOM 1030 CB ILE A 63 153.776 -5.004 10.131 1.00 0.00 C ATOM 1031 CG1 ILE A 63 153.799 -5.028 8.600 1.00 0.00 C ATOM 1032 CG2 ILE A 63 152.398 -5.399 10.651 1.00 0.00 C ATOM 1033 CD1 ILE A 63 153.959 -6.415 8.016 1.00 0.00 C ATOM 0 H ILE A 63 155.937 -3.855 9.552 1.00 0.00 H new ATOM 0 HA ILE A 63 153.418 -2.887 10.326 1.00 0.00 H new ATOM 0 HB ILE A 63 154.504 -5.728 10.497 1.00 0.00 H new ATOM 0 HG12 ILE A 63 152.874 -4.590 8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 63 154.616 -4.398 8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 63 152.136 -6.387 10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 63 152.413 -5.420 11.741 1.00 0.00 H new ATOM 0 HG23 ILE A 63 151.659 -4.673 10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 63 153.967 -6.353 6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 63 154.897 -6.849 8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 63 153.128 -7.043 8.338 1.00 0.00 H new ATOM 1045 N ASP A 64 155.319 -4.149 12.726 1.00 0.00 N ATOM 1046 CA ASP A 64 155.490 -4.237 14.174 1.00 0.00 C ATOM 1047 C ASP A 64 155.315 -2.870 14.835 1.00 0.00 C ATOM 1048 O ASP A 64 154.724 -2.765 15.910 1.00 0.00 O ATOM 1049 CB ASP A 64 156.870 -4.808 14.516 1.00 0.00 C ATOM 1050 CG ASP A 64 156.797 -5.914 15.550 1.00 0.00 C ATOM 1051 OD1 ASP A 64 156.522 -7.070 15.164 1.00 0.00 O ATOM 1052 OD2 ASP A 64 157.014 -5.625 16.745 1.00 0.00 O ATOM 0 H ASP A 64 156.107 -4.507 12.186 1.00 0.00 H new ATOM 0 HA ASP A 64 154.721 -4.906 14.560 1.00 0.00 H new ATOM 0 HB2 ASP A 64 157.336 -5.192 13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 64 157.509 -4.008 14.888 1.00 0.00 H new ATOM 1057 N ILE A 65 155.830 -1.826 14.184 1.00 0.00 N ATOM 1058 CA ILE A 65 155.728 -0.466 14.710 1.00 0.00 C ATOM 1059 C ILE A 65 154.279 0.019 14.706 1.00 0.00 C ATOM 1060 O ILE A 65 153.813 0.606 15.684 1.00 0.00 O ATOM 1061 CB ILE A 65 156.594 0.529 13.904 1.00 0.00 C ATOM 1062 CG1 ILE A 65 158.040 0.031 13.800 1.00 0.00 C ATOM 1063 CG2 ILE A 65 156.550 1.910 14.547 1.00 0.00 C ATOM 1064 CD1 ILE A 65 158.821 0.671 12.672 1.00 0.00 C ATOM 0 H ILE A 65 156.321 -1.897 13.293 1.00 0.00 H new ATOM 0 HA ILE A 65 156.097 -0.502 15.735 1.00 0.00 H new ATOM 0 HB ILE A 65 156.186 0.601 12.896 1.00 0.00 H new ATOM 0 HG12 ILE A 65 158.552 0.227 14.742 1.00 0.00 H new ATOM 0 HG13 ILE A 65 158.034 -1.050 13.659 1.00 0.00 H new ATOM 0 HG21 ILE A 65 157.164 2.600 13.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 155.521 2.269 14.567 1.00 0.00 H new ATOM 0 HG23 ILE A 65 156.933 1.849 15.566 1.00 0.00 H new ATOM 0 HD11 ILE A 65 159.835 0.271 12.659 1.00 0.00 H new ATOM 0 HD12 ILE A 65 158.333 0.453 11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 65 158.858 1.750 12.822 1.00 0.00 H new ATOM 1076 N LEU A 66 153.571 -0.228 13.603 1.00 0.00 N ATOM 1077 CA LEU A 66 152.174 0.186 13.481 1.00 0.00 C ATOM 1078 C LEU A 66 151.323 -0.458 14.574 1.00 0.00 C ATOM 1079 O LEU A 66 150.532 0.218 15.233 1.00 0.00 O ATOM 1080 CB LEU A 66 151.621 -0.193 12.104 1.00 0.00 C ATOM 1081 CG LEU A 66 150.460 0.674 11.606 1.00 0.00 C ATOM 1082 CD1 LEU A 66 150.973 1.780 10.697 1.00 0.00 C ATOM 1083 CD2 LEU A 66 149.428 -0.180 10.879 1.00 0.00 C ATOM 0 H LEU A 66 153.941 -0.711 12.784 1.00 0.00 H new ATOM 0 HA LEU A 66 152.132 1.269 13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 66 152.432 -0.139 11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 66 151.290 -1.231 12.136 1.00 0.00 H new ATOM 0 HG LEU A 66 149.979 1.133 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 66 150.135 2.386 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 66 151.673 2.408 11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 151.479 1.340 9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 148.611 0.453 10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 66 149.897 -0.668 10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 66 149.037 -0.937 11.559 1.00 0.00 H new ATOM 1095 N ASP A 67 151.497 -1.769 14.761 1.00 0.00 N ATOM 1096 CA ASP A 67 150.748 -2.512 15.776 1.00 0.00 C ATOM 1097 C ASP A 67 151.100 -2.022 17.181 1.00 0.00 C ATOM 1098 O ASP A 67 150.234 -1.943 18.053 1.00 0.00 O ATOM 1099 CB ASP A 67 151.025 -4.017 15.659 1.00 0.00 C ATOM 1100 CG ASP A 67 150.027 -4.859 16.436 1.00 0.00 C ATOM 1101 OD1 ASP A 67 148.838 -4.477 16.498 1.00 0.00 O ATOM 1102 OD2 ASP A 67 150.437 -5.904 16.984 1.00 0.00 O ATOM 0 H ASP A 67 152.150 -2.337 14.222 1.00 0.00 H new ATOM 0 HA ASP A 67 149.686 -2.336 15.604 1.00 0.00 H new ATOM 0 HB2 ASP A 67 150.998 -4.307 14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 67 152.031 -4.226 16.022 1.00 0.00 H new ATOM 1107 N ARG A 68 152.376 -1.690 17.387 1.00 0.00 N ATOM 1108 CA ARG A 68 152.851 -1.198 18.682 1.00 0.00 C ATOM 1109 C ARG A 68 152.230 0.158 19.020 1.00 0.00 C ATOM 1110 O ARG A 68 151.990 0.464 20.189 1.00 0.00 O ATOM 1111 CB ARG A 68 154.380 -1.073 18.678 1.00 0.00 C ATOM 1112 CG ARG A 68 155.072 -1.904 19.749 1.00 0.00 C ATOM 1113 CD ARG A 68 154.694 -1.453 21.153 1.00 0.00 C ATOM 1114 NE ARG A 68 154.901 -0.018 21.356 1.00 0.00 N ATOM 1115 CZ ARG A 68 154.347 0.681 22.349 1.00 0.00 C ATOM 1116 NH1 ARG A 68 153.579 0.076 23.251 1.00 0.00 N ATOM 1117 NH2 ARG A 68 154.566 1.987 22.449 1.00 0.00 N ATOM 0 H ARG A 68 153.101 -1.753 16.672 1.00 0.00 H new ATOM 0 HA ARG A 68 152.547 -1.919 19.441 1.00 0.00 H new ATOM 0 HB2 ARG A 68 154.756 -1.373 17.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 154.649 -0.026 18.815 1.00 0.00 H new ATOM 0 HG2 ARG A 68 154.807 -2.953 19.621 1.00 0.00 H new ATOM 0 HG3 ARG A 68 156.152 -1.831 19.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 153.648 -1.696 21.340 1.00 0.00 H new ATOM 0 HD3 ARG A 68 155.285 -2.009 21.881 1.00 0.00 H new ATOM 0 HE ARG A 68 155.505 0.477 20.699 1.00 0.00 H new ATOM 0 HH11 ARG A 68 153.410 -0.928 23.186 1.00 0.00 H new ATOM 0 HH12 ARG A 68 153.159 0.616 24.007 1.00 0.00 H new ATOM 0 HH21 ARG A 68 155.159 2.458 21.766 1.00 0.00 H new ATOM 0 HH22 ARG A 68 154.141 2.519 23.209 1.00 0.00 H new ATOM 1131 N SER A 69 151.978 0.970 17.992 1.00 0.00 N ATOM 1132 CA SER A 69 151.390 2.294 18.185 1.00 0.00 C ATOM 1133 C SER A 69 149.954 2.193 18.693 1.00 0.00 C ATOM 1134 O SER A 69 149.166 1.383 18.202 1.00 0.00 O ATOM 1135 CB SER A 69 151.424 3.089 16.879 1.00 0.00 C ATOM 1136 OG SER A 69 150.850 4.376 17.049 1.00 0.00 O ATOM 0 H SER A 69 152.172 0.733 17.019 1.00 0.00 H new ATOM 0 HA SER A 69 151.984 2.814 18.937 1.00 0.00 H new ATOM 0 HB2 SER A 69 152.454 3.189 16.537 1.00 0.00 H new ATOM 0 HB3 SER A 69 150.883 2.545 16.105 1.00 0.00 H new ATOM 0 HG SER A 69 151.378 5.038 16.556 1.00 0.00 H new ATOM 1142 N SER A 70 149.621 3.024 19.678 1.00 0.00 N ATOM 1143 CA SER A 70 148.280 3.035 20.257 1.00 0.00 C ATOM 1144 C SER A 70 147.270 3.705 19.321 1.00 0.00 C ATOM 1145 O SER A 70 146.075 3.414 19.384 1.00 0.00 O ATOM 1146 CB SER A 70 148.290 3.750 21.610 1.00 0.00 C ATOM 1147 OG SER A 70 149.274 3.200 22.469 1.00 0.00 O ATOM 0 H SER A 70 150.263 3.700 20.092 1.00 0.00 H new ATOM 0 HA SER A 70 147.974 1.999 20.400 1.00 0.00 H new ATOM 0 HB2 SER A 70 148.484 4.812 21.462 1.00 0.00 H new ATOM 0 HB3 SER A 70 147.308 3.667 22.076 1.00 0.00 H new ATOM 0 HG SER A 70 149.262 3.675 23.326 1.00 0.00 H new ATOM 1153 N SER A 71 147.755 4.603 18.458 1.00 0.00 N ATOM 1154 CA SER A 71 146.895 5.306 17.520 1.00 0.00 C ATOM 1155 C SER A 71 147.518 5.316 16.123 1.00 0.00 C ATOM 1156 O SER A 71 148.158 6.289 15.719 1.00 0.00 O ATOM 1157 CB SER A 71 146.643 6.737 18.007 1.00 0.00 C ATOM 1158 OG SER A 71 146.088 7.538 16.980 1.00 0.00 O ATOM 0 H SER A 71 148.741 4.856 18.395 1.00 0.00 H new ATOM 0 HA SER A 71 145.940 4.783 17.463 1.00 0.00 H new ATOM 0 HB2 SER A 71 145.968 6.719 18.863 1.00 0.00 H new ATOM 0 HB3 SER A 71 147.579 7.178 18.349 1.00 0.00 H new ATOM 0 HG SER A 71 145.936 8.445 17.319 1.00 0.00 H new ATOM 1164 N MET A 72 147.324 4.222 15.398 1.00 0.00 N ATOM 1165 CA MET A 72 147.857 4.083 14.046 1.00 0.00 C ATOM 1166 C MET A 72 147.075 3.028 13.266 1.00 0.00 C ATOM 1167 O MET A 72 147.231 1.829 13.502 1.00 0.00 O ATOM 1168 CB MET A 72 149.342 3.709 14.102 1.00 0.00 C ATOM 1169 CG MET A 72 150.120 4.113 12.862 1.00 0.00 C ATOM 1170 SD MET A 72 150.091 5.893 12.572 1.00 0.00 S ATOM 1171 CE MET A 72 151.030 6.484 13.978 1.00 0.00 C ATOM 0 H MET A 72 146.798 3.412 15.725 1.00 0.00 H new ATOM 0 HA MET A 72 147.752 5.038 13.532 1.00 0.00 H new ATOM 0 HB2 MET A 72 149.794 4.182 14.974 1.00 0.00 H new ATOM 0 HB3 MET A 72 149.431 2.632 14.241 1.00 0.00 H new ATOM 0 HG2 MET A 72 151.154 3.782 12.963 1.00 0.00 H new ATOM 0 HG3 MET A 72 149.704 3.601 11.994 1.00 0.00 H new ATOM 0 HE1 MET A 72 151.795 7.182 13.637 1.00 0.00 H new ATOM 0 HE2 MET A 72 150.362 6.990 14.675 1.00 0.00 H new ATOM 0 HE3 MET A 72 151.506 5.640 14.478 1.00 0.00 H new ATOM 1181 N LYS A 73 146.230 3.481 12.340 1.00 0.00 N ATOM 1182 CA LYS A 73 145.420 2.572 11.529 1.00 0.00 C ATOM 1183 C LYS A 73 146.001 2.425 10.126 1.00 0.00 C ATOM 1184 O LYS A 73 146.410 1.334 9.726 1.00 0.00 O ATOM 1185 CB LYS A 73 143.970 3.067 11.441 1.00 0.00 C ATOM 1186 CG LYS A 73 143.335 3.356 12.791 1.00 0.00 C ATOM 1187 CD LYS A 73 142.721 2.105 13.398 1.00 0.00 C ATOM 1188 CE LYS A 73 142.376 2.314 14.864 1.00 0.00 C ATOM 1189 NZ LYS A 73 141.516 1.222 15.401 1.00 0.00 N ATOM 0 H LYS A 73 146.089 4.470 12.133 1.00 0.00 H new ATOM 0 HA LYS A 73 145.432 1.597 12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 73 143.942 3.973 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 73 143.372 2.318 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 73 144.087 3.759 13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 73 142.567 4.121 12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 73 141.821 1.834 12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 73 143.417 1.272 13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 73 143.295 2.371 15.447 1.00 0.00 H new ATOM 0 HE3 LYS A 73 141.864 3.269 14.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 141.306 1.406 16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 140.627 1.184 14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 142.014 0.313 15.313 1.00 0.00 H new ATOM 1203 N SER A 74 146.033 3.529 9.383 1.00 0.00 N ATOM 1204 CA SER A 74 146.560 3.525 8.022 1.00 0.00 C ATOM 1205 C SER A 74 148.086 3.627 8.020 1.00 0.00 C ATOM 1206 O SER A 74 148.688 4.090 8.990 1.00 0.00 O ATOM 1207 CB SER A 74 145.953 4.681 7.224 1.00 0.00 C ATOM 1208 OG SER A 74 146.401 4.670 5.879 1.00 0.00 O ATOM 0 H SER A 74 145.699 4.439 9.702 1.00 0.00 H new ATOM 0 HA SER A 74 146.285 2.580 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 74 144.866 4.611 7.248 1.00 0.00 H new ATOM 0 HB3 SER A 74 146.221 5.629 7.691 1.00 0.00 H new ATOM 0 HG SER A 74 145.632 4.577 5.279 1.00 0.00 H new ATOM 1214 N LEU A 75 148.703 3.191 6.923 1.00 0.00 N ATOM 1215 CA LEU A 75 150.156 3.231 6.793 1.00 0.00 C ATOM 1216 C LEU A 75 150.599 4.415 5.936 1.00 0.00 C ATOM 1217 O LEU A 75 150.149 4.574 4.799 1.00 0.00 O ATOM 1218 CB LEU A 75 150.671 1.922 6.185 1.00 0.00 C ATOM 1219 CG LEU A 75 150.807 0.757 7.171 1.00 0.00 C ATOM 1220 CD1 LEU A 75 149.448 0.136 7.461 1.00 0.00 C ATOM 1221 CD2 LEU A 75 151.771 -0.288 6.628 1.00 0.00 C ATOM 0 H LEU A 75 148.218 2.806 6.112 1.00 0.00 H new ATOM 0 HA LEU A 75 150.580 3.353 7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 75 149.997 1.622 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 75 151.644 2.109 5.731 1.00 0.00 H new ATOM 0 HG LEU A 75 151.210 1.144 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 75 149.567 -0.689 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 75 148.789 0.889 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 75 149.013 -0.237 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 151.857 -1.109 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 75 151.397 -0.669 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 75 152.751 0.165 6.477 1.00 0.00 H new ATOM 1233 N ARG A 76 151.485 5.243 6.490 1.00 0.00 N ATOM 1234 CA ARG A 76 151.995 6.413 5.780 1.00 0.00 C ATOM 1235 C ARG A 76 153.241 6.053 4.973 1.00 0.00 C ATOM 1236 O ARG A 76 154.315 5.831 5.537 1.00 0.00 O ATOM 1237 CB ARG A 76 152.316 7.540 6.769 1.00 0.00 C ATOM 1238 CG ARG A 76 152.151 8.936 6.184 1.00 0.00 C ATOM 1239 CD ARG A 76 152.674 10.006 7.133 1.00 0.00 C ATOM 1240 NE ARG A 76 151.636 10.967 7.503 1.00 0.00 N ATOM 1241 CZ ARG A 76 150.746 10.767 8.480 1.00 0.00 C ATOM 1242 NH1 ARG A 76 150.765 9.642 9.192 1.00 0.00 N ATOM 1243 NH2 ARG A 76 149.835 11.696 8.746 1.00 0.00 N ATOM 0 H ARG A 76 151.864 5.124 7.429 1.00 0.00 H new ATOM 0 HA ARG A 76 151.223 6.758 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 76 151.668 7.442 7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 76 153.341 7.422 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 76 152.683 8.999 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 76 151.098 9.120 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 76 153.066 9.532 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 76 153.504 10.533 6.663 1.00 0.00 H new ATOM 0 HE ARG A 76 151.588 11.844 6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 76 151.462 8.925 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 76 150.082 9.498 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 76 149.815 12.561 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 76 149.155 11.545 9.491 1.00 0.00 H new ATOM 1257 N ILE A 77 153.090 5.993 3.651 1.00 0.00 N ATOM 1258 CA ILE A 77 154.201 5.658 2.765 1.00 0.00 C ATOM 1259 C ILE A 77 154.326 6.683 1.639 1.00 0.00 C ATOM 1260 O ILE A 77 153.337 7.027 0.988 1.00 0.00 O ATOM 1261 CB ILE A 77 154.031 4.250 2.148 1.00 0.00 C ATOM 1262 CG1 ILE A 77 153.666 3.229 3.232 1.00 0.00 C ATOM 1263 CG2 ILE A 77 155.302 3.826 1.423 1.00 0.00 C ATOM 1264 CD1 ILE A 77 153.461 1.826 2.701 1.00 0.00 C ATOM 0 H ILE A 77 152.208 6.172 3.171 1.00 0.00 H new ATOM 0 HA ILE A 77 155.106 5.669 3.372 1.00 0.00 H new ATOM 0 HB ILE A 77 153.218 4.289 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 77 154.455 3.212 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 77 152.755 3.555 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 77 155.163 2.833 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 77 155.521 4.537 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 77 156.133 3.805 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 77 153.206 1.159 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 77 152.651 1.828 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 77 154.378 1.480 2.225 1.00 0.00 H new ATOM 1276 N LEU A 78 155.547 7.167 1.416 1.00 0.00 N ATOM 1277 CA LEU A 78 155.804 8.151 0.368 1.00 0.00 C ATOM 1278 C LEU A 78 156.425 7.484 -0.855 1.00 0.00 C ATOM 1279 O LEU A 78 157.369 6.700 -0.733 1.00 0.00 O ATOM 1280 CB LEU A 78 156.727 9.259 0.890 1.00 0.00 C ATOM 1281 CG LEU A 78 156.148 10.678 0.832 1.00 0.00 C ATOM 1282 CD1 LEU A 78 155.776 11.051 -0.596 1.00 0.00 C ATOM 1283 CD2 LEU A 78 154.942 10.805 1.753 1.00 0.00 C ATOM 0 H LEU A 78 156.373 6.893 1.948 1.00 0.00 H new ATOM 0 HA LEU A 78 154.852 8.595 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 78 156.989 9.034 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 78 157.653 9.239 0.315 1.00 0.00 H new ATOM 0 HG LEU A 78 156.915 11.372 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 78 155.367 12.061 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 78 156.664 11.008 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 78 155.030 10.351 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 78 154.547 11.819 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 78 154.172 10.098 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 78 155.243 10.589 2.778 1.00 0.00 H new ATOM 1295 N LEU A 79 155.885 7.797 -2.031 1.00 0.00 N ATOM 1296 CA LEU A 79 156.379 7.225 -3.281 1.00 0.00 C ATOM 1297 C LEU A 79 157.418 8.136 -3.932 1.00 0.00 C ATOM 1298 O LEU A 79 157.178 9.331 -4.119 1.00 0.00 O ATOM 1299 CB LEU A 79 155.220 6.986 -4.253 1.00 0.00 C ATOM 1300 CG LEU A 79 154.069 6.143 -3.698 1.00 0.00 C ATOM 1301 CD1 LEU A 79 152.773 6.462 -4.429 1.00 0.00 C ATOM 1302 CD2 LEU A 79 154.395 4.660 -3.803 1.00 0.00 C ATOM 0 H LEU A 79 155.105 8.444 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 79 156.854 6.272 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 79 154.824 7.952 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 79 155.610 6.497 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 79 153.937 6.390 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 79 151.966 5.853 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 152.533 7.517 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 79 152.891 6.244 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 79 153.566 4.076 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 79 154.555 4.396 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 79 155.298 4.445 -3.232 1.00 0.00 H new ATOM 1314 N LEU A 80 158.569 7.562 -4.279 1.00 0.00 N ATOM 1315 CA LEU A 80 159.645 8.316 -4.914 1.00 0.00 C ATOM 1316 C LEU A 80 160.210 7.553 -6.111 1.00 0.00 C ATOM 1317 O LEU A 80 160.430 6.342 -6.041 1.00 0.00 O ATOM 1318 CB LEU A 80 160.755 8.612 -3.900 1.00 0.00 C ATOM 1319 CG LEU A 80 160.396 9.654 -2.834 1.00 0.00 C ATOM 1320 CD1 LEU A 80 161.327 9.538 -1.635 1.00 0.00 C ATOM 1321 CD2 LEU A 80 160.449 11.058 -3.420 1.00 0.00 C ATOM 0 H LEU A 80 158.779 6.575 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 80 159.236 9.260 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 80 161.028 7.682 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 80 161.638 8.955 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 80 159.378 9.461 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 80 161.056 10.286 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 80 161.237 8.543 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 80 162.356 9.702 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 80 160.191 11.784 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 80 161.455 11.261 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 80 159.739 11.136 -4.243 1.00 0.00 H new ATOM 1333 N SER A 81 160.437 8.270 -7.212 1.00 0.00 N ATOM 1334 CA SER A 81 160.972 7.666 -8.432 1.00 0.00 C ATOM 1335 C SER A 81 162.435 7.271 -8.244 1.00 0.00 C ATOM 1336 O SER A 81 163.326 8.122 -8.269 1.00 0.00 O ATOM 1337 CB SER A 81 160.834 8.635 -9.611 1.00 0.00 C ATOM 1338 OG SER A 81 160.389 7.962 -10.776 1.00 0.00 O ATOM 0 H SER A 81 160.258 9.272 -7.284 1.00 0.00 H new ATOM 0 HA SER A 81 160.397 6.765 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 81 160.131 9.427 -9.354 1.00 0.00 H new ATOM 0 HB3 SER A 81 161.794 9.112 -9.808 1.00 0.00 H new ATOM 0 HG SER A 81 160.308 8.603 -11.513 1.00 0.00 H new ATOM 1344 N GLN A 82 162.671 5.975 -8.051 1.00 0.00 N ATOM 1345 CA GLN A 82 164.022 5.460 -7.851 1.00 0.00 C ATOM 1346 C GLN A 82 164.358 4.377 -8.881 1.00 0.00 C ATOM 1347 O GLN A 82 164.898 3.322 -8.541 1.00 0.00 O ATOM 1348 CB GLN A 82 164.164 4.911 -6.428 1.00 0.00 C ATOM 1349 CG GLN A 82 165.604 4.655 -6.012 1.00 0.00 C ATOM 1350 CD GLN A 82 166.286 5.898 -5.472 1.00 0.00 C ATOM 1351 OE1 GLN A 82 166.335 6.117 -4.262 1.00 0.00 O ATOM 1352 NE2 GLN A 82 166.819 6.720 -6.369 1.00 0.00 N ATOM 0 H GLN A 82 161.942 5.262 -8.029 1.00 0.00 H new ATOM 0 HA GLN A 82 164.728 6.279 -7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 82 163.713 5.616 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 82 163.602 3.981 -6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 82 165.625 3.874 -5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 82 166.165 4.281 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 82 166.756 6.500 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 82 167.292 7.571 -6.064 1.00 0.00 H new ATOM 1361 N ASP A 83 164.042 4.652 -10.148 1.00 0.00 N ATOM 1362 CA ASP A 83 164.318 3.710 -11.228 1.00 0.00 C ATOM 1363 C ASP A 83 165.612 4.078 -11.950 1.00 0.00 C ATOM 1364 O ASP A 83 165.708 5.138 -12.573 1.00 0.00 O ATOM 1365 CB ASP A 83 163.151 3.675 -12.224 1.00 0.00 C ATOM 1366 CG ASP A 83 163.387 2.713 -13.376 1.00 0.00 C ATOM 1367 OD1 ASP A 83 164.249 3.007 -14.232 1.00 0.00 O ATOM 1368 OD2 ASP A 83 162.706 1.669 -13.425 1.00 0.00 O ATOM 0 H ASP A 83 163.596 5.519 -10.448 1.00 0.00 H new ATOM 0 HA ASP A 83 164.435 2.719 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP A 83 162.240 3.389 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 83 162.988 4.677 -12.621 1.00 0.00 H new ATOM 1373 N ARG A 84 166.600 3.191 -11.867 1.00 0.00 N ATOM 1374 CA ARG A 84 167.890 3.406 -12.517 1.00 0.00 C ATOM 1375 C ARG A 84 168.378 2.113 -13.182 1.00 0.00 C ATOM 1376 O ARG A 84 169.581 1.857 -13.263 1.00 0.00 O ATOM 1377 CB ARG A 84 168.921 3.914 -11.498 1.00 0.00 C ATOM 1378 CG ARG A 84 169.303 5.375 -11.690 1.00 0.00 C ATOM 1379 CD ARG A 84 170.113 5.579 -12.963 1.00 0.00 C ATOM 1380 NE ARG A 84 169.780 6.837 -13.633 1.00 0.00 N ATOM 1381 CZ ARG A 84 170.531 7.405 -14.582 1.00 0.00 C ATOM 1382 NH1 ARG A 84 171.663 6.831 -14.985 1.00 0.00 N ATOM 1383 NH2 ARG A 84 170.148 8.551 -15.133 1.00 0.00 N ATOM 0 H ARG A 84 166.531 2.312 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 84 167.768 4.163 -13.292 1.00 0.00 H new ATOM 0 HB2 ARG A 84 168.521 3.781 -10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 84 169.819 3.301 -11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 84 168.401 5.985 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 84 169.881 5.717 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 84 171.176 5.568 -12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 84 169.932 4.747 -13.644 1.00 0.00 H new ATOM 0 HE ARG A 84 168.920 7.311 -13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 84 171.964 5.950 -14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 84 172.229 7.273 -15.710 1.00 0.00 H new ATOM 0 HH21 ARG A 84 169.281 8.997 -14.832 1.00 0.00 H new ATOM 0 HH22 ARG A 84 170.720 8.985 -15.857 1.00 0.00 H new ATOM 1397 N ASN A 85 167.425 1.306 -13.659 1.00 0.00 N ATOM 1398 CA ASN A 85 167.735 0.038 -14.319 1.00 0.00 C ATOM 1399 C ASN A 85 166.528 -0.468 -15.111 1.00 0.00 C ATOM 1400 O ASN A 85 165.472 0.168 -15.122 1.00 0.00 O ATOM 1401 CB ASN A 85 168.161 -1.010 -13.283 1.00 0.00 C ATOM 1402 CG ASN A 85 167.092 -1.264 -12.234 1.00 0.00 C ATOM 1403 OD1 ASN A 85 166.975 -0.520 -11.261 1.00 0.00 O ATOM 1404 ND2 ASN A 85 166.305 -2.319 -12.425 1.00 0.00 N ATOM 0 H ASN A 85 166.428 1.512 -13.599 1.00 0.00 H new ATOM 0 HA ASN A 85 168.559 0.206 -15.013 1.00 0.00 H new ATOM 0 HB2 ASN A 85 168.394 -1.945 -13.792 1.00 0.00 H new ATOM 0 HB3 ASN A 85 169.076 -0.678 -12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 85 165.571 -2.536 -11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 85 166.435 -2.911 -13.246 1.00 0.00 H new ATOM 1411 N LEU A 86 166.689 -1.614 -15.774 1.00 0.00 N ATOM 1412 CA LEU A 86 165.609 -2.202 -16.568 1.00 0.00 C ATOM 1413 C LEU A 86 165.166 -3.541 -15.980 1.00 0.00 C ATOM 1414 O LEU A 86 164.027 -3.684 -15.533 1.00 0.00 O ATOM 1415 CB LEU A 86 166.051 -2.381 -18.023 1.00 0.00 C ATOM 1416 CG LEU A 86 166.725 -1.159 -18.654 1.00 0.00 C ATOM 1417 CD1 LEU A 86 168.223 -1.386 -18.794 1.00 0.00 C ATOM 1418 CD2 LEU A 86 166.100 -0.847 -20.006 1.00 0.00 C ATOM 0 H LEU A 86 167.555 -2.153 -15.777 1.00 0.00 H new ATOM 0 HA LEU A 86 164.759 -1.520 -16.541 1.00 0.00 H new ATOM 0 HB2 LEU A 86 166.740 -3.224 -18.076 1.00 0.00 H new ATOM 0 HB3 LEU A 86 165.179 -2.644 -18.621 1.00 0.00 H new ATOM 0 HG LEU A 86 166.571 -0.302 -17.998 1.00 0.00 H new ATOM 0 HD11 LEU A 86 168.684 -0.507 -19.244 1.00 0.00 H new ATOM 0 HD12 LEU A 86 168.658 -1.560 -17.810 1.00 0.00 H new ATOM 0 HD13 LEU A 86 168.402 -2.254 -19.428 1.00 0.00 H new ATOM 0 HD21 LEU A 86 166.590 0.024 -20.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 166.224 -1.702 -20.670 1.00 0.00 H new ATOM 0 HD23 LEU A 86 165.038 -0.639 -19.877 1.00 0.00 H new ATOM 1430 N GLU A 87 166.074 -4.517 -15.979 1.00 0.00 N ATOM 1431 CA GLU A 87 165.780 -5.843 -15.439 1.00 0.00 C ATOM 1432 C GLU A 87 166.690 -6.160 -14.253 1.00 0.00 C ATOM 1433 O GLU A 87 166.226 -6.630 -13.213 1.00 0.00 O ATOM 1434 CB GLU A 87 165.945 -6.917 -16.519 1.00 0.00 C ATOM 1435 CG GLU A 87 164.891 -6.853 -17.614 1.00 0.00 C ATOM 1436 CD GLU A 87 165.355 -6.077 -18.832 1.00 0.00 C ATOM 1437 OE1 GLU A 87 166.356 -6.491 -19.455 1.00 0.00 O ATOM 1438 OE2 GLU A 87 164.717 -5.057 -19.163 1.00 0.00 O ATOM 0 H GLU A 87 167.020 -4.413 -16.347 1.00 0.00 H new ATOM 0 HA GLU A 87 164.745 -5.842 -15.098 1.00 0.00 H new ATOM 0 HB2 GLU A 87 166.932 -6.816 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 87 165.909 -7.900 -16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 87 164.624 -7.866 -17.914 1.00 0.00 H new ATOM 0 HG3 GLU A 87 163.988 -6.390 -17.216 1.00 0.00 H new ATOM 1445 N HIS A 88 167.988 -5.903 -14.420 1.00 0.00 N ATOM 1446 CA HIS A 88 168.965 -6.165 -13.367 1.00 0.00 C ATOM 1447 C HIS A 88 170.121 -5.166 -13.426 1.00 0.00 C ATOM 1448 O HIS A 88 170.608 -4.827 -14.506 1.00 0.00 O ATOM 1449 CB HIS A 88 169.496 -7.601 -13.477 1.00 0.00 C ATOM 1450 CG HIS A 88 170.127 -7.925 -14.801 1.00 0.00 C ATOM 1451 ND1 HIS A 88 171.373 -8.507 -14.916 1.00 0.00 N ATOM 1452 CD2 HIS A 88 169.677 -7.753 -16.069 1.00 0.00 C ATOM 1453 CE1 HIS A 88 171.661 -8.678 -16.194 1.00 0.00 C ATOM 1454 NE2 HIS A 88 170.649 -8.229 -16.913 1.00 0.00 N ATOM 0 H HIS A 88 168.385 -5.514 -15.275 1.00 0.00 H new ATOM 0 HA HIS A 88 168.465 -6.046 -12.406 1.00 0.00 H new ATOM 0 HB2 HIS A 88 170.229 -7.767 -12.688 1.00 0.00 H new ATOM 0 HB3 HIS A 88 168.674 -8.295 -13.299 1.00 0.00 H new ATOM 0 HD2 HIS A 88 168.731 -7.322 -16.360 1.00 0.00 H new ATOM 0 HE1 HIS A 88 172.570 -9.111 -16.584 1.00 0.00 H new ATOM 0 HE2 HIS A 88 170.598 -8.235 -17.932 1.00 0.00 H new ATOM 1463 N HIS A 89 170.556 -4.698 -12.254 1.00 0.00 N ATOM 1464 CA HIS A 89 171.657 -3.737 -12.168 1.00 0.00 C ATOM 1465 C HIS A 89 172.227 -3.680 -10.749 1.00 0.00 C ATOM 1466 O HIS A 89 173.403 -3.973 -10.533 1.00 0.00 O ATOM 1467 CB HIS A 89 171.186 -2.344 -12.605 1.00 0.00 C ATOM 1468 CG HIS A 89 172.290 -1.336 -12.698 1.00 0.00 C ATOM 1469 ND1 HIS A 89 172.740 -0.819 -13.895 1.00 0.00 N ATOM 1470 CD2 HIS A 89 173.035 -0.745 -11.733 1.00 0.00 C ATOM 1471 CE1 HIS A 89 173.711 0.045 -13.662 1.00 0.00 C ATOM 1472 NE2 HIS A 89 173.909 0.109 -12.357 1.00 0.00 N ATOM 0 H HIS A 89 170.163 -4.969 -11.353 1.00 0.00 H new ATOM 0 HA HIS A 89 172.448 -4.070 -12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 89 170.696 -2.424 -13.576 1.00 0.00 H new ATOM 0 HB3 HIS A 89 170.437 -1.985 -11.899 1.00 0.00 H new ATOM 0 HD2 HIS A 89 172.956 -0.915 -10.669 1.00 0.00 H new ATOM 0 HE1 HIS A 89 174.252 0.605 -14.411 1.00 0.00 H new ATOM 0 HE2 HIS A 89 174.599 0.697 -11.890 1.00 0.00 H new ATOM 1481 N HIS A 90 171.384 -3.301 -9.786 1.00 0.00 N ATOM 1482 CA HIS A 90 171.801 -3.206 -8.389 1.00 0.00 C ATOM 1483 C HIS A 90 170.930 -4.096 -7.500 1.00 0.00 C ATOM 1484 O HIS A 90 171.430 -5.023 -6.860 1.00 0.00 O ATOM 1485 CB HIS A 90 171.741 -1.750 -7.913 1.00 0.00 C ATOM 1486 CG HIS A 90 172.433 -1.510 -6.605 1.00 0.00 C ATOM 1487 ND1 HIS A 90 173.716 -1.939 -6.341 1.00 0.00 N ATOM 1488 CD2 HIS A 90 172.015 -0.871 -5.487 1.00 0.00 C ATOM 1489 CE1 HIS A 90 174.057 -1.574 -5.117 1.00 0.00 C ATOM 1490 NE2 HIS A 90 173.042 -0.924 -4.578 1.00 0.00 N ATOM 0 H HIS A 90 170.408 -3.055 -9.950 1.00 0.00 H new ATOM 0 HA HIS A 90 172.831 -3.555 -8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 90 172.190 -1.111 -8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 90 170.697 -1.451 -7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 90 171.052 -0.406 -5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 90 175.005 -1.774 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 90 173.024 -0.526 -3.639 1.00 0.00 H new ATOM 1499 N HIS A 91 169.626 -3.813 -7.469 1.00 0.00 N ATOM 1500 CA HIS A 91 168.690 -4.596 -6.660 1.00 0.00 C ATOM 1501 C HIS A 91 168.088 -5.741 -7.473 1.00 0.00 C ATOM 1502 O HIS A 91 167.817 -5.591 -8.666 1.00 0.00 O ATOM 1503 CB HIS A 91 167.566 -3.709 -6.104 1.00 0.00 C ATOM 1504 CG HIS A 91 166.869 -2.868 -7.134 1.00 0.00 C ATOM 1505 ND1 HIS A 91 167.199 -1.551 -7.380 1.00 0.00 N ATOM 1506 CD2 HIS A 91 165.841 -3.157 -7.968 1.00 0.00 C ATOM 1507 CE1 HIS A 91 166.403 -1.067 -8.317 1.00 0.00 C ATOM 1508 NE2 HIS A 91 165.572 -2.021 -8.691 1.00 0.00 N ATOM 0 H HIS A 91 169.196 -3.051 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 91 169.252 -5.015 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 91 166.829 -4.344 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 91 167.982 -3.053 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 91 165.329 -4.104 -8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 91 166.428 -0.061 -8.710 1.00 0.00 H new ATOM 0 HE2 HIS A 91 164.847 -1.930 -9.402 1.00 0.00 H new ATOM 1517 N HIS A 92 167.878 -6.884 -6.819 1.00 0.00 N ATOM 1518 CA HIS A 92 167.302 -8.053 -7.482 1.00 0.00 C ATOM 1519 C HIS A 92 166.861 -9.110 -6.466 1.00 0.00 C ATOM 1520 O HIS A 92 167.620 -10.021 -6.129 1.00 0.00 O ATOM 1521 CB HIS A 92 168.291 -8.656 -8.493 1.00 0.00 C ATOM 1522 CG HIS A 92 169.694 -8.832 -7.980 1.00 0.00 C ATOM 1523 ND1 HIS A 92 170.019 -8.850 -6.638 1.00 0.00 N ATOM 1524 CD2 HIS A 92 170.859 -9.014 -8.647 1.00 0.00 C ATOM 1525 CE1 HIS A 92 171.319 -9.034 -6.504 1.00 0.00 C ATOM 1526 NE2 HIS A 92 171.854 -9.138 -7.707 1.00 0.00 N ATOM 0 H HIS A 92 168.098 -7.025 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 92 166.418 -7.719 -8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 92 167.913 -9.627 -8.814 1.00 0.00 H new ATOM 0 HB3 HIS A 92 168.320 -8.017 -9.376 1.00 0.00 H new ATOM 0 HD1 HIS A 92 169.357 -8.738 -5.870 1.00 0.00 H new ATOM 0 HD2 HIS A 92 170.983 -9.054 -9.719 1.00 0.00 H new ATOM 0 HE1 HIS A 92 171.855 -9.090 -5.568 1.00 0.00 H new ATOM 1535 N HIS A 93 165.623 -8.979 -5.987 1.00 0.00 N ATOM 1536 CA HIS A 93 165.068 -9.919 -5.017 1.00 0.00 C ATOM 1537 C HIS A 93 163.693 -10.410 -5.468 1.00 0.00 C ATOM 1538 O HIS A 93 162.704 -9.667 -5.283 1.00 0.00 O ATOM 1539 CB HIS A 93 164.975 -9.270 -3.630 1.00 0.00 C ATOM 1540 CG HIS A 93 166.205 -9.470 -2.798 1.00 0.00 C ATOM 1541 ND1 HIS A 93 166.362 -10.526 -1.925 1.00 0.00 N ATOM 1542 CD2 HIS A 93 167.346 -8.744 -2.715 1.00 0.00 C ATOM 1543 CE1 HIS A 93 167.543 -10.440 -1.341 1.00 0.00 C ATOM 1544 NE2 HIS A 93 168.160 -9.369 -1.802 1.00 0.00 N ATOM 1545 OXT HIS A 93 163.620 -11.529 -6.016 1.00 0.00 O ATOM 0 H HIS A 93 164.986 -8.229 -6.257 1.00 0.00 H new ATOM 0 HA HIS A 93 165.736 -10.778 -4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 93 164.794 -8.202 -3.748 1.00 0.00 H new ATOM 0 HB3 HIS A 93 164.116 -9.682 -3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 93 167.573 -7.842 -3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 93 167.937 -11.130 -0.610 1.00 0.00 H new ATOM 0 HE2 HIS A 93 169.090 -9.056 -1.525 1.00 0.00 H new TER 1554 HIS A 93