USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 938 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 42 MET CE :methyl -158:sc= -0.065 (180deg=-0.969) USER MOD Set 1.2: A 78 TYR OH : rot -30:sc= -0.979 USER MOD Set 2.1: A 30 GLN : amide:sc= 1.15 X(o=-0.52,f=-0.87) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.19! K(o=-0.52!,f=0.34) USER MOD Set 2.3: A 45 MET CE :methyl 162:sc= -0.0857 (180deg=-0.615) USER MOD Set 2.4: A 52 GLN : amide:sc= 0.6 K(o=-0.52,f=-1.6) USER MOD Set 3.1: A 21 HIS : no HD1:sc= -4.08! K(o=-4.5!,f=-6.7) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -0.877! C(o=-4.5!,f=-11!) USER MOD Set 3.3: A 89 GLN : amide:sc= 0.508 K(o=-4.5,f=-5.8) USER MOD Set 4.1: A 10 GLN : amide:sc= 1.89 K(o=4.3,f=-15!) USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 2.36 (180deg=0.838) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0381 (180deg=-0.319) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -108:sc= 1.29 USER MOD Single : A 4 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.7) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 23 HIS : no HE2:sc= 0.514 K(o=0.51,f=-5.1!) USER MOD Single : A 26 ASN : amide:sc= 0.234 K(o=0.23,f=-4.8!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.4!) USER MOD Single : A 36 SER OG : rot 7:sc= -1.64! USER MOD Single : A 37 THR OG1 : rot -28:sc= 0.722 USER MOD Single : A 38 GLN : amide:sc= 0.301 K(o=0.3,f=-1.1) USER MOD Single : A 44 THR OG1 : rot -62:sc= 0.777 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -0.0194 K(o=-0.019,f=-3.8!) USER MOD Single : A 65 ASN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.721 K(o=0.72,f=-0.1) USER MOD Single : A 79 TYR OH : rot 17:sc= 1.14 USER MOD Single : A 81 MET CE :methyl 159:sc= -0.194 (180deg=-0.843) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 109 SER OG : rot -148:sc= 1.25 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.017) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.513 3.281 8.689 1.00 0.00 N ATOM 2 CA MET A 1 -17.515 3.208 7.601 1.00 0.00 C ATOM 3 C MET A 1 -16.819 1.860 7.643 1.00 0.00 C ATOM 4 O MET A 1 -16.223 1.499 8.655 1.00 0.00 O ATOM 5 CB MET A 1 -16.475 4.322 7.748 1.00 0.00 C ATOM 6 CG MET A 1 -17.056 5.722 7.700 1.00 0.00 C ATOM 7 SD MET A 1 -15.822 6.992 8.051 1.00 0.00 S ATOM 8 CE MET A 1 -16.826 8.472 7.950 1.00 0.00 C ATOM 0 H1 MET A 1 -19.169 4.067 8.506 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.046 2.389 8.732 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.028 3.438 9.595 1.00 0.00 H new ATOM 0 HA MET A 1 -18.028 3.331 6.647 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.949 4.191 8.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.735 4.220 6.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.486 5.900 6.715 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.869 5.800 8.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.205 9.347 8.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.261 8.549 6.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.624 8.422 8.691 1.00 0.00 H new ATOM 20 N THR A 2 -16.909 1.115 6.550 1.00 0.00 N ATOM 21 CA THR A 2 -16.295 -0.200 6.470 1.00 0.00 C ATOM 22 C THR A 2 -14.775 -0.096 6.468 1.00 0.00 C ATOM 23 O THR A 2 -14.213 0.976 6.222 1.00 0.00 O ATOM 24 CB THR A 2 -16.744 -0.951 5.201 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.406 -0.192 4.034 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.239 -1.212 5.224 1.00 0.00 C ATOM 0 H THR A 2 -17.403 1.401 5.705 1.00 0.00 H new ATOM 0 HA THR A 2 -16.620 -0.755 7.350 1.00 0.00 H new ATOM 0 HB THR A 2 -16.225 -1.909 5.174 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.694 -0.678 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.530 -1.743 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.489 -1.817 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.773 -0.263 5.276 1.00 0.00 H new ATOM 34 N THR A 3 -14.113 -1.209 6.751 1.00 0.00 N ATOM 35 CA THR A 3 -12.666 -1.275 6.692 1.00 0.00 C ATOM 36 C THR A 3 -12.173 -0.939 5.286 1.00 0.00 C ATOM 37 O THR A 3 -11.156 -0.268 5.118 1.00 0.00 O ATOM 38 CB THR A 3 -12.167 -2.674 7.094 1.00 0.00 C ATOM 39 OG1 THR A 3 -12.721 -3.043 8.366 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.651 -2.706 7.159 1.00 0.00 C ATOM 0 H THR A 3 -14.562 -2.083 7.025 1.00 0.00 H new ATOM 0 HA THR A 3 -12.267 -0.544 7.395 1.00 0.00 H new ATOM 0 HB THR A 3 -12.494 -3.388 6.338 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.020 -3.009 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.320 -3.704 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.240 -2.453 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.303 -1.983 7.897 1.00 0.00 H new ATOM 48 N HIS A 4 -12.926 -1.392 4.285 1.00 0.00 N ATOM 49 CA HIS A 4 -12.593 -1.152 2.879 1.00 0.00 C ATOM 50 C HIS A 4 -12.320 0.321 2.602 1.00 0.00 C ATOM 51 O HIS A 4 -11.323 0.666 1.966 1.00 0.00 O ATOM 52 CB HIS A 4 -13.726 -1.624 1.966 1.00 0.00 C ATOM 53 CG HIS A 4 -13.893 -3.107 1.908 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.082 -3.742 2.186 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.022 -4.079 1.561 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.934 -5.042 2.012 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.692 -5.275 1.629 1.00 0.00 N ATOM 0 H HIS A 4 -13.780 -1.933 4.423 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.686 -1.720 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.661 -1.178 2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.544 -1.251 0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.988 -3.941 1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.700 -5.789 2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.296 -6.191 1.419 1.00 0.00 H new ATOM 66 N ASP A 5 -13.202 1.187 3.088 1.00 0.00 N ATOM 67 CA ASP A 5 -13.091 2.616 2.818 1.00 0.00 C ATOM 68 C ASP A 5 -11.829 3.182 3.457 1.00 0.00 C ATOM 69 O ASP A 5 -11.143 4.019 2.873 1.00 0.00 O ATOM 70 CB ASP A 5 -14.317 3.360 3.345 1.00 0.00 C ATOM 71 CG ASP A 5 -14.534 4.691 2.650 1.00 0.00 C ATOM 72 OD1 ASP A 5 -13.764 5.638 2.902 1.00 0.00 O ATOM 73 OD2 ASP A 5 -15.486 4.789 1.846 1.00 0.00 O ATOM 0 H ASP A 5 -13.999 0.926 3.669 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.034 2.754 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.201 2.736 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.203 3.528 4.416 1.00 0.00 H new ATOM 78 N ARG A 6 -11.507 2.688 4.646 1.00 0.00 N ATOM 79 CA ARG A 6 -10.328 3.145 5.370 1.00 0.00 C ATOM 80 C ARG A 6 -9.045 2.635 4.713 1.00 0.00 C ATOM 81 O ARG A 6 -8.022 3.315 4.728 1.00 0.00 O ATOM 82 CB ARG A 6 -10.406 2.714 6.836 1.00 0.00 C ATOM 83 CG ARG A 6 -11.511 3.427 7.605 1.00 0.00 C ATOM 84 CD ARG A 6 -11.568 2.986 9.059 1.00 0.00 C ATOM 85 NE ARG A 6 -12.053 1.615 9.202 1.00 0.00 N ATOM 86 CZ ARG A 6 -11.384 0.652 9.836 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.185 0.901 10.347 1.00 0.00 N ATOM 88 NH2 ARG A 6 -11.918 -0.555 9.962 1.00 0.00 N ATOM 0 H ARG A 6 -12.047 1.970 5.130 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.303 4.234 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.572 1.638 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.449 2.911 7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.348 4.504 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.471 3.229 7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.574 3.066 9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.219 3.660 9.616 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.957 1.381 8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.774 1.830 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.674 0.163 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.841 -0.747 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.405 -1.291 10.447 1.00 0.00 H new ATOM 102 N VAL A 7 -9.106 1.443 4.123 1.00 0.00 N ATOM 103 CA VAL A 7 -7.981 0.919 3.351 1.00 0.00 C ATOM 104 C VAL A 7 -7.775 1.778 2.108 1.00 0.00 C ATOM 105 O VAL A 7 -6.650 2.049 1.691 1.00 0.00 O ATOM 106 CB VAL A 7 -8.206 -0.548 2.925 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.014 -1.079 2.143 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.478 -1.425 4.133 1.00 0.00 C ATOM 0 H VAL A 7 -9.917 0.825 4.164 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.097 0.951 3.988 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.080 -0.575 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.199 -2.114 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.868 -0.474 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.120 -1.030 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.633 -2.454 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.626 -1.384 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.370 -1.069 4.648 1.00 0.00 H new ATOM 118 N ARG A 8 -8.888 2.206 1.532 1.00 0.00 N ATOM 119 CA ARG A 8 -8.879 3.115 0.395 1.00 0.00 C ATOM 120 C ARG A 8 -8.200 4.431 0.763 1.00 0.00 C ATOM 121 O ARG A 8 -7.412 4.973 -0.012 1.00 0.00 O ATOM 122 CB ARG A 8 -10.315 3.357 -0.067 1.00 0.00 C ATOM 123 CG ARG A 8 -10.476 4.501 -1.046 1.00 0.00 C ATOM 124 CD ARG A 8 -11.940 4.721 -1.356 1.00 0.00 C ATOM 125 NE ARG A 8 -12.174 5.945 -2.110 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.660 7.067 -1.580 1.00 0.00 C ATOM 127 NH1 ARG A 8 -12.965 7.123 -0.286 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.858 8.127 -2.349 1.00 0.00 N ATOM 0 H ARG A 8 -9.822 1.934 1.839 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.312 2.666 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.693 2.445 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.936 3.553 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.045 5.411 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.931 4.283 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.319 3.871 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.503 4.759 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.952 5.943 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.827 6.304 0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.337 7.985 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.639 8.083 -3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.230 8.987 -1.946 1.00 0.00 H new ATOM 142 N LEU A 9 -8.509 4.934 1.954 1.00 0.00 N ATOM 143 CA LEU A 9 -7.885 6.150 2.463 1.00 0.00 C ATOM 144 C LEU A 9 -6.391 5.925 2.675 1.00 0.00 C ATOM 145 O LEU A 9 -5.572 6.810 2.422 1.00 0.00 O ATOM 146 CB LEU A 9 -8.544 6.576 3.779 1.00 0.00 C ATOM 147 CG LEU A 9 -10.051 6.837 3.705 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.601 7.172 5.082 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.354 7.961 2.723 1.00 0.00 C ATOM 0 H LEU A 9 -9.191 4.516 2.587 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.022 6.945 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.363 5.801 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.053 7.481 4.135 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.539 5.930 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.673 7.355 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.419 6.338 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.106 8.064 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.430 8.131 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.854 8.873 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.995 7.685 1.732 1.00 0.00 H new ATOM 161 N GLN A 10 -6.051 4.724 3.127 1.00 0.00 N ATOM 162 CA GLN A 10 -4.662 4.340 3.339 1.00 0.00 C ATOM 163 C GLN A 10 -3.885 4.371 2.024 1.00 0.00 C ATOM 164 O GLN A 10 -2.736 4.814 1.982 1.00 0.00 O ATOM 165 CB GLN A 10 -4.597 2.944 3.972 1.00 0.00 C ATOM 166 CG GLN A 10 -3.185 2.462 4.258 1.00 0.00 C ATOM 167 CD GLN A 10 -2.421 3.402 5.165 1.00 0.00 C ATOM 168 OE1 GLN A 10 -3.004 4.077 6.013 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.113 3.453 4.995 1.00 0.00 N ATOM 0 H GLN A 10 -6.726 3.994 3.355 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.201 5.057 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.163 2.952 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.086 2.232 3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.228 1.475 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.645 2.352 3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.669 2.877 4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.547 4.069 5.578 1.00 0.00 H new ATOM 178 N LEU A 11 -4.517 3.906 0.949 1.00 0.00 N ATOM 179 CA LEU A 11 -3.906 3.952 -0.378 1.00 0.00 C ATOM 180 C LEU A 11 -3.613 5.393 -0.782 1.00 0.00 C ATOM 181 O LEU A 11 -2.570 5.689 -1.365 1.00 0.00 O ATOM 182 CB LEU A 11 -4.824 3.311 -1.420 1.00 0.00 C ATOM 183 CG LEU A 11 -5.096 1.821 -1.234 1.00 0.00 C ATOM 184 CD1 LEU A 11 -6.021 1.321 -2.329 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.793 1.032 -1.234 1.00 0.00 C ATOM 0 H LEU A 11 -5.450 3.494 0.970 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.971 3.393 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.777 3.840 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.385 3.461 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.581 1.673 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.210 0.257 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.964 1.866 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.554 1.481 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.009 -0.028 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.278 1.180 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.158 1.378 -0.419 1.00 0.00 H new ATOM 197 N GLN A 12 -4.538 6.284 -0.454 1.00 0.00 N ATOM 198 CA GLN A 12 -4.376 7.700 -0.752 1.00 0.00 C ATOM 199 C GLN A 12 -3.197 8.279 0.027 1.00 0.00 C ATOM 200 O GLN A 12 -2.484 9.154 -0.465 1.00 0.00 O ATOM 201 CB GLN A 12 -5.660 8.461 -0.418 1.00 0.00 C ATOM 202 CG GLN A 12 -6.868 7.994 -1.216 1.00 0.00 C ATOM 203 CD GLN A 12 -8.122 8.774 -0.889 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.309 9.237 0.235 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.988 8.934 -1.877 1.00 0.00 N ATOM 0 H GLN A 12 -5.411 6.051 0.020 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.172 7.809 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.872 8.350 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.501 9.524 -0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.654 8.089 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.041 6.936 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.794 8.533 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.849 9.458 -1.721 1.00 0.00 H new ATOM 214 N ALA A 13 -2.991 7.771 1.239 1.00 0.00 N ATOM 215 CA ALA A 13 -1.851 8.169 2.055 1.00 0.00 C ATOM 216 C ALA A 13 -0.550 7.650 1.447 1.00 0.00 C ATOM 217 O ALA A 13 0.463 8.352 1.428 1.00 0.00 O ATOM 218 CB ALA A 13 -2.008 7.661 3.482 1.00 0.00 C ATOM 0 H ALA A 13 -3.601 7.081 1.677 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.813 9.258 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.147 7.969 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.916 8.077 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.074 6.573 3.476 1.00 0.00 H new ATOM 224 N LEU A 14 -0.588 6.417 0.952 1.00 0.00 N ATOM 225 CA LEU A 14 0.561 5.821 0.275 1.00 0.00 C ATOM 226 C LEU A 14 0.954 6.647 -0.944 1.00 0.00 C ATOM 227 O LEU A 14 2.138 6.854 -1.212 1.00 0.00 O ATOM 228 CB LEU A 14 0.253 4.382 -0.151 1.00 0.00 C ATOM 229 CG LEU A 14 -0.023 3.402 0.990 1.00 0.00 C ATOM 230 CD1 LEU A 14 -0.413 2.039 0.440 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.195 3.280 1.890 1.00 0.00 C ATOM 0 H LEU A 14 -1.405 5.808 1.007 1.00 0.00 H new ATOM 0 HA LEU A 14 1.395 5.809 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.613 4.395 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.094 4.006 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.854 3.787 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.606 1.355 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.312 2.136 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.399 1.648 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.982 2.579 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.042 2.917 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.435 4.256 2.311 1.00 0.00 H new ATOM 243 N GLU A 15 -0.049 7.122 -1.673 1.00 0.00 N ATOM 244 CA GLU A 15 0.174 7.970 -2.836 1.00 0.00 C ATOM 245 C GLU A 15 0.917 9.244 -2.435 1.00 0.00 C ATOM 246 O GLU A 15 1.866 9.668 -3.101 1.00 0.00 O ATOM 247 CB GLU A 15 -1.164 8.330 -3.481 1.00 0.00 C ATOM 248 CG GLU A 15 -1.028 9.068 -4.800 1.00 0.00 C ATOM 249 CD GLU A 15 -2.342 9.639 -5.281 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.240 8.859 -5.655 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.488 10.881 -5.276 1.00 0.00 O ATOM 0 H GLU A 15 -1.032 6.932 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 15 0.784 7.422 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.736 7.417 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.737 8.946 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.304 9.875 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.633 8.388 -5.554 1.00 0.00 H new ATOM 258 N ALA A 16 0.480 9.845 -1.334 1.00 0.00 N ATOM 259 CA ALA A 16 1.116 11.048 -0.812 1.00 0.00 C ATOM 260 C ALA A 16 2.553 10.759 -0.391 1.00 0.00 C ATOM 261 O ALA A 16 3.430 11.612 -0.511 1.00 0.00 O ATOM 262 CB ALA A 16 0.321 11.605 0.358 1.00 0.00 C ATOM 0 H ALA A 16 -0.314 9.517 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 16 1.136 11.796 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.810 12.503 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.688 11.853 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.270 10.859 1.151 1.00 0.00 H new ATOM 268 N LEU A 17 2.792 9.545 0.084 1.00 0.00 N ATOM 269 CA LEU A 17 4.133 9.129 0.467 1.00 0.00 C ATOM 270 C LEU A 17 5.015 9.021 -0.774 1.00 0.00 C ATOM 271 O LEU A 17 6.171 9.449 -0.770 1.00 0.00 O ATOM 272 CB LEU A 17 4.096 7.784 1.187 1.00 0.00 C ATOM 273 CG LEU A 17 5.419 7.360 1.819 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.552 7.928 3.223 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.544 5.851 1.825 1.00 0.00 C ATOM 0 H LEU A 17 2.075 8.831 0.213 1.00 0.00 H new ATOM 0 HA LEU A 17 4.546 9.876 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.334 7.825 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.786 7.017 0.478 1.00 0.00 H new ATOM 0 HG LEU A 17 6.234 7.764 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.502 7.613 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.516 9.017 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.733 7.562 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.493 5.566 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.724 5.420 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.505 5.479 0.801 1.00 0.00 H new ATOM 287 N LEU A 18 4.455 8.456 -1.838 1.00 0.00 N ATOM 288 CA LEU A 18 5.168 8.313 -3.102 1.00 0.00 C ATOM 289 C LEU A 18 5.342 9.667 -3.785 1.00 0.00 C ATOM 290 O LEU A 18 6.056 9.788 -4.774 1.00 0.00 O ATOM 291 CB LEU A 18 4.436 7.339 -4.028 1.00 0.00 C ATOM 292 CG LEU A 18 4.355 5.896 -3.524 1.00 0.00 C ATOM 293 CD1 LEU A 18 3.615 5.023 -4.527 1.00 0.00 C ATOM 294 CD2 LEU A 18 5.750 5.344 -3.267 1.00 0.00 C ATOM 0 H LEU A 18 3.504 8.088 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 18 6.157 7.909 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.423 7.708 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.934 7.341 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 18 3.801 5.889 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.566 4.000 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.604 5.406 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.143 5.036 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.675 4.317 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.326 5.364 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.250 5.955 -2.515 1.00 0.00 H new ATOM 306 N ARG A 19 4.669 10.684 -3.266 1.00 0.00 N ATOM 307 CA ARG A 19 4.903 12.045 -3.721 1.00 0.00 C ATOM 308 C ARG A 19 6.221 12.564 -3.144 1.00 0.00 C ATOM 309 O ARG A 19 6.992 13.234 -3.833 1.00 0.00 O ATOM 310 CB ARG A 19 3.736 12.956 -3.324 1.00 0.00 C ATOM 311 CG ARG A 19 3.883 14.390 -3.813 1.00 0.00 C ATOM 312 CD ARG A 19 2.593 15.180 -3.639 1.00 0.00 C ATOM 313 NE ARG A 19 2.167 15.269 -2.240 1.00 0.00 N ATOM 314 CZ ARG A 19 1.112 15.978 -1.829 1.00 0.00 C ATOM 315 NH1 ARG A 19 0.389 16.670 -2.701 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.777 16.000 -0.544 1.00 0.00 N ATOM 0 H ARG A 19 3.963 10.593 -2.536 1.00 0.00 H new ATOM 0 HA ARG A 19 4.972 12.048 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.810 12.539 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.643 12.960 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.687 14.881 -3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.169 14.388 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.731 16.185 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.803 14.711 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 19 2.707 14.760 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.638 16.662 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.416 17.210 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.326 15.474 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.030 16.543 -0.236 1.00 0.00 H new ATOM 330 N GLU A 20 6.485 12.222 -1.885 1.00 0.00 N ATOM 331 CA GLU A 20 7.738 12.598 -1.235 1.00 0.00 C ATOM 332 C GLU A 20 8.895 11.811 -1.822 1.00 0.00 C ATOM 333 O GLU A 20 9.875 12.371 -2.310 1.00 0.00 O ATOM 334 CB GLU A 20 7.708 12.289 0.262 1.00 0.00 C ATOM 335 CG GLU A 20 6.556 12.894 1.032 1.00 0.00 C ATOM 336 CD GLU A 20 6.623 12.514 2.496 1.00 0.00 C ATOM 337 OE1 GLU A 20 6.627 11.299 2.802 1.00 0.00 O ATOM 338 OE2 GLU A 20 6.708 13.422 3.344 1.00 0.00 O ATOM 0 H GLU A 20 5.849 11.686 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 20 7.864 13.669 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.679 11.207 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.641 12.638 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.578 13.979 0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.612 12.554 0.607 1.00 0.00 H new ATOM 345 N HIS A 21 8.760 10.493 -1.763 1.00 0.00 N ATOM 346 CA HIS A 21 9.866 9.596 -2.059 1.00 0.00 C ATOM 347 C HIS A 21 9.809 9.140 -3.510 1.00 0.00 C ATOM 348 O HIS A 21 10.467 8.175 -3.897 1.00 0.00 O ATOM 349 CB HIS A 21 9.827 8.402 -1.099 1.00 0.00 C ATOM 350 CG HIS A 21 9.588 8.819 0.327 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.547 9.414 1.114 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.463 8.787 1.077 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.019 9.731 2.282 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.749 9.367 2.289 1.00 0.00 N ATOM 0 H HIS A 21 7.891 10.021 -1.512 1.00 0.00 H new ATOM 0 HA HIS A 21 10.809 10.125 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.040 7.715 -1.410 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.769 7.858 -1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.510 8.378 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.540 10.210 3.098 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.094 9.495 3.061 1.00 0.00 H new ATOM 363 N GLN A 22 9.012 9.863 -4.294 1.00 0.00 N ATOM 364 CA GLN A 22 8.889 9.648 -5.733 1.00 0.00 C ATOM 365 C GLN A 22 8.483 8.206 -6.062 1.00 0.00 C ATOM 366 O GLN A 22 7.747 7.581 -5.296 1.00 0.00 O ATOM 367 CB GLN A 22 10.188 10.050 -6.434 1.00 0.00 C ATOM 368 CG GLN A 22 10.578 11.497 -6.178 1.00 0.00 C ATOM 369 CD GLN A 22 11.806 11.925 -6.957 1.00 0.00 C ATOM 370 OE1 GLN A 22 12.682 11.115 -7.252 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.873 13.204 -7.297 1.00 0.00 N ATOM 0 H GLN A 22 8.428 10.622 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 22 8.087 10.284 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.993 9.397 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.079 9.893 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.742 12.145 -6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.764 11.635 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.123 13.842 -7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.675 13.550 -7.824 1.00 0.00 H new ATOM 380 N HIS A 23 8.951 7.696 -7.206 1.00 0.00 N ATOM 381 CA HIS A 23 8.490 6.422 -7.777 1.00 0.00 C ATOM 382 C HIS A 23 7.132 6.608 -8.437 1.00 0.00 C ATOM 383 O HIS A 23 6.887 6.073 -9.518 1.00 0.00 O ATOM 384 CB HIS A 23 8.451 5.276 -6.757 1.00 0.00 C ATOM 385 CG HIS A 23 9.808 4.837 -6.308 1.00 0.00 C ATOM 386 ND1 HIS A 23 10.455 3.731 -6.816 1.00 0.00 N ATOM 387 CD2 HIS A 23 10.651 5.375 -5.398 1.00 0.00 C ATOM 388 CE1 HIS A 23 11.632 3.609 -6.238 1.00 0.00 C ATOM 389 NE2 HIS A 23 11.779 4.596 -5.373 1.00 0.00 N ATOM 0 H HIS A 23 9.666 8.158 -7.768 1.00 0.00 H new ATOM 0 HA HIS A 23 9.223 6.128 -8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.873 5.592 -5.888 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.929 4.426 -7.196 1.00 0.00 H new ATOM 0 HD1 HIS A 23 10.080 3.105 -7.529 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.469 6.256 -4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.355 2.832 -6.438 1.00 0.00 H new ATOM 398 N TRP A 24 6.258 7.385 -7.801 1.00 0.00 N ATOM 399 CA TRP A 24 5.014 7.805 -8.432 1.00 0.00 C ATOM 400 C TRP A 24 5.333 8.871 -9.478 1.00 0.00 C ATOM 401 O TRP A 24 5.016 10.049 -9.322 1.00 0.00 O ATOM 402 CB TRP A 24 4.022 8.342 -7.390 1.00 0.00 C ATOM 403 CG TRP A 24 2.624 8.537 -7.913 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.138 9.620 -8.591 1.00 0.00 C ATOM 405 CD2 TRP A 24 1.526 7.621 -7.788 1.00 0.00 C ATOM 406 NE1 TRP A 24 0.811 9.433 -8.897 1.00 0.00 N ATOM 407 CE2 TRP A 24 0.413 8.214 -8.417 1.00 0.00 C ATOM 408 CE3 TRP A 24 1.377 6.355 -7.211 1.00 0.00 C ATOM 409 CZ2 TRP A 24 -0.829 7.586 -8.480 1.00 0.00 C ATOM 410 CZ3 TRP A 24 0.143 5.734 -7.276 1.00 0.00 C ATOM 411 CH2 TRP A 24 -0.945 6.349 -7.907 1.00 0.00 C ATOM 0 H TRP A 24 6.390 7.734 -6.852 1.00 0.00 H new ATOM 0 HA TRP A 24 4.543 6.948 -8.914 1.00 0.00 H new ATOM 0 HB2 TRP A 24 3.990 7.653 -6.546 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.392 9.294 -7.009 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.714 10.496 -8.849 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.219 10.094 -9.400 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.211 5.871 -6.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.671 8.059 -8.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.016 4.758 -6.832 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.895 5.837 -7.942 1.00 0.00 H new ATOM 422 N ARG A 25 6.028 8.444 -10.517 1.00 0.00 N ATOM 423 CA ARG A 25 6.420 9.317 -11.601 1.00 0.00 C ATOM 424 C ARG A 25 5.947 8.727 -12.915 1.00 0.00 C ATOM 425 O ARG A 25 6.641 7.922 -13.531 1.00 0.00 O ATOM 426 CB ARG A 25 7.944 9.499 -11.635 1.00 0.00 C ATOM 427 CG ARG A 25 8.528 10.192 -10.414 1.00 0.00 C ATOM 428 CD ARG A 25 8.116 11.656 -10.339 1.00 0.00 C ATOM 429 NE ARG A 25 8.477 12.391 -11.554 1.00 0.00 N ATOM 430 CZ ARG A 25 9.559 13.168 -11.676 1.00 0.00 C ATOM 431 NH1 ARG A 25 10.421 13.291 -10.673 1.00 0.00 N ATOM 432 NH2 ARG A 25 9.776 13.825 -12.810 1.00 0.00 N ATOM 0 H ARG A 25 6.336 7.478 -10.630 1.00 0.00 H new ATOM 0 HA ARG A 25 5.962 10.294 -11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.411 8.520 -11.738 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.208 10.073 -12.523 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.199 9.676 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.615 10.122 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.039 11.722 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.593 12.123 -9.477 1.00 0.00 H new ATOM 0 HE ARG A 25 7.861 12.304 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.261 12.790 -9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.243 13.886 -10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.118 13.736 -13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.600 14.418 -12.906 1.00 0.00 H new ATOM 446 N ASN A 26 4.755 9.112 -13.335 1.00 0.00 N ATOM 447 CA ASN A 26 4.192 8.610 -14.581 1.00 0.00 C ATOM 448 C ASN A 26 4.747 9.394 -15.763 1.00 0.00 C ATOM 449 O ASN A 26 4.254 9.284 -16.886 1.00 0.00 O ATOM 450 CB ASN A 26 2.659 8.676 -14.561 1.00 0.00 C ATOM 451 CG ASN A 26 2.116 10.081 -14.384 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.721 10.924 -13.720 1.00 0.00 O ATOM 453 ND2 ASN A 26 0.963 10.342 -14.976 1.00 0.00 N ATOM 0 H ASN A 26 4.157 9.769 -12.834 1.00 0.00 H new ATOM 0 HA ASN A 26 4.480 7.564 -14.688 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.273 8.261 -15.492 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.287 8.047 -13.753 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.544 11.268 -14.891 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.492 9.617 -15.518 1.00 0.00 H new ATOM 460 N ASP A 27 5.784 10.183 -15.484 1.00 0.00 N ATOM 461 CA ASP A 27 6.524 10.907 -16.509 1.00 0.00 C ATOM 462 C ASP A 27 7.040 9.934 -17.557 1.00 0.00 C ATOM 463 O ASP A 27 7.053 10.230 -18.751 1.00 0.00 O ATOM 464 CB ASP A 27 7.721 11.643 -15.888 1.00 0.00 C ATOM 465 CG ASP A 27 7.345 12.565 -14.742 1.00 0.00 C ATOM 466 OD1 ASP A 27 6.860 12.068 -13.704 1.00 0.00 O ATOM 467 OD2 ASP A 27 7.580 13.787 -14.852 1.00 0.00 O ATOM 0 H ASP A 27 6.133 10.336 -14.538 1.00 0.00 H new ATOM 0 HA ASP A 27 5.852 11.631 -16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.441 10.908 -15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.219 12.226 -16.663 1.00 0.00 H new ATOM 472 N GLU A 28 7.467 8.771 -17.090 1.00 0.00 N ATOM 473 CA GLU A 28 7.990 7.735 -17.962 1.00 0.00 C ATOM 474 C GLU A 28 7.397 6.383 -17.591 1.00 0.00 C ATOM 475 O GLU A 28 7.615 5.886 -16.486 1.00 0.00 O ATOM 476 CB GLU A 28 9.517 7.680 -17.873 1.00 0.00 C ATOM 477 CG GLU A 28 10.138 6.568 -18.703 1.00 0.00 C ATOM 478 CD GLU A 28 11.642 6.501 -18.558 1.00 0.00 C ATOM 479 OE1 GLU A 28 12.127 6.014 -17.517 1.00 0.00 O ATOM 480 OE2 GLU A 28 12.355 6.940 -19.486 1.00 0.00 O ATOM 0 H GLU A 28 7.460 8.521 -16.101 1.00 0.00 H new ATOM 0 HA GLU A 28 7.708 7.974 -18.988 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.926 8.636 -18.199 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.807 7.548 -16.831 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.706 5.613 -18.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.885 6.719 -19.752 1.00 0.00 H new ATOM 487 N PRO A 29 6.612 5.789 -18.497 1.00 0.00 N ATOM 488 CA PRO A 29 6.075 4.444 -18.309 1.00 0.00 C ATOM 489 C PRO A 29 7.175 3.391 -18.405 1.00 0.00 C ATOM 490 O PRO A 29 8.167 3.588 -19.111 1.00 0.00 O ATOM 491 CB PRO A 29 5.075 4.277 -19.464 1.00 0.00 C ATOM 492 CG PRO A 29 4.906 5.637 -20.057 1.00 0.00 C ATOM 493 CD PRO A 29 6.175 6.380 -19.767 1.00 0.00 C ATOM 0 HA PRO A 29 5.619 4.317 -17.327 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.449 3.571 -20.206 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.123 3.887 -19.104 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.728 5.574 -21.131 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.047 6.148 -19.621 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.915 6.240 -20.555 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.005 7.453 -19.677 1.00 0.00 H new ATOM 501 N GLN A 30 7.002 2.269 -17.717 1.00 0.00 N ATOM 502 CA GLN A 30 7.997 1.215 -17.735 1.00 0.00 C ATOM 503 C GLN A 30 7.347 -0.101 -18.146 1.00 0.00 C ATOM 504 O GLN A 30 7.148 -0.985 -17.315 1.00 0.00 O ATOM 505 CB GLN A 30 8.657 1.057 -16.359 1.00 0.00 C ATOM 506 CG GLN A 30 9.184 2.355 -15.765 1.00 0.00 C ATOM 507 CD GLN A 30 9.939 2.136 -14.467 1.00 0.00 C ATOM 508 OE1 GLN A 30 11.159 1.957 -14.472 1.00 0.00 O ATOM 509 NE2 GLN A 30 9.224 2.134 -13.353 1.00 0.00 N ATOM 0 H GLN A 30 6.183 2.070 -17.143 1.00 0.00 H new ATOM 0 HA GLN A 30 8.768 1.485 -18.457 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.933 0.623 -15.669 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.481 0.349 -16.443 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.841 2.840 -16.486 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.350 3.034 -15.586 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.216 2.286 -13.394 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.681 1.980 -12.454 1.00 0.00 H new ATOM 518 N PRO A 31 6.987 -0.250 -19.433 1.00 0.00 N ATOM 519 CA PRO A 31 6.347 -1.469 -19.929 1.00 0.00 C ATOM 520 C PRO A 31 7.209 -2.693 -19.665 1.00 0.00 C ATOM 521 O PRO A 31 6.706 -3.754 -19.312 1.00 0.00 O ATOM 522 CB PRO A 31 6.202 -1.225 -21.434 1.00 0.00 C ATOM 523 CG PRO A 31 6.251 0.254 -21.586 1.00 0.00 C ATOM 524 CD PRO A 31 7.167 0.748 -20.504 1.00 0.00 C ATOM 0 HA PRO A 31 5.394 -1.665 -19.437 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.005 -1.707 -21.992 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.263 -1.631 -21.812 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.624 0.533 -22.571 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.257 0.690 -21.486 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.202 0.794 -20.842 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.895 1.750 -20.172 1.00 0.00 H new ATOM 532 N HIS A 32 8.519 -2.514 -19.799 1.00 0.00 N ATOM 533 CA HIS A 32 9.474 -3.588 -19.558 1.00 0.00 C ATOM 534 C HIS A 32 9.389 -4.066 -18.107 1.00 0.00 C ATOM 535 O HIS A 32 9.677 -5.223 -17.814 1.00 0.00 O ATOM 536 CB HIS A 32 10.896 -3.111 -19.882 1.00 0.00 C ATOM 537 CG HIS A 32 11.934 -4.198 -19.875 1.00 0.00 C ATOM 538 ND1 HIS A 32 12.467 -4.730 -21.028 1.00 0.00 N ATOM 539 CD2 HIS A 32 12.548 -4.840 -18.851 1.00 0.00 C ATOM 540 CE1 HIS A 32 13.358 -5.652 -20.715 1.00 0.00 C ATOM 541 NE2 HIS A 32 13.429 -5.737 -19.401 1.00 0.00 N ATOM 0 H HIS A 32 8.945 -1.629 -20.075 1.00 0.00 H new ATOM 0 HA HIS A 32 9.228 -4.426 -20.210 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.892 -2.636 -20.863 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.183 -2.347 -19.159 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.376 -4.676 -17.798 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.932 -6.238 -21.417 1.00 0.00 H new ATOM 0 HE2 HIS A 32 14.039 -6.366 -18.879 1.00 0.00 H new ATOM 550 N GLN A 33 8.972 -3.179 -17.204 1.00 0.00 N ATOM 551 CA GLN A 33 8.883 -3.529 -15.792 1.00 0.00 C ATOM 552 C GLN A 33 7.632 -4.361 -15.530 1.00 0.00 C ATOM 553 O GLN A 33 7.696 -5.414 -14.896 1.00 0.00 O ATOM 554 CB GLN A 33 8.889 -2.260 -14.928 1.00 0.00 C ATOM 555 CG GLN A 33 8.721 -2.522 -13.439 1.00 0.00 C ATOM 556 CD GLN A 33 7.366 -2.082 -12.923 1.00 0.00 C ATOM 557 OE1 GLN A 33 6.403 -2.841 -12.954 1.00 0.00 O ATOM 558 NE2 GLN A 33 7.285 -0.853 -12.440 1.00 0.00 N ATOM 0 H GLN A 33 8.694 -2.223 -17.424 1.00 0.00 H new ATOM 0 HA GLN A 33 9.752 -4.129 -15.522 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.827 -1.728 -15.089 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.088 -1.601 -15.263 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.853 -3.586 -13.243 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.503 -1.998 -12.890 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.110 -0.253 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.398 -0.506 -12.075 1.00 0.00 H new ATOM 567 N PHE A 34 6.505 -3.908 -16.066 1.00 0.00 N ATOM 568 CA PHE A 34 5.222 -4.569 -15.839 1.00 0.00 C ATOM 569 C PHE A 34 5.102 -5.874 -16.629 1.00 0.00 C ATOM 570 O PHE A 34 4.116 -6.601 -16.497 1.00 0.00 O ATOM 571 CB PHE A 34 4.068 -3.631 -16.199 1.00 0.00 C ATOM 572 CG PHE A 34 3.958 -2.439 -15.291 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.203 -2.503 -14.132 1.00 0.00 C ATOM 574 CD2 PHE A 34 4.611 -1.256 -15.595 1.00 0.00 C ATOM 575 CE1 PHE A 34 3.100 -1.409 -13.295 1.00 0.00 C ATOM 576 CE2 PHE A 34 4.511 -0.158 -14.763 1.00 0.00 C ATOM 577 CZ PHE A 34 3.755 -0.235 -13.611 1.00 0.00 C ATOM 0 H PHE A 34 6.452 -3.083 -16.663 1.00 0.00 H new ATOM 0 HA PHE A 34 5.169 -4.818 -14.779 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.198 -3.286 -17.225 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.133 -4.190 -16.167 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.689 -3.419 -13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.206 -1.191 -16.494 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.508 -1.472 -12.394 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.023 0.759 -15.014 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.676 0.621 -12.958 1.00 0.00 H new ATOM 587 N ASN A 35 6.098 -6.165 -17.460 1.00 0.00 N ATOM 588 CA ASN A 35 6.133 -7.432 -18.185 1.00 0.00 C ATOM 589 C ASN A 35 6.572 -8.555 -17.268 1.00 0.00 C ATOM 590 O ASN A 35 6.321 -9.728 -17.544 1.00 0.00 O ATOM 591 CB ASN A 35 7.057 -7.358 -19.403 1.00 0.00 C ATOM 592 CG ASN A 35 6.488 -6.501 -20.514 1.00 0.00 C ATOM 593 OD1 ASN A 35 5.272 -6.355 -20.645 1.00 0.00 O ATOM 594 ND2 ASN A 35 7.360 -5.947 -21.339 1.00 0.00 N ATOM 0 H ASN A 35 6.887 -5.546 -17.648 1.00 0.00 H new ATOM 0 HA ASN A 35 5.123 -7.635 -18.541 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.023 -6.956 -19.098 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.235 -8.365 -19.781 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.033 -5.375 -22.118 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.360 -6.092 -21.197 1.00 0.00 H new ATOM 601 N SER A 36 7.219 -8.198 -16.173 1.00 0.00 N ATOM 602 CA SER A 36 7.589 -9.174 -15.176 1.00 0.00 C ATOM 603 C SER A 36 6.335 -9.596 -14.428 1.00 0.00 C ATOM 604 O SER A 36 5.747 -8.815 -13.684 1.00 0.00 O ATOM 605 CB SER A 36 8.631 -8.598 -14.220 1.00 0.00 C ATOM 606 OG SER A 36 9.187 -9.607 -13.399 1.00 0.00 O ATOM 0 H SER A 36 7.496 -7.241 -15.956 1.00 0.00 H new ATOM 0 HA SER A 36 8.037 -10.044 -15.656 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.423 -8.113 -14.791 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.172 -7.831 -13.597 1.00 0.00 H new ATOM 0 HG SER A 36 8.863 -10.484 -13.694 1.00 0.00 H new ATOM 612 N THR A 37 5.916 -10.828 -14.648 1.00 0.00 N ATOM 613 CA THR A 37 4.646 -11.305 -14.129 1.00 0.00 C ATOM 614 C THR A 37 4.809 -11.888 -12.725 1.00 0.00 C ATOM 615 O THR A 37 3.908 -12.544 -12.197 1.00 0.00 O ATOM 616 CB THR A 37 4.029 -12.346 -15.095 1.00 0.00 C ATOM 617 OG1 THR A 37 2.731 -12.761 -14.644 1.00 0.00 O ATOM 618 CG2 THR A 37 4.932 -13.564 -15.229 1.00 0.00 C ATOM 0 H THR A 37 6.439 -11.520 -15.185 1.00 0.00 H new ATOM 0 HA THR A 37 3.965 -10.457 -14.055 1.00 0.00 H new ATOM 0 HB THR A 37 3.929 -11.868 -16.069 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.682 -12.680 -13.669 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.477 -14.281 -15.913 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.902 -13.256 -15.619 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.064 -14.028 -14.252 1.00 0.00 H new ATOM 626 N GLN A 38 5.958 -11.625 -12.121 1.00 0.00 N ATOM 627 CA GLN A 38 6.239 -12.072 -10.766 1.00 0.00 C ATOM 628 C GLN A 38 5.862 -10.977 -9.770 1.00 0.00 C ATOM 629 O GLN A 38 5.805 -9.798 -10.131 1.00 0.00 O ATOM 630 CB GLN A 38 7.724 -12.421 -10.628 1.00 0.00 C ATOM 631 CG GLN A 38 8.641 -11.229 -10.843 1.00 0.00 C ATOM 632 CD GLN A 38 10.104 -11.607 -10.837 1.00 0.00 C ATOM 633 OE1 GLN A 38 10.674 -11.936 -11.875 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.722 -11.566 -9.670 1.00 0.00 N ATOM 0 H GLN A 38 6.717 -11.099 -12.553 1.00 0.00 H new ATOM 0 HA GLN A 38 5.647 -12.962 -10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.903 -12.834 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.976 -13.200 -11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.397 -10.755 -11.794 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.458 -10.490 -10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.212 -11.287 -8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.710 -11.813 -9.607 1.00 0.00 H new ATOM 643 N PRO A 39 5.592 -11.346 -8.508 1.00 0.00 N ATOM 644 CA PRO A 39 5.231 -10.383 -7.466 1.00 0.00 C ATOM 645 C PRO A 39 6.362 -9.402 -7.166 1.00 0.00 C ATOM 646 O PRO A 39 7.538 -9.777 -7.160 1.00 0.00 O ATOM 647 CB PRO A 39 4.942 -11.254 -6.236 1.00 0.00 C ATOM 648 CG PRO A 39 4.749 -12.635 -6.767 1.00 0.00 C ATOM 649 CD PRO A 39 5.606 -12.725 -7.996 1.00 0.00 C ATOM 0 HA PRO A 39 4.385 -9.766 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.768 -11.218 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.053 -10.908 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.043 -13.382 -6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.702 -12.819 -7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.617 -13.058 -7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.199 -13.429 -8.721 1.00 0.00 H new ATOM 657 N PHE A 40 5.989 -8.137 -6.959 1.00 0.00 N ATOM 658 CA PHE A 40 6.914 -7.074 -6.532 1.00 0.00 C ATOM 659 C PHE A 40 7.890 -6.659 -7.633 1.00 0.00 C ATOM 660 O PHE A 40 8.675 -5.728 -7.439 1.00 0.00 O ATOM 661 CB PHE A 40 7.699 -7.486 -5.281 1.00 0.00 C ATOM 662 CG PHE A 40 6.842 -7.740 -4.073 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.353 -6.687 -3.317 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.534 -9.034 -3.690 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.573 -6.922 -2.202 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.756 -9.274 -2.577 1.00 0.00 C ATOM 667 CZ PHE A 40 5.275 -8.219 -1.832 1.00 0.00 C ATOM 0 H PHE A 40 5.029 -7.815 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 40 6.288 -6.212 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.270 -8.388 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.420 -6.703 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.584 -5.672 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.907 -9.865 -4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.197 -6.093 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.524 -10.289 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.666 -8.406 -0.960 1.00 0.00 H new ATOM 677 N PHE A 41 7.835 -7.340 -8.779 1.00 0.00 N ATOM 678 CA PHE A 41 8.733 -7.055 -9.902 1.00 0.00 C ATOM 679 C PHE A 41 10.191 -7.125 -9.446 1.00 0.00 C ATOM 680 O PHE A 41 11.030 -6.337 -9.883 1.00 0.00 O ATOM 681 CB PHE A 41 8.429 -5.673 -10.500 1.00 0.00 C ATOM 682 CG PHE A 41 6.992 -5.490 -10.909 1.00 0.00 C ATOM 683 CD1 PHE A 41 6.481 -6.132 -12.026 1.00 0.00 C ATOM 684 CD2 PHE A 41 6.148 -4.675 -10.172 1.00 0.00 C ATOM 685 CE1 PHE A 41 5.162 -5.965 -12.399 1.00 0.00 C ATOM 686 CE2 PHE A 41 4.828 -4.505 -10.540 1.00 0.00 C ATOM 687 CZ PHE A 41 4.334 -5.151 -11.656 1.00 0.00 C ATOM 0 H PHE A 41 7.175 -8.097 -8.955 1.00 0.00 H new ATOM 0 HA PHE A 41 8.570 -7.808 -10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.690 -4.906 -9.770 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.067 -5.515 -11.369 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.123 -6.772 -12.613 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.527 -4.166 -9.298 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.779 -6.472 -13.272 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.182 -3.867 -9.955 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.302 -5.019 -11.946 1.00 0.00 H new ATOM 697 N MET A 42 10.478 -8.097 -8.584 1.00 0.00 N ATOM 698 CA MET A 42 11.790 -8.234 -7.941 1.00 0.00 C ATOM 699 C MET A 42 12.944 -8.200 -8.947 1.00 0.00 C ATOM 700 O MET A 42 13.986 -7.598 -8.688 1.00 0.00 O ATOM 701 CB MET A 42 11.848 -9.547 -7.155 1.00 0.00 C ATOM 702 CG MET A 42 10.717 -9.711 -6.155 1.00 0.00 C ATOM 703 SD MET A 42 10.717 -11.334 -5.366 1.00 0.00 S ATOM 704 CE MET A 42 9.213 -11.237 -4.400 1.00 0.00 C ATOM 0 H MET A 42 9.808 -8.815 -8.308 1.00 0.00 H new ATOM 0 HA MET A 42 11.908 -7.381 -7.272 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.825 -10.381 -7.856 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.799 -9.602 -6.626 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.799 -8.939 -5.390 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.764 -9.558 -6.662 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.259 -11.955 -3.581 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.105 -10.231 -3.994 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.357 -11.465 -5.035 1.00 0.00 H new ATOM 714 N ASP A 43 12.743 -8.827 -10.098 1.00 0.00 N ATOM 715 CA ASP A 43 13.814 -8.985 -11.076 1.00 0.00 C ATOM 716 C ASP A 43 13.738 -7.941 -12.185 1.00 0.00 C ATOM 717 O ASP A 43 14.244 -8.157 -13.285 1.00 0.00 O ATOM 718 CB ASP A 43 13.776 -10.393 -11.678 1.00 0.00 C ATOM 719 CG ASP A 43 14.190 -11.458 -10.681 1.00 0.00 C ATOM 720 OD1 ASP A 43 13.352 -11.862 -9.846 1.00 0.00 O ATOM 721 OD2 ASP A 43 15.355 -11.900 -10.725 1.00 0.00 O ATOM 0 H ASP A 43 11.851 -9.234 -10.378 1.00 0.00 H new ATOM 0 HA ASP A 43 14.758 -8.838 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.768 -10.606 -12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.437 -10.433 -12.544 1.00 0.00 H new ATOM 726 N THR A 44 13.112 -6.807 -11.905 1.00 0.00 N ATOM 727 CA THR A 44 13.100 -5.712 -12.866 1.00 0.00 C ATOM 728 C THR A 44 14.127 -4.657 -12.481 1.00 0.00 C ATOM 729 O THR A 44 15.059 -4.372 -13.238 1.00 0.00 O ATOM 730 CB THR A 44 11.713 -5.049 -12.985 1.00 0.00 C ATOM 731 OG1 THR A 44 11.289 -4.540 -11.713 1.00 0.00 O ATOM 732 CG2 THR A 44 10.686 -6.033 -13.511 1.00 0.00 C ATOM 0 H THR A 44 12.613 -6.621 -11.035 1.00 0.00 H new ATOM 0 HA THR A 44 13.351 -6.143 -13.835 1.00 0.00 H new ATOM 0 HB THR A 44 11.797 -4.222 -13.690 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.197 -5.281 -11.078 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.716 -5.541 -13.586 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.991 -6.386 -14.496 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.612 -6.880 -12.829 1.00 0.00 H new ATOM 740 N MET A 45 13.952 -4.086 -11.297 1.00 0.00 N ATOM 741 CA MET A 45 14.832 -3.037 -10.808 1.00 0.00 C ATOM 742 C MET A 45 14.772 -2.967 -9.285 1.00 0.00 C ATOM 743 O MET A 45 15.730 -3.331 -8.604 1.00 0.00 O ATOM 744 CB MET A 45 14.435 -1.689 -11.418 1.00 0.00 C ATOM 745 CG MET A 45 15.366 -0.545 -11.043 1.00 0.00 C ATOM 746 SD MET A 45 14.931 1.007 -11.858 1.00 0.00 S ATOM 747 CE MET A 45 13.268 1.262 -11.245 1.00 0.00 C ATOM 0 H MET A 45 13.201 -4.336 -10.653 1.00 0.00 H new ATOM 0 HA MET A 45 15.855 -3.268 -11.106 1.00 0.00 H new ATOM 0 HB2 MET A 45 14.412 -1.785 -12.504 1.00 0.00 H new ATOM 0 HB3 MET A 45 13.423 -1.441 -11.099 1.00 0.00 H new ATOM 0 HG2 MET A 45 15.342 -0.402 -9.963 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.389 -0.814 -11.306 1.00 0.00 H new ATOM 0 HE1 MET A 45 12.983 2.304 -11.388 1.00 0.00 H new ATOM 0 HE2 MET A 45 12.577 0.619 -11.790 1.00 0.00 H new ATOM 0 HE3 MET A 45 13.230 1.018 -10.183 1.00 0.00 H new ATOM 757 N GLU A 46 13.641 -2.511 -8.757 1.00 0.00 N ATOM 758 CA GLU A 46 13.457 -2.405 -7.315 1.00 0.00 C ATOM 759 C GLU A 46 12.073 -2.912 -6.922 1.00 0.00 C ATOM 760 O GLU A 46 11.126 -2.794 -7.694 1.00 0.00 O ATOM 761 CB GLU A 46 13.630 -0.954 -6.848 1.00 0.00 C ATOM 762 CG GLU A 46 14.961 -0.339 -7.236 1.00 0.00 C ATOM 763 CD GLU A 46 15.239 0.954 -6.501 1.00 0.00 C ATOM 764 OE1 GLU A 46 14.485 1.930 -6.690 1.00 0.00 O ATOM 765 OE2 GLU A 46 16.219 0.994 -5.726 1.00 0.00 O ATOM 0 H GLU A 46 12.837 -2.209 -9.307 1.00 0.00 H new ATOM 0 HA GLU A 46 14.216 -3.019 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.826 -0.349 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.526 -0.917 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.760 -1.050 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.972 -0.152 -8.310 1.00 0.00 H new ATOM 772 N PRO A 47 11.941 -3.488 -5.715 1.00 0.00 N ATOM 773 CA PRO A 47 10.661 -4.013 -5.215 1.00 0.00 C ATOM 774 C PRO A 47 9.615 -2.918 -4.995 1.00 0.00 C ATOM 775 O PRO A 47 8.424 -3.201 -4.853 1.00 0.00 O ATOM 776 CB PRO A 47 11.031 -4.667 -3.876 1.00 0.00 C ATOM 777 CG PRO A 47 12.513 -4.830 -3.909 1.00 0.00 C ATOM 778 CD PRO A 47 13.031 -3.701 -4.750 1.00 0.00 C ATOM 0 HA PRO A 47 10.208 -4.698 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.723 -4.044 -3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.533 -5.629 -3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.933 -4.793 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.791 -5.794 -4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.225 -2.809 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.966 -3.962 -5.246 1.00 0.00 H new ATOM 786 N LEU A 48 10.062 -1.667 -4.977 1.00 0.00 N ATOM 787 CA LEU A 48 9.172 -0.531 -4.743 1.00 0.00 C ATOM 788 C LEU A 48 8.312 -0.231 -5.966 1.00 0.00 C ATOM 789 O LEU A 48 7.320 0.490 -5.870 1.00 0.00 O ATOM 790 CB LEU A 48 9.977 0.716 -4.361 1.00 0.00 C ATOM 791 CG LEU A 48 10.562 0.708 -2.949 1.00 0.00 C ATOM 792 CD1 LEU A 48 11.393 1.958 -2.715 1.00 0.00 C ATOM 793 CD2 LEU A 48 9.451 0.617 -1.917 1.00 0.00 C ATOM 0 H LEU A 48 11.039 -1.411 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 48 8.512 -0.801 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.793 0.834 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.334 1.590 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 48 11.207 -0.165 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.803 1.938 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.209 1.993 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.764 2.840 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.883 0.612 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.787 1.475 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.885 -0.301 -2.072 1.00 0.00 H new ATOM 805 N GLU A 49 8.681 -0.802 -7.104 1.00 0.00 N ATOM 806 CA GLU A 49 7.975 -0.539 -8.350 1.00 0.00 C ATOM 807 C GLU A 49 6.610 -1.221 -8.363 1.00 0.00 C ATOM 808 O GLU A 49 5.751 -0.913 -9.190 1.00 0.00 O ATOM 809 CB GLU A 49 8.819 -0.998 -9.536 1.00 0.00 C ATOM 810 CG GLU A 49 10.180 -0.318 -9.604 1.00 0.00 C ATOM 811 CD GLU A 49 10.077 1.195 -9.654 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.037 1.832 -8.574 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.048 1.750 -10.771 1.00 0.00 O ATOM 0 H GLU A 49 9.464 -1.450 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 49 7.809 0.535 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.962 -2.077 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.275 -0.800 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.771 -0.609 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.714 -0.671 -10.486 1.00 0.00 H new ATOM 820 N TRP A 50 6.405 -2.140 -7.429 1.00 0.00 N ATOM 821 CA TRP A 50 5.118 -2.800 -7.284 1.00 0.00 C ATOM 822 C TRP A 50 4.116 -1.843 -6.642 1.00 0.00 C ATOM 823 O TRP A 50 2.915 -1.883 -6.924 1.00 0.00 O ATOM 824 CB TRP A 50 5.271 -4.066 -6.441 1.00 0.00 C ATOM 825 CG TRP A 50 4.034 -4.907 -6.397 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.563 -5.718 -7.386 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.114 -5.020 -5.309 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.403 -6.328 -6.981 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.104 -5.913 -5.708 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.047 -4.449 -4.037 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.038 -6.248 -4.878 1.00 0.00 C ATOM 832 CZ3 TRP A 50 1.990 -4.782 -3.214 1.00 0.00 C ATOM 833 CH2 TRP A 50 0.998 -5.673 -3.638 1.00 0.00 C ATOM 0 H TRP A 50 7.114 -2.444 -6.762 1.00 0.00 H new ATOM 0 HA TRP A 50 4.746 -3.085 -8.268 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.092 -4.662 -6.840 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.546 -3.785 -5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.034 -5.860 -8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.852 -6.983 -7.536 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.808 -3.759 -3.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.271 -6.936 -5.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.928 -4.348 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.183 -5.912 -2.971 1.00 0.00 H new ATOM 844 N LEU A 51 4.629 -0.961 -5.794 1.00 0.00 N ATOM 845 CA LEU A 51 3.803 0.043 -5.137 1.00 0.00 C ATOM 846 C LEU A 51 3.496 1.180 -6.104 1.00 0.00 C ATOM 847 O LEU A 51 2.509 1.895 -5.945 1.00 0.00 O ATOM 848 CB LEU A 51 4.522 0.609 -3.908 1.00 0.00 C ATOM 849 CG LEU A 51 5.018 -0.421 -2.893 1.00 0.00 C ATOM 850 CD1 LEU A 51 5.738 0.269 -1.745 1.00 0.00 C ATOM 851 CD2 LEU A 51 3.866 -1.259 -2.364 1.00 0.00 C ATOM 0 H LEU A 51 5.617 -0.921 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 51 2.874 -0.431 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.375 1.196 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.845 1.296 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 51 5.720 -1.084 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.085 -0.478 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.592 0.824 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.054 0.956 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.244 -1.984 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.138 -0.610 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.388 -1.784 -3.191 1.00 0.00 H new ATOM 863 N GLN A 52 4.352 1.308 -7.115 1.00 0.00 N ATOM 864 CA GLN A 52 4.306 2.417 -8.063 1.00 0.00 C ATOM 865 C GLN A 52 2.938 2.559 -8.727 1.00 0.00 C ATOM 866 O GLN A 52 2.255 3.562 -8.544 1.00 0.00 O ATOM 867 CB GLN A 52 5.378 2.220 -9.138 1.00 0.00 C ATOM 868 CG GLN A 52 5.499 3.391 -10.095 1.00 0.00 C ATOM 869 CD GLN A 52 6.475 3.131 -11.225 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.619 2.005 -11.701 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.171 4.173 -11.647 1.00 0.00 N ATOM 0 H GLN A 52 5.101 0.641 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 52 4.495 3.332 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.341 2.056 -8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.149 1.319 -9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.518 3.615 -10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.818 4.274 -9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.022 5.090 -11.226 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.857 4.060 -12.393 1.00 0.00 H new ATOM 880 N TRP A 53 2.538 1.558 -9.498 1.00 0.00 N ATOM 881 CA TRP A 53 1.324 1.675 -10.288 1.00 0.00 C ATOM 882 C TRP A 53 0.440 0.439 -10.138 1.00 0.00 C ATOM 883 O TRP A 53 -0.557 0.284 -10.847 1.00 0.00 O ATOM 884 CB TRP A 53 1.701 1.901 -11.759 1.00 0.00 C ATOM 885 CG TRP A 53 0.592 2.459 -12.602 1.00 0.00 C ATOM 886 CD1 TRP A 53 -0.077 1.818 -13.604 1.00 0.00 C ATOM 887 CD2 TRP A 53 0.033 3.774 -12.520 1.00 0.00 C ATOM 888 NE1 TRP A 53 -1.019 2.653 -14.150 1.00 0.00 N ATOM 889 CE2 TRP A 53 -0.973 3.860 -13.501 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.283 4.889 -11.712 1.00 0.00 C ATOM 891 CZ2 TRP A 53 -1.727 5.014 -13.696 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -0.469 6.033 -11.905 1.00 0.00 C ATOM 893 CH2 TRP A 53 -1.462 6.088 -12.890 1.00 0.00 C ATOM 0 H TRP A 53 3.029 0.669 -9.592 1.00 0.00 H new ATOM 0 HA TRP A 53 0.748 2.527 -9.925 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.552 2.580 -11.803 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.026 0.953 -12.188 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.108 0.802 -13.921 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.651 2.415 -14.914 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.049 4.856 -10.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.493 5.060 -14.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.287 6.899 -11.285 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.031 6.997 -13.017 1.00 0.00 H new ATOM 904 N VAL A 54 0.781 -0.439 -9.206 1.00 0.00 N ATOM 905 CA VAL A 54 -0.012 -1.642 -9.010 1.00 0.00 C ATOM 906 C VAL A 54 -0.837 -1.573 -7.731 1.00 0.00 C ATOM 907 O VAL A 54 -2.052 -1.438 -7.798 1.00 0.00 O ATOM 908 CB VAL A 54 0.842 -2.924 -8.990 1.00 0.00 C ATOM 909 CG1 VAL A 54 -0.052 -4.150 -8.853 1.00 0.00 C ATOM 910 CG2 VAL A 54 1.695 -3.019 -10.243 1.00 0.00 C ATOM 0 H VAL A 54 1.585 -0.344 -8.585 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.681 -1.690 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 54 1.509 -2.884 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.563 -5.050 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.619 -4.085 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.741 -4.194 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.291 -3.931 -10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.050 -3.039 -11.122 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.357 -2.155 -10.299 1.00 0.00 H new ATOM 920 N LEU A 55 -0.174 -1.647 -6.574 1.00 0.00 N ATOM 921 CA LEU A 55 -0.874 -1.773 -5.293 1.00 0.00 C ATOM 922 C LEU A 55 -1.975 -0.728 -5.121 1.00 0.00 C ATOM 923 O LEU A 55 -3.141 -1.079 -4.964 1.00 0.00 O ATOM 924 CB LEU A 55 0.104 -1.685 -4.118 1.00 0.00 C ATOM 925 CG LEU A 55 -0.542 -1.858 -2.737 1.00 0.00 C ATOM 926 CD1 LEU A 55 -1.196 -3.224 -2.611 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.480 -1.658 -1.633 1.00 0.00 C ATOM 0 H LEU A 55 0.843 -1.622 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.344 -2.756 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.872 -2.448 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.606 -0.718 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.315 -1.096 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.647 -3.322 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.967 -3.330 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.444 -4.001 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.002 -1.786 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.280 -2.391 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.897 -0.653 -1.701 1.00 0.00 H new ATOM 939 N ILE A 56 -1.609 0.548 -5.169 1.00 0.00 N ATOM 940 CA ILE A 56 -2.571 1.616 -4.913 1.00 0.00 C ATOM 941 C ILE A 56 -3.742 1.594 -5.912 1.00 0.00 C ATOM 942 O ILE A 56 -4.895 1.503 -5.492 1.00 0.00 O ATOM 943 CB ILE A 56 -1.904 3.014 -4.897 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.752 3.034 -3.888 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.927 4.088 -4.554 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.000 4.346 -3.847 1.00 0.00 C ATOM 0 H ILE A 56 -0.664 0.867 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.973 1.424 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.506 3.223 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.147 2.821 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.054 2.233 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.442 5.064 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.723 4.084 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.350 3.886 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.800 4.284 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.426 4.552 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.684 5.149 -3.573 1.00 0.00 H new ATOM 958 N PRO A 57 -3.488 1.649 -7.242 1.00 0.00 N ATOM 959 CA PRO A 57 -4.569 1.678 -8.235 1.00 0.00 C ATOM 960 C PRO A 57 -5.369 0.374 -8.292 1.00 0.00 C ATOM 961 O PRO A 57 -6.595 0.399 -8.362 1.00 0.00 O ATOM 962 CB PRO A 57 -3.847 1.910 -9.570 1.00 0.00 C ATOM 963 CG PRO A 57 -2.478 2.369 -9.202 1.00 0.00 C ATOM 964 CD PRO A 57 -2.169 1.697 -7.897 1.00 0.00 C ATOM 0 HA PRO A 57 -5.300 2.448 -7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.809 0.995 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.364 2.657 -10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.752 2.093 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.441 3.454 -9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.752 0.701 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.445 2.263 -7.311 1.00 0.00 H new ATOM 972 N ARG A 58 -4.677 -0.761 -8.236 1.00 0.00 N ATOM 973 CA ARG A 58 -5.325 -2.055 -8.434 1.00 0.00 C ATOM 974 C ARG A 58 -6.155 -2.449 -7.215 1.00 0.00 C ATOM 975 O ARG A 58 -7.182 -3.116 -7.341 1.00 0.00 O ATOM 976 CB ARG A 58 -4.292 -3.138 -8.740 1.00 0.00 C ATOM 977 CG ARG A 58 -4.909 -4.413 -9.281 1.00 0.00 C ATOM 978 CD ARG A 58 -3.847 -5.407 -9.708 1.00 0.00 C ATOM 979 NE ARG A 58 -4.429 -6.562 -10.383 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.806 -7.264 -11.329 1.00 0.00 C ATOM 981 NH1 ARG A 58 -2.579 -6.928 -11.714 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.419 -8.286 -11.908 1.00 0.00 N ATOM 0 H ARG A 58 -3.674 -0.812 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.996 -1.961 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.574 -2.753 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.735 -3.368 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.544 -4.863 -8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.550 -4.176 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.136 -4.917 -10.373 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.288 -5.740 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.370 -6.850 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.110 -6.130 -11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.106 -7.468 -12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.368 -8.536 -11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.942 -8.823 -12.632 1.00 0.00 H new ATOM 996 N MET A 59 -5.716 -2.029 -6.034 1.00 0.00 N ATOM 997 CA MET A 59 -6.457 -2.320 -4.811 1.00 0.00 C ATOM 998 C MET A 59 -7.740 -1.503 -4.751 1.00 0.00 C ATOM 999 O MET A 59 -8.651 -1.825 -3.992 1.00 0.00 O ATOM 1000 CB MET A 59 -5.604 -2.065 -3.571 1.00 0.00 C ATOM 1001 CG MET A 59 -5.230 -3.335 -2.826 1.00 0.00 C ATOM 1002 SD MET A 59 -4.411 -4.548 -3.883 1.00 0.00 S ATOM 1003 CE MET A 59 -4.177 -5.897 -2.729 1.00 0.00 C ATOM 0 H MET A 59 -4.860 -1.491 -5.897 1.00 0.00 H new ATOM 0 HA MET A 59 -6.719 -3.378 -4.827 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.693 -1.544 -3.866 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.146 -1.403 -2.896 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.573 -3.083 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.129 -3.779 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.681 -6.726 -3.234 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.562 -5.560 -1.895 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.146 -6.228 -2.355 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.816 -0.454 -5.562 1.00 0.00 N ATOM 1014 CA HIS A 60 -9.051 0.307 -5.696 1.00 0.00 C ATOM 1015 C HIS A 60 -10.125 -0.558 -6.338 1.00 0.00 C ATOM 1016 O HIS A 60 -11.288 -0.491 -5.962 1.00 0.00 O ATOM 1017 CB HIS A 60 -8.839 1.586 -6.507 1.00 0.00 C ATOM 1018 CG HIS A 60 -8.477 2.767 -5.666 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -9.404 3.472 -4.936 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -7.286 3.367 -5.438 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -8.801 4.457 -4.298 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -7.512 4.418 -4.584 1.00 0.00 N ATOM 0 H HIS A 60 -7.042 -0.113 -6.133 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.376 0.602 -4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.051 1.416 -7.241 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.749 1.810 -7.063 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -10.402 3.266 -4.894 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.333 3.073 -5.852 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.281 5.175 -3.650 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.724 -1.394 -7.288 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.645 -2.346 -7.901 1.00 0.00 C ATOM 1033 C ASP A 61 -11.168 -3.319 -6.851 1.00 0.00 C ATOM 1034 O ASP A 61 -12.317 -3.748 -6.897 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.957 -3.129 -9.026 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.633 -2.274 -10.231 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -8.611 -1.566 -10.206 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.394 -2.322 -11.221 1.00 0.00 O ATOM 0 H ASP A 61 -8.771 -1.433 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.477 -1.785 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.037 -3.571 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.601 -3.952 -9.335 1.00 0.00 H new ATOM 1043 N LEU A 62 -10.315 -3.649 -5.897 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.674 -4.562 -4.821 1.00 0.00 C ATOM 1045 C LEU A 62 -11.599 -3.872 -3.812 1.00 0.00 C ATOM 1046 O LEU A 62 -12.622 -4.422 -3.406 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.397 -5.054 -4.125 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.590 -6.092 -3.014 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -10.084 -7.413 -3.585 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.289 -6.296 -2.253 1.00 0.00 C ATOM 0 H LEU A 62 -9.360 -3.295 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.209 -5.414 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.737 -5.480 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.883 -4.191 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.346 -5.718 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.213 -8.133 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.038 -7.258 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.355 -7.796 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.440 -7.036 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.518 -6.647 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.976 -5.352 -1.808 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.242 -2.651 -3.436 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.964 -1.913 -2.401 1.00 0.00 C ATOM 1064 C LEU A 63 -13.263 -1.306 -2.923 1.00 0.00 C ATOM 1065 O LEU A 63 -14.325 -1.515 -2.339 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.072 -0.807 -1.840 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.791 -1.292 -1.172 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.872 -0.122 -0.887 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.112 -2.044 0.107 1.00 0.00 C ATOM 0 H LEU A 63 -10.451 -2.145 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.224 -2.623 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.807 -0.128 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.646 -0.230 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.280 -1.975 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.961 -0.483 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.619 0.378 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.374 0.582 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.186 -2.384 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.642 -1.384 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.739 -2.905 -0.125 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.172 -0.567 -4.023 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.316 0.172 -4.557 1.00 0.00 C ATOM 1083 C ASP A 64 -15.412 -0.768 -5.054 1.00 0.00 C ATOM 1084 O ASP A 64 -16.579 -0.380 -5.146 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.876 1.121 -5.681 1.00 0.00 C ATOM 1086 CG ASP A 64 -13.176 2.370 -5.161 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -13.869 3.299 -4.694 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -11.928 2.442 -5.233 1.00 0.00 O ATOM 0 H ASP A 64 -12.315 -0.462 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.730 0.764 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.206 0.590 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.749 1.416 -6.264 1.00 0.00 H new ATOM 1093 N ASN A 65 -15.043 -2.008 -5.362 1.00 0.00 N ATOM 1094 CA ASN A 65 -16.022 -3.009 -5.779 1.00 0.00 C ATOM 1095 C ASN A 65 -16.485 -3.844 -4.591 1.00 0.00 C ATOM 1096 O ASN A 65 -17.146 -4.869 -4.761 1.00 0.00 O ATOM 1097 CB ASN A 65 -15.467 -3.919 -6.881 1.00 0.00 C ATOM 1098 CG ASN A 65 -15.365 -3.213 -8.220 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -16.334 -3.149 -8.976 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -14.189 -2.696 -8.532 1.00 0.00 N ATOM 0 H ASN A 65 -14.080 -2.343 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.879 -2.472 -6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.481 -4.280 -6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.109 -4.794 -6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.061 -2.223 -9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.410 -2.770 -7.878 1.00 0.00 H new ATOM 1107 N LYS A 66 -16.122 -3.396 -3.387 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.609 -3.992 -2.140 1.00 0.00 C ATOM 1109 C LYS A 66 -16.185 -5.454 -2.007 1.00 0.00 C ATOM 1110 O LYS A 66 -16.851 -6.241 -1.334 1.00 0.00 O ATOM 1111 CB LYS A 66 -18.136 -3.891 -2.078 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.667 -2.474 -2.202 1.00 0.00 C ATOM 1113 CD LYS A 66 -20.168 -2.477 -2.416 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.719 -1.071 -2.578 1.00 0.00 C ATOM 1115 NZ LYS A 66 -22.157 -1.091 -2.944 1.00 0.00 N ATOM 0 H LYS A 66 -15.484 -2.612 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.166 -3.438 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.563 -4.499 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.480 -4.316 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.425 -1.910 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.178 -1.969 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.407 -3.065 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.655 -2.963 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.586 -0.517 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.154 -0.544 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.503 -0.116 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.279 -1.598 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.698 -1.573 -2.198 1.00 0.00 H new ATOM 1129 N GLN A 67 -15.072 -5.811 -2.623 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.613 -7.191 -2.614 1.00 0.00 C ATOM 1131 C GLN A 67 -13.955 -7.534 -1.281 1.00 0.00 C ATOM 1132 O GLN A 67 -13.320 -6.682 -0.657 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.644 -7.433 -3.774 1.00 0.00 C ATOM 1134 CG GLN A 67 -14.266 -7.213 -5.146 1.00 0.00 C ATOM 1135 CD GLN A 67 -15.454 -8.122 -5.404 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -15.295 -9.239 -5.894 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -16.651 -7.642 -5.104 1.00 0.00 N ATOM 0 H GLN A 67 -14.469 -5.167 -3.135 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.477 -7.844 -2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.786 -6.770 -3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.268 -8.454 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.583 -6.174 -5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.511 -7.382 -5.914 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.740 -6.710 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.484 -8.204 -5.278 1.00 0.00 H new ATOM 1146 N PRO A 68 -14.130 -8.780 -0.810 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.544 -9.242 0.453 1.00 0.00 C ATOM 1148 C PRO A 68 -12.028 -9.088 0.475 1.00 0.00 C ATOM 1149 O PRO A 68 -11.345 -9.471 -0.476 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.927 -10.724 0.514 1.00 0.00 C ATOM 1151 CG PRO A 68 -15.106 -10.856 -0.385 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.914 -9.838 -1.473 1.00 0.00 C ATOM 0 HA PRO A 68 -13.907 -8.662 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.105 -11.358 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.172 -11.027 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.170 -11.862 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.033 -10.676 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.383 -10.257 -2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.867 -9.461 -1.844 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.508 -8.519 1.554 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.072 -8.335 1.693 1.00 0.00 C ATOM 1162 C LEU A 69 -9.409 -9.638 2.110 1.00 0.00 C ATOM 1163 O LEU A 69 -9.891 -10.326 3.014 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.748 -7.240 2.714 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.134 -5.820 2.299 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.678 -4.818 3.344 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.541 -5.481 0.941 1.00 0.00 C ATOM 0 H LEU A 69 -12.058 -8.178 2.343 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.682 -8.027 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.255 -7.477 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.677 -7.262 2.918 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.220 -5.767 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.961 -3.813 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.150 -5.048 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.595 -4.873 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.826 -4.467 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.454 -5.552 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.916 -6.181 0.195 1.00 0.00 H new ATOM 1179 N PRO A 70 -8.307 -10.001 1.443 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.530 -11.188 1.795 1.00 0.00 C ATOM 1181 C PRO A 70 -6.910 -11.050 3.183 1.00 0.00 C ATOM 1182 O PRO A 70 -5.976 -10.268 3.383 1.00 0.00 O ATOM 1183 CB PRO A 70 -6.450 -11.248 0.710 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.351 -9.858 0.187 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.733 -9.286 0.290 1.00 0.00 C ATOM 0 HA PRO A 70 -8.137 -12.092 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.497 -11.584 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.722 -11.948 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.640 -9.271 0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.001 -9.852 -0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.712 -8.209 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.309 -9.459 -0.619 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.438 -11.809 4.138 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.000 -11.700 5.519 1.00 0.00 C ATOM 1195 C GLY A 71 -5.673 -12.385 5.769 1.00 0.00 C ATOM 1196 O GLY A 71 -5.529 -13.151 6.722 1.00 0.00 O ATOM 0 H GLY A 71 -8.168 -12.504 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.916 -10.647 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.757 -12.135 6.171 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.711 -12.118 4.899 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.368 -12.658 5.030 1.00 0.00 C ATOM 1202 C ALA A 72 -2.396 -11.852 4.178 1.00 0.00 C ATOM 1203 O ALA A 72 -1.321 -12.330 3.816 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.340 -14.127 4.628 1.00 0.00 C ATOM 0 H ALA A 72 -4.840 -11.521 4.082 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.062 -12.585 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.326 -14.514 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.013 -14.693 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.661 -14.227 3.591 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.779 -10.622 3.870 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.953 -9.752 3.049 1.00 0.00 C ATOM 1212 C PHE A 73 -1.013 -8.940 3.935 1.00 0.00 C ATOM 1213 O PHE A 73 -1.461 -8.189 4.800 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.844 -8.827 2.216 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.103 -7.998 1.204 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.783 -8.524 -0.037 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.738 -6.691 1.486 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -1.113 -7.764 -0.975 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.067 -5.926 0.553 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.755 -6.463 -0.680 1.00 0.00 C ATOM 0 H PHE A 73 -3.657 -10.204 4.177 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.351 -10.358 2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.590 -9.430 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.384 -8.161 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.061 -9.540 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.982 -6.265 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.869 -8.186 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.787 -4.910 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.232 -5.867 -1.413 1.00 0.00 H new ATOM 1230 N ALA A 74 0.285 -9.115 3.730 1.00 0.00 N ATOM 1231 CA ALA A 74 1.285 -8.404 4.510 1.00 0.00 C ATOM 1232 C ALA A 74 2.480 -8.044 3.642 1.00 0.00 C ATOM 1233 O ALA A 74 3.149 -8.923 3.094 1.00 0.00 O ATOM 1234 CB ALA A 74 1.727 -9.245 5.699 1.00 0.00 C ATOM 0 H ALA A 74 0.670 -9.746 3.027 1.00 0.00 H new ATOM 0 HA ALA A 74 0.840 -7.482 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.476 -8.699 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.867 -9.458 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.155 -10.182 5.343 1.00 0.00 H new ATOM 1240 N VAL A 75 2.735 -6.754 3.502 1.00 0.00 N ATOM 1241 CA VAL A 75 3.848 -6.281 2.687 1.00 0.00 C ATOM 1242 C VAL A 75 4.958 -5.683 3.543 1.00 0.00 C ATOM 1243 O VAL A 75 6.106 -5.584 3.099 1.00 0.00 O ATOM 1244 CB VAL A 75 3.398 -5.238 1.643 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.502 -5.883 0.600 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.684 -4.075 2.312 1.00 0.00 C ATOM 0 H VAL A 75 2.188 -6.013 3.941 1.00 0.00 H new ATOM 0 HA VAL A 75 4.232 -7.157 2.164 1.00 0.00 H new ATOM 0 HB VAL A 75 4.287 -4.850 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.194 -5.133 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.048 -6.679 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.620 -6.301 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.376 -3.353 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.805 -4.443 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.358 -3.593 3.020 1.00 0.00 H new ATOM 1256 N ALA A 76 4.623 -5.305 4.772 1.00 0.00 N ATOM 1257 CA ALA A 76 5.589 -4.680 5.671 1.00 0.00 C ATOM 1258 C ALA A 76 6.821 -5.564 5.908 1.00 0.00 C ATOM 1259 O ALA A 76 7.945 -5.095 5.734 1.00 0.00 O ATOM 1260 CB ALA A 76 4.933 -4.305 6.992 1.00 0.00 C ATOM 0 H ALA A 76 3.691 -5.420 5.169 1.00 0.00 H new ATOM 0 HA ALA A 76 5.937 -3.770 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.671 -3.841 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.119 -3.603 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.538 -5.202 7.469 1.00 0.00 H new ATOM 1266 N PRO A 77 6.647 -6.855 6.288 1.00 0.00 N ATOM 1267 CA PRO A 77 7.780 -7.759 6.536 1.00 0.00 C ATOM 1268 C PRO A 77 8.692 -7.902 5.318 1.00 0.00 C ATOM 1269 O PRO A 77 9.890 -8.156 5.449 1.00 0.00 O ATOM 1270 CB PRO A 77 7.119 -9.106 6.864 1.00 0.00 C ATOM 1271 CG PRO A 77 5.717 -8.986 6.375 1.00 0.00 C ATOM 1272 CD PRO A 77 5.359 -7.538 6.519 1.00 0.00 C ATOM 0 HA PRO A 77 8.420 -7.382 7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.638 -9.929 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.146 -9.307 7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.636 -9.308 5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.044 -9.615 6.957 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.605 -7.234 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.957 -7.318 7.508 1.00 0.00 H new ATOM 1280 N TYR A 78 8.121 -7.724 4.134 1.00 0.00 N ATOM 1281 CA TYR A 78 8.880 -7.835 2.901 1.00 0.00 C ATOM 1282 C TYR A 78 9.797 -6.633 2.730 1.00 0.00 C ATOM 1283 O TYR A 78 10.999 -6.787 2.534 1.00 0.00 O ATOM 1284 CB TYR A 78 7.939 -7.955 1.697 1.00 0.00 C ATOM 1285 CG TYR A 78 8.662 -8.066 0.376 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.076 -9.298 -0.106 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.938 -6.936 -0.385 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.749 -9.404 -1.306 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.608 -7.034 -1.586 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.011 -8.269 -2.042 1.00 0.00 C ATOM 1291 OH TYR A 78 10.687 -8.368 -3.233 1.00 0.00 O ATOM 0 H TYR A 78 7.134 -7.502 4.004 1.00 0.00 H new ATOM 0 HA TYR A 78 9.490 -8.736 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.303 -8.830 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.283 -7.085 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.868 -10.190 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.623 -5.966 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.068 -10.371 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.816 -6.147 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 78 11.300 -9.132 -3.199 1.00 0.00 H new ATOM 1301 N TYR A 79 9.232 -5.439 2.822 1.00 0.00 N ATOM 1302 CA TYR A 79 10.002 -4.220 2.610 1.00 0.00 C ATOM 1303 C TYR A 79 10.921 -3.926 3.795 1.00 0.00 C ATOM 1304 O TYR A 79 11.885 -3.177 3.664 1.00 0.00 O ATOM 1305 CB TYR A 79 9.077 -3.038 2.323 1.00 0.00 C ATOM 1306 CG TYR A 79 8.413 -3.117 0.964 1.00 0.00 C ATOM 1307 CD1 TYR A 79 9.097 -2.737 -0.183 1.00 0.00 C ATOM 1308 CD2 TYR A 79 7.109 -3.572 0.830 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.499 -2.808 -1.426 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.504 -3.648 -0.411 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.202 -3.264 -1.536 1.00 0.00 C ATOM 1312 OH TYR A 79 6.602 -3.330 -2.773 1.00 0.00 O ATOM 0 H TYR A 79 8.248 -5.287 3.041 1.00 0.00 H new ATOM 0 HA TYR A 79 10.636 -4.374 1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.308 -2.991 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.650 -2.113 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.113 -2.380 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.558 -3.872 1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.045 -2.508 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.489 -4.007 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 79 7.287 -3.280 -3.472 1.00 0.00 H new ATOM 1322 N GLU A 80 10.626 -4.529 4.942 1.00 0.00 N ATOM 1323 CA GLU A 80 11.504 -4.438 6.108 1.00 0.00 C ATOM 1324 C GLU A 80 12.835 -5.122 5.789 1.00 0.00 C ATOM 1325 O GLU A 80 13.880 -4.794 6.349 1.00 0.00 O ATOM 1326 CB GLU A 80 10.824 -5.103 7.313 1.00 0.00 C ATOM 1327 CG GLU A 80 11.218 -4.531 8.670 1.00 0.00 C ATOM 1328 CD GLU A 80 12.597 -4.956 9.135 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.836 -6.175 9.277 1.00 0.00 O ATOM 1330 OE2 GLU A 80 13.441 -4.073 9.385 1.00 0.00 O ATOM 0 H GLU A 80 9.785 -5.087 5.091 1.00 0.00 H new ATOM 0 HA GLU A 80 11.696 -3.393 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.744 -5.013 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.058 -6.167 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.181 -3.443 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.483 -4.841 9.412 1.00 0.00 H new ATOM 1337 N MET A 81 12.775 -6.066 4.863 1.00 0.00 N ATOM 1338 CA MET A 81 13.954 -6.785 4.407 1.00 0.00 C ATOM 1339 C MET A 81 14.470 -6.207 3.086 1.00 0.00 C ATOM 1340 O MET A 81 15.677 -6.060 2.885 1.00 0.00 O ATOM 1341 CB MET A 81 13.608 -8.269 4.238 1.00 0.00 C ATOM 1342 CG MET A 81 14.672 -9.079 3.519 1.00 0.00 C ATOM 1343 SD MET A 81 14.233 -10.823 3.371 1.00 0.00 S ATOM 1344 CE MET A 81 12.714 -10.712 2.425 1.00 0.00 C ATOM 0 H MET A 81 11.909 -6.355 4.407 1.00 0.00 H new ATOM 0 HA MET A 81 14.743 -6.677 5.151 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.439 -8.705 5.222 1.00 0.00 H new ATOM 0 HB3 MET A 81 12.671 -8.351 3.687 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.831 -8.662 2.524 1.00 0.00 H new ATOM 0 HG3 MET A 81 15.616 -8.990 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 81 12.518 -11.667 1.938 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.887 -10.468 3.092 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.812 -9.933 1.669 1.00 0.00 H new ATOM 1354 N ALA A 82 13.543 -5.878 2.190 1.00 0.00 N ATOM 1355 CA ALA A 82 13.889 -5.385 0.860 1.00 0.00 C ATOM 1356 C ALA A 82 14.556 -4.012 0.915 1.00 0.00 C ATOM 1357 O ALA A 82 15.523 -3.755 0.199 1.00 0.00 O ATOM 1358 CB ALA A 82 12.649 -5.331 -0.023 1.00 0.00 C ATOM 0 H ALA A 82 12.540 -5.945 2.363 1.00 0.00 H new ATOM 0 HA ALA A 82 14.608 -6.083 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.922 -4.962 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.223 -6.330 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.913 -4.662 0.424 1.00 0.00 H new ATOM 1364 N LEU A 83 14.045 -3.133 1.767 1.00 0.00 N ATOM 1365 CA LEU A 83 14.576 -1.782 1.867 1.00 0.00 C ATOM 1366 C LEU A 83 15.740 -1.747 2.842 1.00 0.00 C ATOM 1367 O LEU A 83 15.621 -2.201 3.980 1.00 0.00 O ATOM 1368 CB LEU A 83 13.485 -0.805 2.311 1.00 0.00 C ATOM 1369 CG LEU A 83 12.264 -0.742 1.393 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.239 0.240 1.939 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.683 -0.351 -0.016 1.00 0.00 C ATOM 0 H LEU A 83 13.267 -3.331 2.396 1.00 0.00 H new ATOM 0 HA LEU A 83 14.931 -1.478 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.155 -1.083 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.919 0.192 2.384 1.00 0.00 H new ATOM 0 HG LEU A 83 11.805 -1.730 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.376 0.273 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.920 -0.081 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.685 1.233 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.804 -0.310 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.163 0.627 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.383 -1.090 -0.406 1.00 0.00 H new ATOM 1383 N ALA A 84 16.861 -1.208 2.387 1.00 0.00 N ATOM 1384 CA ALA A 84 18.077 -1.172 3.182 1.00 0.00 C ATOM 1385 C ALA A 84 17.900 -0.341 4.441 1.00 0.00 C ATOM 1386 O ALA A 84 17.299 0.736 4.418 1.00 0.00 O ATOM 1387 CB ALA A 84 19.236 -0.641 2.353 1.00 0.00 C ATOM 0 H ALA A 84 16.953 -0.786 1.463 1.00 0.00 H new ATOM 0 HA ALA A 84 18.301 -2.193 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.140 -0.620 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.394 -1.290 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.006 0.368 2.010 1.00 0.00 H new ATOM 1393 N THR A 85 18.439 -0.862 5.533 1.00 0.00 N ATOM 1394 CA THR A 85 18.368 -0.222 6.833 1.00 0.00 C ATOM 1395 C THR A 85 19.008 1.163 6.800 1.00 0.00 C ATOM 1396 O THR A 85 18.602 2.071 7.525 1.00 0.00 O ATOM 1397 CB THR A 85 19.091 -1.087 7.877 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.204 -2.436 7.394 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.329 -1.088 9.185 1.00 0.00 C ATOM 0 H THR A 85 18.942 -1.749 5.539 1.00 0.00 H new ATOM 0 HA THR A 85 17.317 -0.114 7.100 1.00 0.00 H new ATOM 0 HB THR A 85 20.084 -0.670 8.045 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.667 -2.985 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.856 -1.706 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.253 -0.068 9.562 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.329 -1.491 9.023 1.00 0.00 H new ATOM 1407 N ASP A 86 19.997 1.317 5.933 1.00 0.00 N ATOM 1408 CA ASP A 86 20.733 2.564 5.809 1.00 0.00 C ATOM 1409 C ASP A 86 19.971 3.582 4.963 1.00 0.00 C ATOM 1410 O ASP A 86 20.524 4.602 4.559 1.00 0.00 O ATOM 1411 CB ASP A 86 22.103 2.292 5.193 1.00 0.00 C ATOM 1412 CG ASP A 86 23.051 1.595 6.150 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.733 0.477 6.609 1.00 0.00 O ATOM 1414 OD2 ASP A 86 24.128 2.157 6.437 1.00 0.00 O ATOM 0 H ASP A 86 20.311 0.583 5.298 1.00 0.00 H new ATOM 0 HA ASP A 86 20.856 2.987 6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.979 1.679 4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.546 3.235 4.873 1.00 0.00 H new ATOM 1419 N HIS A 87 18.708 3.297 4.687 1.00 0.00 N ATOM 1420 CA HIS A 87 17.850 4.237 3.982 1.00 0.00 C ATOM 1421 C HIS A 87 16.711 4.666 4.905 1.00 0.00 C ATOM 1422 O HIS A 87 15.654 4.035 4.932 1.00 0.00 O ATOM 1423 CB HIS A 87 17.305 3.602 2.696 1.00 0.00 C ATOM 1424 CG HIS A 87 16.740 4.585 1.716 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.512 5.242 0.786 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.470 5.011 1.512 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.747 6.029 0.054 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.503 5.910 0.473 1.00 0.00 N ATOM 0 H HIS A 87 18.253 2.420 4.941 1.00 0.00 H new ATOM 0 HA HIS A 87 18.427 5.117 3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.106 3.044 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.530 2.883 2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.594 4.702 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.083 6.664 -0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.697 6.404 0.089 1.00 0.00 H new ATOM 1437 N PRO A 88 16.926 5.751 5.675 1.00 0.00 N ATOM 1438 CA PRO A 88 16.015 6.192 6.754 1.00 0.00 C ATOM 1439 C PRO A 88 14.597 6.514 6.286 1.00 0.00 C ATOM 1440 O PRO A 88 13.681 6.641 7.098 1.00 0.00 O ATOM 1441 CB PRO A 88 16.690 7.454 7.300 1.00 0.00 C ATOM 1442 CG PRO A 88 18.116 7.327 6.898 1.00 0.00 C ATOM 1443 CD PRO A 88 18.097 6.638 5.568 1.00 0.00 C ATOM 0 HA PRO A 88 15.877 5.397 7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.240 8.355 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.589 7.519 8.383 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.592 8.305 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.680 6.750 7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.993 7.347 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.014 6.077 5.390 1.00 0.00 H new ATOM 1451 N GLN A 89 14.412 6.646 4.981 1.00 0.00 N ATOM 1452 CA GLN A 89 13.091 6.905 4.425 1.00 0.00 C ATOM 1453 C GLN A 89 12.183 5.689 4.575 1.00 0.00 C ATOM 1454 O GLN A 89 10.963 5.806 4.464 1.00 0.00 O ATOM 1455 CB GLN A 89 13.181 7.271 2.947 1.00 0.00 C ATOM 1456 CG GLN A 89 13.750 8.650 2.673 1.00 0.00 C ATOM 1457 CD GLN A 89 13.748 8.969 1.192 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.889 8.074 0.360 1.00 0.00 O ATOM 1459 NE2 GLN A 89 13.538 10.227 0.850 1.00 0.00 N ATOM 0 H GLN A 89 15.157 6.578 4.288 1.00 0.00 H new ATOM 0 HA GLN A 89 12.669 7.742 4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.798 6.530 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.185 7.210 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.165 9.398 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.769 8.707 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.426 10.940 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.488 10.486 -0.135 1.00 0.00 H new ATOM 1468 N ARG A 90 12.778 4.527 4.828 1.00 0.00 N ATOM 1469 CA ARG A 90 12.016 3.289 4.880 1.00 0.00 C ATOM 1470 C ARG A 90 11.112 3.256 6.111 1.00 0.00 C ATOM 1471 O ARG A 90 10.108 2.552 6.120 1.00 0.00 O ATOM 1472 CB ARG A 90 12.945 2.066 4.861 1.00 0.00 C ATOM 1473 CG ARG A 90 13.577 1.732 6.203 1.00 0.00 C ATOM 1474 CD ARG A 90 14.444 0.487 6.114 1.00 0.00 C ATOM 1475 NE ARG A 90 14.723 -0.084 7.431 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.790 -1.395 7.667 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.726 -2.256 6.659 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.954 -1.843 8.902 1.00 0.00 N ATOM 0 H ARG A 90 13.778 4.419 4.999 1.00 0.00 H new ATOM 0 HA ARG A 90 11.386 3.250 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.379 1.201 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.738 2.239 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.181 2.574 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.795 1.580 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.945 -0.258 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.384 0.735 5.620 1.00 0.00 H new ATOM 0 HE ARG A 90 14.875 0.555 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.626 -1.915 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.777 -3.258 6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.030 -1.185 9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.005 -2.846 9.078 1.00 0.00 H new ATOM 1492 N ALA A 91 11.468 4.034 7.134 1.00 0.00 N ATOM 1493 CA ALA A 91 10.670 4.115 8.356 1.00 0.00 C ATOM 1494 C ALA A 91 9.247 4.569 8.051 1.00 0.00 C ATOM 1495 O ALA A 91 8.277 3.943 8.480 1.00 0.00 O ATOM 1496 CB ALA A 91 11.323 5.065 9.350 1.00 0.00 C ATOM 0 H ALA A 91 12.305 4.617 7.140 1.00 0.00 H new ATOM 0 HA ALA A 91 10.622 3.119 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.718 5.116 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.320 4.702 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.399 6.058 8.908 1.00 0.00 H new ATOM 1502 N LEU A 92 9.137 5.651 7.289 1.00 0.00 N ATOM 1503 CA LEU A 92 7.840 6.201 6.913 1.00 0.00 C ATOM 1504 C LEU A 92 7.059 5.195 6.076 1.00 0.00 C ATOM 1505 O LEU A 92 5.836 5.076 6.202 1.00 0.00 O ATOM 1506 CB LEU A 92 8.020 7.506 6.131 1.00 0.00 C ATOM 1507 CG LEU A 92 8.720 8.630 6.896 1.00 0.00 C ATOM 1508 CD1 LEU A 92 8.873 9.861 6.016 1.00 0.00 C ATOM 1509 CD2 LEU A 92 7.948 8.969 8.162 1.00 0.00 C ATOM 0 H LEU A 92 9.935 6.167 6.918 1.00 0.00 H new ATOM 0 HA LEU A 92 7.279 6.412 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.590 7.294 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.039 7.860 5.814 1.00 0.00 H new ATOM 0 HG LEU A 92 9.715 8.288 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.373 10.650 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.467 9.609 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.889 10.208 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.458 9.771 8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.941 9.292 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.891 8.087 8.800 1.00 0.00 H new ATOM 1521 N ILE A 93 7.779 4.466 5.233 1.00 0.00 N ATOM 1522 CA ILE A 93 7.174 3.451 4.386 1.00 0.00 C ATOM 1523 C ILE A 93 6.655 2.292 5.233 1.00 0.00 C ATOM 1524 O ILE A 93 5.493 1.906 5.121 1.00 0.00 O ATOM 1525 CB ILE A 93 8.183 2.923 3.341 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.765 4.086 2.528 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.517 1.908 2.420 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.828 3.671 1.533 1.00 0.00 C ATOM 0 H ILE A 93 8.788 4.561 5.119 1.00 0.00 H new ATOM 0 HA ILE A 93 6.339 3.912 3.858 1.00 0.00 H new ATOM 0 HB ILE A 93 8.998 2.425 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.956 4.583 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.190 4.818 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.243 1.547 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.147 1.069 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.684 2.381 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.189 4.550 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.658 3.202 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.404 2.962 0.822 1.00 0.00 H new ATOM 1540 N LEU A 94 7.516 1.767 6.102 1.00 0.00 N ATOM 1541 CA LEU A 94 7.158 0.648 6.969 1.00 0.00 C ATOM 1542 C LEU A 94 5.975 1.005 7.863 1.00 0.00 C ATOM 1543 O LEU A 94 5.119 0.161 8.136 1.00 0.00 O ATOM 1544 CB LEU A 94 8.356 0.226 7.825 1.00 0.00 C ATOM 1545 CG LEU A 94 9.544 -0.349 7.048 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.703 -0.651 7.987 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.130 -1.604 6.292 1.00 0.00 C ATOM 0 H LEU A 94 8.472 2.101 6.224 1.00 0.00 H new ATOM 0 HA LEU A 94 6.868 -0.188 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.699 1.091 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.021 -0.518 8.548 1.00 0.00 H new ATOM 0 HG LEU A 94 9.874 0.397 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.537 -1.059 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.017 0.267 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.386 -1.378 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.987 -1.999 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.773 -2.353 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.333 -1.359 5.590 1.00 0.00 H new ATOM 1559 N ALA A 95 5.929 2.259 8.305 1.00 0.00 N ATOM 1560 CA ALA A 95 4.818 2.745 9.113 1.00 0.00 C ATOM 1561 C ALA A 95 3.501 2.579 8.371 1.00 0.00 C ATOM 1562 O ALA A 95 2.544 2.019 8.904 1.00 0.00 O ATOM 1563 CB ALA A 95 5.020 4.203 9.491 1.00 0.00 C ATOM 0 H ALA A 95 6.649 2.956 8.116 1.00 0.00 H new ATOM 0 HA ALA A 95 4.784 2.151 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.178 4.543 10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.941 4.306 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.086 4.808 8.586 1.00 0.00 H new ATOM 1569 N GLU A 96 3.463 3.047 7.128 1.00 0.00 N ATOM 1570 CA GLU A 96 2.251 2.962 6.324 1.00 0.00 C ATOM 1571 C GLU A 96 1.975 1.521 5.886 1.00 0.00 C ATOM 1572 O GLU A 96 0.829 1.153 5.634 1.00 0.00 O ATOM 1573 CB GLU A 96 2.344 3.870 5.096 1.00 0.00 C ATOM 1574 CG GLU A 96 2.476 5.353 5.417 1.00 0.00 C ATOM 1575 CD GLU A 96 1.379 5.874 6.330 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.228 5.405 6.230 1.00 0.00 O ATOM 1577 OE2 GLU A 96 1.671 6.762 7.157 1.00 0.00 O ATOM 0 H GLU A 96 4.254 3.487 6.658 1.00 0.00 H new ATOM 0 HA GLU A 96 1.423 3.298 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.201 3.563 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.456 3.722 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.444 5.531 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.464 5.921 4.487 1.00 0.00 H new ATOM 1584 N LEU A 97 3.023 0.708 5.797 1.00 0.00 N ATOM 1585 CA LEU A 97 2.866 -0.695 5.423 1.00 0.00 C ATOM 1586 C LEU A 97 2.174 -1.477 6.535 1.00 0.00 C ATOM 1587 O LEU A 97 1.163 -2.130 6.298 1.00 0.00 O ATOM 1588 CB LEU A 97 4.217 -1.327 5.093 1.00 0.00 C ATOM 1589 CG LEU A 97 4.933 -0.733 3.880 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.248 -1.449 3.637 1.00 0.00 C ATOM 1591 CD2 LEU A 97 4.054 -0.800 2.640 1.00 0.00 C ATOM 0 H LEU A 97 3.985 0.994 5.977 1.00 0.00 H new ATOM 0 HA LEU A 97 2.241 -0.735 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.868 -1.231 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.069 -2.393 4.922 1.00 0.00 H new ATOM 0 HG LEU A 97 5.141 0.316 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.745 -1.014 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.888 -1.342 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.058 -2.506 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.588 -0.371 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.807 -1.840 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.137 -0.238 2.814 1.00 0.00 H new ATOM 1603 N GLU A 98 2.708 -1.391 7.752 1.00 0.00 N ATOM 1604 CA GLU A 98 2.070 -2.008 8.917 1.00 0.00 C ATOM 1605 C GLU A 98 0.669 -1.440 9.114 1.00 0.00 C ATOM 1606 O GLU A 98 -0.241 -2.115 9.602 1.00 0.00 O ATOM 1607 CB GLU A 98 2.907 -1.760 10.176 1.00 0.00 C ATOM 1608 CG GLU A 98 4.103 -2.687 10.316 1.00 0.00 C ATOM 1609 CD GLU A 98 3.691 -4.129 10.536 1.00 0.00 C ATOM 1610 OE1 GLU A 98 2.601 -4.365 11.099 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.463 -5.035 10.163 1.00 0.00 O ATOM 0 H GLU A 98 3.579 -0.902 7.958 1.00 0.00 H new ATOM 0 HA GLU A 98 1.999 -3.082 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.259 -0.728 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.269 -1.873 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.718 -2.620 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.720 -2.356 11.151 1.00 0.00 H new ATOM 1618 N LYS A 99 0.521 -0.191 8.711 1.00 0.00 N ATOM 1619 CA LYS A 99 -0.733 0.536 8.807 1.00 0.00 C ATOM 1620 C LYS A 99 -1.760 -0.048 7.837 1.00 0.00 C ATOM 1621 O LYS A 99 -2.962 -0.005 8.089 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.436 1.997 8.482 1.00 0.00 C ATOM 1623 CG LYS A 99 -1.483 3.003 8.909 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.806 4.325 9.233 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.754 5.502 9.152 1.00 0.00 C ATOM 1626 NZ LYS A 99 -2.061 5.870 7.746 1.00 0.00 N ATOM 0 H LYS A 99 1.279 0.355 8.302 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.156 0.454 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.510 2.267 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.294 2.086 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.216 3.142 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.024 2.635 9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.381 4.275 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.023 4.483 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.680 5.259 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.314 6.358 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.616 6.750 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.174 6.011 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.609 5.107 7.299 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.265 -0.613 6.739 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.114 -1.215 5.717 1.00 0.00 C ATOM 1642 C LEU A 100 -2.348 -2.698 6.003 1.00 0.00 C ATOM 1643 O LEU A 100 -3.480 -3.187 5.920 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.469 -1.045 4.337 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.279 -1.589 3.160 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.574 -0.814 2.999 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.457 -1.533 1.883 1.00 0.00 C ATOM 0 H LEU A 100 -0.267 -0.666 6.534 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.079 -0.708 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.285 0.016 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.497 -1.539 4.346 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.530 -2.630 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.136 -1.216 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.168 -0.905 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.349 0.237 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.046 -1.923 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.178 -0.500 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.556 -2.135 2.003 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.274 -3.403 6.344 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.335 -4.838 6.638 1.00 0.00 C ATOM 1661 C ASP A 101 -2.370 -5.134 7.718 1.00 0.00 C ATOM 1662 O ASP A 101 -3.072 -6.146 7.667 1.00 0.00 O ATOM 1663 CB ASP A 101 0.030 -5.361 7.100 1.00 0.00 C ATOM 1664 CG ASP A 101 1.078 -5.415 6.001 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.754 -5.139 4.832 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.244 -5.753 6.313 1.00 0.00 O ATOM 0 H ASP A 101 -0.340 -3.002 6.425 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.624 -5.343 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.397 -4.725 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.097 -6.361 7.515 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.462 -4.245 8.701 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.418 -4.401 9.790 1.00 0.00 C ATOM 1673 C ALA A 102 -4.853 -4.275 9.291 1.00 0.00 C ATOM 1674 O ALA A 102 -5.769 -4.873 9.853 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.149 -3.377 10.883 1.00 0.00 C ATOM 0 H ALA A 102 -1.884 -3.407 8.766 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.292 -5.402 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.871 -3.507 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.141 -3.518 11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.242 -2.372 10.471 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.039 -3.514 8.222 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.368 -3.260 7.683 1.00 0.00 C ATOM 1683 C LEU A 103 -6.884 -4.467 6.911 1.00 0.00 C ATOM 1684 O LEU A 103 -8.079 -4.755 6.925 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.352 -2.026 6.780 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.983 -0.716 7.477 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.976 0.434 6.484 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.945 -0.424 8.622 1.00 0.00 C ATOM 0 H LEU A 103 -4.283 -3.060 7.709 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.041 -3.076 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.646 -2.199 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.337 -1.914 6.327 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.980 -0.822 7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.711 1.358 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.246 0.233 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.966 0.537 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.664 0.512 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.960 -0.341 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.901 -1.234 9.350 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.983 -5.181 6.247 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.366 -6.386 5.510 1.00 0.00 C ATOM 1702 C PHE A 104 -6.845 -7.488 6.449 1.00 0.00 C ATOM 1703 O PHE A 104 -7.593 -8.374 6.049 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.212 -6.888 4.643 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.079 -6.131 3.355 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -4.313 -4.982 3.281 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -5.735 -6.568 2.214 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -4.201 -4.282 2.096 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -5.627 -5.871 1.026 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.860 -4.727 0.967 1.00 0.00 C ATOM 0 H PHE A 104 -4.990 -4.952 6.202 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.197 -6.117 4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.281 -6.808 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.362 -7.945 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.796 -4.628 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.337 -7.464 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.598 -3.387 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.143 -6.222 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.775 -4.180 0.040 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.414 -7.423 7.700 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.860 -8.375 8.707 1.00 0.00 C ATOM 1722 C ALA A 105 -8.004 -7.786 9.529 1.00 0.00 C ATOM 1723 O ALA A 105 -8.548 -8.440 10.422 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.699 -8.764 9.607 1.00 0.00 C ATOM 0 H ALA A 105 -5.757 -6.722 8.042 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.227 -9.271 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.043 -9.476 10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.911 -9.220 9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.309 -7.875 10.103 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.369 -6.549 9.215 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.402 -5.838 9.961 1.00 0.00 C ATOM 1732 C ASP A 106 -10.776 -6.055 9.337 1.00 0.00 C ATOM 1733 O ASP A 106 -11.782 -6.141 10.044 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.077 -4.342 10.018 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.008 -3.569 10.932 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -9.705 -3.462 12.140 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.028 -3.039 10.450 1.00 0.00 O ATOM 0 H ASP A 106 -7.964 -6.015 8.446 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.424 -6.236 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.050 -4.211 10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.134 -3.925 9.013 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.812 -6.155 8.011 1.00 0.00 N ATOM 1743 CA ASP A 107 -12.064 -6.389 7.292 1.00 0.00 C ATOM 1744 C ASP A 107 -12.475 -7.853 7.444 1.00 0.00 C ATOM 1745 O ASP A 107 -11.681 -8.681 7.895 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.911 -6.020 5.811 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.241 -5.780 5.114 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -13.850 -6.754 4.619 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.679 -4.610 5.041 1.00 0.00 O ATOM 0 H ASP A 107 -9.990 -6.078 7.412 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.843 -5.756 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.297 -5.123 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.378 -6.820 5.297 1.00 0.00 H new ATOM 1754 N ALA A 108 -13.696 -8.178 7.059 1.00 0.00 N ATOM 1755 CA ALA A 108 -14.244 -9.499 7.319 1.00 0.00 C ATOM 1756 C ALA A 108 -14.457 -10.287 6.034 1.00 0.00 C ATOM 1757 O ALA A 108 -15.307 -9.943 5.209 1.00 0.00 O ATOM 1758 CB ALA A 108 -15.551 -9.382 8.086 1.00 0.00 C ATOM 0 H ALA A 108 -14.327 -7.547 6.566 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.519 -10.044 7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.952 -10.378 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -15.372 -8.877 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -16.267 -8.808 7.499 1.00 0.00 H new ATOM 1764 N SER A 109 -13.672 -11.337 5.865 1.00 0.00 N ATOM 1765 CA SER A 109 -13.844 -12.256 4.756 1.00 0.00 C ATOM 1766 C SER A 109 -13.983 -13.683 5.280 1.00 0.00 C ATOM 1767 O SER A 109 -13.023 -14.260 5.794 1.00 0.00 O ATOM 1768 CB SER A 109 -12.666 -12.137 3.782 1.00 0.00 C ATOM 1769 OG SER A 109 -11.429 -12.041 4.471 1.00 0.00 O ATOM 0 H SER A 109 -12.902 -11.575 6.490 1.00 0.00 H new ATOM 0 HA SER A 109 -14.755 -12.000 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.650 -13.004 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.801 -11.258 3.151 1.00 0.00 H new ATOM 0 HG SER A 109 -10.809 -11.484 3.955 1.00 0.00 H new ATOM 1775 N LEU A 110 -15.186 -14.238 5.171 1.00 0.00 N ATOM 1776 CA LEU A 110 -15.462 -15.567 5.701 1.00 0.00 C ATOM 1777 C LEU A 110 -14.757 -16.643 4.887 1.00 0.00 C ATOM 1778 O LEU A 110 -14.528 -16.483 3.688 1.00 0.00 O ATOM 1779 CB LEU A 110 -16.972 -15.842 5.742 1.00 0.00 C ATOM 1780 CG LEU A 110 -17.719 -15.265 6.952 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -17.720 -13.741 6.933 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -19.142 -15.799 6.998 1.00 0.00 C ATOM 0 H LEU A 110 -15.983 -13.788 4.721 1.00 0.00 H new ATOM 0 HA LEU A 110 -15.075 -15.598 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -17.421 -15.439 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -17.127 -16.921 5.722 1.00 0.00 H new ATOM 0 HG LEU A 110 -17.194 -15.584 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -18.258 -13.367 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -16.693 -13.376 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -18.210 -13.389 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -19.660 -15.381 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -19.667 -15.513 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -19.120 -16.886 7.079 1.00 0.00 H new ATOM 1794 N GLU A 111 -14.424 -17.745 5.550 1.00 0.00 N ATOM 1795 CA GLU A 111 -13.688 -18.841 4.926 1.00 0.00 C ATOM 1796 C GLU A 111 -14.508 -19.520 3.827 1.00 0.00 C ATOM 1797 O GLU A 111 -13.949 -20.038 2.862 1.00 0.00 O ATOM 1798 CB GLU A 111 -13.275 -19.863 5.989 1.00 0.00 C ATOM 1799 CG GLU A 111 -14.439 -20.383 6.818 1.00 0.00 C ATOM 1800 CD GLU A 111 -13.987 -21.247 7.976 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -13.495 -20.691 8.976 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -14.142 -22.482 7.901 1.00 0.00 O ATOM 0 H GLU A 111 -14.655 -17.905 6.531 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.796 -18.423 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.783 -20.704 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.541 -19.407 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.013 -19.539 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.107 -20.959 6.178 1.00 0.00 H new ATOM 1809 N HIS A 112 -15.836 -19.512 3.988 1.00 0.00 N ATOM 1810 CA HIS A 112 -16.753 -20.119 3.016 1.00 0.00 C ATOM 1811 C HIS A 112 -16.513 -21.622 2.893 1.00 0.00 C ATOM 1812 O HIS A 112 -16.812 -22.231 1.865 1.00 0.00 O ATOM 1813 CB HIS A 112 -16.622 -19.454 1.638 1.00 0.00 C ATOM 1814 CG HIS A 112 -17.109 -18.038 1.599 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -16.322 -16.976 1.208 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -18.317 -17.511 1.903 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -17.023 -15.861 1.277 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -18.237 -16.158 1.695 1.00 0.00 N ATOM 0 H HIS A 112 -16.303 -19.088 4.790 1.00 0.00 H new ATOM 0 HA HIS A 112 -17.766 -19.958 3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -15.576 -19.477 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -17.180 -20.040 0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -19.184 -18.055 2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -16.663 -14.872 1.032 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -18.994 -15.490 1.840 1.00 0.00 H new ATOM 1827 N HIS A 113 -15.986 -22.214 3.958 1.00 0.00 N ATOM 1828 CA HIS A 113 -15.730 -23.650 4.007 1.00 0.00 C ATOM 1829 C HIS A 113 -17.040 -24.435 3.971 1.00 0.00 C ATOM 1830 O HIS A 113 -17.108 -25.522 3.404 1.00 0.00 O ATOM 1831 CB HIS A 113 -14.921 -23.992 5.263 1.00 0.00 C ATOM 1832 CG HIS A 113 -14.742 -25.463 5.512 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -14.064 -26.302 4.653 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -15.165 -26.240 6.535 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -14.078 -27.530 5.139 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -14.739 -27.518 6.281 1.00 0.00 N ATOM 0 H HIS A 113 -15.725 -21.716 4.809 1.00 0.00 H new ATOM 0 HA HIS A 113 -15.149 -23.934 3.130 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -13.938 -23.528 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -15.413 -23.548 6.128 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -15.733 -25.914 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -13.625 -28.396 4.680 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -14.906 -28.328 6.878 1.00 0.00 H new ATOM 1845 N HIS A 114 -18.077 -23.877 4.574 1.00 0.00 N ATOM 1846 CA HIS A 114 -19.387 -24.507 4.560 1.00 0.00 C ATOM 1847 C HIS A 114 -20.185 -23.974 3.374 1.00 0.00 C ATOM 1848 O HIS A 114 -20.320 -22.762 3.205 1.00 0.00 O ATOM 1849 CB HIS A 114 -20.121 -24.242 5.875 1.00 0.00 C ATOM 1850 CG HIS A 114 -20.926 -25.408 6.354 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -22.272 -25.339 6.618 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -20.554 -26.678 6.637 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -22.696 -26.514 7.044 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -21.673 -27.349 7.066 1.00 0.00 N ATOM 0 H HIS A 114 -18.037 -22.991 5.078 1.00 0.00 H new ATOM 0 HA HIS A 114 -19.272 -25.586 4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -19.393 -23.974 6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -20.780 -23.383 5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -19.560 -27.089 6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -23.710 -26.753 7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -21.708 -28.327 7.353 1.00 0.00 H new ATOM 1863 N HIS A 115 -20.699 -24.875 2.552 1.00 0.00 N ATOM 1864 CA HIS A 115 -21.321 -24.484 1.292 1.00 0.00 C ATOM 1865 C HIS A 115 -22.839 -24.575 1.343 1.00 0.00 C ATOM 1866 O HIS A 115 -23.404 -25.473 1.971 1.00 0.00 O ATOM 1867 CB HIS A 115 -20.809 -25.352 0.139 1.00 0.00 C ATOM 1868 CG HIS A 115 -19.381 -25.104 -0.235 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -19.007 -24.207 -1.211 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -18.235 -25.656 0.226 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -17.694 -24.222 -1.336 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -17.199 -25.093 -0.476 1.00 0.00 N ATOM 0 H HIS A 115 -20.699 -25.879 2.731 1.00 0.00 H new ATOM 0 HA HIS A 115 -21.045 -23.443 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.924 -26.401 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -21.436 -25.180 -0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -18.151 -26.402 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -17.120 -23.622 -2.026 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -16.210 -25.311 -0.354 1.00 0.00 H new ATOM 1881 N HIS A 116 -23.481 -23.620 0.683 1.00 0.00 N ATOM 1882 CA HIS A 116 -24.918 -23.636 0.443 1.00 0.00 C ATOM 1883 C HIS A 116 -25.209 -22.918 -0.865 1.00 0.00 C ATOM 1884 O HIS A 116 -24.890 -21.738 -1.004 1.00 0.00 O ATOM 1885 CB HIS A 116 -25.701 -22.973 1.584 1.00 0.00 C ATOM 1886 CG HIS A 116 -25.930 -23.865 2.763 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -25.547 -23.540 4.042 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -26.517 -25.082 2.847 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -25.883 -24.517 4.860 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -26.476 -25.466 4.164 1.00 0.00 N ATOM 0 H HIS A 116 -23.012 -22.802 0.294 1.00 0.00 H new ATOM 0 HA HIS A 116 -25.241 -24.676 0.389 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -25.162 -22.085 1.913 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -26.665 -22.638 1.202 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -26.939 -25.646 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -25.702 -24.537 5.925 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -26.843 -26.340 4.541 1.00 0.00 H new ATOM 1899 N HIS A 117 -25.794 -23.648 -1.813 1.00 0.00 N ATOM 1900 CA HIS A 117 -26.085 -23.125 -3.148 1.00 0.00 C ATOM 1901 C HIS A 117 -24.786 -22.793 -3.881 1.00 0.00 C ATOM 1902 O HIS A 117 -24.234 -23.693 -4.546 1.00 0.00 O ATOM 1903 CB HIS A 117 -27.000 -21.891 -3.069 1.00 0.00 C ATOM 1904 CG HIS A 117 -27.513 -21.421 -4.400 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -28.663 -21.916 -4.981 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -27.041 -20.481 -5.254 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -28.872 -21.304 -6.132 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -27.904 -20.431 -6.320 1.00 0.00 N ATOM 1909 OXT HIS A 117 -24.318 -21.642 -3.788 1.00 0.00 O ATOM 0 H HIS A 117 -26.080 -24.618 -1.678 1.00 0.00 H new ATOM 0 HA HIS A 117 -26.613 -23.895 -3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -27.849 -22.122 -2.426 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -26.453 -21.076 -2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -26.152 -19.883 -5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -29.696 -21.488 -6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -27.811 -19.816 -7.128 1.00 0.00 H new TER 1918 HIS A 117