USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 74 THR OG1 : rot 180:sc= -0.0818 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 70 ASN : amide:sc= -2.07! C(o=-5.6!,f=-16!) USER MOD Set 2.2: A 94 HIS : no HD1:sc= -3.56! C(o=-5.6!,f=-5.5!) USER MOD Set 3.1: A 49 ASN : amide:sc= -1.86 K(o=-2.3,f=-1.4) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -0.459 K(o=-2.3,f=-5) USER MOD Set 4.1: A 32 THR OG1 : rot 30:sc= -0.515 USER MOD Set 4.2: A 34 LYS NZ :NH3+ -111:sc= 1.95 (180deg=0.0306) USER MOD Set 5.1: A 26 ASN : amide:sc= -0.983 K(o=-0.61,f=-4.1!) USER MOD Set 5.2: A 84 ASN : amide:sc= 0.369 K(o=-0.61,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 14 ASN : amide:sc= -0.882 K(o=-0.88,f=-0.0025) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -0.459 (180deg=-1.62!) USER MOD Single : A 21 SER OG : rot -42:sc= 0.542 USER MOD Single : A 23 THR OG1 : rot -175:sc= -1.89! USER MOD Single : A 42 ASN : amide:sc= -2.2! C(o=-2.2!,f=-12!) USER MOD Single : A 46 ASN : amide:sc= 0.241 K(o=0.24,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 56 ASN : amide:sc= -0.313 K(o=-0.31,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 52:sc= -0.256 USER MOD Single : A 66 THR OG1 : rot -39:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= -1.81! C(o=-1.8!,f=-12!) USER MOD Single : A 79 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.5) USER MOD Single : A 93 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.59) USER MOD Single : A 95 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.25) USER MOD Single : A 96 HIS : no HE2:sc= 0.121 K(o=0.12,f=-0.84) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.348 0.605 -45.183 1.00 51.21 N ATOM 2 CA GLY A 1 14.469 1.253 -46.197 1.00 4.53 C ATOM 3 C GLY A 1 13.036 1.461 -45.715 1.00 35.42 C ATOM 4 O GLY A 1 12.757 2.394 -44.960 1.00 63.10 O ATOM 0 H1 GLY A 1 16.305 0.493 -45.574 1.00 51.21 H new ATOM 0 H2 GLY A 1 15.389 1.198 -44.330 1.00 51.21 H new ATOM 0 H3 GLY A 1 14.964 -0.329 -44.937 1.00 51.21 H new ATOM 0 HA2 GLY A 1 14.895 2.218 -46.472 1.00 4.53 H new ATOM 0 HA3 GLY A 1 14.456 0.641 -47.099 1.00 4.53 H new ATOM 10 N ASP A 2 12.119 0.594 -46.143 1.00 30.41 N ATOM 11 CA ASP A 2 10.702 0.745 -45.798 1.00 73.43 C ATOM 12 C ASP A 2 10.288 -0.142 -44.607 1.00 70.54 C ATOM 13 O ASP A 2 9.788 -1.251 -44.775 1.00 51.55 O ATOM 14 CB ASP A 2 9.815 0.474 -47.027 1.00 30.11 C ATOM 15 CG ASP A 2 10.021 -0.912 -47.622 1.00 23.13 C ATOM 16 OD1 ASP A 2 11.092 -1.153 -48.222 1.00 64.34 O ATOM 17 OD2 ASP A 2 9.114 -1.760 -47.508 1.00 64.42 O ATOM 0 H ASP A 2 12.328 -0.216 -46.726 1.00 30.41 H new ATOM 0 HA ASP A 2 10.555 1.778 -45.483 1.00 73.43 H new ATOM 0 HB2 ASP A 2 8.769 0.589 -46.744 1.00 30.11 H new ATOM 0 HB3 ASP A 2 10.023 1.224 -47.790 1.00 30.11 H new ATOM 22 N ARG A 3 10.525 0.352 -43.395 1.00 42.01 N ATOM 23 CA ARG A 3 10.024 -0.295 -42.174 1.00 54.02 C ATOM 24 C ARG A 3 8.998 0.614 -41.489 1.00 52.32 C ATOM 25 O ARG A 3 8.925 0.701 -40.259 1.00 73.34 O ATOM 26 CB ARG A 3 11.183 -0.644 -41.227 1.00 64.22 C ATOM 27 CG ARG A 3 12.064 -1.780 -41.742 1.00 34.41 C ATOM 28 CD ARG A 3 11.254 -3.055 -41.973 1.00 4.11 C ATOM 29 NE ARG A 3 12.076 -4.167 -42.444 1.00 32.43 N ATOM 30 CZ ARG A 3 11.587 -5.280 -42.928 1.00 14.31 C ATOM 31 NH1 ARG A 3 10.310 -5.430 -43.070 1.00 4.11 N ATOM 32 NH2 ARG A 3 12.377 -6.236 -43.287 1.00 14.43 N ATOM 0 H ARG A 3 11.063 1.202 -43.226 1.00 42.01 H new ATOM 0 HA ARG A 3 9.531 -1.229 -42.443 1.00 54.02 H new ATOM 0 HB2 ARG A 3 11.798 0.243 -41.075 1.00 64.22 H new ATOM 0 HB3 ARG A 3 10.777 -0.921 -40.254 1.00 64.22 H new ATOM 0 HG2 ARG A 3 12.542 -1.478 -42.674 1.00 34.41 H new ATOM 0 HG3 ARG A 3 12.860 -1.978 -41.025 1.00 34.41 H new ATOM 0 HD2 ARG A 3 10.761 -3.341 -41.044 1.00 4.11 H new ATOM 0 HD3 ARG A 3 10.469 -2.855 -42.702 1.00 4.11 H new ATOM 0 HE ARG A 3 13.090 -4.070 -42.393 1.00 32.43 H new ATOM 0 HH11 ARG A 3 9.675 -4.677 -42.804 1.00 4.11 H new ATOM 0 HH12 ARG A 3 9.938 -6.301 -43.448 1.00 4.11 H new ATOM 0 HH21 ARG A 3 13.387 -6.125 -43.194 1.00 14.43 H new ATOM 0 HH22 ARG A 3 11.991 -7.102 -43.664 1.00 14.43 H new ATOM 46 N ARG A 4 8.195 1.274 -42.316 1.00 4.33 N ATOM 47 CA ARG A 4 7.175 2.212 -41.853 1.00 31.23 C ATOM 48 C ARG A 4 6.058 1.506 -41.066 1.00 25.53 C ATOM 49 O ARG A 4 5.128 0.946 -41.649 1.00 4.24 O ATOM 50 CB ARG A 4 6.582 2.950 -43.059 1.00 33.15 C ATOM 51 CG ARG A 4 5.553 4.017 -42.701 1.00 44.12 C ATOM 52 CD ARG A 4 4.912 4.609 -43.951 1.00 41.55 C ATOM 53 NE ARG A 4 3.997 5.703 -43.643 1.00 1.42 N ATOM 54 CZ ARG A 4 2.782 5.800 -44.113 1.00 24.01 C ATOM 55 NH1 ARG A 4 2.268 4.843 -44.819 1.00 5.35 N ATOM 56 NH2 ARG A 4 2.075 6.849 -43.851 1.00 15.32 N ATOM 0 H ARG A 4 8.232 1.174 -43.330 1.00 4.33 H new ATOM 0 HA ARG A 4 7.650 2.922 -41.175 1.00 31.23 H new ATOM 0 HB2 ARG A 4 7.393 3.417 -43.618 1.00 33.15 H new ATOM 0 HB3 ARG A 4 6.116 2.221 -43.722 1.00 33.15 H new ATOM 0 HG2 ARG A 4 4.782 3.583 -42.065 1.00 44.12 H new ATOM 0 HG3 ARG A 4 6.032 4.809 -42.125 1.00 44.12 H new ATOM 0 HD2 ARG A 4 5.693 4.970 -44.620 1.00 41.55 H new ATOM 0 HD3 ARG A 4 4.372 3.827 -44.484 1.00 41.55 H new ATOM 0 HE ARG A 4 4.328 6.440 -43.020 1.00 1.42 H new ATOM 0 HH11 ARG A 4 2.813 4.003 -45.013 1.00 5.35 H new ATOM 0 HH12 ARG A 4 1.318 4.930 -45.181 1.00 5.35 H new ATOM 0 HH21 ARG A 4 2.466 7.598 -43.279 1.00 15.32 H new ATOM 0 HH22 ARG A 4 1.126 6.929 -44.216 1.00 15.32 H new ATOM 70 N VAL A 5 6.172 1.514 -39.743 1.00 45.15 N ATOM 71 CA VAL A 5 5.120 0.989 -38.870 1.00 25.21 C ATOM 72 C VAL A 5 4.243 2.132 -38.339 1.00 60.44 C ATOM 73 O VAL A 5 4.701 3.272 -38.216 1.00 63.24 O ATOM 74 CB VAL A 5 5.715 0.193 -37.680 1.00 63.52 C ATOM 75 CG1 VAL A 5 6.482 -1.031 -38.183 1.00 2.05 C ATOM 76 CG2 VAL A 5 6.609 1.085 -36.819 1.00 35.43 C ATOM 0 H VAL A 5 6.985 1.879 -39.246 1.00 45.15 H new ATOM 0 HA VAL A 5 4.509 0.311 -39.465 1.00 25.21 H new ATOM 0 HB VAL A 5 4.892 -0.155 -37.056 1.00 63.52 H new ATOM 0 HG11 VAL A 5 6.892 -1.577 -37.334 1.00 2.05 H new ATOM 0 HG12 VAL A 5 5.806 -1.680 -38.740 1.00 2.05 H new ATOM 0 HG13 VAL A 5 7.295 -0.709 -38.834 1.00 2.05 H new ATOM 0 HG21 VAL A 5 7.014 0.503 -35.991 1.00 35.43 H new ATOM 0 HG22 VAL A 5 7.428 1.473 -37.425 1.00 35.43 H new ATOM 0 HG23 VAL A 5 6.023 1.916 -36.426 1.00 35.43 H new ATOM 86 N ARG A 6 2.980 1.840 -38.032 1.00 52.22 N ATOM 87 CA ARG A 6 2.056 2.871 -37.540 1.00 21.41 C ATOM 88 C ARG A 6 1.707 2.681 -36.054 1.00 71.31 C ATOM 89 O ARG A 6 1.102 3.563 -35.443 1.00 3.02 O ATOM 90 CB ARG A 6 0.787 2.912 -38.410 1.00 62.23 C ATOM 91 CG ARG A 6 0.060 1.575 -38.544 1.00 72.52 C ATOM 92 CD ARG A 6 -1.065 1.655 -39.575 1.00 53.22 C ATOM 93 NE ARG A 6 -1.761 0.380 -39.738 1.00 25.55 N ATOM 94 CZ ARG A 6 -2.082 -0.144 -40.891 1.00 2.23 C ATOM 95 NH1 ARG A 6 -1.787 0.464 -41.997 1.00 44.03 N ATOM 96 NH2 ARG A 6 -2.705 -1.279 -40.930 1.00 54.44 N ATOM 0 H ARG A 6 2.572 0.909 -38.113 1.00 52.22 H new ATOM 0 HA ARG A 6 2.564 3.832 -37.619 1.00 21.41 H new ATOM 0 HB2 ARG A 6 0.098 3.644 -37.989 1.00 62.23 H new ATOM 0 HB3 ARG A 6 1.057 3.264 -39.406 1.00 62.23 H new ATOM 0 HG2 ARG A 6 0.769 0.801 -38.836 1.00 72.52 H new ATOM 0 HG3 ARG A 6 -0.350 1.283 -37.577 1.00 72.52 H new ATOM 0 HD2 ARG A 6 -1.780 2.420 -39.271 1.00 53.22 H new ATOM 0 HD3 ARG A 6 -0.653 1.967 -40.535 1.00 53.22 H new ATOM 0 HE ARG A 6 -2.013 -0.135 -38.895 1.00 25.55 H new ATOM 0 HH11 ARG A 6 -1.300 1.360 -41.972 1.00 44.03 H new ATOM 0 HH12 ARG A 6 -2.042 0.047 -42.892 1.00 44.03 H new ATOM 0 HH21 ARG A 6 -2.943 -1.760 -40.063 1.00 54.44 H new ATOM 0 HH22 ARG A 6 -2.957 -1.692 -41.828 1.00 54.44 H new ATOM 110 N LEU A 7 2.092 1.532 -35.487 1.00 72.12 N ATOM 111 CA LEU A 7 1.921 1.253 -34.052 1.00 45.22 C ATOM 112 C LEU A 7 0.456 1.467 -33.621 1.00 63.12 C ATOM 113 O LEU A 7 0.084 2.528 -33.114 1.00 42.33 O ATOM 114 CB LEU A 7 2.885 2.129 -33.216 1.00 40.22 C ATOM 115 CG LEU A 7 3.285 1.582 -31.828 1.00 63.20 C ATOM 116 CD1 LEU A 7 4.365 2.459 -31.196 1.00 21.25 C ATOM 117 CD2 LEU A 7 2.080 1.473 -30.895 1.00 72.41 C ATOM 0 H LEU A 7 2.530 0.770 -36.006 1.00 72.12 H new ATOM 0 HA LEU A 7 2.168 0.207 -33.870 1.00 45.22 H new ATOM 0 HB2 LEU A 7 3.794 2.285 -33.796 1.00 40.22 H new ATOM 0 HB3 LEU A 7 2.424 3.107 -33.077 1.00 40.22 H new ATOM 0 HG LEU A 7 3.684 0.578 -31.975 1.00 63.20 H new ATOM 0 HD11 LEU A 7 4.634 2.058 -30.219 1.00 21.25 H new ATOM 0 HD12 LEU A 7 5.246 2.471 -31.838 1.00 21.25 H new ATOM 0 HD13 LEU A 7 3.987 3.475 -31.080 1.00 21.25 H new ATOM 0 HD21 LEU A 7 2.402 1.085 -29.929 1.00 72.41 H new ATOM 0 HD22 LEU A 7 1.634 2.458 -30.760 1.00 72.41 H new ATOM 0 HD23 LEU A 7 1.343 0.798 -31.330 1.00 72.41 H new ATOM 129 N ILE A 8 -0.377 0.458 -33.847 1.00 74.12 N ATOM 130 CA ILE A 8 -1.806 0.563 -33.540 1.00 62.43 C ATOM 131 C ILE A 8 -2.133 -0.074 -32.174 1.00 12.52 C ATOM 132 O ILE A 8 -1.786 -1.223 -31.900 1.00 74.34 O ATOM 133 CB ILE A 8 -2.666 -0.066 -34.680 1.00 73.41 C ATOM 134 CG1 ILE A 8 -4.164 0.298 -34.540 1.00 12.42 C ATOM 135 CG2 ILE A 8 -2.480 -1.582 -34.741 1.00 60.44 C ATOM 136 CD1 ILE A 8 -4.941 -0.531 -33.531 1.00 51.14 C ATOM 0 H ILE A 8 -0.093 -0.440 -34.240 1.00 74.12 H new ATOM 0 HA ILE A 8 -2.059 1.621 -33.475 1.00 62.43 H new ATOM 0 HB ILE A 8 -2.311 0.359 -35.619 1.00 73.41 H new ATOM 0 HG12 ILE A 8 -4.241 1.348 -34.259 1.00 12.42 H new ATOM 0 HG13 ILE A 8 -4.639 0.193 -35.515 1.00 12.42 H new ATOM 0 HG21 ILE A 8 -3.092 -1.992 -35.545 1.00 60.44 H new ATOM 0 HG22 ILE A 8 -1.431 -1.813 -34.929 1.00 60.44 H new ATOM 0 HG23 ILE A 8 -2.784 -2.024 -33.792 1.00 60.44 H new ATOM 0 HD11 ILE A 8 -5.979 -0.198 -33.508 1.00 51.14 H new ATOM 0 HD12 ILE A 8 -4.903 -1.582 -33.818 1.00 51.14 H new ATOM 0 HD13 ILE A 8 -4.499 -0.409 -32.542 1.00 51.14 H new ATOM 148 N ARG A 9 -2.789 0.703 -31.316 1.00 10.54 N ATOM 149 CA ARG A 9 -3.234 0.230 -30.000 1.00 2.22 C ATOM 150 C ARG A 9 -4.720 0.541 -29.792 1.00 64.01 C ATOM 151 O ARG A 9 -5.209 1.569 -30.267 1.00 75.52 O ATOM 152 CB ARG A 9 -2.404 0.883 -28.887 1.00 24.11 C ATOM 153 CG ARG A 9 -0.960 0.396 -28.833 1.00 43.24 C ATOM 154 CD ARG A 9 -0.160 1.099 -27.739 1.00 31.03 C ATOM 155 NE ARG A 9 1.123 0.437 -27.498 1.00 1.34 N ATOM 156 CZ ARG A 9 2.235 1.057 -27.203 1.00 4.21 C ATOM 157 NH1 ARG A 9 2.300 2.351 -27.202 1.00 31.02 N ATOM 158 NH2 ARG A 9 3.295 0.372 -26.926 1.00 53.12 N ATOM 0 H ARG A 9 -3.028 1.676 -31.509 1.00 10.54 H new ATOM 0 HA ARG A 9 -3.091 -0.850 -29.960 1.00 2.22 H new ATOM 0 HB2 ARG A 9 -2.409 1.964 -29.029 1.00 24.11 H new ATOM 0 HB3 ARG A 9 -2.881 0.686 -27.927 1.00 24.11 H new ATOM 0 HG2 ARG A 9 -0.946 -0.680 -28.658 1.00 43.24 H new ATOM 0 HG3 ARG A 9 -0.483 0.568 -29.798 1.00 43.24 H new ATOM 0 HD2 ARG A 9 0.014 2.137 -28.024 1.00 31.03 H new ATOM 0 HD3 ARG A 9 -0.740 1.115 -26.817 1.00 31.03 H new ATOM 0 HE ARG A 9 1.151 -0.580 -27.565 1.00 1.34 H new ATOM 0 HH11 ARG A 9 1.474 2.903 -27.434 1.00 31.02 H new ATOM 0 HH12 ARG A 9 3.177 2.817 -26.969 1.00 31.02 H new ATOM 0 HH21 ARG A 9 3.261 -0.647 -26.938 1.00 53.12 H new ATOM 0 HH22 ARG A 9 4.166 0.851 -26.695 1.00 53.12 H new ATOM 172 N THR A 10 -5.429 -0.347 -29.090 1.00 3.44 N ATOM 173 CA THR A 10 -6.871 -0.177 -28.840 1.00 3.40 C ATOM 174 C THR A 10 -7.440 -1.307 -27.969 1.00 43.11 C ATOM 175 O THR A 10 -6.762 -2.295 -27.686 1.00 40.14 O ATOM 176 CB THR A 10 -7.682 -0.121 -30.161 1.00 10.42 C ATOM 177 OG1 THR A 10 -9.075 0.100 -29.878 1.00 40.41 O ATOM 178 CG2 THR A 10 -7.518 -1.411 -30.965 1.00 35.40 C ATOM 0 H THR A 10 -5.031 -1.193 -28.682 1.00 3.44 H new ATOM 0 HA THR A 10 -6.970 0.771 -28.311 1.00 3.40 H new ATOM 0 HB THR A 10 -7.297 0.707 -30.756 1.00 10.42 H new ATOM 0 HG1 THR A 10 -9.578 0.135 -30.718 1.00 40.41 H new ATOM 0 HG21 THR A 10 -8.098 -1.342 -31.885 1.00 35.40 H new ATOM 0 HG22 THR A 10 -6.466 -1.556 -31.209 1.00 35.40 H new ATOM 0 HG23 THR A 10 -7.873 -2.255 -30.374 1.00 35.40 H new ATOM 186 N ARG A 11 -8.695 -1.151 -27.550 1.00 12.52 N ATOM 187 CA ARG A 11 -9.395 -2.167 -26.753 1.00 45.35 C ATOM 188 C ARG A 11 -10.920 -1.968 -26.824 1.00 42.01 C ATOM 189 O ARG A 11 -11.678 -2.936 -26.931 1.00 61.42 O ATOM 190 CB ARG A 11 -8.925 -2.156 -25.281 1.00 42.32 C ATOM 191 CG ARG A 11 -9.173 -0.844 -24.529 1.00 11.10 C ATOM 192 CD ARG A 11 -8.179 0.249 -24.920 1.00 52.43 C ATOM 193 NE ARG A 11 -8.496 1.530 -24.293 1.00 12.25 N ATOM 194 CZ ARG A 11 -7.604 2.408 -23.917 1.00 44.20 C ATOM 195 NH1 ARG A 11 -6.338 2.170 -24.059 1.00 52.44 N ATOM 196 NH2 ARG A 11 -7.980 3.524 -23.393 1.00 54.53 N ATOM 0 H ARG A 11 -9.256 -0.323 -27.750 1.00 12.52 H new ATOM 0 HA ARG A 11 -9.149 -3.139 -27.180 1.00 45.35 H new ATOM 0 HB2 ARG A 11 -9.429 -2.963 -24.749 1.00 42.32 H new ATOM 0 HB3 ARG A 11 -7.858 -2.375 -25.255 1.00 42.32 H new ATOM 0 HG2 ARG A 11 -10.187 -0.499 -24.731 1.00 11.10 H new ATOM 0 HG3 ARG A 11 -9.106 -1.025 -23.456 1.00 11.10 H new ATOM 0 HD2 ARG A 11 -7.173 -0.056 -24.632 1.00 52.43 H new ATOM 0 HD3 ARG A 11 -8.178 0.367 -26.004 1.00 52.43 H new ATOM 0 HE ARG A 11 -9.479 1.754 -24.138 1.00 12.25 H new ATOM 0 HH11 ARG A 11 -6.027 1.289 -24.468 1.00 52.44 H new ATOM 0 HH12 ARG A 11 -5.652 2.864 -23.761 1.00 52.44 H new ATOM 0 HH21 ARG A 11 -8.973 3.722 -23.272 1.00 54.53 H new ATOM 0 HH22 ARG A 11 -7.284 4.210 -23.099 1.00 54.53 H new ATOM 210 N GLY A 12 -11.362 -0.712 -26.775 1.00 45.55 N ATOM 211 CA GLY A 12 -12.790 -0.412 -26.804 1.00 62.14 C ATOM 212 C GLY A 12 -13.485 -0.686 -25.473 1.00 34.05 C ATOM 213 O GLY A 12 -12.845 -1.064 -24.488 1.00 43.34 O ATOM 0 H GLY A 12 -10.757 0.107 -26.716 1.00 45.55 H new ATOM 0 HA2 GLY A 12 -12.930 0.635 -27.072 1.00 62.14 H new ATOM 0 HA3 GLY A 12 -13.265 -1.007 -27.584 1.00 62.14 H new ATOM 217 N GLY A 13 -14.801 -0.501 -25.441 1.00 75.24 N ATOM 218 CA GLY A 13 -15.568 -0.756 -24.225 1.00 60.44 C ATOM 219 C GLY A 13 -15.893 -2.233 -24.032 1.00 22.11 C ATOM 220 O GLY A 13 -17.051 -2.605 -23.822 1.00 3.44 O ATOM 0 H GLY A 13 -15.355 -0.179 -26.234 1.00 75.24 H new ATOM 0 HA2 GLY A 13 -15.005 -0.397 -23.364 1.00 60.44 H new ATOM 0 HA3 GLY A 13 -16.496 -0.186 -24.260 1.00 60.44 H new ATOM 224 N ASN A 14 -14.870 -3.079 -24.090 1.00 24.14 N ATOM 225 CA ASN A 14 -15.056 -4.529 -24.008 1.00 62.44 C ATOM 226 C ASN A 14 -14.377 -5.124 -22.761 1.00 11.14 C ATOM 227 O ASN A 14 -13.925 -4.396 -21.874 1.00 32.40 O ATOM 228 CB ASN A 14 -14.523 -5.193 -25.286 1.00 21.13 C ATOM 229 CG ASN A 14 -15.268 -4.744 -26.536 1.00 73.45 C ATOM 230 OD1 ASN A 14 -14.700 -4.677 -27.620 1.00 65.40 O ATOM 231 ND2 ASN A 14 -16.547 -4.445 -26.406 1.00 41.32 N ATOM 0 H ASN A 14 -13.898 -2.787 -24.194 1.00 24.14 H new ATOM 0 HA ASN A 14 -16.124 -4.729 -23.917 1.00 62.44 H new ATOM 0 HB2 ASN A 14 -13.464 -4.961 -25.396 1.00 21.13 H new ATOM 0 HB3 ASN A 14 -14.604 -6.276 -25.189 1.00 21.13 H new ATOM 0 HD21 ASN A 14 -17.087 -4.150 -27.219 1.00 41.32 H new ATOM 0 HD22 ASN A 14 -16.995 -4.509 -25.492 1.00 41.32 H new ATOM 238 N THR A 15 -14.312 -6.453 -22.698 1.00 61.24 N ATOM 239 CA THR A 15 -13.802 -7.152 -21.511 1.00 74.22 C ATOM 240 C THR A 15 -12.269 -7.149 -21.454 1.00 41.01 C ATOM 241 O THR A 15 -11.604 -7.877 -22.194 1.00 43.33 O ATOM 242 CB THR A 15 -14.305 -8.616 -21.463 1.00 72.33 C ATOM 243 OG1 THR A 15 -15.736 -8.646 -21.601 1.00 1.11 O ATOM 244 CG2 THR A 15 -13.905 -9.302 -20.157 1.00 72.33 C ATOM 0 H THR A 15 -14.606 -7.071 -23.454 1.00 61.24 H new ATOM 0 HA THR A 15 -14.184 -6.607 -20.648 1.00 74.22 H new ATOM 0 HB THR A 15 -13.841 -9.156 -22.289 1.00 72.33 H new ATOM 0 HG1 THR A 15 -16.048 -9.575 -21.572 1.00 1.11 H new ATOM 0 HG21 THR A 15 -14.274 -10.328 -20.157 1.00 72.33 H new ATOM 0 HG22 THR A 15 -12.819 -9.307 -20.067 1.00 72.33 H new ATOM 0 HG23 THR A 15 -14.337 -8.761 -19.315 1.00 72.33 H new ATOM 252 N LYS A 16 -11.712 -6.316 -20.578 1.00 55.14 N ATOM 253 CA LYS A 16 -10.262 -6.282 -20.349 1.00 42.14 C ATOM 254 C LYS A 16 -9.844 -7.340 -19.319 1.00 4.05 C ATOM 255 O LYS A 16 -10.668 -7.835 -18.547 1.00 44.23 O ATOM 256 CB LYS A 16 -9.823 -4.894 -19.850 1.00 64.40 C ATOM 257 CG LYS A 16 -10.494 -4.471 -18.540 1.00 74.40 C ATOM 258 CD LYS A 16 -9.785 -3.296 -17.862 1.00 1.30 C ATOM 259 CE LYS A 16 -8.369 -3.667 -17.419 1.00 72.25 C ATOM 260 NZ LYS A 16 -7.782 -2.655 -16.501 1.00 65.12 N ATOM 0 H LYS A 16 -12.241 -5.652 -20.012 1.00 55.14 H new ATOM 0 HA LYS A 16 -9.775 -6.497 -21.300 1.00 42.14 H new ATOM 0 HB2 LYS A 16 -8.742 -4.893 -19.711 1.00 64.40 H new ATOM 0 HB3 LYS A 16 -10.047 -4.154 -20.618 1.00 64.40 H new ATOM 0 HG2 LYS A 16 -11.530 -4.198 -18.740 1.00 74.40 H new ATOM 0 HG3 LYS A 16 -10.514 -5.320 -17.857 1.00 74.40 H new ATOM 0 HD2 LYS A 16 -9.741 -2.452 -18.550 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -10.364 -2.972 -16.997 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -8.388 -4.637 -16.922 1.00 72.25 H new ATOM 0 HE3 LYS A 16 -7.731 -3.771 -18.297 1.00 72.25 H new ATOM 0 HZ1 LYS A 16 -7.018 -2.145 -16.989 1.00 65.12 H new ATOM 0 HZ2 LYS A 16 -8.519 -1.981 -16.211 1.00 65.12 H new ATOM 0 HZ3 LYS A 16 -7.398 -3.131 -15.660 1.00 65.12 H new ATOM 274 N VAL A 17 -8.562 -7.689 -19.314 1.00 74.12 N ATOM 275 CA VAL A 17 -8.010 -8.578 -18.288 1.00 14.13 C ATOM 276 C VAL A 17 -7.953 -7.853 -16.931 1.00 22.31 C ATOM 277 O VAL A 17 -7.716 -6.648 -16.889 1.00 74.30 O ATOM 278 CB VAL A 17 -6.591 -9.075 -18.677 1.00 31.00 C ATOM 279 CG1 VAL A 17 -6.041 -10.052 -17.635 1.00 10.41 C ATOM 280 CG2 VAL A 17 -6.608 -9.716 -20.065 1.00 72.23 C ATOM 0 H VAL A 17 -7.883 -7.372 -20.006 1.00 74.12 H new ATOM 0 HA VAL A 17 -8.667 -9.444 -18.209 1.00 14.13 H new ATOM 0 HB VAL A 17 -5.928 -8.210 -18.704 1.00 31.00 H new ATOM 0 HG11 VAL A 17 -5.047 -10.382 -17.935 1.00 10.41 H new ATOM 0 HG12 VAL A 17 -5.982 -9.556 -16.666 1.00 10.41 H new ATOM 0 HG13 VAL A 17 -6.703 -10.915 -17.560 1.00 10.41 H new ATOM 0 HG21 VAL A 17 -5.605 -10.058 -20.320 1.00 72.23 H new ATOM 0 HG22 VAL A 17 -7.292 -10.565 -20.065 1.00 72.23 H new ATOM 0 HG23 VAL A 17 -6.939 -8.983 -20.800 1.00 72.23 H new ATOM 290 N ARG A 18 -8.166 -8.592 -15.836 1.00 33.02 N ATOM 291 CA ARG A 18 -8.226 -8.006 -14.478 1.00 62.15 C ATOM 292 C ARG A 18 -7.143 -6.937 -14.236 1.00 35.11 C ATOM 293 O ARG A 18 -7.401 -5.907 -13.606 1.00 4.33 O ATOM 294 CB ARG A 18 -8.096 -9.110 -13.418 1.00 10.20 C ATOM 295 CG ARG A 18 -6.839 -9.964 -13.576 1.00 43.30 C ATOM 296 CD ARG A 18 -6.637 -10.916 -12.401 1.00 75.41 C ATOM 297 NE ARG A 18 -7.793 -11.783 -12.181 1.00 53.11 N ATOM 298 CZ ARG A 18 -7.715 -13.018 -11.759 1.00 31.40 C ATOM 299 NH1 ARG A 18 -6.565 -13.591 -11.590 1.00 4.40 N ATOM 300 NH2 ARG A 18 -8.795 -13.683 -11.519 1.00 74.00 N ATOM 0 H ARG A 18 -8.301 -9.603 -15.857 1.00 33.02 H new ATOM 0 HA ARG A 18 -9.195 -7.514 -14.396 1.00 62.15 H new ATOM 0 HB2 ARG A 18 -8.093 -8.653 -12.428 1.00 10.20 H new ATOM 0 HB3 ARG A 18 -8.973 -9.756 -13.468 1.00 10.20 H new ATOM 0 HG2 ARG A 18 -6.906 -10.539 -14.500 1.00 43.30 H new ATOM 0 HG3 ARG A 18 -5.969 -9.314 -13.668 1.00 43.30 H new ATOM 0 HD2 ARG A 18 -5.755 -11.530 -12.582 1.00 75.41 H new ATOM 0 HD3 ARG A 18 -6.443 -10.338 -11.498 1.00 75.41 H new ATOM 0 HE ARG A 18 -8.720 -11.400 -12.369 1.00 53.11 H new ATOM 0 HH11 ARG A 18 -5.706 -13.078 -11.787 1.00 4.40 H new ATOM 0 HH12 ARG A 18 -6.519 -14.555 -11.260 1.00 4.40 H new ATOM 0 HH21 ARG A 18 -9.705 -13.245 -11.659 1.00 74.00 H new ATOM 0 HH22 ARG A 18 -8.738 -14.647 -11.190 1.00 74.00 H new ATOM 314 N LEU A 19 -5.939 -7.193 -14.740 1.00 32.21 N ATOM 315 CA LEU A 19 -4.814 -6.268 -14.591 1.00 24.25 C ATOM 316 C LEU A 19 -3.931 -6.309 -15.850 1.00 14.13 C ATOM 317 O LEU A 19 -3.524 -7.386 -16.297 1.00 13.01 O ATOM 318 CB LEU A 19 -4.005 -6.642 -13.328 1.00 61.30 C ATOM 319 CG LEU A 19 -2.888 -5.661 -12.900 1.00 10.44 C ATOM 320 CD1 LEU A 19 -2.494 -5.914 -11.442 1.00 71.14 C ATOM 321 CD2 LEU A 19 -1.659 -5.783 -13.808 1.00 42.13 C ATOM 0 H LEU A 19 -5.714 -8.041 -15.260 1.00 32.21 H new ATOM 0 HA LEU A 19 -5.186 -5.250 -14.474 1.00 24.25 H new ATOM 0 HB2 LEU A 19 -4.702 -6.747 -12.497 1.00 61.30 H new ATOM 0 HB3 LEU A 19 -3.554 -7.621 -13.491 1.00 61.30 H new ATOM 0 HG LEU A 19 -3.277 -4.647 -12.996 1.00 10.44 H new ATOM 0 HD11 LEU A 19 -1.707 -5.218 -11.152 1.00 71.14 H new ATOM 0 HD12 LEU A 19 -3.363 -5.768 -10.800 1.00 71.14 H new ATOM 0 HD13 LEU A 19 -2.131 -6.936 -11.335 1.00 71.14 H new ATOM 0 HD21 LEU A 19 -0.893 -5.080 -13.480 1.00 42.13 H new ATOM 0 HD22 LEU A 19 -1.267 -6.798 -13.755 1.00 42.13 H new ATOM 0 HD23 LEU A 19 -1.942 -5.557 -14.836 1.00 42.13 H new ATOM 333 N ALA A 20 -3.643 -5.144 -16.425 1.00 65.22 N ATOM 334 CA ALA A 20 -2.784 -5.058 -17.614 1.00 2.14 C ATOM 335 C ALA A 20 -1.654 -4.032 -17.422 1.00 52.41 C ATOM 336 O ALA A 20 -0.474 -4.389 -17.376 1.00 72.12 O ATOM 337 CB ALA A 20 -3.625 -4.711 -18.841 1.00 62.25 C ATOM 0 H ALA A 20 -3.989 -4.245 -16.091 1.00 65.22 H new ATOM 0 HA ALA A 20 -2.317 -6.031 -17.766 1.00 2.14 H new ATOM 0 HB1 ALA A 20 -2.981 -4.649 -19.718 1.00 62.25 H new ATOM 0 HB2 ALA A 20 -4.377 -5.484 -18.997 1.00 62.25 H new ATOM 0 HB3 ALA A 20 -4.118 -3.752 -18.685 1.00 62.25 H new ATOM 343 N SER A 21 -2.031 -2.763 -17.300 1.00 63.11 N ATOM 344 CA SER A 21 -1.065 -1.660 -17.139 1.00 43.01 C ATOM 345 C SER A 21 -1.621 -0.608 -16.171 1.00 74.21 C ATOM 346 O SER A 21 -1.143 0.525 -16.095 1.00 11.14 O ATOM 347 CB SER A 21 -0.771 -1.025 -18.507 1.00 3.24 C ATOM 348 OG SER A 21 0.247 -0.039 -18.428 1.00 5.25 O ATOM 0 H SER A 21 -3.006 -2.462 -17.309 1.00 63.11 H new ATOM 0 HA SER A 21 -0.137 -2.055 -16.725 1.00 43.01 H new ATOM 0 HB2 SER A 21 -0.470 -1.802 -19.210 1.00 3.24 H new ATOM 0 HB3 SER A 21 -1.682 -0.575 -18.901 1.00 3.24 H new ATOM 0 HG SER A 21 0.108 0.512 -17.630 1.00 5.25 H new ATOM 354 N ASP A 22 -2.628 -1.023 -15.413 1.00 51.20 N ATOM 355 CA ASP A 22 -3.389 -0.138 -14.530 1.00 25.54 C ATOM 356 C ASP A 22 -3.146 -0.458 -13.043 1.00 12.01 C ATOM 357 O ASP A 22 -3.951 -0.104 -12.175 1.00 13.14 O ATOM 358 CB ASP A 22 -4.880 -0.268 -14.884 1.00 54.21 C ATOM 359 CG ASP A 22 -5.337 -1.719 -15.022 1.00 30.10 C ATOM 360 OD1 ASP A 22 -4.819 -2.439 -15.915 1.00 33.31 O ATOM 361 OD2 ASP A 22 -6.234 -2.141 -14.272 1.00 64.15 O ATOM 0 H ASP A 22 -2.945 -1.992 -15.391 1.00 51.20 H new ATOM 0 HA ASP A 22 -3.055 0.889 -14.681 1.00 25.54 H new ATOM 0 HB2 ASP A 22 -5.475 0.223 -14.113 1.00 54.21 H new ATOM 0 HB3 ASP A 22 -5.073 0.258 -15.819 1.00 54.21 H new ATOM 366 N THR A 23 -2.008 -1.095 -12.757 1.00 54.52 N ATOM 367 CA THR A 23 -1.671 -1.541 -11.395 1.00 12.41 C ATOM 368 C THR A 23 -1.489 -0.360 -10.425 1.00 72.12 C ATOM 369 O THR A 23 -0.531 0.405 -10.541 1.00 2.41 O ATOM 370 CB THR A 23 -0.360 -2.370 -11.391 1.00 43.05 C ATOM 371 OG1 THR A 23 -0.371 -3.326 -12.460 1.00 75.42 O ATOM 372 CG2 THR A 23 -0.174 -3.102 -10.064 1.00 11.43 C ATOM 0 H THR A 23 -1.297 -1.317 -13.454 1.00 54.52 H new ATOM 0 HA THR A 23 -2.509 -2.153 -11.061 1.00 12.41 H new ATOM 0 HB THR A 23 0.469 -1.676 -11.528 1.00 43.05 H new ATOM 0 HG1 THR A 23 0.425 -3.894 -12.399 1.00 75.42 H new ATOM 0 HG21 THR A 23 0.753 -3.674 -10.091 1.00 11.43 H new ATOM 0 HG22 THR A 23 -0.129 -2.377 -9.252 1.00 11.43 H new ATOM 0 HG23 THR A 23 -1.013 -3.778 -9.901 1.00 11.43 H new ATOM 380 N ARG A 24 -2.391 -0.239 -9.448 1.00 25.43 N ATOM 381 CA ARG A 24 -2.323 0.833 -8.443 1.00 11.22 C ATOM 382 C ARG A 24 -2.945 0.405 -7.105 1.00 20.22 C ATOM 383 O ARG A 24 -3.713 -0.555 -7.040 1.00 50.24 O ATOM 384 CB ARG A 24 -3.022 2.104 -8.954 1.00 3.34 C ATOM 385 CG ARG A 24 -2.188 2.917 -9.939 1.00 52.11 C ATOM 386 CD ARG A 24 -2.945 4.130 -10.467 1.00 64.25 C ATOM 387 NE ARG A 24 -2.081 5.004 -11.255 1.00 34.21 N ATOM 388 CZ ARG A 24 -2.375 5.464 -12.441 1.00 32.53 C ATOM 389 NH1 ARG A 24 -3.457 5.094 -13.054 1.00 52.31 N ATOM 390 NH2 ARG A 24 -1.565 6.277 -13.033 1.00 72.21 N ATOM 0 H ARG A 24 -3.182 -0.872 -9.329 1.00 25.43 H new ATOM 0 HA ARG A 24 -1.267 1.044 -8.274 1.00 11.22 H new ATOM 0 HB2 ARG A 24 -3.960 1.823 -9.433 1.00 3.34 H new ATOM 0 HB3 ARG A 24 -3.276 2.734 -8.102 1.00 3.34 H new ATOM 0 HG2 ARG A 24 -1.271 3.247 -9.451 1.00 52.11 H new ATOM 0 HG3 ARG A 24 -1.894 2.282 -10.775 1.00 52.11 H new ATOM 0 HD2 ARG A 24 -3.783 3.798 -11.080 1.00 64.25 H new ATOM 0 HD3 ARG A 24 -3.364 4.690 -9.631 1.00 64.25 H new ATOM 0 HE ARG A 24 -1.184 5.274 -10.851 1.00 34.21 H new ATOM 0 HH11 ARG A 24 -4.094 4.433 -12.610 1.00 52.31 H new ATOM 0 HH12 ARG A 24 -3.670 5.464 -13.980 1.00 52.31 H new ATOM 0 HH21 ARG A 24 -0.698 6.558 -12.574 1.00 72.21 H new ATOM 0 HH22 ARG A 24 -1.792 6.638 -13.960 1.00 72.21 H new ATOM 404 N ILE A 25 -2.602 1.135 -6.044 1.00 70.31 N ATOM 405 CA ILE A 25 -3.136 0.870 -4.703 1.00 2.21 C ATOM 406 C ILE A 25 -3.242 2.168 -3.875 1.00 32.45 C ATOM 407 O ILE A 25 -2.407 3.069 -3.997 1.00 62.53 O ATOM 408 CB ILE A 25 -2.254 -0.164 -3.948 1.00 21.03 C ATOM 409 CG1 ILE A 25 -2.887 -0.541 -2.594 1.00 3.30 C ATOM 410 CG2 ILE A 25 -0.833 0.375 -3.757 1.00 54.41 C ATOM 411 CD1 ILE A 25 -2.157 -1.652 -1.867 1.00 73.20 C ATOM 0 H ILE A 25 -1.952 1.920 -6.086 1.00 70.31 H new ATOM 0 HA ILE A 25 -4.137 0.456 -4.829 1.00 2.21 H new ATOM 0 HB ILE A 25 -2.195 -1.068 -4.554 1.00 21.03 H new ATOM 0 HG12 ILE A 25 -2.912 0.343 -1.956 1.00 3.30 H new ATOM 0 HG13 ILE A 25 -3.921 -0.845 -2.759 1.00 3.30 H new ATOM 0 HG21 ILE A 25 -0.232 -0.364 -3.227 1.00 54.41 H new ATOM 0 HG22 ILE A 25 -0.386 0.575 -4.731 1.00 54.41 H new ATOM 0 HG23 ILE A 25 -0.869 1.298 -3.178 1.00 54.41 H new ATOM 0 HD11 ILE A 25 -2.661 -1.862 -0.923 1.00 73.20 H new ATOM 0 HD12 ILE A 25 -2.154 -2.550 -2.484 1.00 73.20 H new ATOM 0 HD13 ILE A 25 -1.130 -1.344 -1.670 1.00 73.20 H new ATOM 423 N ASN A 26 -4.286 2.259 -3.050 1.00 1.13 N ATOM 424 CA ASN A 26 -4.485 3.410 -2.158 1.00 2.33 C ATOM 425 C ASN A 26 -3.593 3.302 -0.914 1.00 3.43 C ATOM 426 O ASN A 26 -3.833 2.473 -0.036 1.00 41.42 O ATOM 427 CB ASN A 26 -5.958 3.505 -1.738 1.00 74.22 C ATOM 428 CG ASN A 26 -6.868 3.821 -2.907 1.00 14.14 C ATOM 429 OD1 ASN A 26 -6.487 4.528 -3.831 1.00 65.01 O ATOM 430 ND2 ASN A 26 -8.076 3.304 -2.877 1.00 3.11 N ATOM 0 H ASN A 26 -5.013 1.547 -2.979 1.00 1.13 H new ATOM 0 HA ASN A 26 -4.208 4.313 -2.702 1.00 2.33 H new ATOM 0 HB2 ASN A 26 -6.266 2.563 -1.285 1.00 74.22 H new ATOM 0 HB3 ASN A 26 -6.068 4.276 -0.976 1.00 74.22 H new ATOM 0 HD21 ASN A 26 -8.728 3.488 -3.639 1.00 3.11 H new ATOM 0 HD22 ASN A 26 -8.361 2.719 -2.092 1.00 3.11 H new ATOM 437 N VAL A 27 -2.567 4.144 -0.850 1.00 51.51 N ATOM 438 CA VAL A 27 -1.585 4.098 0.239 1.00 64.33 C ATOM 439 C VAL A 27 -1.939 5.080 1.373 1.00 1.34 C ATOM 440 O VAL A 27 -2.031 6.288 1.154 1.00 72.23 O ATOM 441 CB VAL A 27 -0.171 4.433 -0.295 1.00 63.42 C ATOM 442 CG1 VAL A 27 0.889 4.240 0.786 1.00 5.20 C ATOM 443 CG2 VAL A 27 0.144 3.593 -1.530 1.00 43.24 C ATOM 0 H VAL A 27 -2.389 4.872 -1.542 1.00 51.51 H new ATOM 0 HA VAL A 27 -1.601 3.085 0.641 1.00 64.33 H new ATOM 0 HB VAL A 27 -0.156 5.484 -0.582 1.00 63.42 H new ATOM 0 HG11 VAL A 27 1.871 4.483 0.380 1.00 5.20 H new ATOM 0 HG12 VAL A 27 0.672 4.896 1.629 1.00 5.20 H new ATOM 0 HG13 VAL A 27 0.882 3.203 1.122 1.00 5.20 H new ATOM 0 HG21 VAL A 27 1.141 3.840 -1.893 1.00 43.24 H new ATOM 0 HG22 VAL A 27 0.104 2.535 -1.270 1.00 43.24 H new ATOM 0 HG23 VAL A 27 -0.588 3.803 -2.309 1.00 43.24 H new ATOM 453 N VAL A 28 -2.135 4.558 2.582 1.00 40.33 N ATOM 454 CA VAL A 28 -2.421 5.398 3.752 1.00 53.33 C ATOM 455 C VAL A 28 -1.223 5.427 4.718 1.00 43.21 C ATOM 456 O VAL A 28 -0.814 4.396 5.249 1.00 45.45 O ATOM 457 CB VAL A 28 -3.680 4.900 4.512 1.00 24.05 C ATOM 458 CG1 VAL A 28 -3.992 5.806 5.705 1.00 74.20 C ATOM 459 CG2 VAL A 28 -4.877 4.810 3.564 1.00 41.03 C ATOM 0 H VAL A 28 -2.102 3.558 2.781 1.00 40.33 H new ATOM 0 HA VAL A 28 -2.608 6.406 3.382 1.00 53.33 H new ATOM 0 HB VAL A 28 -3.475 3.901 4.897 1.00 24.05 H new ATOM 0 HG11 VAL A 28 -4.878 5.436 6.221 1.00 74.20 H new ATOM 0 HG12 VAL A 28 -3.146 5.807 6.392 1.00 74.20 H new ATOM 0 HG13 VAL A 28 -4.175 6.821 5.353 1.00 74.20 H new ATOM 0 HG21 VAL A 28 -5.751 4.459 4.113 1.00 41.03 H new ATOM 0 HG22 VAL A 28 -5.083 5.794 3.144 1.00 41.03 H new ATOM 0 HG23 VAL A 28 -4.651 4.112 2.758 1.00 41.03 H new ATOM 469 N ASP A 29 -0.661 6.613 4.929 1.00 22.54 N ATOM 470 CA ASP A 29 0.496 6.785 5.814 1.00 35.22 C ATOM 471 C ASP A 29 0.084 6.670 7.299 1.00 22.13 C ATOM 472 O ASP A 29 -0.726 7.460 7.786 1.00 34.31 O ATOM 473 CB ASP A 29 1.132 8.156 5.548 1.00 40.52 C ATOM 474 CG ASP A 29 2.520 8.311 6.153 1.00 74.03 C ATOM 475 OD1 ASP A 29 2.708 7.969 7.335 1.00 61.52 O ATOM 476 OD2 ASP A 29 3.416 8.825 5.461 1.00 14.43 O ATOM 0 H ASP A 29 -0.988 7.478 4.498 1.00 22.54 H new ATOM 0 HA ASP A 29 1.218 5.995 5.607 1.00 35.22 H new ATOM 0 HB2 ASP A 29 1.194 8.316 4.472 1.00 40.52 H new ATOM 0 HB3 ASP A 29 0.481 8.933 5.949 1.00 40.52 H new ATOM 481 N PRO A 30 0.635 5.686 8.037 1.00 44.22 N ATOM 482 CA PRO A 30 0.343 5.501 9.471 1.00 62.11 C ATOM 483 C PRO A 30 0.952 6.600 10.367 1.00 74.40 C ATOM 484 O PRO A 30 0.417 6.913 11.435 1.00 43.43 O ATOM 485 CB PRO A 30 0.977 4.129 9.799 1.00 13.43 C ATOM 486 CG PRO A 30 1.321 3.515 8.477 1.00 60.34 C ATOM 487 CD PRO A 30 1.562 4.662 7.539 1.00 32.25 C ATOM 0 HA PRO A 30 -0.729 5.554 9.663 1.00 62.11 H new ATOM 0 HB2 PRO A 30 1.866 4.247 10.419 1.00 13.43 H new ATOM 0 HB3 PRO A 30 0.282 3.499 10.354 1.00 13.43 H new ATOM 0 HG2 PRO A 30 2.206 2.884 8.558 1.00 60.34 H new ATOM 0 HG3 PRO A 30 0.510 2.881 8.118 1.00 60.34 H new ATOM 0 HD2 PRO A 30 2.597 5.002 7.573 1.00 32.25 H new ATOM 0 HD3 PRO A 30 1.349 4.391 6.505 1.00 32.25 H new ATOM 495 N GLU A 31 2.062 7.191 9.926 1.00 73.34 N ATOM 496 CA GLU A 31 2.810 8.159 10.744 1.00 14.33 C ATOM 497 C GLU A 31 2.284 9.596 10.580 1.00 61.44 C ATOM 498 O GLU A 31 2.132 10.327 11.560 1.00 71.25 O ATOM 499 CB GLU A 31 4.300 8.116 10.368 1.00 42.44 C ATOM 500 CG GLU A 31 4.938 6.739 10.507 1.00 64.43 C ATOM 501 CD GLU A 31 6.414 6.736 10.128 1.00 53.32 C ATOM 502 OE1 GLU A 31 7.252 7.096 10.985 1.00 3.34 O ATOM 503 OE2 GLU A 31 6.737 6.379 8.972 1.00 20.11 O ATOM 0 H GLU A 31 2.468 7.019 9.006 1.00 73.34 H new ATOM 0 HA GLU A 31 2.673 7.874 11.787 1.00 14.33 H new ATOM 0 HB2 GLU A 31 4.414 8.455 9.338 1.00 42.44 H new ATOM 0 HB3 GLU A 31 4.843 8.821 10.997 1.00 42.44 H new ATOM 0 HG2 GLU A 31 4.830 6.395 11.536 1.00 64.43 H new ATOM 0 HG3 GLU A 31 4.403 6.029 9.876 1.00 64.43 H new ATOM 510 N THR A 32 2.016 9.998 9.340 1.00 71.53 N ATOM 511 CA THR A 32 1.554 11.368 9.043 1.00 31.13 C ATOM 512 C THR A 32 0.054 11.421 8.724 1.00 21.03 C ATOM 513 O THR A 32 -0.554 12.494 8.722 1.00 42.30 O ATOM 514 CB THR A 32 2.338 11.985 7.858 1.00 12.11 C ATOM 515 OG1 THR A 32 2.260 11.123 6.715 1.00 10.01 O ATOM 516 CG2 THR A 32 3.801 12.212 8.223 1.00 61.11 C ATOM 0 H THR A 32 2.108 9.400 8.519 1.00 71.53 H new ATOM 0 HA THR A 32 1.740 11.948 9.947 1.00 31.13 H new ATOM 0 HB THR A 32 1.886 12.949 7.623 1.00 12.11 H new ATOM 0 HG1 THR A 32 1.414 10.629 6.735 1.00 10.01 H new ATOM 0 HG21 THR A 32 4.325 12.646 7.372 1.00 61.11 H new ATOM 0 HG22 THR A 32 3.863 12.892 9.072 1.00 61.11 H new ATOM 0 HG23 THR A 32 4.262 11.260 8.487 1.00 61.11 H new ATOM 524 N GLY A 33 -0.539 10.262 8.446 1.00 11.21 N ATOM 525 CA GLY A 33 -1.973 10.191 8.188 1.00 63.25 C ATOM 526 C GLY A 33 -2.393 10.782 6.843 1.00 14.33 C ATOM 527 O GLY A 33 -3.518 11.269 6.700 1.00 22.42 O ATOM 0 H GLY A 33 -0.053 9.367 8.394 1.00 11.21 H new ATOM 0 HA2 GLY A 33 -2.288 9.148 8.229 1.00 63.25 H new ATOM 0 HA3 GLY A 33 -2.501 10.715 8.984 1.00 63.25 H new ATOM 531 N LYS A 34 -1.494 10.753 5.858 1.00 22.22 N ATOM 532 CA LYS A 34 -1.818 11.224 4.502 1.00 43.12 C ATOM 533 C LYS A 34 -2.127 10.049 3.557 1.00 1.52 C ATOM 534 O LYS A 34 -1.544 8.973 3.676 1.00 4.33 O ATOM 535 CB LYS A 34 -0.667 12.072 3.930 1.00 72.13 C ATOM 536 CG LYS A 34 0.664 11.334 3.807 1.00 21.01 C ATOM 537 CD LYS A 34 1.718 12.191 3.107 1.00 52.22 C ATOM 538 CE LYS A 34 3.082 11.507 3.061 1.00 61.41 C ATOM 539 NZ LYS A 34 3.641 11.286 4.418 1.00 31.01 N ATOM 0 H LYS A 34 -0.539 10.411 5.968 1.00 22.22 H new ATOM 0 HA LYS A 34 -2.711 11.844 4.576 1.00 43.12 H new ATOM 0 HB2 LYS A 34 -0.957 12.438 2.945 1.00 72.13 H new ATOM 0 HB3 LYS A 34 -0.526 12.946 4.566 1.00 72.13 H new ATOM 0 HG2 LYS A 34 1.020 11.056 4.799 1.00 21.01 H new ATOM 0 HG3 LYS A 34 0.518 10.409 3.250 1.00 21.01 H new ATOM 0 HD2 LYS A 34 1.389 12.410 2.091 1.00 52.22 H new ATOM 0 HD3 LYS A 34 1.810 13.146 3.625 1.00 52.22 H new ATOM 0 HE2 LYS A 34 2.990 10.550 2.547 1.00 61.41 H new ATOM 0 HE3 LYS A 34 3.773 12.117 2.479 1.00 61.41 H new ATOM 0 HZ1 LYS A 34 4.466 11.904 4.559 1.00 31.01 H new ATOM 0 HZ2 LYS A 34 2.917 11.507 5.132 1.00 31.01 H new ATOM 0 HZ3 LYS A 34 3.932 10.292 4.516 1.00 31.01 H new ATOM 553 N VAL A 35 -3.052 10.262 2.620 1.00 65.41 N ATOM 554 CA VAL A 35 -3.439 9.224 1.651 1.00 71.02 C ATOM 555 C VAL A 35 -2.967 9.580 0.230 1.00 61.00 C ATOM 556 O VAL A 35 -3.153 10.703 -0.234 1.00 4.15 O ATOM 557 CB VAL A 35 -4.976 9.014 1.639 1.00 13.42 C ATOM 558 CG1 VAL A 35 -5.378 7.917 0.651 1.00 72.52 C ATOM 559 CG2 VAL A 35 -5.490 8.694 3.041 1.00 24.42 C ATOM 0 H VAL A 35 -3.551 11.145 2.508 1.00 65.41 H new ATOM 0 HA VAL A 35 -2.953 8.300 1.965 1.00 71.02 H new ATOM 0 HB VAL A 35 -5.437 9.945 1.309 1.00 13.42 H new ATOM 0 HG11 VAL A 35 -6.461 7.793 0.665 1.00 72.52 H new ATOM 0 HG12 VAL A 35 -5.058 8.196 -0.353 1.00 72.52 H new ATOM 0 HG13 VAL A 35 -4.902 6.979 0.936 1.00 72.52 H new ATOM 0 HG21 VAL A 35 -6.570 8.551 3.009 1.00 24.42 H new ATOM 0 HG22 VAL A 35 -5.014 7.783 3.404 1.00 24.42 H new ATOM 0 HG23 VAL A 35 -5.253 9.519 3.712 1.00 24.42 H new ATOM 569 N GLU A 36 -2.362 8.612 -0.454 1.00 45.55 N ATOM 570 CA GLU A 36 -1.831 8.821 -1.808 1.00 3.21 C ATOM 571 C GLU A 36 -1.941 7.537 -2.650 1.00 2.40 C ATOM 572 O GLU A 36 -1.711 6.438 -2.150 1.00 33.41 O ATOM 573 CB GLU A 36 -0.359 9.268 -1.718 1.00 63.54 C ATOM 574 CG GLU A 36 0.322 9.501 -3.067 1.00 73.30 C ATOM 575 CD GLU A 36 -0.237 10.693 -3.824 1.00 23.32 C ATOM 576 OE1 GLU A 36 0.187 11.835 -3.541 1.00 2.14 O ATOM 577 OE2 GLU A 36 -1.090 10.495 -4.716 1.00 65.12 O ATOM 0 H GLU A 36 -2.224 7.668 -0.094 1.00 45.55 H new ATOM 0 HA GLU A 36 -2.421 9.596 -2.297 1.00 3.21 H new ATOM 0 HB2 GLU A 36 -0.308 10.189 -1.137 1.00 63.54 H new ATOM 0 HB3 GLU A 36 0.203 8.513 -1.168 1.00 63.54 H new ATOM 0 HG2 GLU A 36 1.390 9.650 -2.906 1.00 73.30 H new ATOM 0 HG3 GLU A 36 0.213 8.606 -3.680 1.00 73.30 H new ATOM 584 N ILE A 37 -2.304 7.673 -3.921 1.00 25.34 N ATOM 585 CA ILE A 37 -2.394 6.516 -4.821 1.00 31.22 C ATOM 586 C ILE A 37 -1.033 6.215 -5.475 1.00 2.21 C ATOM 587 O ILE A 37 -0.423 7.086 -6.101 1.00 12.25 O ATOM 588 CB ILE A 37 -3.463 6.729 -5.922 1.00 41.05 C ATOM 589 CG1 ILE A 37 -4.842 6.983 -5.287 1.00 74.22 C ATOM 590 CG2 ILE A 37 -3.516 5.521 -6.860 1.00 72.23 C ATOM 591 CD1 ILE A 37 -5.951 7.211 -6.291 1.00 44.04 C ATOM 0 H ILE A 37 -2.541 8.565 -4.355 1.00 25.34 H new ATOM 0 HA ILE A 37 -2.692 5.664 -4.211 1.00 31.22 H new ATOM 0 HB ILE A 37 -3.186 7.605 -6.509 1.00 41.05 H new ATOM 0 HG12 ILE A 37 -5.104 6.131 -4.660 1.00 74.22 H new ATOM 0 HG13 ILE A 37 -4.774 7.852 -4.633 1.00 74.22 H new ATOM 0 HG21 ILE A 37 -4.272 5.689 -7.627 1.00 72.23 H new ATOM 0 HG22 ILE A 37 -2.544 5.385 -7.333 1.00 72.23 H new ATOM 0 HG23 ILE A 37 -3.770 4.628 -6.289 1.00 72.23 H new ATOM 0 HD11 ILE A 37 -6.890 7.382 -5.764 1.00 44.04 H new ATOM 0 HD12 ILE A 37 -5.714 8.081 -6.903 1.00 44.04 H new ATOM 0 HD13 ILE A 37 -6.049 6.334 -6.930 1.00 44.04 H new ATOM 603 N ALA A 38 -0.566 4.975 -5.334 1.00 42.30 N ATOM 604 CA ALA A 38 0.752 4.573 -5.846 1.00 42.33 C ATOM 605 C ALA A 38 0.663 3.397 -6.833 1.00 43.25 C ATOM 606 O ALA A 38 -0.275 2.598 -6.778 1.00 23.30 O ATOM 607 CB ALA A 38 1.658 4.202 -4.679 1.00 23.23 C ATOM 0 H ALA A 38 -1.079 4.226 -4.869 1.00 42.30 H new ATOM 0 HA ALA A 38 1.167 5.421 -6.391 1.00 42.33 H new ATOM 0 HB1 ALA A 38 2.636 3.904 -5.058 1.00 23.23 H new ATOM 0 HB2 ALA A 38 1.772 5.062 -4.019 1.00 23.23 H new ATOM 0 HB3 ALA A 38 1.216 3.374 -4.124 1.00 23.23 H new ATOM 613 N GLU A 39 1.647 3.293 -7.729 1.00 11.10 N ATOM 614 CA GLU A 39 1.749 2.147 -8.644 1.00 42.04 C ATOM 615 C GLU A 39 2.603 1.034 -8.019 1.00 10.34 C ATOM 616 O GLU A 39 3.688 1.293 -7.489 1.00 31.13 O ATOM 617 CB GLU A 39 2.354 2.555 -10.002 1.00 4.04 C ATOM 618 CG GLU A 39 1.495 3.515 -10.827 1.00 34.32 C ATOM 619 CD GLU A 39 1.529 4.945 -10.316 1.00 40.30 C ATOM 620 OE1 GLU A 39 2.618 5.554 -10.332 1.00 14.04 O ATOM 621 OE2 GLU A 39 0.469 5.476 -9.912 1.00 41.33 O ATOM 0 H GLU A 39 2.386 3.987 -7.843 1.00 11.10 H new ATOM 0 HA GLU A 39 0.737 1.779 -8.815 1.00 42.04 H new ATOM 0 HB2 GLU A 39 3.325 3.019 -9.826 1.00 4.04 H new ATOM 0 HB3 GLU A 39 2.533 1.654 -10.589 1.00 4.04 H new ATOM 0 HG2 GLU A 39 1.837 3.499 -11.862 1.00 34.32 H new ATOM 0 HG3 GLU A 39 0.464 3.161 -10.826 1.00 34.32 H new ATOM 628 N ILE A 40 2.117 -0.202 -8.086 1.00 23.55 N ATOM 629 CA ILE A 40 2.826 -1.341 -7.495 1.00 14.21 C ATOM 630 C ILE A 40 3.915 -1.880 -8.438 1.00 24.21 C ATOM 631 O ILE A 40 3.617 -2.402 -9.515 1.00 52.44 O ATOM 632 CB ILE A 40 1.851 -2.491 -7.134 1.00 35.54 C ATOM 633 CG1 ILE A 40 0.737 -1.979 -6.203 1.00 12.41 C ATOM 634 CG2 ILE A 40 2.604 -3.657 -6.486 1.00 54.30 C ATOM 635 CD1 ILE A 40 -0.288 -3.033 -5.831 1.00 61.30 C ATOM 0 H ILE A 40 1.237 -0.444 -8.542 1.00 23.55 H new ATOM 0 HA ILE A 40 3.297 -0.974 -6.583 1.00 14.21 H new ATOM 0 HB ILE A 40 1.392 -2.853 -8.054 1.00 35.54 H new ATOM 0 HG12 ILE A 40 1.190 -1.589 -5.291 1.00 12.41 H new ATOM 0 HG13 ILE A 40 0.227 -1.146 -6.687 1.00 12.41 H new ATOM 0 HG21 ILE A 40 1.901 -4.453 -6.241 1.00 54.30 H new ATOM 0 HG22 ILE A 40 3.354 -4.036 -7.180 1.00 54.30 H new ATOM 0 HG23 ILE A 40 3.094 -3.312 -5.575 1.00 54.30 H new ATOM 0 HD11 ILE A 40 -1.039 -2.594 -5.174 1.00 61.30 H new ATOM 0 HD12 ILE A 40 -0.770 -3.406 -6.734 1.00 61.30 H new ATOM 0 HD13 ILE A 40 0.207 -3.857 -5.317 1.00 61.30 H new ATOM 647 N ARG A 41 5.172 -1.757 -8.021 1.00 70.43 N ATOM 648 CA ARG A 41 6.308 -2.253 -8.807 1.00 32.13 C ATOM 649 C ARG A 41 6.397 -3.785 -8.749 1.00 55.14 C ATOM 650 O ARG A 41 6.560 -4.448 -9.775 1.00 20.00 O ATOM 651 CB ARG A 41 7.618 -1.627 -8.299 1.00 34.24 C ATOM 652 CG ARG A 41 7.678 -0.111 -8.461 1.00 72.10 C ATOM 653 CD ARG A 41 8.969 0.476 -7.891 1.00 44.32 C ATOM 654 NE ARG A 41 10.167 -0.068 -8.540 1.00 21.14 N ATOM 655 CZ ARG A 41 11.296 0.582 -8.654 1.00 74.30 C ATOM 656 NH1 ARG A 41 11.397 1.800 -8.232 1.00 32.44 N ATOM 657 NH2 ARG A 41 12.321 0.020 -9.203 1.00 34.32 N ATOM 0 H ARG A 41 5.435 -1.317 -7.139 1.00 70.43 H new ATOM 0 HA ARG A 41 6.152 -1.962 -9.846 1.00 32.13 H new ATOM 0 HB2 ARG A 41 7.744 -1.876 -7.245 1.00 34.24 H new ATOM 0 HB3 ARG A 41 8.455 -2.074 -8.835 1.00 34.24 H new ATOM 0 HG2 ARG A 41 7.600 0.144 -9.518 1.00 72.10 H new ATOM 0 HG3 ARG A 41 6.822 0.341 -7.960 1.00 72.10 H new ATOM 0 HD2 ARG A 41 8.955 1.559 -8.010 1.00 44.32 H new ATOM 0 HD3 ARG A 41 9.015 0.273 -6.821 1.00 44.32 H new ATOM 0 HE ARG A 41 10.116 -1.011 -8.926 1.00 21.14 H new ATOM 0 HH11 ARG A 41 10.593 2.261 -7.807 1.00 32.44 H new ATOM 0 HH12 ARG A 41 12.281 2.300 -8.325 1.00 32.44 H new ATOM 0 HH21 ARG A 41 12.253 -0.936 -9.551 1.00 34.32 H new ATOM 0 HH22 ARG A 41 13.199 0.533 -9.289 1.00 34.32 H new ATOM 671 N ASN A 42 6.280 -4.343 -7.546 1.00 61.05 N ATOM 672 CA ASN A 42 6.345 -5.799 -7.358 1.00 0.31 C ATOM 673 C ASN A 42 5.311 -6.263 -6.314 1.00 3.32 C ATOM 674 O ASN A 42 5.121 -5.607 -5.288 1.00 33.50 O ATOM 675 CB ASN A 42 7.757 -6.213 -6.922 1.00 21.00 C ATOM 676 CG ASN A 42 8.032 -7.687 -7.172 1.00 34.10 C ATOM 677 OD1 ASN A 42 7.122 -8.512 -7.178 1.00 21.53 O ATOM 678 ND2 ASN A 42 9.287 -8.031 -7.390 1.00 62.51 N ATOM 0 H ASN A 42 6.140 -3.814 -6.685 1.00 61.05 H new ATOM 0 HA ASN A 42 6.111 -6.278 -8.309 1.00 0.31 H new ATOM 0 HB2 ASN A 42 8.491 -5.613 -7.460 1.00 21.00 H new ATOM 0 HB3 ASN A 42 7.885 -5.997 -5.861 1.00 21.00 H new ATOM 0 HD21 ASN A 42 9.524 -9.006 -7.570 1.00 62.51 H new ATOM 0 HD22 ASN A 42 10.020 -7.321 -7.378 1.00 62.51 H new ATOM 685 N VAL A 43 4.657 -7.399 -6.575 1.00 41.13 N ATOM 686 CA VAL A 43 3.582 -7.894 -5.697 1.00 31.34 C ATOM 687 C VAL A 43 4.021 -9.108 -4.848 1.00 64.52 C ATOM 688 O VAL A 43 3.265 -9.589 -4.001 1.00 41.24 O ATOM 689 CB VAL A 43 2.318 -8.280 -6.518 1.00 60.12 C ATOM 690 CG1 VAL A 43 1.108 -8.478 -5.612 1.00 13.35 C ATOM 691 CG2 VAL A 43 2.022 -7.238 -7.596 1.00 41.54 C ATOM 0 H VAL A 43 4.849 -7.993 -7.382 1.00 41.13 H new ATOM 0 HA VAL A 43 3.345 -7.072 -5.021 1.00 31.34 H new ATOM 0 HB VAL A 43 2.526 -9.229 -7.012 1.00 60.12 H new ATOM 0 HG11 VAL A 43 0.241 -8.747 -6.216 1.00 13.35 H new ATOM 0 HG12 VAL A 43 1.314 -9.276 -4.898 1.00 13.35 H new ATOM 0 HG13 VAL A 43 0.902 -7.553 -5.073 1.00 13.35 H new ATOM 0 HG21 VAL A 43 1.134 -7.534 -8.154 1.00 41.54 H new ATOM 0 HG22 VAL A 43 1.850 -6.269 -7.128 1.00 41.54 H new ATOM 0 HG23 VAL A 43 2.871 -7.167 -8.276 1.00 41.54 H new ATOM 701 N VAL A 44 5.242 -9.606 -5.065 1.00 22.43 N ATOM 702 CA VAL A 44 5.729 -10.768 -4.309 1.00 21.04 C ATOM 703 C VAL A 44 5.838 -10.450 -2.804 1.00 63.22 C ATOM 704 O VAL A 44 6.739 -9.732 -2.357 1.00 54.55 O ATOM 705 CB VAL A 44 7.086 -11.296 -4.859 1.00 73.32 C ATOM 706 CG1 VAL A 44 8.183 -10.238 -4.783 1.00 12.04 C ATOM 707 CG2 VAL A 44 7.505 -12.567 -4.121 1.00 4.13 C ATOM 0 H VAL A 44 5.903 -9.232 -5.746 1.00 22.43 H new ATOM 0 HA VAL A 44 4.992 -11.561 -4.439 1.00 21.04 H new ATOM 0 HB VAL A 44 6.942 -11.535 -5.913 1.00 73.32 H new ATOM 0 HG11 VAL A 44 9.113 -10.649 -5.177 1.00 12.04 H new ATOM 0 HG12 VAL A 44 7.892 -9.369 -5.373 1.00 12.04 H new ATOM 0 HG13 VAL A 44 8.329 -9.940 -3.745 1.00 12.04 H new ATOM 0 HG21 VAL A 44 8.456 -12.922 -4.519 1.00 4.13 H new ATOM 0 HG22 VAL A 44 7.614 -12.351 -3.058 1.00 4.13 H new ATOM 0 HG23 VAL A 44 6.744 -13.335 -4.259 1.00 4.13 H new ATOM 717 N GLU A 45 4.887 -10.973 -2.033 1.00 43.21 N ATOM 718 CA GLU A 45 4.820 -10.721 -0.591 1.00 21.02 C ATOM 719 C GLU A 45 6.013 -11.343 0.155 1.00 60.01 C ATOM 720 O GLU A 45 6.612 -12.323 -0.300 1.00 73.34 O ATOM 721 CB GLU A 45 3.496 -11.261 -0.026 1.00 60.50 C ATOM 722 CG GLU A 45 3.296 -12.757 -0.245 1.00 63.22 C ATOM 723 CD GLU A 45 1.983 -13.270 0.326 1.00 2.11 C ATOM 724 OE1 GLU A 45 1.878 -13.385 1.565 1.00 51.21 O ATOM 725 OE2 GLU A 45 1.055 -13.573 -0.459 1.00 5.12 O ATOM 0 H GLU A 45 4.146 -11.579 -2.384 1.00 43.21 H new ATOM 0 HA GLU A 45 4.866 -9.643 -0.438 1.00 21.02 H new ATOM 0 HB2 GLU A 45 3.456 -11.052 1.043 1.00 60.50 H new ATOM 0 HB3 GLU A 45 2.669 -10.722 -0.488 1.00 60.50 H new ATOM 0 HG2 GLU A 45 3.329 -12.970 -1.313 1.00 63.22 H new ATOM 0 HG3 GLU A 45 4.122 -13.300 0.214 1.00 63.22 H new ATOM 732 N ASN A 46 6.337 -10.785 1.321 1.00 41.42 N ATOM 733 CA ASN A 46 7.509 -11.211 2.101 1.00 30.14 C ATOM 734 C ASN A 46 7.250 -12.512 2.890 1.00 2.33 C ATOM 735 O ASN A 46 7.692 -12.659 4.033 1.00 21.13 O ATOM 736 CB ASN A 46 7.941 -10.079 3.043 1.00 35.22 C ATOM 737 CG ASN A 46 6.849 -9.649 4.011 1.00 32.54 C ATOM 738 OD1 ASN A 46 5.659 -9.765 3.729 1.00 63.51 O ATOM 739 ND2 ASN A 46 7.247 -9.127 5.152 1.00 10.44 N ATOM 0 H ASN A 46 5.803 -10.031 1.753 1.00 41.42 H new ATOM 0 HA ASN A 46 8.315 -11.428 1.400 1.00 30.14 H new ATOM 0 HB2 ASN A 46 8.813 -10.402 3.611 1.00 35.22 H new ATOM 0 HB3 ASN A 46 8.249 -9.219 2.448 1.00 35.22 H new ATOM 0 HD21 ASN A 46 6.559 -8.805 5.833 1.00 10.44 H new ATOM 0 HD22 ASN A 46 8.243 -9.045 5.355 1.00 10.44 H new ATOM 746 N THR A 47 6.565 -13.468 2.260 1.00 23.14 N ATOM 747 CA THR A 47 6.276 -14.768 2.888 1.00 21.40 C ATOM 748 C THR A 47 7.556 -15.567 3.183 1.00 61.33 C ATOM 749 O THR A 47 7.793 -15.970 4.320 1.00 71.25 O ATOM 750 CB THR A 47 5.322 -15.636 2.017 1.00 41.35 C ATOM 751 OG1 THR A 47 5.269 -16.978 2.525 1.00 32.12 O ATOM 752 CG2 THR A 47 5.746 -15.662 0.548 1.00 12.02 C ATOM 0 H THR A 47 6.197 -13.371 1.314 1.00 23.14 H new ATOM 0 HA THR A 47 5.782 -14.537 3.832 1.00 21.40 H new ATOM 0 HB THR A 47 4.334 -15.180 2.072 1.00 41.35 H new ATOM 0 HG1 THR A 47 4.665 -17.514 1.970 1.00 32.12 H new ATOM 0 HG21 THR A 47 5.051 -16.280 -0.020 1.00 12.02 H new ATOM 0 HG22 THR A 47 5.739 -14.648 0.149 1.00 12.02 H new ATOM 0 HG23 THR A 47 6.751 -16.077 0.467 1.00 12.02 H new ATOM 760 N ALA A 48 8.377 -15.785 2.153 1.00 74.24 N ATOM 761 CA ALA A 48 9.640 -16.535 2.274 1.00 73.15 C ATOM 762 C ALA A 48 9.434 -18.031 2.595 1.00 15.43 C ATOM 763 O ALA A 48 10.408 -18.776 2.743 1.00 0.34 O ATOM 764 CB ALA A 48 10.554 -15.888 3.312 1.00 53.13 C ATOM 0 H ALA A 48 8.189 -15.448 1.209 1.00 74.24 H new ATOM 0 HA ALA A 48 10.116 -16.491 1.295 1.00 73.15 H new ATOM 0 HB1 ALA A 48 11.481 -16.457 3.386 1.00 53.13 H new ATOM 0 HB2 ALA A 48 10.779 -14.865 3.011 1.00 53.13 H new ATOM 0 HB3 ALA A 48 10.055 -15.880 4.281 1.00 53.13 H new ATOM 770 N ASN A 49 8.178 -18.476 2.692 1.00 32.12 N ATOM 771 CA ASN A 49 7.878 -19.895 2.935 1.00 3.23 C ATOM 772 C ASN A 49 6.669 -20.377 2.102 1.00 63.13 C ATOM 773 O ASN A 49 5.549 -20.490 2.604 1.00 44.25 O ATOM 774 CB ASN A 49 7.663 -20.162 4.439 1.00 21.11 C ATOM 775 CG ASN A 49 6.603 -19.267 5.072 1.00 15.14 C ATOM 776 OD1 ASN A 49 5.435 -19.627 5.168 1.00 53.54 O ATOM 777 ND2 ASN A 49 7.003 -18.096 5.518 1.00 35.44 N ATOM 0 H ASN A 49 7.355 -17.880 2.607 1.00 32.12 H new ATOM 0 HA ASN A 49 8.743 -20.473 2.609 1.00 3.23 H new ATOM 0 HB2 ASN A 49 7.376 -21.204 4.577 1.00 21.11 H new ATOM 0 HB3 ASN A 49 8.608 -20.019 4.964 1.00 21.11 H new ATOM 0 HD21 ASN A 49 6.335 -17.462 5.957 1.00 35.44 H new ATOM 0 HD22 ASN A 49 7.981 -17.822 5.425 1.00 35.44 H new ATOM 784 N PRO A 50 6.877 -20.641 0.794 1.00 64.02 N ATOM 785 CA PRO A 50 5.831 -21.202 -0.076 1.00 74.12 C ATOM 786 C PRO A 50 5.461 -22.642 0.328 1.00 24.23 C ATOM 787 O PRO A 50 6.234 -23.575 0.123 1.00 64.45 O ATOM 788 CB PRO A 50 6.464 -21.167 -1.483 1.00 62.24 C ATOM 789 CG PRO A 50 7.642 -20.254 -1.358 1.00 62.54 C ATOM 790 CD PRO A 50 8.126 -20.404 0.056 1.00 31.01 C ATOM 0 HA PRO A 50 4.899 -20.640 -0.014 1.00 74.12 H new ATOM 0 HB2 PRO A 50 6.770 -22.163 -1.803 1.00 62.24 H new ATOM 0 HB3 PRO A 50 5.756 -20.798 -2.225 1.00 62.24 H new ATOM 0 HG2 PRO A 50 8.423 -20.523 -2.069 1.00 62.54 H new ATOM 0 HG3 PRO A 50 7.361 -19.222 -1.568 1.00 62.54 H new ATOM 0 HD2 PRO A 50 8.824 -21.235 0.161 1.00 31.01 H new ATOM 0 HD3 PRO A 50 8.641 -19.509 0.406 1.00 31.01 H new ATOM 798 N HIS A 51 4.273 -22.811 0.906 1.00 51.21 N ATOM 799 CA HIS A 51 3.849 -24.110 1.444 1.00 40.45 C ATOM 800 C HIS A 51 3.511 -25.105 0.320 1.00 0.35 C ATOM 801 O HIS A 51 3.831 -26.289 0.410 1.00 13.02 O ATOM 802 CB HIS A 51 2.645 -23.918 2.374 1.00 5.43 C ATOM 803 CG HIS A 51 2.923 -22.988 3.521 1.00 5.20 C ATOM 804 ND1 HIS A 51 3.206 -23.421 4.800 1.00 43.15 N ATOM 805 CD2 HIS A 51 2.979 -21.633 3.572 1.00 32.42 C ATOM 806 CE1 HIS A 51 3.422 -22.380 5.579 1.00 23.12 C ATOM 807 NE2 HIS A 51 3.291 -21.285 4.861 1.00 20.42 N ATOM 0 H HIS A 51 3.584 -22.067 1.016 1.00 51.21 H new ATOM 0 HA HIS A 51 4.679 -24.531 2.012 1.00 40.45 H new ATOM 0 HB2 HIS A 51 1.806 -23.530 1.796 1.00 5.43 H new ATOM 0 HB3 HIS A 51 2.340 -24.888 2.767 1.00 5.43 H new ATOM 0 HD2 HIS A 51 2.809 -20.954 2.749 1.00 32.42 H new ATOM 0 HE1 HIS A 51 3.666 -22.419 6.630 1.00 23.12 H new ATOM 0 HE2 HIS A 51 3.403 -20.332 5.207 1.00 20.42 H new ATOM 816 N PHE A 52 2.855 -24.619 -0.733 1.00 75.20 N ATOM 817 CA PHE A 52 2.537 -25.456 -1.899 1.00 72.03 C ATOM 818 C PHE A 52 2.723 -24.695 -3.222 1.00 55.42 C ATOM 819 O PHE A 52 2.844 -25.303 -4.285 1.00 31.32 O ATOM 820 CB PHE A 52 1.110 -26.022 -1.793 1.00 0.34 C ATOM 821 CG PHE A 52 0.023 -24.977 -1.667 1.00 72.35 C ATOM 822 CD1 PHE A 52 -0.268 -24.403 -0.437 1.00 2.30 C ATOM 823 CD2 PHE A 52 -0.714 -24.581 -2.775 1.00 21.10 C ATOM 824 CE1 PHE A 52 -1.267 -23.456 -0.318 1.00 21.00 C ATOM 825 CE2 PHE A 52 -1.714 -23.635 -2.659 1.00 43.21 C ATOM 826 CZ PHE A 52 -1.991 -23.072 -1.428 1.00 4.04 C ATOM 0 H PHE A 52 2.533 -23.654 -0.807 1.00 75.20 H new ATOM 0 HA PHE A 52 3.242 -26.288 -1.901 1.00 72.03 H new ATOM 0 HB2 PHE A 52 0.909 -26.631 -2.674 1.00 0.34 H new ATOM 0 HB3 PHE A 52 1.060 -26.685 -0.929 1.00 0.34 H new ATOM 0 HD1 PHE A 52 0.293 -24.700 0.437 1.00 2.30 H new ATOM 0 HD2 PHE A 52 -0.503 -25.018 -3.740 1.00 21.10 H new ATOM 0 HE1 PHE A 52 -1.481 -23.016 0.645 1.00 21.00 H new ATOM 0 HE2 PHE A 52 -2.279 -23.336 -3.530 1.00 43.21 H new ATOM 0 HZ PHE A 52 -2.773 -22.333 -1.335 1.00 4.04 H new ATOM 836 N VAL A 53 2.757 -23.365 -3.155 1.00 12.01 N ATOM 837 CA VAL A 53 2.960 -22.530 -4.349 1.00 54.31 C ATOM 838 C VAL A 53 3.535 -21.152 -3.971 1.00 15.32 C ATOM 839 O VAL A 53 3.354 -20.686 -2.841 1.00 52.03 O ATOM 840 CB VAL A 53 1.631 -22.346 -5.133 1.00 13.14 C ATOM 841 CG1 VAL A 53 0.648 -21.458 -4.362 1.00 51.32 C ATOM 842 CG2 VAL A 53 1.891 -21.791 -6.532 1.00 52.34 C ATOM 0 H VAL A 53 2.647 -22.838 -2.289 1.00 12.01 H new ATOM 0 HA VAL A 53 3.677 -23.045 -4.988 1.00 54.31 H new ATOM 0 HB VAL A 53 1.173 -23.329 -5.242 1.00 13.14 H new ATOM 0 HG11 VAL A 53 -0.272 -21.349 -4.937 1.00 51.32 H new ATOM 0 HG12 VAL A 53 0.422 -21.916 -3.399 1.00 51.32 H new ATOM 0 HG13 VAL A 53 1.094 -20.477 -4.201 1.00 51.32 H new ATOM 0 HG21 VAL A 53 0.944 -21.672 -7.058 1.00 52.34 H new ATOM 0 HG22 VAL A 53 2.386 -20.823 -6.453 1.00 52.34 H new ATOM 0 HG23 VAL A 53 2.529 -22.481 -7.084 1.00 52.34 H new ATOM 852 N ARG A 54 4.237 -20.508 -4.907 1.00 51.04 N ATOM 853 CA ARG A 54 4.813 -19.178 -4.656 1.00 24.13 C ATOM 854 C ARG A 54 3.709 -18.117 -4.491 1.00 51.44 C ATOM 855 O ARG A 54 2.755 -18.067 -5.269 1.00 53.30 O ATOM 856 CB ARG A 54 5.809 -18.765 -5.761 1.00 44.31 C ATOM 857 CG ARG A 54 5.198 -18.436 -7.133 1.00 5.32 C ATOM 858 CD ARG A 54 4.643 -19.666 -7.858 1.00 52.21 C ATOM 859 NE ARG A 54 4.962 -19.647 -9.289 1.00 33.52 N ATOM 860 CZ ARG A 54 4.120 -19.909 -10.255 1.00 74.14 C ATOM 861 NH1 ARG A 54 2.869 -20.134 -10.012 1.00 23.13 N ATOM 862 NH2 ARG A 54 4.535 -19.918 -11.480 1.00 42.31 N ATOM 0 H ARG A 54 4.421 -20.879 -5.839 1.00 51.04 H new ATOM 0 HA ARG A 54 5.369 -19.241 -3.721 1.00 24.13 H new ATOM 0 HB2 ARG A 54 6.364 -17.893 -5.414 1.00 44.31 H new ATOM 0 HB3 ARG A 54 6.531 -19.571 -5.891 1.00 44.31 H new ATOM 0 HG2 ARG A 54 4.397 -17.708 -7.002 1.00 5.32 H new ATOM 0 HG3 ARG A 54 5.957 -17.966 -7.758 1.00 5.32 H new ATOM 0 HD2 ARG A 54 5.053 -20.569 -7.407 1.00 52.21 H new ATOM 0 HD3 ARG A 54 3.562 -19.707 -7.728 1.00 52.21 H new ATOM 0 HE ARG A 54 5.918 -19.410 -9.553 1.00 33.52 H new ATOM 0 HH11 ARG A 54 2.523 -20.109 -9.053 1.00 23.13 H new ATOM 0 HH12 ARG A 54 2.229 -20.336 -10.780 1.00 23.13 H new ATOM 0 HH21 ARG A 54 5.514 -19.722 -11.688 1.00 42.31 H new ATOM 0 HH22 ARG A 54 3.883 -20.122 -12.238 1.00 42.31 H new ATOM 876 N ARG A 55 3.849 -17.264 -3.475 1.00 34.34 N ATOM 877 CA ARG A 55 2.799 -16.301 -3.120 1.00 20.32 C ATOM 878 C ARG A 55 3.114 -14.863 -3.566 1.00 42.11 C ATOM 879 O ARG A 55 4.187 -14.324 -3.294 1.00 73.31 O ATOM 880 CB ARG A 55 2.543 -16.324 -1.607 1.00 74.33 C ATOM 881 CG ARG A 55 1.809 -17.570 -1.117 1.00 74.24 C ATOM 882 CD ARG A 55 1.453 -17.461 0.360 1.00 1.42 C ATOM 883 NE ARG A 55 0.740 -16.218 0.656 1.00 10.03 N ATOM 884 CZ ARG A 55 -0.033 -16.031 1.690 1.00 5.30 C ATOM 885 NH1 ARG A 55 -0.251 -16.978 2.544 1.00 1.54 N ATOM 886 NH2 ARG A 55 -0.571 -14.874 1.878 1.00 24.23 N ATOM 0 H ARG A 55 4.678 -17.218 -2.882 1.00 34.34 H new ATOM 0 HA ARG A 55 1.905 -16.614 -3.659 1.00 20.32 H new ATOM 0 HB2 ARG A 55 3.498 -16.250 -1.087 1.00 74.33 H new ATOM 0 HB3 ARG A 55 1.962 -15.443 -1.334 1.00 74.33 H new ATOM 0 HG2 ARG A 55 0.900 -17.713 -1.702 1.00 74.24 H new ATOM 0 HG3 ARG A 55 2.433 -18.449 -1.278 1.00 74.24 H new ATOM 0 HD2 ARG A 55 0.836 -18.312 0.649 1.00 1.42 H new ATOM 0 HD3 ARG A 55 2.363 -17.509 0.958 1.00 1.42 H new ATOM 0 HE ARG A 55 0.856 -15.441 0.006 1.00 10.03 H new ATOM 0 HH11 ARG A 55 0.185 -17.891 2.415 1.00 1.54 H new ATOM 0 HH12 ARG A 55 -0.859 -16.811 3.346 1.00 1.54 H new ATOM 0 HH21 ARG A 55 -0.391 -14.115 1.221 1.00 24.23 H new ATOM 0 HH22 ARG A 55 -1.177 -14.718 2.684 1.00 24.23 H new ATOM 900 N ASN A 56 2.152 -14.270 -4.264 1.00 22.10 N ATOM 901 CA ASN A 56 2.168 -12.848 -4.634 1.00 23.43 C ATOM 902 C ASN A 56 0.725 -12.322 -4.622 1.00 14.33 C ATOM 903 O ASN A 56 0.320 -11.516 -5.461 1.00 3.31 O ATOM 904 CB ASN A 56 2.815 -12.664 -6.016 1.00 31.52 C ATOM 905 CG ASN A 56 2.076 -13.397 -7.123 1.00 23.42 C ATOM 906 OD1 ASN A 56 1.402 -14.397 -6.888 1.00 55.01 O ATOM 907 ND2 ASN A 56 2.217 -12.923 -8.344 1.00 1.34 N ATOM 0 H ASN A 56 1.325 -14.765 -4.596 1.00 22.10 H new ATOM 0 HA ASN A 56 2.762 -12.281 -3.917 1.00 23.43 H new ATOM 0 HB2 ASN A 56 2.852 -11.601 -6.254 1.00 31.52 H new ATOM 0 HB3 ASN A 56 3.845 -13.019 -5.978 1.00 31.52 H new ATOM 0 HD21 ASN A 56 1.760 -13.389 -9.128 1.00 1.34 H new ATOM 0 HD22 ASN A 56 2.784 -12.090 -8.506 1.00 1.34 H new ATOM 914 N ILE A 57 -0.042 -12.790 -3.637 1.00 33.11 N ATOM 915 CA ILE A 57 -1.482 -12.538 -3.574 1.00 74.33 C ATOM 916 C ILE A 57 -1.807 -11.264 -2.784 1.00 43.54 C ATOM 917 O ILE A 57 -1.508 -11.159 -1.592 1.00 64.03 O ATOM 918 CB ILE A 57 -2.223 -13.733 -2.921 1.00 75.44 C ATOM 919 CG1 ILE A 57 -1.896 -15.043 -3.666 1.00 31.44 C ATOM 920 CG2 ILE A 57 -3.735 -13.487 -2.891 1.00 43.34 C ATOM 921 CD1 ILE A 57 -2.515 -16.278 -3.040 1.00 23.04 C ATOM 0 H ILE A 57 0.315 -13.352 -2.864 1.00 33.11 H new ATOM 0 HA ILE A 57 -1.821 -12.409 -4.602 1.00 74.33 H new ATOM 0 HB ILE A 57 -1.878 -13.828 -1.892 1.00 75.44 H new ATOM 0 HG12 ILE A 57 -2.240 -14.959 -4.697 1.00 31.44 H new ATOM 0 HG13 ILE A 57 -0.814 -15.169 -3.701 1.00 31.44 H new ATOM 0 HG21 ILE A 57 -4.233 -14.339 -2.428 1.00 43.34 H new ATOM 0 HG22 ILE A 57 -3.946 -12.586 -2.314 1.00 43.34 H new ATOM 0 HG23 ILE A 57 -4.103 -13.360 -3.909 1.00 43.34 H new ATOM 0 HD11 ILE A 57 -2.239 -17.158 -3.621 1.00 23.04 H new ATOM 0 HD12 ILE A 57 -2.151 -16.389 -2.018 1.00 23.04 H new ATOM 0 HD13 ILE A 57 -3.600 -16.176 -3.030 1.00 23.04 H new ATOM 933 N ILE A 58 -2.431 -10.300 -3.454 1.00 13.33 N ATOM 934 CA ILE A 58 -2.860 -9.067 -2.800 1.00 13.11 C ATOM 935 C ILE A 58 -4.024 -9.341 -1.827 1.00 21.13 C ATOM 936 O ILE A 58 -5.198 -9.297 -2.202 1.00 44.43 O ATOM 937 CB ILE A 58 -3.278 -7.992 -3.838 1.00 55.11 C ATOM 938 CG1 ILE A 58 -2.141 -7.749 -4.850 1.00 25.32 C ATOM 939 CG2 ILE A 58 -3.660 -6.688 -3.136 1.00 2.35 C ATOM 940 CD1 ILE A 58 -2.496 -6.780 -5.961 1.00 62.22 C ATOM 0 H ILE A 58 -2.651 -10.348 -4.449 1.00 13.33 H new ATOM 0 HA ILE A 58 -2.010 -8.684 -2.235 1.00 13.11 H new ATOM 0 HB ILE A 58 -4.150 -8.357 -4.381 1.00 55.11 H new ATOM 0 HG12 ILE A 58 -1.270 -7.369 -4.317 1.00 25.32 H new ATOM 0 HG13 ILE A 58 -1.853 -8.703 -5.293 1.00 25.32 H new ATOM 0 HG21 ILE A 58 -3.950 -5.946 -3.880 1.00 2.35 H new ATOM 0 HG22 ILE A 58 -4.495 -6.870 -2.460 1.00 2.35 H new ATOM 0 HG23 ILE A 58 -2.807 -6.317 -2.567 1.00 2.35 H new ATOM 0 HD11 ILE A 58 -1.643 -6.664 -6.629 1.00 62.22 H new ATOM 0 HD12 ILE A 58 -3.347 -7.166 -6.522 1.00 62.22 H new ATOM 0 HD13 ILE A 58 -2.754 -5.812 -5.531 1.00 62.22 H new ATOM 952 N THR A 59 -3.684 -9.667 -0.584 1.00 60.23 N ATOM 953 CA THR A 59 -4.685 -9.963 0.453 1.00 62.13 C ATOM 954 C THR A 59 -4.355 -9.245 1.769 1.00 71.41 C ATOM 955 O THR A 59 -3.290 -8.642 1.905 1.00 3.33 O ATOM 956 CB THR A 59 -4.798 -11.487 0.721 1.00 14.24 C ATOM 957 OG1 THR A 59 -5.810 -11.748 1.708 1.00 41.51 O ATOM 958 CG2 THR A 59 -3.464 -12.071 1.189 1.00 14.42 C ATOM 0 H THR A 59 -2.718 -9.735 -0.262 1.00 60.23 H new ATOM 0 HA THR A 59 -5.640 -9.599 0.075 1.00 62.13 H new ATOM 0 HB THR A 59 -5.074 -11.967 -0.218 1.00 14.24 H new ATOM 0 HG1 THR A 59 -6.644 -11.304 1.447 1.00 41.51 H new ATOM 0 HG21 THR A 59 -3.578 -13.140 1.368 1.00 14.42 H new ATOM 0 HG22 THR A 59 -2.707 -11.910 0.421 1.00 14.42 H new ATOM 0 HG23 THR A 59 -3.155 -11.580 2.112 1.00 14.42 H new ATOM 966 N ARG A 60 -5.263 -9.320 2.740 1.00 51.33 N ATOM 967 CA ARG A 60 -5.092 -8.603 4.011 1.00 62.20 C ATOM 968 C ARG A 60 -3.793 -9.030 4.724 1.00 62.31 C ATOM 969 O ARG A 60 -3.642 -10.185 5.132 1.00 2.40 O ATOM 970 CB ARG A 60 -6.302 -8.852 4.929 1.00 43.41 C ATOM 971 CG ARG A 60 -6.346 -7.952 6.165 1.00 51.01 C ATOM 972 CD ARG A 60 -7.491 -8.333 7.104 1.00 4.42 C ATOM 973 NE ARG A 60 -7.667 -7.353 8.174 1.00 40.32 N ATOM 974 CZ ARG A 60 -7.574 -7.617 9.449 1.00 33.12 C ATOM 975 NH1 ARG A 60 -7.269 -8.807 9.860 1.00 24.14 N ATOM 976 NH2 ARG A 60 -7.781 -6.681 10.316 1.00 43.34 N ATOM 0 H ARG A 60 -6.122 -9.866 2.676 1.00 51.33 H new ATOM 0 HA ARG A 60 -5.023 -7.538 3.788 1.00 62.20 H new ATOM 0 HB2 ARG A 60 -7.216 -8.706 4.354 1.00 43.41 H new ATOM 0 HB3 ARG A 60 -6.291 -9.893 5.251 1.00 43.41 H new ATOM 0 HG2 ARG A 60 -5.399 -8.022 6.700 1.00 51.01 H new ATOM 0 HG3 ARG A 60 -6.461 -6.913 5.855 1.00 51.01 H new ATOM 0 HD2 ARG A 60 -8.416 -8.417 6.533 1.00 4.42 H new ATOM 0 HD3 ARG A 60 -7.294 -9.313 7.538 1.00 4.42 H new ATOM 0 HE ARG A 60 -7.878 -6.392 7.905 1.00 40.32 H new ATOM 0 HH11 ARG A 60 -7.098 -9.552 9.184 1.00 24.14 H new ATOM 0 HH12 ARG A 60 -7.200 -8.999 10.859 1.00 24.14 H new ATOM 0 HH21 ARG A 60 -8.016 -5.739 10.003 1.00 43.34 H new ATOM 0 HH22 ARG A 60 -7.709 -6.884 11.313 1.00 43.34 H new ATOM 990 N GLY A 61 -2.864 -8.089 4.879 1.00 41.51 N ATOM 991 CA GLY A 61 -1.587 -8.384 5.527 1.00 23.22 C ATOM 992 C GLY A 61 -0.418 -8.511 4.550 1.00 63.44 C ATOM 993 O GLY A 61 0.741 -8.514 4.966 1.00 1.24 O ATOM 0 H GLY A 61 -2.969 -7.123 4.568 1.00 41.51 H new ATOM 0 HA2 GLY A 61 -1.364 -7.596 6.246 1.00 23.22 H new ATOM 0 HA3 GLY A 61 -1.681 -9.313 6.090 1.00 23.22 H new ATOM 997 N ALA A 62 -0.718 -8.614 3.256 1.00 40.33 N ATOM 998 CA ALA A 62 0.320 -8.742 2.225 1.00 73.44 C ATOM 999 C ALA A 62 1.078 -7.421 2.015 1.00 4.34 C ATOM 1000 O ALA A 62 0.481 -6.344 2.012 1.00 2.44 O ATOM 1001 CB ALA A 62 -0.296 -9.211 0.911 1.00 53.42 C ATOM 0 H ALA A 62 -1.671 -8.612 2.893 1.00 40.33 H new ATOM 0 HA ALA A 62 1.039 -9.485 2.570 1.00 73.44 H new ATOM 0 HB1 ALA A 62 0.484 -9.302 0.155 1.00 53.42 H new ATOM 0 HB2 ALA A 62 -0.773 -10.180 1.058 1.00 53.42 H new ATOM 0 HB3 ALA A 62 -1.040 -8.487 0.579 1.00 53.42 H new ATOM 1007 N VAL A 63 2.397 -7.516 1.844 1.00 71.51 N ATOM 1008 CA VAL A 63 3.252 -6.334 1.656 1.00 13.32 C ATOM 1009 C VAL A 63 3.813 -6.259 0.224 1.00 0.13 C ATOM 1010 O VAL A 63 4.532 -7.156 -0.216 1.00 44.30 O ATOM 1011 CB VAL A 63 4.434 -6.338 2.661 1.00 72.33 C ATOM 1012 CG1 VAL A 63 5.296 -5.086 2.500 1.00 71.23 C ATOM 1013 CG2 VAL A 63 3.924 -6.465 4.098 1.00 60.35 C ATOM 0 H VAL A 63 2.902 -8.402 1.831 1.00 71.51 H new ATOM 0 HA VAL A 63 2.624 -5.461 1.834 1.00 13.32 H new ATOM 0 HB VAL A 63 5.058 -7.205 2.443 1.00 72.33 H new ATOM 0 HG11 VAL A 63 6.117 -5.115 3.217 1.00 71.23 H new ATOM 0 HG12 VAL A 63 5.699 -5.049 1.488 1.00 71.23 H new ATOM 0 HG13 VAL A 63 4.688 -4.200 2.681 1.00 71.23 H new ATOM 0 HG21 VAL A 63 4.770 -6.466 4.786 1.00 60.35 H new ATOM 0 HG22 VAL A 63 3.270 -5.624 4.328 1.00 60.35 H new ATOM 0 HG23 VAL A 63 3.368 -7.396 4.206 1.00 60.35 H new ATOM 1023 N VAL A 64 3.487 -5.183 -0.493 1.00 63.14 N ATOM 1024 CA VAL A 64 3.972 -4.985 -1.868 1.00 2.12 C ATOM 1025 C VAL A 64 4.909 -3.765 -1.976 1.00 72.31 C ATOM 1026 O VAL A 64 4.888 -2.876 -1.122 1.00 54.53 O ATOM 1027 CB VAL A 64 2.790 -4.802 -2.856 1.00 53.43 C ATOM 1028 CG1 VAL A 64 1.872 -6.027 -2.843 1.00 42.41 C ATOM 1029 CG2 VAL A 64 2.003 -3.530 -2.532 1.00 61.55 C ATOM 0 H VAL A 64 2.889 -4.432 -0.148 1.00 63.14 H new ATOM 0 HA VAL A 64 4.532 -5.882 -2.132 1.00 2.12 H new ATOM 0 HB VAL A 64 3.202 -4.700 -3.860 1.00 53.43 H new ATOM 0 HG11 VAL A 64 1.051 -5.874 -3.544 1.00 42.41 H new ATOM 0 HG12 VAL A 64 2.440 -6.910 -3.136 1.00 42.41 H new ATOM 0 HG13 VAL A 64 1.471 -6.170 -1.840 1.00 42.41 H new ATOM 0 HG21 VAL A 64 1.179 -3.422 -3.238 1.00 61.55 H new ATOM 0 HG22 VAL A 64 1.607 -3.595 -1.519 1.00 61.55 H new ATOM 0 HG23 VAL A 64 2.662 -2.665 -2.609 1.00 61.55 H new ATOM 1039 N GLU A 65 5.729 -3.733 -3.028 1.00 34.40 N ATOM 1040 CA GLU A 65 6.627 -2.595 -3.284 1.00 71.14 C ATOM 1041 C GLU A 65 6.015 -1.639 -4.320 1.00 13.55 C ATOM 1042 O GLU A 65 5.627 -2.057 -5.414 1.00 62.01 O ATOM 1043 CB GLU A 65 8.003 -3.080 -3.779 1.00 25.52 C ATOM 1044 CG GLU A 65 9.003 -1.950 -4.073 1.00 65.24 C ATOM 1045 CD GLU A 65 9.578 -1.282 -2.819 1.00 24.23 C ATOM 1046 OE1 GLU A 65 8.800 -0.832 -1.953 1.00 42.15 O ATOM 1047 OE2 GLU A 65 10.821 -1.201 -2.699 1.00 1.43 O ATOM 0 H GLU A 65 5.793 -4.480 -3.719 1.00 34.40 H new ATOM 0 HA GLU A 65 6.759 -2.061 -2.343 1.00 71.14 H new ATOM 0 HB2 GLU A 65 8.433 -3.744 -3.029 1.00 25.52 H new ATOM 0 HB3 GLU A 65 7.863 -3.670 -4.684 1.00 25.52 H new ATOM 0 HG2 GLU A 65 9.824 -2.351 -4.667 1.00 65.24 H new ATOM 0 HG3 GLU A 65 8.510 -1.192 -4.682 1.00 65.24 H new ATOM 1054 N THR A 66 5.931 -0.361 -3.970 1.00 34.40 N ATOM 1055 CA THR A 66 5.361 0.666 -4.860 1.00 13.33 C ATOM 1056 C THR A 66 6.345 1.825 -5.066 1.00 2.15 C ATOM 1057 O THR A 66 7.431 1.835 -4.489 1.00 0.21 O ATOM 1058 CB THR A 66 4.042 1.248 -4.293 1.00 14.14 C ATOM 1059 OG1 THR A 66 4.310 2.025 -3.114 1.00 20.45 O ATOM 1060 CG2 THR A 66 3.047 0.141 -3.965 1.00 42.50 C ATOM 0 H THR A 66 6.251 -0.001 -3.071 1.00 34.40 H new ATOM 0 HA THR A 66 5.160 0.172 -5.811 1.00 13.33 H new ATOM 0 HB THR A 66 3.602 1.889 -5.057 1.00 14.14 H new ATOM 0 HG1 THR A 66 4.998 1.579 -2.577 1.00 20.45 H new ATOM 0 HG21 THR A 66 2.131 0.580 -3.569 1.00 42.50 H new ATOM 0 HG22 THR A 66 2.818 -0.422 -4.870 1.00 42.50 H new ATOM 0 HG23 THR A 66 3.479 -0.528 -3.221 1.00 42.50 H new ATOM 1068 N ASN A 67 5.955 2.812 -5.875 1.00 23.53 N ATOM 1069 CA ASN A 67 6.808 3.986 -6.118 1.00 72.33 C ATOM 1070 C ASN A 67 6.957 4.856 -4.854 1.00 22.11 C ATOM 1071 O ASN A 67 7.842 5.709 -4.778 1.00 65.23 O ATOM 1072 CB ASN A 67 6.262 4.829 -7.280 1.00 33.21 C ATOM 1073 CG ASN A 67 4.827 5.263 -7.071 1.00 51.43 C ATOM 1074 OD1 ASN A 67 4.032 4.553 -6.474 1.00 2.55 O ATOM 1075 ND2 ASN A 67 4.488 6.440 -7.551 1.00 62.33 N ATOM 0 H ASN A 67 5.064 2.826 -6.371 1.00 23.53 H new ATOM 0 HA ASN A 67 7.797 3.614 -6.387 1.00 72.33 H new ATOM 0 HB2 ASN A 67 6.888 5.712 -7.407 1.00 33.21 H new ATOM 0 HB3 ASN A 67 6.331 4.254 -8.203 1.00 33.21 H new ATOM 0 HD21 ASN A 67 3.536 6.785 -7.430 1.00 62.33 H new ATOM 0 HD22 ASN A 67 5.177 7.007 -8.045 1.00 62.33 H new ATOM 1082 N LEU A 68 6.079 4.645 -3.871 1.00 42.32 N ATOM 1083 CA LEU A 68 6.175 5.343 -2.580 1.00 61.15 C ATOM 1084 C LEU A 68 6.915 4.487 -1.539 1.00 11.10 C ATOM 1085 O LEU A 68 7.458 5.006 -0.560 1.00 21.22 O ATOM 1086 CB LEU A 68 4.773 5.685 -2.051 1.00 11.41 C ATOM 1087 CG LEU A 68 3.913 6.572 -2.967 1.00 61.34 C ATOM 1088 CD1 LEU A 68 2.558 6.850 -2.322 1.00 61.24 C ATOM 1089 CD2 LEU A 68 4.633 7.878 -3.299 1.00 23.12 C ATOM 0 H LEU A 68 5.293 3.998 -3.941 1.00 42.32 H new ATOM 0 HA LEU A 68 6.739 6.262 -2.743 1.00 61.15 H new ATOM 0 HB2 LEU A 68 4.236 4.754 -1.869 1.00 11.41 H new ATOM 0 HB3 LEU A 68 4.880 6.185 -1.088 1.00 11.41 H new ATOM 0 HG LEU A 68 3.747 6.035 -3.901 1.00 61.34 H new ATOM 0 HD11 LEU A 68 1.962 7.479 -2.984 1.00 61.24 H new ATOM 0 HD12 LEU A 68 2.037 5.908 -2.150 1.00 61.24 H new ATOM 0 HD13 LEU A 68 2.706 7.362 -1.371 1.00 61.24 H new ATOM 0 HD21 LEU A 68 4.003 8.486 -3.948 1.00 23.12 H new ATOM 0 HD22 LEU A 68 4.839 8.424 -2.378 1.00 23.12 H new ATOM 0 HD23 LEU A 68 5.571 7.657 -3.808 1.00 23.12 H new ATOM 1101 N GLY A 69 6.935 3.175 -1.759 1.00 72.22 N ATOM 1102 CA GLY A 69 7.528 2.250 -0.798 1.00 4.32 C ATOM 1103 C GLY A 69 6.650 1.026 -0.564 1.00 25.02 C ATOM 1104 O GLY A 69 5.844 0.664 -1.420 1.00 31.31 O ATOM 0 H GLY A 69 6.549 2.730 -2.591 1.00 72.22 H new ATOM 0 HA2 GLY A 69 8.506 1.931 -1.159 1.00 4.32 H new ATOM 0 HA3 GLY A 69 7.690 2.766 0.148 1.00 4.32 H new ATOM 1108 N ASN A 70 6.780 0.392 0.596 1.00 32.43 N ATOM 1109 CA ASN A 70 5.990 -0.807 0.898 1.00 4.34 C ATOM 1110 C ASN A 70 4.580 -0.451 1.372 1.00 44.21 C ATOM 1111 O ASN A 70 4.393 0.420 2.220 1.00 60.10 O ATOM 1112 CB ASN A 70 6.688 -1.670 1.952 1.00 42.11 C ATOM 1113 CG ASN A 70 7.954 -2.309 1.432 1.00 60.44 C ATOM 1114 OD1 ASN A 70 8.902 -2.513 2.175 1.00 63.00 O ATOM 1115 ND2 ASN A 70 7.988 -2.627 0.153 1.00 65.23 N ATOM 0 H ASN A 70 7.417 0.680 1.339 1.00 32.43 H new ATOM 0 HA ASN A 70 5.905 -1.375 -0.028 1.00 4.34 H new ATOM 0 HB2 ASN A 70 6.925 -1.056 2.820 1.00 42.11 H new ATOM 0 HB3 ASN A 70 6.004 -2.449 2.290 1.00 42.11 H new ATOM 0 HD21 ASN A 70 8.824 -3.057 -0.244 1.00 65.23 H new ATOM 0 HD22 ASN A 70 7.179 -2.443 -0.440 1.00 65.23 H new ATOM 1122 N VAL A 71 3.591 -1.133 0.812 1.00 61.25 N ATOM 1123 CA VAL A 71 2.199 -0.945 1.210 1.00 1.45 C ATOM 1124 C VAL A 71 1.595 -2.266 1.699 1.00 53.11 C ATOM 1125 O VAL A 71 1.551 -3.248 0.956 1.00 32.41 O ATOM 1126 CB VAL A 71 1.344 -0.389 0.044 1.00 10.42 C ATOM 1127 CG1 VAL A 71 -0.064 -0.033 0.522 1.00 34.41 C ATOM 1128 CG2 VAL A 71 2.028 0.817 -0.594 1.00 14.13 C ATOM 0 H VAL A 71 3.726 -1.826 0.076 1.00 61.25 H new ATOM 0 HA VAL A 71 2.190 -0.218 2.022 1.00 1.45 H new ATOM 0 HB VAL A 71 1.251 -1.167 -0.714 1.00 10.42 H new ATOM 0 HG11 VAL A 71 -0.645 0.355 -0.315 1.00 34.41 H new ATOM 0 HG12 VAL A 71 -0.550 -0.924 0.919 1.00 34.41 H new ATOM 0 HG13 VAL A 71 -0.002 0.725 1.303 1.00 34.41 H new ATOM 0 HG21 VAL A 71 1.413 1.194 -1.411 1.00 14.13 H new ATOM 0 HG22 VAL A 71 2.158 1.599 0.154 1.00 14.13 H new ATOM 0 HG23 VAL A 71 3.003 0.520 -0.981 1.00 14.13 H new ATOM 1138 N ARG A 72 1.154 -2.295 2.956 1.00 42.32 N ATOM 1139 CA ARG A 72 0.515 -3.490 3.516 1.00 23.31 C ATOM 1140 C ARG A 72 -1.001 -3.431 3.308 1.00 33.14 C ATOM 1141 O ARG A 72 -1.674 -2.546 3.838 1.00 32.23 O ATOM 1142 CB ARG A 72 0.833 -3.636 5.010 1.00 64.14 C ATOM 1143 CG ARG A 72 0.441 -4.996 5.590 1.00 20.34 C ATOM 1144 CD ARG A 72 0.773 -5.102 7.075 1.00 63.14 C ATOM 1145 NE ARG A 72 0.646 -6.473 7.573 1.00 21.42 N ATOM 1146 CZ ARG A 72 -0.178 -6.851 8.515 1.00 51.25 C ATOM 1147 NH1 ARG A 72 -1.026 -6.020 9.034 1.00 0.15 N ATOM 1148 NH2 ARG A 72 -0.151 -8.078 8.922 1.00 74.33 N ATOM 0 H ARG A 72 1.226 -1.511 3.604 1.00 42.32 H new ATOM 0 HA ARG A 72 0.913 -4.360 2.993 1.00 23.31 H new ATOM 0 HB2 ARG A 72 1.901 -3.480 5.162 1.00 64.14 H new ATOM 0 HB3 ARG A 72 0.314 -2.852 5.562 1.00 64.14 H new ATOM 0 HG2 ARG A 72 -0.627 -5.157 5.445 1.00 20.34 H new ATOM 0 HG3 ARG A 72 0.959 -5.785 5.046 1.00 20.34 H new ATOM 0 HD2 ARG A 72 1.790 -4.748 7.244 1.00 63.14 H new ATOM 0 HD3 ARG A 72 0.110 -4.448 7.642 1.00 63.14 H new ATOM 0 HE ARG A 72 1.244 -7.185 7.154 1.00 21.42 H new ATOM 0 HH11 ARG A 72 -1.058 -5.054 8.708 1.00 0.15 H new ATOM 0 HH12 ARG A 72 -1.662 -6.332 9.768 1.00 0.15 H new ATOM 0 HH21 ARG A 72 0.508 -8.738 8.509 1.00 74.33 H new ATOM 0 HH22 ARG A 72 -0.789 -8.386 9.656 1.00 74.33 H new ATOM 1162 N VAL A 73 -1.526 -4.373 2.537 1.00 14.12 N ATOM 1163 CA VAL A 73 -2.950 -4.389 2.181 1.00 63.23 C ATOM 1164 C VAL A 73 -3.856 -4.510 3.419 1.00 54.45 C ATOM 1165 O VAL A 73 -3.798 -5.498 4.156 1.00 42.41 O ATOM 1166 CB VAL A 73 -3.261 -5.544 1.198 1.00 62.15 C ATOM 1167 CG1 VAL A 73 -4.726 -5.511 0.755 1.00 4.23 C ATOM 1168 CG2 VAL A 73 -2.318 -5.491 -0.007 1.00 34.34 C ATOM 0 H VAL A 73 -0.988 -5.144 2.141 1.00 14.12 H new ATOM 0 HA VAL A 73 -3.162 -3.435 1.698 1.00 63.23 H new ATOM 0 HB VAL A 73 -3.096 -6.488 1.718 1.00 62.15 H new ATOM 0 HG11 VAL A 73 -4.916 -6.333 0.065 1.00 4.23 H new ATOM 0 HG12 VAL A 73 -5.372 -5.612 1.627 1.00 4.23 H new ATOM 0 HG13 VAL A 73 -4.934 -4.564 0.257 1.00 4.23 H new ATOM 0 HG21 VAL A 73 -2.551 -6.310 -0.688 1.00 34.34 H new ATOM 0 HG22 VAL A 73 -2.444 -4.541 -0.526 1.00 34.34 H new ATOM 0 HG23 VAL A 73 -1.287 -5.584 0.334 1.00 34.34 H new ATOM 1178 N THR A 74 -4.691 -3.496 3.638 1.00 21.51 N ATOM 1179 CA THR A 74 -5.621 -3.479 4.774 1.00 41.24 C ATOM 1180 C THR A 74 -7.019 -3.950 4.360 1.00 21.12 C ATOM 1181 O THR A 74 -7.638 -4.774 5.038 1.00 62.03 O ATOM 1182 CB THR A 74 -5.738 -2.063 5.387 1.00 71.24 C ATOM 1183 OG1 THR A 74 -6.241 -1.138 4.410 1.00 21.33 O ATOM 1184 CG2 THR A 74 -4.389 -1.573 5.904 1.00 30.44 C ATOM 0 H THR A 74 -4.745 -2.670 3.042 1.00 21.51 H new ATOM 0 HA THR A 74 -5.214 -4.164 5.518 1.00 41.24 H new ATOM 0 HB THR A 74 -6.432 -2.120 6.226 1.00 71.24 H new ATOM 0 HG1 THR A 74 -6.312 -0.246 4.810 1.00 21.33 H new ATOM 0 HG21 THR A 74 -4.503 -0.576 6.329 1.00 30.44 H new ATOM 0 HG22 THR A 74 -4.024 -2.255 6.672 1.00 30.44 H new ATOM 0 HG23 THR A 74 -3.675 -1.538 5.081 1.00 30.44 H new ATOM 1192 N SER A 75 -7.514 -3.416 3.248 1.00 5.33 N ATOM 1193 CA SER A 75 -8.843 -3.775 2.730 1.00 54.24 C ATOM 1194 C SER A 75 -8.739 -4.758 1.556 1.00 11.41 C ATOM 1195 O SER A 75 -7.881 -4.608 0.682 1.00 4.11 O ATOM 1196 CB SER A 75 -9.600 -2.513 2.283 1.00 62.21 C ATOM 1197 OG SER A 75 -9.763 -1.592 3.356 1.00 3.32 O ATOM 0 H SER A 75 -7.017 -2.729 2.681 1.00 5.33 H new ATOM 0 HA SER A 75 -9.392 -4.261 3.536 1.00 54.24 H new ATOM 0 HB2 SER A 75 -9.058 -2.032 1.469 1.00 62.21 H new ATOM 0 HB3 SER A 75 -10.578 -2.794 1.892 1.00 62.21 H new ATOM 0 HG SER A 75 -10.246 -0.801 3.038 1.00 3.32 H new ATOM 1203 N ARG A 76 -9.620 -5.758 1.538 1.00 1.24 N ATOM 1204 CA ARG A 76 -9.615 -6.781 0.485 1.00 42.10 C ATOM 1205 C ARG A 76 -9.934 -6.183 -0.899 1.00 70.23 C ATOM 1206 O ARG A 76 -10.884 -5.404 -1.044 1.00 10.45 O ATOM 1207 CB ARG A 76 -10.622 -7.891 0.820 1.00 64.51 C ATOM 1208 CG ARG A 76 -10.223 -8.750 2.018 1.00 70.12 C ATOM 1209 CD ARG A 76 -11.314 -9.753 2.377 1.00 31.24 C ATOM 1210 NE ARG A 76 -10.874 -10.708 3.395 1.00 1.52 N ATOM 1211 CZ ARG A 76 -11.663 -11.248 4.288 1.00 32.21 C ATOM 1212 NH1 ARG A 76 -12.908 -10.906 4.370 1.00 42.40 N ATOM 1213 NH2 ARG A 76 -11.200 -12.123 5.117 1.00 2.51 N ATOM 0 H ARG A 76 -10.349 -5.884 2.241 1.00 1.24 H new ATOM 0 HA ARG A 76 -8.610 -7.201 0.442 1.00 42.10 H new ATOM 0 HB2 ARG A 76 -11.594 -7.438 1.018 1.00 64.51 H new ATOM 0 HB3 ARG A 76 -10.742 -8.534 -0.052 1.00 64.51 H new ATOM 0 HG2 ARG A 76 -9.298 -9.282 1.793 1.00 70.12 H new ATOM 0 HG3 ARG A 76 -10.021 -8.108 2.876 1.00 70.12 H new ATOM 0 HD2 ARG A 76 -12.192 -9.218 2.739 1.00 31.24 H new ATOM 0 HD3 ARG A 76 -11.617 -10.294 1.481 1.00 31.24 H new ATOM 0 HE ARG A 76 -9.888 -10.970 3.409 1.00 1.52 H new ATOM 0 HH11 ARG A 76 -13.288 -10.206 3.733 1.00 42.40 H new ATOM 0 HH12 ARG A 76 -13.510 -11.337 5.072 1.00 42.40 H new ATOM 0 HH21 ARG A 76 -10.218 -12.394 5.076 1.00 2.51 H new ATOM 0 HH22 ARG A 76 -11.817 -12.543 5.813 1.00 2.51 H new ATOM 1227 N PRO A 77 -9.151 -6.552 -1.940 1.00 13.31 N ATOM 1228 CA PRO A 77 -9.359 -6.053 -3.313 1.00 13.52 C ATOM 1229 C PRO A 77 -10.803 -6.232 -3.800 1.00 64.55 C ATOM 1230 O PRO A 77 -11.213 -7.323 -4.209 1.00 30.44 O ATOM 1231 CB PRO A 77 -8.399 -6.898 -4.157 1.00 2.11 C ATOM 1232 CG PRO A 77 -7.338 -7.326 -3.206 1.00 54.33 C ATOM 1233 CD PRO A 77 -8.009 -7.482 -1.865 1.00 53.00 C ATOM 0 HA PRO A 77 -9.174 -4.981 -3.379 1.00 13.52 H new ATOM 0 HB2 PRO A 77 -8.908 -7.757 -4.595 1.00 2.11 H new ATOM 0 HB3 PRO A 77 -7.982 -6.319 -4.981 1.00 2.11 H new ATOM 0 HG2 PRO A 77 -6.885 -8.265 -3.526 1.00 54.33 H new ATOM 0 HG3 PRO A 77 -6.539 -6.587 -3.157 1.00 54.33 H new ATOM 0 HD2 PRO A 77 -8.337 -8.508 -1.698 1.00 53.00 H new ATOM 0 HD3 PRO A 77 -7.336 -7.225 -1.047 1.00 53.00 H new ATOM 1241 N GLY A 78 -11.569 -5.155 -3.739 1.00 24.22 N ATOM 1242 CA GLY A 78 -12.970 -5.203 -4.121 1.00 54.22 C ATOM 1243 C GLY A 78 -13.764 -4.058 -3.508 1.00 22.53 C ATOM 1244 O GLY A 78 -14.737 -3.580 -4.090 1.00 44.52 O ATOM 0 H GLY A 78 -11.245 -4.239 -3.429 1.00 24.22 H new ATOM 0 HA2 GLY A 78 -13.052 -5.161 -5.207 1.00 54.22 H new ATOM 0 HA3 GLY A 78 -13.400 -6.153 -3.805 1.00 54.22 H new ATOM 1248 N GLN A 79 -13.340 -3.620 -2.322 1.00 54.11 N ATOM 1249 CA GLN A 79 -13.948 -2.463 -1.656 1.00 52.13 C ATOM 1250 C GLN A 79 -13.811 -1.206 -2.532 1.00 34.13 C ATOM 1251 O GLN A 79 -12.704 -0.732 -2.778 1.00 11.40 O ATOM 1252 CB GLN A 79 -13.285 -2.240 -0.289 1.00 0.24 C ATOM 1253 CG GLN A 79 -13.367 -3.456 0.634 1.00 3.45 C ATOM 1254 CD GLN A 79 -14.796 -3.823 1.010 1.00 14.14 C ATOM 1255 OE1 GLN A 79 -15.668 -2.966 1.109 1.00 11.03 O ATOM 1256 NE2 GLN A 79 -15.051 -5.101 1.208 1.00 25.30 N ATOM 0 H GLN A 79 -12.576 -4.049 -1.800 1.00 54.11 H new ATOM 0 HA GLN A 79 -15.009 -2.660 -1.505 1.00 52.13 H new ATOM 0 HB2 GLN A 79 -12.238 -1.979 -0.440 1.00 0.24 H new ATOM 0 HB3 GLN A 79 -13.758 -1.389 0.201 1.00 0.24 H new ATOM 0 HG2 GLN A 79 -12.896 -4.309 0.145 1.00 3.45 H new ATOM 0 HG3 GLN A 79 -12.799 -3.255 1.542 1.00 3.45 H new ATOM 0 HE21 GLN A 79 -14.304 -5.790 1.118 1.00 25.30 H new ATOM 0 HE22 GLN A 79 -15.995 -5.401 1.451 1.00 25.30 H new ATOM 1265 N ASP A 80 -14.945 -0.701 -3.025 1.00 4.13 N ATOM 1266 CA ASP A 80 -14.968 0.443 -3.950 1.00 71.12 C ATOM 1267 C ASP A 80 -14.294 0.080 -5.292 1.00 74.42 C ATOM 1268 O ASP A 80 -13.975 0.948 -6.107 1.00 24.52 O ATOM 1269 CB ASP A 80 -14.297 1.670 -3.299 1.00 53.21 C ATOM 1270 CG ASP A 80 -14.563 2.962 -4.056 1.00 3.11 C ATOM 1271 OD1 ASP A 80 -15.750 3.306 -4.244 1.00 54.11 O ATOM 1272 OD2 ASP A 80 -13.599 3.655 -4.437 1.00 34.22 O ATOM 0 H ASP A 80 -15.869 -1.068 -2.798 1.00 4.13 H new ATOM 0 HA ASP A 80 -16.006 0.697 -4.163 1.00 71.12 H new ATOM 0 HB2 ASP A 80 -14.657 1.774 -2.275 1.00 53.21 H new ATOM 0 HB3 ASP A 80 -13.221 1.503 -3.243 1.00 53.21 H new ATOM 1277 N GLY A 81 -14.112 -1.222 -5.522 1.00 71.11 N ATOM 1278 CA GLY A 81 -13.433 -1.699 -6.724 1.00 14.32 C ATOM 1279 C GLY A 81 -11.920 -1.485 -6.686 1.00 23.03 C ATOM 1280 O GLY A 81 -11.212 -1.814 -7.642 1.00 32.43 O ATOM 0 H GLY A 81 -14.425 -1.961 -4.893 1.00 71.11 H new ATOM 0 HA2 GLY A 81 -13.640 -2.761 -6.853 1.00 14.32 H new ATOM 0 HA3 GLY A 81 -13.844 -1.186 -7.593 1.00 14.32 H new ATOM 1284 N VAL A 82 -11.420 -0.955 -5.572 1.00 72.21 N ATOM 1285 CA VAL A 82 -10.003 -0.602 -5.440 1.00 22.12 C ATOM 1286 C VAL A 82 -9.355 -1.314 -4.234 1.00 65.51 C ATOM 1287 O VAL A 82 -10.047 -1.913 -3.404 1.00 52.24 O ATOM 1288 CB VAL A 82 -9.849 0.938 -5.301 1.00 43.54 C ATOM 1289 CG1 VAL A 82 -10.452 1.432 -3.987 1.00 1.14 C ATOM 1290 CG2 VAL A 82 -8.389 1.372 -5.436 1.00 13.34 C ATOM 0 H VAL A 82 -11.977 -0.758 -4.741 1.00 72.21 H new ATOM 0 HA VAL A 82 -9.487 -0.935 -6.341 1.00 22.12 H new ATOM 0 HB VAL A 82 -10.402 1.399 -6.120 1.00 43.54 H new ATOM 0 HG11 VAL A 82 -10.331 2.513 -3.915 1.00 1.14 H new ATOM 0 HG12 VAL A 82 -11.513 1.183 -3.957 1.00 1.14 H new ATOM 0 HG13 VAL A 82 -9.943 0.953 -3.150 1.00 1.14 H new ATOM 0 HG21 VAL A 82 -8.320 2.455 -5.333 1.00 13.34 H new ATOM 0 HG22 VAL A 82 -7.794 0.895 -4.657 1.00 13.34 H new ATOM 0 HG23 VAL A 82 -8.010 1.076 -6.414 1.00 13.34 H new ATOM 1300 N ILE A 83 -8.025 -1.271 -4.161 1.00 35.34 N ATOM 1301 CA ILE A 83 -7.276 -1.870 -3.050 1.00 74.32 C ATOM 1302 C ILE A 83 -6.716 -0.787 -2.104 1.00 14.44 C ATOM 1303 O ILE A 83 -6.077 0.163 -2.554 1.00 42.12 O ATOM 1304 CB ILE A 83 -6.100 -2.724 -3.586 1.00 14.25 C ATOM 1305 CG1 ILE A 83 -6.596 -3.685 -4.681 1.00 4.24 C ATOM 1306 CG2 ILE A 83 -5.436 -3.495 -2.444 1.00 52.44 C ATOM 1307 CD1 ILE A 83 -5.488 -4.439 -5.385 1.00 5.41 C ATOM 0 H ILE A 83 -7.437 -0.824 -4.864 1.00 35.34 H new ATOM 0 HA ILE A 83 -7.969 -2.503 -2.495 1.00 74.32 H new ATOM 0 HB ILE A 83 -5.355 -2.060 -4.025 1.00 14.25 H new ATOM 0 HG12 ILE A 83 -7.284 -4.403 -4.235 1.00 4.24 H new ATOM 0 HG13 ILE A 83 -7.162 -3.117 -5.420 1.00 4.24 H new ATOM 0 HG21 ILE A 83 -4.612 -4.090 -2.838 1.00 52.44 H new ATOM 0 HG22 ILE A 83 -5.055 -2.792 -1.704 1.00 52.44 H new ATOM 0 HG23 ILE A 83 -6.168 -4.154 -1.976 1.00 52.44 H new ATOM 0 HD11 ILE A 83 -5.918 -5.095 -6.142 1.00 5.41 H new ATOM 0 HD12 ILE A 83 -4.811 -3.730 -5.862 1.00 5.41 H new ATOM 0 HD13 ILE A 83 -4.936 -5.036 -4.659 1.00 5.41 H new ATOM 1319 N ASN A 84 -6.963 -0.931 -0.800 1.00 72.34 N ATOM 1320 CA ASN A 84 -6.444 0.021 0.200 1.00 23.02 C ATOM 1321 C ASN A 84 -5.411 -0.644 1.128 1.00 35.45 C ATOM 1322 O ASN A 84 -5.569 -1.800 1.529 1.00 32.10 O ATOM 1323 CB ASN A 84 -7.594 0.602 1.040 1.00 2.51 C ATOM 1324 CG ASN A 84 -8.568 1.436 0.220 1.00 34.10 C ATOM 1325 OD1 ASN A 84 -8.788 1.189 -0.960 1.00 11.42 O ATOM 1326 ND2 ASN A 84 -9.164 2.434 0.840 1.00 12.22 N ATOM 0 H ASN A 84 -7.516 -1.693 -0.407 1.00 72.34 H new ATOM 0 HA ASN A 84 -5.950 0.827 -0.343 1.00 23.02 H new ATOM 0 HB2 ASN A 84 -8.136 -0.214 1.517 1.00 2.51 H new ATOM 0 HB3 ASN A 84 -7.179 1.218 1.837 1.00 2.51 H new ATOM 0 HD21 ASN A 84 -9.827 3.024 0.337 1.00 12.22 H new ATOM 0 HD22 ASN A 84 -8.962 2.617 1.823 1.00 12.22 H new ATOM 1333 N GLY A 85 -4.359 0.099 1.473 1.00 32.20 N ATOM 1334 CA GLY A 85 -3.325 -0.416 2.367 1.00 23.43 C ATOM 1335 C GLY A 85 -2.549 0.689 3.084 1.00 65.41 C ATOM 1336 O GLY A 85 -2.737 1.869 2.798 1.00 73.31 O ATOM 0 H GLY A 85 -4.202 1.053 1.149 1.00 32.20 H new ATOM 0 HA2 GLY A 85 -3.786 -1.068 3.109 1.00 23.43 H new ATOM 0 HA3 GLY A 85 -2.629 -1.028 1.793 1.00 23.43 H new ATOM 1340 N VAL A 86 -1.673 0.314 4.017 1.00 30.32 N ATOM 1341 CA VAL A 86 -0.872 1.301 4.767 1.00 21.53 C ATOM 1342 C VAL A 86 0.592 1.358 4.312 1.00 1.32 C ATOM 1343 O VAL A 86 1.166 0.366 3.865 1.00 64.11 O ATOM 1344 CB VAL A 86 -0.904 1.053 6.297 1.00 21.24 C ATOM 1345 CG1 VAL A 86 -2.132 1.704 6.923 1.00 31.42 C ATOM 1346 CG2 VAL A 86 -0.847 -0.441 6.610 1.00 21.53 C ATOM 0 H VAL A 86 -1.496 -0.657 4.275 1.00 30.32 H new ATOM 0 HA VAL A 86 -1.345 2.258 4.547 1.00 21.53 H new ATOM 0 HB VAL A 86 -0.020 1.515 6.736 1.00 21.24 H new ATOM 0 HG11 VAL A 86 -2.135 1.518 7.997 1.00 31.42 H new ATOM 0 HG12 VAL A 86 -2.107 2.778 6.741 1.00 31.42 H new ATOM 0 HG13 VAL A 86 -3.034 1.282 6.479 1.00 31.42 H new ATOM 0 HG21 VAL A 86 -0.871 -0.588 7.690 1.00 21.53 H new ATOM 0 HG22 VAL A 86 -1.703 -0.941 6.157 1.00 21.53 H new ATOM 0 HG23 VAL A 86 0.074 -0.862 6.207 1.00 21.53 H new ATOM 1356 N LEU A 87 1.186 2.539 4.462 1.00 4.10 N ATOM 1357 CA LEU A 87 2.574 2.787 4.072 1.00 51.11 C ATOM 1358 C LEU A 87 3.565 2.316 5.149 1.00 40.14 C ATOM 1359 O LEU A 87 3.690 2.932 6.209 1.00 34.51 O ATOM 1360 CB LEU A 87 2.765 4.286 3.811 1.00 4.04 C ATOM 1361 CG LEU A 87 4.200 4.724 3.468 1.00 40.34 C ATOM 1362 CD1 LEU A 87 4.669 4.083 2.162 1.00 74.32 C ATOM 1363 CD2 LEU A 87 4.297 6.246 3.397 1.00 10.11 C ATOM 0 H LEU A 87 0.718 3.354 4.858 1.00 4.10 H new ATOM 0 HA LEU A 87 2.778 2.217 3.166 1.00 51.11 H new ATOM 0 HB2 LEU A 87 2.109 4.580 2.992 1.00 4.04 H new ATOM 0 HB3 LEU A 87 2.438 4.835 4.694 1.00 4.04 H new ATOM 0 HG LEU A 87 4.860 4.380 4.264 1.00 40.34 H new ATOM 0 HD11 LEU A 87 5.686 4.408 1.942 1.00 74.32 H new ATOM 0 HD12 LEU A 87 4.649 2.998 2.262 1.00 74.32 H new ATOM 0 HD13 LEU A 87 4.007 4.385 1.350 1.00 74.32 H new ATOM 0 HD21 LEU A 87 5.320 6.534 3.153 1.00 10.11 H new ATOM 0 HD22 LEU A 87 3.622 6.618 2.627 1.00 10.11 H new ATOM 0 HD23 LEU A 87 4.019 6.674 4.360 1.00 10.11 H new ATOM 1375 N ILE A 88 4.267 1.223 4.871 1.00 40.41 N ATOM 1376 CA ILE A 88 5.312 0.724 5.771 1.00 21.31 C ATOM 1377 C ILE A 88 6.667 0.679 5.049 1.00 73.03 C ATOM 1378 O ILE A 88 6.752 0.918 3.842 1.00 15.04 O ATOM 1379 CB ILE A 88 4.966 -0.677 6.334 1.00 50.43 C ATOM 1380 CG1 ILE A 88 4.988 -1.728 5.213 1.00 41.31 C ATOM 1381 CG2 ILE A 88 3.605 -0.652 7.036 1.00 55.22 C ATOM 1382 CD1 ILE A 88 4.463 -3.086 5.629 1.00 13.33 C ATOM 0 H ILE A 88 4.135 0.662 4.030 1.00 40.41 H new ATOM 0 HA ILE A 88 5.375 1.416 6.611 1.00 21.31 H new ATOM 0 HB ILE A 88 5.721 -0.952 7.070 1.00 50.43 H new ATOM 0 HG12 ILE A 88 4.395 -1.362 4.375 1.00 41.31 H new ATOM 0 HG13 ILE A 88 6.011 -1.840 4.855 1.00 41.31 H new ATOM 0 HG21 ILE A 88 3.378 -1.645 7.425 1.00 55.22 H new ATOM 0 HG22 ILE A 88 3.633 0.063 7.858 1.00 55.22 H new ATOM 0 HG23 ILE A 88 2.834 -0.356 6.324 1.00 55.22 H new ATOM 0 HD11 ILE A 88 4.512 -3.770 4.782 1.00 13.33 H new ATOM 0 HD12 ILE A 88 5.070 -3.476 6.446 1.00 13.33 H new ATOM 0 HD13 ILE A 88 3.428 -2.991 5.959 1.00 13.33 H new ATOM 1394 N ARG A 89 7.730 0.376 5.785 1.00 73.11 N ATOM 1395 CA ARG A 89 9.089 0.414 5.228 1.00 23.20 C ATOM 1396 C ARG A 89 9.859 -0.881 5.568 1.00 42.41 C ATOM 1397 O ARG A 89 10.757 -0.881 6.409 1.00 71.04 O ATOM 1398 CB ARG A 89 9.861 1.642 5.770 1.00 24.41 C ATOM 1399 CG ARG A 89 9.036 2.932 5.868 1.00 20.00 C ATOM 1400 CD ARG A 89 8.532 3.427 4.513 1.00 44.52 C ATOM 1401 NE ARG A 89 9.612 3.864 3.632 1.00 61.43 N ATOM 1402 CZ ARG A 89 9.424 4.401 2.455 1.00 24.54 C ATOM 1403 NH1 ARG A 89 8.224 4.579 1.996 1.00 31.31 N ATOM 1404 NH2 ARG A 89 10.436 4.773 1.744 1.00 11.12 N ATOM 0 H ARG A 89 7.684 0.101 6.766 1.00 73.11 H new ATOM 0 HA ARG A 89 9.007 0.495 4.144 1.00 23.20 H new ATOM 0 HB2 ARG A 89 10.250 1.401 6.759 1.00 24.41 H new ATOM 0 HB3 ARG A 89 10.721 1.826 5.126 1.00 24.41 H new ATOM 0 HG2 ARG A 89 8.184 2.762 6.526 1.00 20.00 H new ATOM 0 HG3 ARG A 89 9.644 3.711 6.329 1.00 20.00 H new ATOM 0 HD2 ARG A 89 7.972 2.629 4.025 1.00 44.52 H new ATOM 0 HD3 ARG A 89 7.839 4.254 4.668 1.00 44.52 H new ATOM 0 HE ARG A 89 10.572 3.743 3.955 1.00 61.43 H new ATOM 0 HH11 ARG A 89 7.418 4.299 2.554 1.00 31.31 H new ATOM 0 HH12 ARG A 89 8.087 4.999 1.077 1.00 31.31 H new ATOM 0 HH21 ARG A 89 11.383 4.648 2.101 1.00 11.12 H new ATOM 0 HH22 ARG A 89 10.288 5.192 0.826 1.00 11.12 H new ATOM 1418 N GLU A 90 9.493 -1.983 4.914 1.00 74.24 N ATOM 1419 CA GLU A 90 10.101 -3.292 5.205 1.00 14.32 C ATOM 1420 C GLU A 90 11.425 -3.492 4.448 1.00 42.05 C ATOM 1421 O GLU A 90 12.463 -3.760 5.056 1.00 62.01 O ATOM 1422 CB GLU A 90 9.122 -4.419 4.849 1.00 54.44 C ATOM 1423 CG GLU A 90 7.750 -4.274 5.503 1.00 42.15 C ATOM 1424 CD GLU A 90 7.802 -4.241 7.028 1.00 30.22 C ATOM 1425 OE1 GLU A 90 7.983 -5.313 7.645 1.00 63.22 O ATOM 1426 OE2 GLU A 90 7.642 -3.148 7.615 1.00 40.30 O ATOM 0 H GLU A 90 8.783 -2.002 4.182 1.00 74.24 H new ATOM 0 HA GLU A 90 10.321 -3.321 6.272 1.00 14.32 H new ATOM 0 HB2 GLU A 90 8.997 -4.450 3.767 1.00 54.44 H new ATOM 0 HB3 GLU A 90 9.557 -5.373 5.147 1.00 54.44 H new ATOM 0 HG2 GLU A 90 7.280 -3.358 5.144 1.00 42.15 H new ATOM 0 HG3 GLU A 90 7.116 -5.103 5.187 1.00 42.15 H new ATOM 1433 N LEU A 91 11.378 -3.382 3.121 1.00 43.42 N ATOM 1434 CA LEU A 91 12.577 -3.533 2.289 1.00 4.33 C ATOM 1435 C LEU A 91 13.628 -2.459 2.620 1.00 42.11 C ATOM 1436 O LEU A 91 13.283 -1.312 2.928 1.00 12.41 O ATOM 1437 CB LEU A 91 12.209 -3.472 0.798 1.00 62.32 C ATOM 1438 CG LEU A 91 11.207 -4.540 0.322 1.00 3.12 C ATOM 1439 CD1 LEU A 91 10.912 -4.381 -1.170 1.00 12.04 C ATOM 1440 CD2 LEU A 91 11.724 -5.945 0.626 1.00 42.30 C ATOM 0 H LEU A 91 10.525 -3.189 2.597 1.00 43.42 H new ATOM 0 HA LEU A 91 13.011 -4.509 2.507 1.00 4.33 H new ATOM 0 HB2 LEU A 91 11.794 -2.487 0.583 1.00 62.32 H new ATOM 0 HB3 LEU A 91 13.123 -3.568 0.211 1.00 62.32 H new ATOM 0 HG LEU A 91 10.275 -4.397 0.869 1.00 3.12 H new ATOM 0 HD11 LEU A 91 10.202 -5.146 -1.484 1.00 12.04 H new ATOM 0 HD12 LEU A 91 10.487 -3.394 -1.354 1.00 12.04 H new ATOM 0 HD13 LEU A 91 11.836 -4.489 -1.737 1.00 12.04 H new ATOM 0 HD21 LEU A 91 10.999 -6.682 0.281 1.00 42.30 H new ATOM 0 HD22 LEU A 91 12.673 -6.102 0.114 1.00 42.30 H new ATOM 0 HD23 LEU A 91 11.869 -6.055 1.701 1.00 42.30 H new ATOM 1452 N GLU A 92 14.903 -2.840 2.517 1.00 73.22 N ATOM 1453 CA GLU A 92 16.032 -2.002 2.952 1.00 64.22 C ATOM 1454 C GLU A 92 16.001 -0.588 2.329 1.00 42.33 C ATOM 1455 O GLU A 92 15.569 0.373 2.969 1.00 41.11 O ATOM 1456 CB GLU A 92 17.354 -2.712 2.613 1.00 45.10 C ATOM 1457 CG GLU A 92 18.597 -2.031 3.179 1.00 41.12 C ATOM 1458 CD GLU A 92 18.596 -1.968 4.698 1.00 24.34 C ATOM 1459 OE1 GLU A 92 18.706 -3.034 5.340 1.00 43.52 O ATOM 1460 OE2 GLU A 92 18.495 -0.853 5.252 1.00 74.21 O ATOM 0 H GLU A 92 15.187 -3.740 2.129 1.00 73.22 H new ATOM 0 HA GLU A 92 15.947 -1.866 4.030 1.00 64.22 H new ATOM 0 HB2 GLU A 92 17.311 -3.734 2.990 1.00 45.10 H new ATOM 0 HB3 GLU A 92 17.451 -2.776 1.529 1.00 45.10 H new ATOM 0 HG2 GLU A 92 19.484 -2.568 2.843 1.00 41.12 H new ATOM 0 HG3 GLU A 92 18.666 -1.020 2.778 1.00 41.12 H new ATOM 1467 N HIS A 93 16.452 -0.458 1.080 1.00 72.54 N ATOM 1468 CA HIS A 93 16.459 0.843 0.396 1.00 62.12 C ATOM 1469 C HIS A 93 15.438 0.874 -0.750 1.00 3.31 C ATOM 1470 O HIS A 93 15.550 0.125 -1.717 1.00 55.25 O ATOM 1471 CB HIS A 93 17.861 1.180 -0.140 1.00 64.23 C ATOM 1472 CG HIS A 93 18.881 1.427 0.935 1.00 23.20 C ATOM 1473 ND1 HIS A 93 18.952 2.606 1.647 1.00 62.20 N ATOM 1474 CD2 HIS A 93 19.874 0.643 1.418 1.00 11.40 C ATOM 1475 CE1 HIS A 93 19.937 2.535 2.519 1.00 54.40 C ATOM 1476 NE2 HIS A 93 20.513 1.358 2.403 1.00 71.45 N ATOM 0 H HIS A 93 16.816 -1.230 0.522 1.00 72.54 H new ATOM 0 HA HIS A 93 16.177 1.597 1.131 1.00 62.12 H new ATOM 0 HB2 HIS A 93 18.204 0.361 -0.772 1.00 64.23 H new ATOM 0 HB3 HIS A 93 17.794 2.064 -0.774 1.00 64.23 H new ATOM 0 HD2 HIS A 93 20.118 -0.357 1.091 1.00 11.40 H new ATOM 0 HE1 HIS A 93 20.223 3.312 3.212 1.00 54.40 H new ATOM 0 HE2 HIS A 93 21.305 1.029 2.955 1.00 71.45 H new ATOM 1485 N HIS A 94 14.448 1.762 -0.641 1.00 2.05 N ATOM 1486 CA HIS A 94 13.384 1.864 -1.653 1.00 23.24 C ATOM 1487 C HIS A 94 13.785 2.787 -2.814 1.00 13.05 C ATOM 1488 O HIS A 94 12.943 3.239 -3.586 1.00 51.14 O ATOM 1489 CB HIS A 94 12.084 2.343 -0.998 1.00 75.21 C ATOM 1490 CG HIS A 94 11.597 1.401 0.058 1.00 32.45 C ATOM 1491 ND1 HIS A 94 10.807 0.309 -0.215 1.00 55.41 N ATOM 1492 CD2 HIS A 94 11.836 1.363 1.389 1.00 74.33 C ATOM 1493 CE1 HIS A 94 10.588 -0.358 0.894 1.00 42.12 C ATOM 1494 NE2 HIS A 94 11.201 0.254 1.888 1.00 22.25 N ATOM 0 H HIS A 94 14.357 2.420 0.133 1.00 2.05 H new ATOM 0 HA HIS A 94 13.225 0.872 -2.075 1.00 23.24 H new ATOM 0 HB2 HIS A 94 12.243 3.327 -0.558 1.00 75.21 H new ATOM 0 HB3 HIS A 94 11.315 2.456 -1.762 1.00 75.21 H new ATOM 0 HD2 HIS A 94 12.419 2.075 1.955 1.00 74.33 H new ATOM 0 HE1 HIS A 94 10.001 -1.261 0.979 1.00 42.12 H new ATOM 0 HE2 HIS A 94 11.203 -0.046 2.863 1.00 22.25 H new ATOM 1503 N HIS A 95 15.084 3.027 -2.954 1.00 61.12 N ATOM 1504 CA HIS A 95 15.617 3.806 -4.073 1.00 11.13 C ATOM 1505 C HIS A 95 15.900 2.880 -5.276 1.00 33.34 C ATOM 1506 O HIS A 95 16.731 3.182 -6.132 1.00 50.13 O ATOM 1507 CB HIS A 95 16.895 4.534 -3.618 1.00 44.42 C ATOM 1508 CG HIS A 95 17.424 5.533 -4.603 1.00 34.44 C ATOM 1509 ND1 HIS A 95 16.886 6.792 -4.762 1.00 73.42 N ATOM 1510 CD2 HIS A 95 18.452 5.458 -5.483 1.00 74.14 C ATOM 1511 CE1 HIS A 95 17.556 7.442 -5.689 1.00 45.44 C ATOM 1512 NE2 HIS A 95 18.509 6.657 -6.142 1.00 45.23 N ATOM 0 H HIS A 95 15.794 2.692 -2.303 1.00 61.12 H new ATOM 0 HA HIS A 95 14.885 4.549 -4.390 1.00 11.13 H new ATOM 0 HB2 HIS A 95 16.692 5.043 -2.676 1.00 44.42 H new ATOM 0 HB3 HIS A 95 17.669 3.793 -3.419 1.00 44.42 H new ATOM 0 HD2 HIS A 95 19.104 4.611 -5.636 1.00 74.14 H new ATOM 0 HE1 HIS A 95 17.357 8.450 -6.022 1.00 45.44 H new ATOM 0 HE2 HIS A 95 19.183 6.902 -6.868 1.00 45.23 H new ATOM 1521 N HIS A 96 15.159 1.771 -5.343 1.00 65.52 N ATOM 1522 CA HIS A 96 15.373 0.729 -6.356 1.00 74.12 C ATOM 1523 C HIS A 96 15.361 1.287 -7.790 1.00 2.31 C ATOM 1524 O HIS A 96 14.306 1.613 -8.339 1.00 73.00 O ATOM 1525 CB HIS A 96 14.311 -0.374 -6.214 1.00 13.51 C ATOM 1526 CG HIS A 96 14.417 -1.164 -4.941 1.00 44.44 C ATOM 1527 ND1 HIS A 96 13.355 -1.381 -4.080 1.00 31.23 N ATOM 1528 CD2 HIS A 96 15.471 -1.814 -4.393 1.00 32.31 C ATOM 1529 CE1 HIS A 96 13.757 -2.123 -3.069 1.00 20.35 C ATOM 1530 NE2 HIS A 96 15.030 -2.400 -3.235 1.00 43.51 N ATOM 0 H HIS A 96 14.395 1.568 -4.699 1.00 65.52 H new ATOM 0 HA HIS A 96 16.365 0.312 -6.180 1.00 74.12 H new ATOM 0 HB2 HIS A 96 13.321 0.080 -6.267 1.00 13.51 H new ATOM 0 HB3 HIS A 96 14.394 -1.056 -7.061 1.00 13.51 H new ATOM 0 HD1 HIS A 96 12.409 -1.022 -4.209 1.00 31.23 H new ATOM 0 HD2 HIS A 96 16.473 -1.862 -4.794 1.00 32.31 H new ATOM 0 HE1 HIS A 96 13.143 -2.449 -2.242 1.00 20.35 H new ATOM 1539 N HIS A 97 16.548 1.385 -8.389 1.00 65.40 N ATOM 1540 CA HIS A 97 16.689 1.813 -9.783 1.00 31.04 C ATOM 1541 C HIS A 97 16.147 0.734 -10.738 1.00 10.14 C ATOM 1542 O HIS A 97 15.800 1.016 -11.887 1.00 5.51 O ATOM 1543 CB HIS A 97 18.164 2.116 -10.090 1.00 51.33 C ATOM 1544 CG HIS A 97 18.396 2.718 -11.446 1.00 61.10 C ATOM 1545 ND1 HIS A 97 19.261 2.182 -12.377 1.00 34.12 N ATOM 1546 CD2 HIS A 97 17.876 3.829 -12.022 1.00 75.04 C ATOM 1547 CE1 HIS A 97 19.267 2.935 -13.457 1.00 31.43 C ATOM 1548 NE2 HIS A 97 18.436 3.939 -13.270 1.00 33.41 N ATOM 0 H HIS A 97 17.432 1.172 -7.927 1.00 65.40 H new ATOM 0 HA HIS A 97 16.105 2.721 -9.933 1.00 31.04 H new ATOM 0 HB2 HIS A 97 18.550 2.797 -9.331 1.00 51.33 H new ATOM 0 HB3 HIS A 97 18.738 1.193 -10.011 1.00 51.33 H new ATOM 0 HD2 HIS A 97 17.156 4.502 -11.581 1.00 75.04 H new ATOM 0 HE1 HIS A 97 19.854 2.759 -14.346 1.00 31.43 H new ATOM 0 HE2 HIS A 97 18.240 4.679 -13.944 1.00 33.41 H new ATOM 1557 N HIS A 98 16.088 -0.507 -10.249 1.00 63.31 N ATOM 1558 CA HIS A 98 15.468 -1.617 -10.992 1.00 12.05 C ATOM 1559 C HIS A 98 14.526 -2.439 -10.082 1.00 40.11 C ATOM 1560 O HIS A 98 15.020 -3.185 -9.210 1.00 37.80 O ATOM 1561 CB HIS A 98 16.538 -2.515 -11.651 1.00 43.15 C ATOM 1562 CG HIS A 98 17.508 -3.158 -10.699 1.00 61.14 C ATOM 1563 ND1 HIS A 98 17.352 -4.439 -10.215 1.00 72.11 N ATOM 1564 CD2 HIS A 98 18.662 -2.698 -10.162 1.00 11.25 C ATOM 1565 CE1 HIS A 98 18.361 -4.739 -9.426 1.00 13.23 C ATOM 1566 NE2 HIS A 98 19.171 -3.702 -9.376 1.00 30.40 N ATOM 1567 OXT HIS A 98 13.290 -2.318 -10.234 1.00 37.80 O ATOM 0 H HIS A 98 16.462 -0.773 -9.338 1.00 63.31 H new ATOM 0 HA HIS A 98 14.863 -1.187 -11.790 1.00 12.05 H new ATOM 0 HB2 HIS A 98 16.034 -3.299 -12.216 1.00 43.15 H new ATOM 0 HB3 HIS A 98 17.100 -1.917 -12.368 1.00 43.15 H new ATOM 0 HD2 HIS A 98 19.100 -1.724 -10.322 1.00 11.25 H new ATOM 0 HE1 HIS A 98 18.501 -5.676 -8.908 1.00 13.23 H new ATOM 0 HE2 HIS A 98 20.037 -3.653 -8.840 1.00 30.40 H new TER 1576 HIS A 98