USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 TYR N :NH3+ 175:sc= 0.894 (180deg=0.761) USER MOD Single : A 1 TYR OH : rot 80:sc= 0.283 USER MOD Single : A 3 SER OG : rot 16:sc= 0.818 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9.8!) USER MOD Single : A 9 ASN : amide:sc= -1.15! C(o=-1.2!,f=-1.7!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.324 USER MOD Single : A 23 HIS : no HD1:sc= -0.074 X(o=-0.074,f=-0.18) USER MOD Single : A 24 ASN : amide:sc= -0.973 K(o=-0.97,f=-1.6) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0193 (180deg=-0.298) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 116:sc= 0.619 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -0.295 (180deg=-1.32!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 20.566 2.216 5.765 1.00 9.65 N ATOM 2 CA TYR A 1 21.769 1.403 5.422 1.00 9.38 C ATOM 3 C TYR A 1 21.877 1.271 3.901 1.00 7.87 C ATOM 4 O TYR A 1 22.779 0.631 3.395 1.00 7.54 O ATOM 5 CB TYR A 1 21.671 0.009 6.043 1.00 10.63 C ATOM 6 CG TYR A 1 20.632 0.027 7.166 1.00 12.21 C ATOM 7 CD1 TYR A 1 20.747 0.920 8.212 1.00 13.13 C ATOM 8 CD2 TYR A 1 19.564 -0.849 7.150 1.00 12.90 C ATOM 9 CE1 TYR A 1 19.810 0.937 9.226 1.00 14.63 C ATOM 10 CE2 TYR A 1 18.628 -0.832 8.164 1.00 14.44 C ATOM 11 CZ TYR A 1 18.743 0.062 9.209 1.00 15.27 C ATOM 12 OH TYR A 1 17.807 0.080 10.223 1.00 16.85 O ATOM 0 H1 TYR A 1 20.443 2.236 6.798 1.00 9.65 H new ATOM 0 H2 TYR A 1 20.691 3.186 5.412 1.00 9.65 H new ATOM 0 H3 TYR A 1 19.724 1.793 5.324 1.00 9.65 H new ATOM 0 HA TYR A 1 22.653 1.903 5.817 1.00 9.38 H new ATOM 0 HB2 TYR A 1 21.390 -0.721 5.284 1.00 10.63 H new ATOM 0 HB3 TYR A 1 22.641 -0.296 6.435 1.00 10.63 H new ATOM 0 HD1 TYR A 1 21.577 1.611 8.238 1.00 13.13 H new ATOM 0 HD2 TYR A 1 19.461 -1.553 6.337 1.00 12.90 H new ATOM 0 HE1 TYR A 1 19.913 1.641 10.039 1.00 14.63 H new ATOM 0 HE2 TYR A 1 17.799 -1.524 8.140 1.00 14.44 H new ATOM 0 HH TYR A 1 17.177 0.816 10.074 1.00 16.85 H new ATOM 24 N ALA A 2 20.954 1.877 3.205 1.00 7.18 N ATOM 25 CA ALA A 2 20.988 1.797 1.714 1.00 5.74 C ATOM 26 C ALA A 2 20.543 3.129 1.098 1.00 4.90 C ATOM 27 O ALA A 2 20.392 3.241 -0.102 1.00 4.07 O ATOM 28 CB ALA A 2 20.048 0.685 1.252 1.00 6.17 C ATOM 0 H ALA A 2 20.184 2.419 3.598 1.00 7.18 H new ATOM 0 HA ALA A 2 22.007 1.584 1.391 1.00 5.74 H new ATOM 0 HB1 ALA A 2 20.068 0.621 0.164 1.00 6.17 H new ATOM 0 HB2 ALA A 2 20.371 -0.265 1.678 1.00 6.17 H new ATOM 0 HB3 ALA A 2 19.033 0.905 1.584 1.00 6.17 H new ATOM 34 N SER A 3 20.343 4.112 1.935 1.00 5.48 N ATOM 35 CA SER A 3 19.909 5.440 1.411 1.00 5.27 C ATOM 36 C SER A 3 20.002 6.501 2.514 1.00 6.23 C ATOM 37 O SER A 3 20.379 6.207 3.631 1.00 6.93 O ATOM 38 CB SER A 3 18.464 5.337 0.925 1.00 5.68 C ATOM 39 OG SER A 3 18.576 4.797 -0.383 1.00 4.73 O ATOM 0 H SER A 3 20.460 4.055 2.947 1.00 5.48 H new ATOM 0 HA SER A 3 20.560 5.731 0.587 1.00 5.27 H new ATOM 0 HB2 SER A 3 17.871 4.692 1.573 1.00 5.68 H new ATOM 0 HB3 SER A 3 17.977 6.312 0.913 1.00 5.68 H new ATOM 0 HG SER A 3 19.468 4.409 -0.502 1.00 4.73 H new ATOM 45 N LEU A 4 19.657 7.713 2.174 1.00 6.56 N ATOM 46 CA LEU A 4 19.718 8.805 3.189 1.00 7.71 C ATOM 47 C LEU A 4 18.429 8.831 4.016 1.00 8.10 C ATOM 48 O LEU A 4 18.460 8.693 5.223 1.00 8.94 O ATOM 49 CB LEU A 4 19.893 10.143 2.473 1.00 8.20 C ATOM 50 CG LEU A 4 21.155 10.091 1.610 1.00 7.74 C ATOM 51 CD1 LEU A 4 20.758 9.881 0.148 1.00 6.67 C ATOM 52 CD2 LEU A 4 21.909 11.416 1.741 1.00 9.04 C ATOM 0 H LEU A 4 19.338 7.994 1.247 1.00 6.56 H new ATOM 0 HA LEU A 4 20.561 8.628 3.857 1.00 7.71 H new ATOM 0 HB2 LEU A 4 19.022 10.353 1.852 1.00 8.20 H new ATOM 0 HB3 LEU A 4 19.969 10.951 3.201 1.00 8.20 H new ATOM 0 HG LEU A 4 21.792 9.270 1.940 1.00 7.74 H new ATOM 0 HD11 LEU A 4 21.655 9.843 -0.471 1.00 6.67 H new ATOM 0 HD12 LEU A 4 20.210 8.944 0.051 1.00 6.67 H new ATOM 0 HD13 LEU A 4 20.126 10.706 -0.179 1.00 6.67 H new ATOM 0 HD21 LEU A 4 22.810 11.384 1.128 1.00 9.04 H new ATOM 0 HD22 LEU A 4 21.270 12.233 1.406 1.00 9.04 H new ATOM 0 HD23 LEU A 4 22.185 11.576 2.783 1.00 9.04 H new ATOM 64 N GLU A 5 17.323 9.008 3.347 1.00 7.67 N ATOM 65 CA GLU A 5 16.023 9.045 4.078 1.00 8.07 C ATOM 66 C GLU A 5 15.476 7.625 4.258 1.00 7.38 C ATOM 67 O GLU A 5 14.545 7.225 3.586 1.00 6.94 O ATOM 68 CB GLU A 5 15.024 9.879 3.277 1.00 8.41 C ATOM 69 CG GLU A 5 15.366 11.362 3.438 1.00 9.32 C ATOM 70 CD GLU A 5 14.652 12.167 2.351 1.00 9.50 C ATOM 71 OE1 GLU A 5 13.653 11.658 1.868 1.00 9.45 O ATOM 72 OE2 GLU A 5 15.144 13.245 2.065 1.00 9.93 O ATOM 0 H GLU A 5 17.262 9.128 2.336 1.00 7.67 H new ATOM 0 HA GLU A 5 16.176 9.490 5.061 1.00 8.07 H new ATOM 0 HB2 GLU A 5 15.058 9.598 2.225 1.00 8.41 H new ATOM 0 HB3 GLU A 5 14.009 9.687 3.626 1.00 8.41 H new ATOM 0 HG2 GLU A 5 15.062 11.712 4.425 1.00 9.32 H new ATOM 0 HG3 GLU A 5 16.444 11.508 3.366 1.00 9.32 H new ATOM 79 N GLU A 6 16.068 6.893 5.161 1.00 7.61 N ATOM 80 CA GLU A 6 15.595 5.497 5.399 1.00 7.35 C ATOM 81 C GLU A 6 14.065 5.462 5.473 1.00 7.14 C ATOM 82 O GLU A 6 13.444 6.371 5.986 1.00 7.49 O ATOM 83 CB GLU A 6 16.183 4.989 6.714 1.00 8.67 C ATOM 84 CG GLU A 6 15.997 3.472 6.796 1.00 9.02 C ATOM 85 CD GLU A 6 15.929 3.050 8.265 1.00 10.70 C ATOM 86 OE1 GLU A 6 14.966 3.448 8.899 1.00 11.32 O ATOM 87 OE2 GLU A 6 16.844 2.352 8.670 1.00 11.36 O ATOM 0 H GLU A 6 16.851 7.196 5.740 1.00 7.61 H new ATOM 0 HA GLU A 6 15.921 4.861 4.576 1.00 7.35 H new ATOM 0 HB2 GLU A 6 17.242 5.241 6.774 1.00 8.67 H new ATOM 0 HB3 GLU A 6 15.691 5.474 7.557 1.00 8.67 H new ATOM 0 HG2 GLU A 6 15.084 3.177 6.278 1.00 9.02 H new ATOM 0 HG3 GLU A 6 16.824 2.965 6.298 1.00 9.02 H new ATOM 94 N GLN A 7 13.490 4.409 4.956 1.00 6.76 N ATOM 95 CA GLN A 7 12.002 4.297 4.986 1.00 6.67 C ATOM 96 C GLN A 7 11.480 4.543 6.406 1.00 7.44 C ATOM 97 O GLN A 7 11.844 3.844 7.333 1.00 8.30 O ATOM 98 CB GLN A 7 11.598 2.896 4.530 1.00 7.05 C ATOM 99 CG GLN A 7 12.130 2.657 3.116 1.00 6.00 C ATOM 100 CD GLN A 7 11.294 1.570 2.437 1.00 6.76 C ATOM 101 OE1 GLN A 7 10.207 1.820 1.953 1.00 7.00 O ATOM 102 NE2 GLN A 7 11.762 0.353 2.381 1.00 7.49 N ATOM 0 H GLN A 7 13.980 3.629 4.518 1.00 6.76 H new ATOM 0 HA GLN A 7 11.572 5.045 4.319 1.00 6.67 H new ATOM 0 HB2 GLN A 7 11.999 2.148 5.214 1.00 7.05 H new ATOM 0 HB3 GLN A 7 10.513 2.794 4.546 1.00 7.05 H new ATOM 0 HG2 GLN A 7 12.086 3.580 2.538 1.00 6.00 H new ATOM 0 HG3 GLN A 7 13.177 2.355 3.155 1.00 6.00 H new ATOM 0 HE21 GLN A 7 12.673 0.138 2.785 1.00 7.49 H new ATOM 0 HE22 GLN A 7 11.216 -0.383 1.933 1.00 7.49 H new ATOM 111 N ASN A 8 10.637 5.530 6.545 1.00 7.31 N ATOM 112 CA ASN A 8 10.080 5.839 7.895 1.00 8.16 C ATOM 113 C ASN A 8 8.690 5.212 8.051 1.00 8.28 C ATOM 114 O ASN A 8 8.295 4.370 7.269 1.00 7.72 O ATOM 115 CB ASN A 8 9.976 7.354 8.057 1.00 8.51 C ATOM 116 CG ASN A 8 9.272 7.946 6.835 1.00 7.79 C ATOM 117 OD1 ASN A 8 8.141 7.616 6.534 1.00 8.01 O ATOM 118 ND2 ASN A 8 9.903 8.823 6.103 1.00 7.23 N ATOM 0 H ASN A 8 10.311 6.132 5.789 1.00 7.31 H new ATOM 0 HA ASN A 8 10.740 5.427 8.659 1.00 8.16 H new ATOM 0 HB2 ASN A 8 9.422 7.597 8.964 1.00 8.51 H new ATOM 0 HB3 ASN A 8 10.970 7.789 8.165 1.00 8.51 H new ATOM 0 HD21 ASN A 8 9.447 9.227 5.285 1.00 7.23 H new ATOM 0 HD22 ASN A 8 10.852 9.105 6.349 1.00 7.23 H new ATOM 125 N ASN A 9 7.978 5.637 9.059 1.00 9.12 N ATOM 126 CA ASN A 9 6.612 5.077 9.280 1.00 9.33 C ATOM 127 C ASN A 9 5.756 5.256 8.023 1.00 8.26 C ATOM 128 O ASN A 9 5.009 4.373 7.648 1.00 8.32 O ATOM 129 CB ASN A 9 5.957 5.809 10.452 1.00 10.51 C ATOM 130 CG ASN A 9 5.376 7.135 9.957 1.00 10.51 C ATOM 131 OD1 ASN A 9 6.092 8.087 9.718 1.00 10.31 O ATOM 132 ND2 ASN A 9 4.086 7.240 9.794 1.00 10.95 N ATOM 0 H ASN A 9 8.278 6.341 9.734 1.00 9.12 H new ATOM 0 HA ASN A 9 6.691 4.013 9.502 1.00 9.33 H new ATOM 0 HB2 ASN A 9 5.170 5.193 10.886 1.00 10.51 H new ATOM 0 HB3 ASN A 9 6.690 5.990 11.238 1.00 10.51 H new ATOM 0 HD21 ASN A 9 3.683 8.118 9.467 1.00 10.95 H new ATOM 0 HD22 ASN A 9 3.480 6.444 9.993 1.00 10.95 H new ATOM 139 N ASP A 10 5.882 6.394 7.399 1.00 7.50 N ATOM 140 CA ASP A 10 5.082 6.647 6.164 1.00 6.56 C ATOM 141 C ASP A 10 5.864 6.194 4.926 1.00 4.73 C ATOM 142 O ASP A 10 6.997 6.586 4.727 1.00 4.09 O ATOM 143 CB ASP A 10 4.784 8.142 6.060 1.00 7.09 C ATOM 144 CG ASP A 10 4.060 8.425 4.743 1.00 6.86 C ATOM 145 OD1 ASP A 10 3.409 7.507 4.275 1.00 6.78 O ATOM 146 OD2 ASP A 10 4.199 9.545 4.279 1.00 7.15 O ATOM 0 H ASP A 10 6.498 7.155 7.686 1.00 7.50 H new ATOM 0 HA ASP A 10 4.150 6.085 6.217 1.00 6.56 H new ATOM 0 HB2 ASP A 10 4.169 8.461 6.902 1.00 7.09 H new ATOM 0 HB3 ASP A 10 5.711 8.713 6.108 1.00 7.09 H new ATOM 151 N ALA A 11 5.241 5.378 4.119 1.00 4.14 N ATOM 152 CA ALA A 11 5.936 4.891 2.890 1.00 2.43 C ATOM 153 C ALA A 11 5.044 3.904 2.129 1.00 2.11 C ATOM 154 O ALA A 11 4.291 3.160 2.727 1.00 2.60 O ATOM 155 CB ALA A 11 7.235 4.197 3.295 1.00 3.10 C ATOM 0 H ALA A 11 4.292 5.030 4.254 1.00 4.14 H new ATOM 0 HA ALA A 11 6.152 5.739 2.240 1.00 2.43 H new ATOM 0 HB1 ALA A 11 7.749 3.838 2.403 1.00 3.10 H new ATOM 0 HB2 ALA A 11 7.875 4.903 3.824 1.00 3.10 H new ATOM 0 HB3 ALA A 11 7.009 3.354 3.948 1.00 3.10 H new ATOM 161 N LEU A 12 5.153 3.924 0.823 1.00 1.46 N ATOM 162 CA LEU A 12 4.325 2.995 -0.013 1.00 1.07 C ATOM 163 C LEU A 12 5.236 2.113 -0.874 1.00 0.92 C ATOM 164 O LEU A 12 6.445 2.180 -0.770 1.00 1.25 O ATOM 165 CB LEU A 12 3.414 3.821 -0.925 1.00 1.07 C ATOM 166 CG LEU A 12 2.489 4.693 -0.069 1.00 1.31 C ATOM 167 CD1 LEU A 12 2.087 5.933 -0.871 1.00 1.48 C ATOM 168 CD2 LEU A 12 1.228 3.902 0.292 1.00 1.26 C ATOM 0 H LEU A 12 5.776 4.540 0.300 1.00 1.46 H new ATOM 0 HA LEU A 12 3.725 2.360 0.639 1.00 1.07 H new ATOM 0 HB2 LEU A 12 4.014 4.448 -1.585 1.00 1.07 H new ATOM 0 HB3 LEU A 12 2.824 3.161 -1.561 1.00 1.07 H new ATOM 0 HG LEU A 12 3.008 4.989 0.842 1.00 1.31 H new ATOM 0 HD11 LEU A 12 1.429 6.558 -0.268 1.00 1.48 H new ATOM 0 HD12 LEU A 12 2.980 6.498 -1.139 1.00 1.48 H new ATOM 0 HD13 LEU A 12 1.566 5.627 -1.778 1.00 1.48 H new ATOM 0 HD21 LEU A 12 0.571 4.523 0.901 1.00 1.26 H new ATOM 0 HD22 LEU A 12 0.708 3.610 -0.620 1.00 1.26 H new ATOM 0 HD23 LEU A 12 1.506 3.010 0.853 1.00 1.26 H new ATOM 180 N SER A 13 4.636 1.303 -1.707 1.00 0.55 N ATOM 181 CA SER A 13 5.456 0.416 -2.583 1.00 0.70 C ATOM 182 C SER A 13 4.760 0.234 -3.950 1.00 0.44 C ATOM 183 O SER A 13 3.585 0.510 -4.086 1.00 0.50 O ATOM 184 CB SER A 13 5.614 -0.944 -1.901 1.00 1.13 C ATOM 185 OG SER A 13 7.007 -1.042 -1.642 1.00 2.41 O ATOM 0 H SER A 13 3.626 1.218 -1.818 1.00 0.55 H new ATOM 0 HA SER A 13 6.435 0.866 -2.745 1.00 0.70 H new ATOM 0 HB2 SER A 13 5.033 -0.998 -0.981 1.00 1.13 H new ATOM 0 HB3 SER A 13 5.270 -1.755 -2.544 1.00 1.13 H new ATOM 0 HG SER A 13 7.198 -1.895 -1.198 1.00 2.41 H new ATOM 191 N PRO A 14 5.508 -0.232 -4.941 1.00 0.28 N ATOM 192 CA PRO A 14 4.951 -0.452 -6.286 1.00 0.25 C ATOM 193 C PRO A 14 3.798 -1.464 -6.243 1.00 0.36 C ATOM 194 O PRO A 14 2.788 -1.287 -6.893 1.00 0.78 O ATOM 195 CB PRO A 14 6.112 -1.012 -7.118 1.00 0.36 C ATOM 196 CG PRO A 14 7.333 -1.170 -6.164 1.00 0.35 C ATOM 197 CD PRO A 14 6.938 -0.568 -4.805 1.00 0.39 C ATOM 0 HA PRO A 14 4.547 0.469 -6.706 1.00 0.25 H new ATOM 0 HB2 PRO A 14 5.841 -1.972 -7.558 1.00 0.36 H new ATOM 0 HB3 PRO A 14 6.353 -0.341 -7.942 1.00 0.36 H new ATOM 0 HG2 PRO A 14 7.601 -2.221 -6.055 1.00 0.35 H new ATOM 0 HG3 PRO A 14 8.206 -0.659 -6.571 1.00 0.35 H new ATOM 0 HD2 PRO A 14 7.102 -1.279 -3.995 1.00 0.39 H new ATOM 0 HD3 PRO A 14 7.532 0.317 -4.577 1.00 0.39 H new ATOM 205 N ALA A 15 3.980 -2.505 -5.478 1.00 0.22 N ATOM 206 CA ALA A 15 2.911 -3.544 -5.384 1.00 0.48 C ATOM 207 C ALA A 15 1.555 -2.897 -5.079 1.00 0.39 C ATOM 208 O ALA A 15 0.528 -3.363 -5.532 1.00 0.25 O ATOM 209 CB ALA A 15 3.269 -4.525 -4.267 1.00 0.77 C ATOM 0 H ALA A 15 4.814 -2.682 -4.918 1.00 0.22 H new ATOM 0 HA ALA A 15 2.839 -4.068 -6.337 1.00 0.48 H new ATOM 0 HB1 ALA A 15 2.494 -5.288 -4.190 1.00 0.77 H new ATOM 0 HB2 ALA A 15 4.224 -4.999 -4.492 1.00 0.77 H new ATOM 0 HB3 ALA A 15 3.344 -3.988 -3.321 1.00 0.77 H new ATOM 215 N ILE A 16 1.581 -1.839 -4.320 1.00 0.63 N ATOM 216 CA ILE A 16 0.299 -1.155 -3.975 1.00 0.58 C ATOM 217 C ILE A 16 -0.546 -0.934 -5.235 1.00 0.54 C ATOM 218 O ILE A 16 -1.733 -0.685 -5.153 1.00 0.62 O ATOM 219 CB ILE A 16 0.608 0.194 -3.329 1.00 0.63 C ATOM 220 CG1 ILE A 16 -0.624 0.668 -2.551 1.00 0.69 C ATOM 221 CG2 ILE A 16 0.940 1.213 -4.420 1.00 0.65 C ATOM 222 CD1 ILE A 16 -0.340 2.045 -1.950 1.00 0.74 C ATOM 0 H ILE A 16 2.423 -1.419 -3.926 1.00 0.63 H new ATOM 0 HA ILE A 16 -0.262 -1.782 -3.282 1.00 0.58 H new ATOM 0 HB ILE A 16 1.457 0.095 -2.653 1.00 0.63 H new ATOM 0 HG12 ILE A 16 -1.489 0.718 -3.212 1.00 0.69 H new ATOM 0 HG13 ILE A 16 -0.866 -0.044 -1.762 1.00 0.69 H new ATOM 0 HG21 ILE A 16 1.161 2.177 -3.962 1.00 0.65 H new ATOM 0 HG22 ILE A 16 1.808 0.872 -4.985 1.00 0.65 H new ATOM 0 HG23 ILE A 16 0.088 1.317 -5.092 1.00 0.65 H new ATOM 0 HD11 ILE A 16 -1.214 2.387 -1.395 1.00 0.74 H new ATOM 0 HD12 ILE A 16 0.514 1.979 -1.277 1.00 0.74 H new ATOM 0 HD13 ILE A 16 -0.118 2.752 -2.749 1.00 0.74 H new ATOM 234 N ARG A 17 0.082 -1.029 -6.374 1.00 0.49 N ATOM 235 CA ARG A 17 -0.673 -0.822 -7.645 1.00 0.48 C ATOM 236 C ARG A 17 -1.220 -2.157 -8.163 1.00 0.39 C ATOM 237 O ARG A 17 -2.331 -2.229 -8.649 1.00 0.37 O ATOM 238 CB ARG A 17 0.262 -0.214 -8.690 1.00 0.60 C ATOM 239 CG ARG A 17 0.273 1.307 -8.527 1.00 0.54 C ATOM 240 CD ARG A 17 1.490 1.882 -9.254 1.00 1.07 C ATOM 241 NE ARG A 17 1.086 3.129 -9.963 1.00 1.17 N ATOM 242 CZ ARG A 17 2.001 3.878 -10.514 1.00 1.94 C ATOM 243 NH1 ARG A 17 2.561 4.817 -9.802 1.00 3.01 N ATOM 244 NH2 ARG A 17 2.326 3.664 -11.760 1.00 2.34 N ATOM 0 H ARG A 17 1.074 -1.239 -6.482 1.00 0.49 H new ATOM 0 HA ARG A 17 -1.510 -0.149 -7.458 1.00 0.48 H new ATOM 0 HB2 ARG A 17 1.270 -0.612 -8.570 1.00 0.60 H new ATOM 0 HB3 ARG A 17 -0.070 -0.482 -9.693 1.00 0.60 H new ATOM 0 HG2 ARG A 17 -0.644 1.735 -8.933 1.00 0.54 H new ATOM 0 HG3 ARG A 17 0.307 1.571 -7.470 1.00 0.54 H new ATOM 0 HD2 ARG A 17 2.288 2.095 -8.543 1.00 1.07 H new ATOM 0 HD3 ARG A 17 1.882 1.155 -9.965 1.00 1.07 H new ATOM 0 HE ARG A 17 0.103 3.395 -10.017 1.00 1.17 H new ATOM 0 HH11 ARG A 17 2.282 4.956 -8.831 1.00 3.01 H new ATOM 0 HH12 ARG A 17 3.278 5.412 -10.216 1.00 3.01 H new ATOM 0 HH21 ARG A 17 1.867 2.921 -12.286 1.00 2.34 H new ATOM 0 HH22 ARG A 17 3.039 4.240 -12.207 1.00 2.34 H new ATOM 258 N ARG A 18 -0.426 -3.187 -8.048 1.00 0.41 N ATOM 259 CA ARG A 18 -0.887 -4.522 -8.529 1.00 0.32 C ATOM 260 C ARG A 18 -1.630 -5.261 -7.411 1.00 0.25 C ATOM 261 O ARG A 18 -1.853 -6.453 -7.493 1.00 0.43 O ATOM 262 CB ARG A 18 0.327 -5.343 -8.963 1.00 0.28 C ATOM 263 CG ARG A 18 0.965 -4.685 -10.187 1.00 0.32 C ATOM 264 CD ARG A 18 2.234 -5.452 -10.564 1.00 1.00 C ATOM 265 NE ARG A 18 3.399 -4.828 -9.875 1.00 2.44 N ATOM 266 CZ ARG A 18 4.134 -3.962 -10.517 1.00 3.06 C ATOM 267 NH1 ARG A 18 3.565 -2.899 -11.016 1.00 3.31 N ATOM 268 NH2 ARG A 18 5.413 -4.187 -10.637 1.00 3.99 N ATOM 0 H ARG A 18 0.511 -3.164 -7.647 1.00 0.41 H new ATOM 0 HA ARG A 18 -1.565 -4.385 -9.371 1.00 0.32 H new ATOM 0 HB2 ARG A 18 1.050 -5.404 -8.149 1.00 0.28 H new ATOM 0 HB3 ARG A 18 0.026 -6.364 -9.199 1.00 0.28 H new ATOM 0 HG2 ARG A 18 0.264 -4.685 -11.022 1.00 0.32 H new ATOM 0 HG3 ARG A 18 1.205 -3.644 -9.972 1.00 0.32 H new ATOM 0 HD2 ARG A 18 2.142 -6.499 -10.275 1.00 1.00 H new ATOM 0 HD3 ARG A 18 2.380 -5.432 -11.644 1.00 1.00 H new ATOM 0 HE ARG A 18 3.620 -5.076 -8.910 1.00 2.44 H new ATOM 0 HH11 ARG A 18 2.562 -2.756 -10.901 1.00 3.31 H new ATOM 0 HH12 ARG A 18 4.124 -2.211 -11.521 1.00 3.31 H new ATOM 0 HH21 ARG A 18 5.823 -5.029 -10.232 1.00 3.99 H new ATOM 0 HH22 ARG A 18 6.003 -3.521 -11.136 1.00 3.99 H new ATOM 282 N LEU A 19 -1.997 -4.536 -6.391 1.00 0.28 N ATOM 283 CA LEU A 19 -2.727 -5.180 -5.260 1.00 0.24 C ATOM 284 C LEU A 19 -4.235 -5.171 -5.531 1.00 0.27 C ATOM 285 O LEU A 19 -4.957 -6.033 -5.070 1.00 0.39 O ATOM 286 CB LEU A 19 -2.434 -4.410 -3.972 1.00 0.29 C ATOM 287 CG LEU A 19 -2.838 -5.268 -2.772 1.00 0.29 C ATOM 288 CD1 LEU A 19 -1.613 -6.030 -2.264 1.00 0.30 C ATOM 289 CD2 LEU A 19 -3.363 -4.360 -1.658 1.00 0.39 C ATOM 0 H LEU A 19 -1.826 -3.535 -6.290 1.00 0.28 H new ATOM 0 HA LEU A 19 -2.394 -6.213 -5.159 1.00 0.24 H new ATOM 0 HB2 LEU A 19 -1.374 -4.161 -3.916 1.00 0.29 H new ATOM 0 HB3 LEU A 19 -2.984 -3.469 -3.963 1.00 0.29 H new ATOM 0 HG LEU A 19 -3.614 -5.974 -3.068 1.00 0.29 H new ATOM 0 HD11 LEU A 19 -1.895 -6.643 -1.408 1.00 0.30 H new ATOM 0 HD12 LEU A 19 -1.227 -6.670 -3.058 1.00 0.30 H new ATOM 0 HD13 LEU A 19 -0.842 -5.321 -1.963 1.00 0.30 H new ATOM 0 HD21 LEU A 19 -3.652 -4.967 -0.800 1.00 0.39 H new ATOM 0 HD22 LEU A 19 -2.582 -3.660 -1.361 1.00 0.39 H new ATOM 0 HD23 LEU A 19 -4.229 -3.805 -2.019 1.00 0.39 H new ATOM 301 N LEU A 20 -4.679 -4.196 -6.277 1.00 0.18 N ATOM 302 CA LEU A 20 -6.136 -4.116 -6.589 1.00 0.22 C ATOM 303 C LEU A 20 -6.526 -5.217 -7.582 1.00 0.22 C ATOM 304 O LEU A 20 -7.636 -5.711 -7.559 1.00 0.30 O ATOM 305 CB LEU A 20 -6.441 -2.748 -7.200 1.00 0.22 C ATOM 306 CG LEU A 20 -6.389 -1.685 -6.102 1.00 0.30 C ATOM 307 CD1 LEU A 20 -5.964 -0.349 -6.714 1.00 0.34 C ATOM 308 CD2 LEU A 20 -7.781 -1.536 -5.482 1.00 0.44 C ATOM 0 H LEU A 20 -4.103 -3.458 -6.681 1.00 0.18 H new ATOM 0 HA LEU A 20 -6.708 -4.251 -5.671 1.00 0.22 H new ATOM 0 HB2 LEU A 20 -5.718 -2.516 -7.982 1.00 0.22 H new ATOM 0 HB3 LEU A 20 -7.425 -2.757 -7.668 1.00 0.22 H new ATOM 0 HG LEU A 20 -5.673 -1.981 -5.335 1.00 0.30 H new ATOM 0 HD11 LEU A 20 -5.925 0.412 -5.935 1.00 0.34 H new ATOM 0 HD12 LEU A 20 -4.979 -0.454 -7.168 1.00 0.34 H new ATOM 0 HD13 LEU A 20 -6.685 -0.052 -7.476 1.00 0.34 H new ATOM 0 HD21 LEU A 20 -7.751 -0.779 -4.698 1.00 0.44 H new ATOM 0 HD22 LEU A 20 -8.491 -1.234 -6.251 1.00 0.44 H new ATOM 0 HD23 LEU A 20 -8.093 -2.489 -5.055 1.00 0.44 H new ATOM 320 N ALA A 21 -5.603 -5.577 -8.431 1.00 0.16 N ATOM 321 CA ALA A 21 -5.904 -6.644 -9.431 1.00 0.24 C ATOM 322 C ALA A 21 -5.852 -8.023 -8.764 1.00 0.46 C ATOM 323 O ALA A 21 -6.748 -8.829 -8.929 1.00 1.07 O ATOM 324 CB ALA A 21 -4.871 -6.583 -10.554 1.00 0.31 C ATOM 0 H ALA A 21 -4.663 -5.184 -8.477 1.00 0.16 H new ATOM 0 HA ALA A 21 -6.903 -6.485 -9.836 1.00 0.24 H new ATOM 0 HB1 ALA A 21 -5.085 -7.360 -11.288 1.00 0.31 H new ATOM 0 HB2 ALA A 21 -4.915 -5.606 -11.036 1.00 0.31 H new ATOM 0 HB3 ALA A 21 -3.875 -6.739 -10.141 1.00 0.31 H new ATOM 330 N GLU A 22 -4.804 -8.265 -8.026 1.00 0.19 N ATOM 331 CA GLU A 22 -4.678 -9.584 -7.342 1.00 0.25 C ATOM 332 C GLU A 22 -6.004 -9.961 -6.672 1.00 0.28 C ATOM 333 O GLU A 22 -6.461 -11.082 -6.780 1.00 0.46 O ATOM 334 CB GLU A 22 -3.580 -9.495 -6.283 1.00 0.37 C ATOM 335 CG GLU A 22 -3.600 -10.765 -5.430 1.00 1.04 C ATOM 336 CD GLU A 22 -2.260 -10.909 -4.706 1.00 1.35 C ATOM 337 OE1 GLU A 22 -2.139 -10.288 -3.662 1.00 2.44 O ATOM 338 OE2 GLU A 22 -1.432 -11.630 -5.238 1.00 0.95 O ATOM 0 H GLU A 22 -4.035 -7.613 -7.867 1.00 0.19 H new ATOM 0 HA GLU A 22 -4.425 -10.347 -8.078 1.00 0.25 H new ATOM 0 HB2 GLU A 22 -2.607 -9.378 -6.760 1.00 0.37 H new ATOM 0 HB3 GLU A 22 -3.734 -8.618 -5.655 1.00 0.37 H new ATOM 0 HG2 GLU A 22 -4.414 -10.718 -4.707 1.00 1.04 H new ATOM 0 HG3 GLU A 22 -3.782 -11.636 -6.059 1.00 1.04 H new ATOM 345 N HIS A 23 -6.593 -9.014 -5.993 1.00 0.20 N ATOM 346 CA HIS A 23 -7.889 -9.299 -5.312 1.00 0.35 C ATOM 347 C HIS A 23 -9.060 -8.896 -6.214 1.00 0.37 C ATOM 348 O HIS A 23 -10.196 -9.239 -5.952 1.00 0.51 O ATOM 349 CB HIS A 23 -7.952 -8.505 -4.008 1.00 0.54 C ATOM 350 CG HIS A 23 -6.679 -8.758 -3.197 1.00 0.59 C ATOM 351 ND1 HIS A 23 -6.256 -9.888 -2.860 1.00 0.70 N ATOM 352 CD2 HIS A 23 -5.765 -7.857 -2.685 1.00 0.60 C ATOM 353 CE1 HIS A 23 -5.178 -9.797 -2.192 1.00 0.82 C ATOM 354 NE2 HIS A 23 -4.789 -8.534 -2.030 1.00 0.77 N ATOM 0 H HIS A 23 -6.238 -8.065 -5.881 1.00 0.20 H new ATOM 0 HA HIS A 23 -7.958 -10.366 -5.102 1.00 0.35 H new ATOM 0 HB2 HIS A 23 -8.055 -7.441 -4.222 1.00 0.54 H new ATOM 0 HB3 HIS A 23 -8.829 -8.800 -3.431 1.00 0.54 H new ATOM 0 HD2 HIS A 23 -5.819 -6.783 -2.790 1.00 0.60 H new ATOM 0 HE1 HIS A 23 -4.639 -10.647 -1.801 1.00 0.82 H new ATOM 0 HE2 HIS A 23 -3.971 -8.171 -1.541 1.00 0.77 H new ATOM 362 N ASN A 24 -8.756 -8.172 -7.257 1.00 0.32 N ATOM 363 CA ASN A 24 -9.839 -7.737 -8.188 1.00 0.49 C ATOM 364 C ASN A 24 -10.973 -7.064 -7.407 1.00 0.61 C ATOM 365 O ASN A 24 -12.134 -7.339 -7.634 1.00 1.09 O ATOM 366 CB ASN A 24 -10.383 -8.958 -8.927 1.00 0.63 C ATOM 367 CG ASN A 24 -9.333 -9.456 -9.922 1.00 1.37 C ATOM 368 OD1 ASN A 24 -8.675 -10.452 -9.702 1.00 2.30 O ATOM 369 ND2 ASN A 24 -9.145 -8.790 -11.030 1.00 1.79 N ATOM 0 H ASN A 24 -7.815 -7.865 -7.504 1.00 0.32 H new ATOM 0 HA ASN A 24 -9.432 -7.021 -8.902 1.00 0.49 H new ATOM 0 HB2 ASN A 24 -10.631 -9.747 -8.217 1.00 0.63 H new ATOM 0 HB3 ASN A 24 -11.304 -8.700 -9.451 1.00 0.63 H new ATOM 0 HD21 ASN A 24 -8.449 -9.108 -11.704 1.00 1.79 H new ATOM 0 HD22 ASN A 24 -9.695 -7.952 -11.221 1.00 1.79 H new ATOM 376 N LEU A 25 -10.610 -6.197 -6.502 1.00 0.29 N ATOM 377 CA LEU A 25 -11.655 -5.495 -5.699 1.00 0.47 C ATOM 378 C LEU A 25 -11.984 -4.139 -6.329 1.00 0.54 C ATOM 379 O LEU A 25 -11.162 -3.549 -7.004 1.00 0.68 O ATOM 380 CB LEU A 25 -11.137 -5.286 -4.276 1.00 0.50 C ATOM 381 CG LEU A 25 -11.530 -6.491 -3.417 1.00 0.65 C ATOM 382 CD1 LEU A 25 -10.568 -6.598 -2.231 1.00 0.68 C ATOM 383 CD2 LEU A 25 -12.955 -6.296 -2.894 1.00 0.78 C ATOM 0 H LEU A 25 -9.646 -5.945 -6.284 1.00 0.29 H new ATOM 0 HA LEU A 25 -12.560 -6.102 -5.679 1.00 0.47 H new ATOM 0 HB2 LEU A 25 -10.053 -5.167 -4.284 1.00 0.50 H new ATOM 0 HB3 LEU A 25 -11.555 -4.372 -3.854 1.00 0.50 H new ATOM 0 HG LEU A 25 -11.480 -7.401 -4.015 1.00 0.65 H new ATOM 0 HD11 LEU A 25 -10.843 -7.455 -1.616 1.00 0.68 H new ATOM 0 HD12 LEU A 25 -9.550 -6.727 -2.599 1.00 0.68 H new ATOM 0 HD13 LEU A 25 -10.625 -5.688 -1.633 1.00 0.68 H new ATOM 0 HD21 LEU A 25 -13.238 -7.152 -2.282 1.00 0.78 H new ATOM 0 HD22 LEU A 25 -13.001 -5.389 -2.292 1.00 0.78 H new ATOM 0 HD23 LEU A 25 -13.642 -6.208 -3.735 1.00 0.78 H new ATOM 395 N ASP A 26 -13.180 -3.672 -6.095 1.00 0.47 N ATOM 396 CA ASP A 26 -13.578 -2.355 -6.674 1.00 0.53 C ATOM 397 C ASP A 26 -13.286 -1.229 -5.677 1.00 0.49 C ATOM 398 O ASP A 26 -14.139 -0.847 -4.900 1.00 0.73 O ATOM 399 CB ASP A 26 -15.073 -2.382 -6.991 1.00 0.58 C ATOM 400 CG ASP A 26 -15.332 -3.381 -8.120 1.00 1.13 C ATOM 401 OD1 ASP A 26 -14.809 -3.133 -9.194 1.00 1.57 O ATOM 402 OD2 ASP A 26 -16.040 -4.337 -7.845 1.00 1.94 O ATOM 0 H ASP A 26 -13.893 -4.139 -5.534 1.00 0.47 H new ATOM 0 HA ASP A 26 -13.007 -2.174 -7.585 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -15.640 -2.664 -6.103 1.00 0.58 H new ATOM 0 HB3 ASP A 26 -15.412 -1.388 -7.284 1.00 0.58 H new ATOM 407 N ALA A 27 -12.084 -0.722 -5.721 1.00 0.51 N ATOM 408 CA ALA A 27 -11.717 0.379 -4.783 1.00 0.49 C ATOM 409 C ALA A 27 -12.818 1.445 -4.759 1.00 0.39 C ATOM 410 O ALA A 27 -12.910 2.226 -3.833 1.00 0.36 O ATOM 411 CB ALA A 27 -10.406 1.011 -5.243 1.00 0.62 C ATOM 0 H ALA A 27 -11.346 -1.018 -6.359 1.00 0.51 H new ATOM 0 HA ALA A 27 -11.601 -0.029 -3.779 1.00 0.49 H new ATOM 0 HB1 ALA A 27 -10.132 1.817 -4.562 1.00 0.62 H new ATOM 0 HB2 ALA A 27 -9.620 0.256 -5.247 1.00 0.62 H new ATOM 0 HB3 ALA A 27 -10.529 1.412 -6.249 1.00 0.62 H new ATOM 417 N SER A 28 -13.629 1.454 -5.781 1.00 0.38 N ATOM 418 CA SER A 28 -14.729 2.462 -5.834 1.00 0.39 C ATOM 419 C SER A 28 -15.503 2.470 -4.511 1.00 0.32 C ATOM 420 O SER A 28 -15.970 3.500 -4.068 1.00 0.49 O ATOM 421 CB SER A 28 -15.677 2.108 -6.978 1.00 0.36 C ATOM 422 OG SER A 28 -15.830 3.327 -7.692 1.00 1.21 O ATOM 0 H SER A 28 -13.580 0.815 -6.575 1.00 0.38 H new ATOM 0 HA SER A 28 -14.302 3.451 -5.998 1.00 0.39 H new ATOM 0 HB2 SER A 28 -15.262 1.324 -7.612 1.00 0.36 H new ATOM 0 HB3 SER A 28 -16.633 1.742 -6.604 1.00 0.36 H new ATOM 0 HG SER A 28 -16.430 3.187 -8.454 1.00 1.21 H new ATOM 428 N ALA A 29 -15.621 1.318 -3.911 1.00 0.23 N ATOM 429 CA ALA A 29 -16.360 1.239 -2.617 1.00 0.30 C ATOM 430 C ALA A 29 -15.503 1.813 -1.483 1.00 0.44 C ATOM 431 O ALA A 29 -16.003 2.484 -0.602 1.00 0.83 O ATOM 432 CB ALA A 29 -16.690 -0.222 -2.317 1.00 0.29 C ATOM 0 H ALA A 29 -15.243 0.436 -4.255 1.00 0.23 H new ATOM 0 HA ALA A 29 -17.280 1.819 -2.693 1.00 0.30 H new ATOM 0 HB1 ALA A 29 -17.230 -0.286 -1.372 1.00 0.29 H new ATOM 0 HB2 ALA A 29 -17.309 -0.627 -3.117 1.00 0.29 H new ATOM 0 HB3 ALA A 29 -15.766 -0.797 -2.247 1.00 0.29 H new ATOM 438 N ILE A 30 -14.229 1.534 -1.532 1.00 0.15 N ATOM 439 CA ILE A 30 -13.324 2.056 -0.466 1.00 0.25 C ATOM 440 C ILE A 30 -13.146 3.571 -0.623 1.00 0.39 C ATOM 441 O ILE A 30 -12.865 4.056 -1.702 1.00 0.49 O ATOM 442 CB ILE A 30 -11.957 1.367 -0.586 1.00 0.19 C ATOM 443 CG1 ILE A 30 -12.148 -0.166 -0.595 1.00 0.17 C ATOM 444 CG2 ILE A 30 -11.058 1.781 0.593 1.00 0.36 C ATOM 445 CD1 ILE A 30 -12.968 -0.605 0.627 1.00 0.38 C ATOM 0 H ILE A 30 -13.778 0.973 -2.255 1.00 0.15 H new ATOM 0 HA ILE A 30 -13.761 1.849 0.511 1.00 0.25 H new ATOM 0 HB ILE A 30 -11.479 1.672 -1.517 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -12.654 -0.471 -1.511 1.00 0.17 H new ATOM 0 HG13 ILE A 30 -11.177 -0.661 -0.587 1.00 0.17 H new ATOM 0 HG21 ILE A 30 -10.090 1.289 0.502 1.00 0.36 H new ATOM 0 HG22 ILE A 30 -10.918 2.862 0.582 1.00 0.36 H new ATOM 0 HG23 ILE A 30 -11.529 1.486 1.531 1.00 0.36 H new ATOM 0 HD11 ILE A 30 -13.096 -1.687 0.610 1.00 0.38 H new ATOM 0 HD12 ILE A 30 -12.445 -0.316 1.539 1.00 0.38 H new ATOM 0 HD13 ILE A 30 -13.946 -0.124 0.601 1.00 0.38 H new ATOM 457 N LYS A 31 -13.312 4.284 0.457 1.00 0.49 N ATOM 458 CA LYS A 31 -13.155 5.767 0.386 1.00 0.61 C ATOM 459 C LYS A 31 -11.700 6.158 0.662 1.00 0.50 C ATOM 460 O LYS A 31 -11.166 5.873 1.716 1.00 0.52 O ATOM 461 CB LYS A 31 -14.064 6.416 1.429 1.00 0.85 C ATOM 462 CG LYS A 31 -14.118 5.524 2.671 1.00 0.79 C ATOM 463 CD LYS A 31 -14.755 6.304 3.822 1.00 1.04 C ATOM 464 CE LYS A 31 -14.805 5.413 5.064 1.00 2.41 C ATOM 465 NZ LYS A 31 -15.739 4.272 4.851 1.00 2.83 N ATOM 0 H LYS A 31 -13.547 3.911 1.377 1.00 0.49 H new ATOM 0 HA LYS A 31 -13.429 6.110 -0.612 1.00 0.61 H new ATOM 0 HB2 LYS A 31 -13.688 7.405 1.692 1.00 0.85 H new ATOM 0 HB3 LYS A 31 -15.065 6.554 1.021 1.00 0.85 H new ATOM 0 HG2 LYS A 31 -14.696 4.624 2.462 1.00 0.79 H new ATOM 0 HG3 LYS A 31 -13.114 5.202 2.946 1.00 0.79 H new ATOM 0 HD2 LYS A 31 -14.179 7.206 4.029 1.00 1.04 H new ATOM 0 HD3 LYS A 31 -15.760 6.624 3.548 1.00 1.04 H new ATOM 0 HE2 LYS A 31 -13.807 5.037 5.289 1.00 2.41 H new ATOM 0 HE3 LYS A 31 -15.127 5.998 5.926 1.00 2.41 H new ATOM 0 HZ1 LYS A 31 -15.999 3.860 5.770 1.00 2.83 H new ATOM 0 HZ2 LYS A 31 -16.596 4.610 4.369 1.00 2.83 H new ATOM 0 HZ3 LYS A 31 -15.275 3.548 4.265 1.00 2.83 H new ATOM 479 N GLY A 32 -11.089 6.806 -0.292 1.00 0.64 N ATOM 480 CA GLY A 32 -9.671 7.223 -0.102 1.00 0.53 C ATOM 481 C GLY A 32 -9.600 8.520 0.707 1.00 0.53 C ATOM 482 O GLY A 32 -9.476 9.594 0.154 1.00 0.99 O ATOM 0 H GLY A 32 -11.506 7.063 -1.187 1.00 0.64 H new ATOM 0 HA2 GLY A 32 -9.120 6.436 0.412 1.00 0.53 H new ATOM 0 HA3 GLY A 32 -9.194 7.365 -1.072 1.00 0.53 H new ATOM 486 N THR A 33 -9.681 8.391 2.003 1.00 0.51 N ATOM 487 CA THR A 33 -9.621 9.609 2.865 1.00 0.56 C ATOM 488 C THR A 33 -8.198 10.177 2.880 1.00 0.50 C ATOM 489 O THR A 33 -7.911 11.122 3.588 1.00 0.66 O ATOM 490 CB THR A 33 -10.036 9.234 4.291 1.00 0.60 C ATOM 491 OG1 THR A 33 -8.999 8.374 4.756 1.00 0.40 O ATOM 492 CG2 THR A 33 -11.302 8.382 4.300 1.00 0.63 C ATOM 0 H THR A 33 -9.785 7.506 2.500 1.00 0.51 H new ATOM 0 HA THR A 33 -10.298 10.365 2.467 1.00 0.56 H new ATOM 0 HB THR A 33 -10.202 10.136 4.880 1.00 0.60 H new ATOM 0 HG1 THR A 33 -9.196 8.091 5.673 1.00 0.40 H new ATOM 0 HG21 THR A 33 -11.567 8.135 5.328 1.00 0.63 H new ATOM 0 HG22 THR A 33 -12.118 8.938 3.839 1.00 0.63 H new ATOM 0 HG23 THR A 33 -11.127 7.464 3.740 1.00 0.63 H new ATOM 500 N GLY A 34 -7.337 9.588 2.097 1.00 0.61 N ATOM 501 CA GLY A 34 -5.931 10.080 2.052 1.00 0.56 C ATOM 502 C GLY A 34 -5.879 11.493 1.467 1.00 1.09 C ATOM 503 O GLY A 34 -6.840 11.966 0.894 1.00 1.78 O ATOM 0 H GLY A 34 -7.543 8.794 1.491 1.00 0.61 H new ATOM 0 HA2 GLY A 34 -5.506 10.079 3.056 1.00 0.56 H new ATOM 0 HA3 GLY A 34 -5.323 9.407 1.448 1.00 0.56 H new ATOM 507 N VAL A 35 -4.756 12.139 1.627 1.00 0.81 N ATOM 508 CA VAL A 35 -4.624 13.524 1.086 1.00 1.35 C ATOM 509 C VAL A 35 -4.988 13.546 -0.402 1.00 1.82 C ATOM 510 O VAL A 35 -4.747 12.593 -1.117 1.00 2.73 O ATOM 511 CB VAL A 35 -3.183 13.995 1.265 1.00 1.10 C ATOM 512 CG1 VAL A 35 -3.041 15.409 0.697 1.00 1.71 C ATOM 513 CG2 VAL A 35 -2.842 14.016 2.756 1.00 1.05 C ATOM 0 H VAL A 35 -3.932 11.773 2.104 1.00 0.81 H new ATOM 0 HA VAL A 35 -5.301 14.187 1.625 1.00 1.35 H new ATOM 0 HB VAL A 35 -2.507 13.318 0.742 1.00 1.10 H new ATOM 0 HG11 VAL A 35 -2.013 15.750 0.822 1.00 1.71 H new ATOM 0 HG12 VAL A 35 -3.294 15.402 -0.363 1.00 1.71 H new ATOM 0 HG13 VAL A 35 -3.714 16.083 1.227 1.00 1.71 H new ATOM 0 HG21 VAL A 35 -1.814 14.352 2.889 1.00 1.05 H new ATOM 0 HG22 VAL A 35 -3.516 14.698 3.274 1.00 1.05 H new ATOM 0 HG23 VAL A 35 -2.953 13.013 3.169 1.00 1.05 H new ATOM 523 N GLY A 36 -5.561 14.635 -0.836 1.00 1.75 N ATOM 524 CA GLY A 36 -5.946 14.738 -2.272 1.00 2.17 C ATOM 525 C GLY A 36 -7.031 13.711 -2.604 1.00 1.87 C ATOM 526 O GLY A 36 -7.495 13.635 -3.725 1.00 2.22 O ATOM 0 H GLY A 36 -5.778 15.451 -0.264 1.00 1.75 H new ATOM 0 HA2 GLY A 36 -6.308 15.743 -2.488 1.00 2.17 H new ATOM 0 HA3 GLY A 36 -5.073 14.572 -2.903 1.00 2.17 H new ATOM 530 N GLY A 37 -7.415 12.943 -1.621 1.00 1.26 N ATOM 531 CA GLY A 37 -8.468 11.917 -1.862 1.00 0.95 C ATOM 532 C GLY A 37 -7.861 10.674 -2.518 1.00 0.90 C ATOM 533 O GLY A 37 -8.570 9.780 -2.934 1.00 0.90 O ATOM 0 H GLY A 37 -7.049 12.981 -0.670 1.00 1.26 H new ATOM 0 HA2 GLY A 37 -8.941 11.644 -0.919 1.00 0.95 H new ATOM 0 HA3 GLY A 37 -9.248 12.330 -2.502 1.00 0.95 H new ATOM 537 N ARG A 38 -6.559 10.646 -2.594 1.00 1.20 N ATOM 538 CA ARG A 38 -5.887 9.468 -3.219 1.00 1.15 C ATOM 539 C ARG A 38 -6.168 8.203 -2.402 1.00 0.95 C ATOM 540 O ARG A 38 -6.627 8.275 -1.279 1.00 1.09 O ATOM 541 CB ARG A 38 -4.380 9.721 -3.269 1.00 1.27 C ATOM 542 CG ARG A 38 -3.780 8.958 -4.453 1.00 2.46 C ATOM 543 CD ARG A 38 -2.267 9.191 -4.487 1.00 2.61 C ATOM 544 NE ARG A 38 -1.619 8.059 -5.207 1.00 3.79 N ATOM 545 CZ ARG A 38 -0.930 7.181 -4.532 1.00 4.41 C ATOM 546 NH1 ARG A 38 -0.107 7.600 -3.609 1.00 4.13 N ATOM 547 NH2 ARG A 38 -1.086 5.914 -4.800 1.00 5.73 N ATOM 0 H ARG A 38 -5.935 11.378 -2.255 1.00 1.20 H new ATOM 0 HA ARG A 38 -6.274 9.327 -4.228 1.00 1.15 H new ATOM 0 HB2 ARG A 38 -4.182 10.788 -3.370 1.00 1.27 H new ATOM 0 HB3 ARG A 38 -3.914 9.397 -2.338 1.00 1.27 H new ATOM 0 HG2 ARG A 38 -3.994 7.893 -4.361 1.00 2.46 H new ATOM 0 HG3 ARG A 38 -4.233 9.295 -5.385 1.00 2.46 H new ATOM 0 HD2 ARG A 38 -2.042 10.133 -4.987 1.00 2.61 H new ATOM 0 HD3 ARG A 38 -1.875 9.266 -3.473 1.00 2.61 H new ATOM 0 HE ARG A 38 -1.713 7.971 -6.219 1.00 3.79 H new ATOM 0 HH11 ARG A 38 -0.011 8.599 -3.426 1.00 4.13 H new ATOM 0 HH12 ARG A 38 0.440 6.928 -3.071 1.00 4.13 H new ATOM 0 HH21 ARG A 38 -1.739 5.623 -5.528 1.00 5.73 H new ATOM 0 HH22 ARG A 38 -0.555 5.214 -4.282 1.00 5.73 H new ATOM 561 N LEU A 39 -5.887 7.070 -2.985 1.00 0.85 N ATOM 562 CA LEU A 39 -6.131 5.790 -2.257 1.00 0.62 C ATOM 563 C LEU A 39 -4.876 5.373 -1.482 1.00 0.32 C ATOM 564 O LEU A 39 -3.813 5.224 -2.050 1.00 0.43 O ATOM 565 CB LEU A 39 -6.490 4.702 -3.270 1.00 0.77 C ATOM 566 CG LEU A 39 -7.082 3.500 -2.529 1.00 0.41 C ATOM 567 CD1 LEU A 39 -8.599 3.671 -2.424 1.00 1.17 C ATOM 568 CD2 LEU A 39 -6.772 2.224 -3.314 1.00 0.99 C ATOM 0 H LEU A 39 -5.503 6.974 -3.925 1.00 0.85 H new ATOM 0 HA LEU A 39 -6.950 5.928 -1.551 1.00 0.62 H new ATOM 0 HB2 LEU A 39 -7.207 5.086 -3.996 1.00 0.77 H new ATOM 0 HB3 LEU A 39 -5.603 4.400 -3.827 1.00 0.77 H new ATOM 0 HG LEU A 39 -6.650 3.433 -1.531 1.00 0.41 H new ATOM 0 HD11 LEU A 39 -9.026 2.818 -1.897 1.00 1.17 H new ATOM 0 HD12 LEU A 39 -8.825 4.586 -1.876 1.00 1.17 H new ATOM 0 HD13 LEU A 39 -9.028 3.732 -3.424 1.00 1.17 H new ATOM 0 HD21 LEU A 39 -7.191 1.364 -2.791 1.00 0.99 H new ATOM 0 HD22 LEU A 39 -7.211 2.293 -4.309 1.00 0.99 H new ATOM 0 HD23 LEU A 39 -5.692 2.104 -3.402 1.00 0.99 H new ATOM 580 N THR A 40 -5.029 5.195 -0.197 1.00 0.19 N ATOM 581 CA THR A 40 -3.853 4.790 0.629 1.00 0.32 C ATOM 582 C THR A 40 -3.832 3.267 0.807 1.00 0.19 C ATOM 583 O THR A 40 -4.587 2.556 0.173 1.00 0.09 O ATOM 584 CB THR A 40 -3.949 5.464 2.000 1.00 0.70 C ATOM 585 OG1 THR A 40 -5.345 5.551 2.266 1.00 1.28 O ATOM 586 CG2 THR A 40 -3.457 6.908 1.949 1.00 0.33 C ATOM 0 H THR A 40 -5.905 5.310 0.312 1.00 0.19 H new ATOM 0 HA THR A 40 -2.936 5.099 0.127 1.00 0.32 H new ATOM 0 HB THR A 40 -3.363 4.906 2.730 1.00 0.70 H new ATOM 0 HG1 THR A 40 -5.564 5.002 3.048 1.00 1.28 H new ATOM 0 HG21 THR A 40 -3.539 7.356 2.939 1.00 0.33 H new ATOM 0 HG22 THR A 40 -2.416 6.926 1.628 1.00 0.33 H new ATOM 0 HG23 THR A 40 -4.064 7.475 1.243 1.00 0.33 H new ATOM 594 N ARG A 41 -2.966 2.801 1.668 1.00 0.37 N ATOM 595 CA ARG A 41 -2.875 1.328 1.899 1.00 0.28 C ATOM 596 C ARG A 41 -3.631 0.937 3.175 1.00 0.27 C ATOM 597 O ARG A 41 -4.125 -0.167 3.292 1.00 0.22 O ATOM 598 CB ARG A 41 -1.404 0.936 2.041 1.00 0.40 C ATOM 599 CG ARG A 41 -1.295 -0.590 2.102 1.00 0.42 C ATOM 600 CD ARG A 41 0.177 -0.981 2.242 1.00 0.55 C ATOM 601 NE ARG A 41 0.259 -2.340 2.848 1.00 0.82 N ATOM 602 CZ ARG A 41 1.182 -2.590 3.737 1.00 1.15 C ATOM 603 NH1 ARG A 41 1.401 -1.715 4.681 1.00 1.97 N ATOM 604 NH2 ARG A 41 1.853 -3.705 3.652 1.00 1.59 N ATOM 0 H ARG A 41 -2.322 3.371 2.217 1.00 0.37 H new ATOM 0 HA ARG A 41 -3.323 0.807 1.053 1.00 0.28 H new ATOM 0 HB2 ARG A 41 -0.830 1.320 1.198 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -0.982 1.379 2.943 1.00 0.40 H new ATOM 0 HG2 ARG A 41 -1.868 -0.975 2.946 1.00 0.42 H new ATOM 0 HG3 ARG A 41 -1.718 -1.034 1.201 1.00 0.42 H new ATOM 0 HD2 ARG A 41 0.664 -0.973 1.267 1.00 0.55 H new ATOM 0 HD3 ARG A 41 0.702 -0.258 2.866 1.00 0.55 H new ATOM 0 HE ARG A 41 -0.400 -3.068 2.571 1.00 0.82 H new ATOM 0 HH11 ARG A 41 0.855 -0.854 4.715 1.00 1.97 H new ATOM 0 HH12 ARG A 41 2.118 -1.892 5.385 1.00 1.97 H new ATOM 0 HH21 ARG A 41 1.653 -4.365 2.900 1.00 1.59 H new ATOM 0 HH22 ARG A 41 2.578 -3.918 4.337 1.00 1.59 H new ATOM 618 N GLU A 42 -3.708 1.851 4.103 1.00 0.38 N ATOM 619 CA GLU A 42 -4.426 1.543 5.372 1.00 0.44 C ATOM 620 C GLU A 42 -5.938 1.523 5.129 1.00 0.42 C ATOM 621 O GLU A 42 -6.707 1.218 6.019 1.00 0.61 O ATOM 622 CB GLU A 42 -4.094 2.606 6.425 1.00 0.62 C ATOM 623 CG GLU A 42 -3.504 3.850 5.750 1.00 1.65 C ATOM 624 CD GLU A 42 -2.051 3.575 5.357 1.00 2.03 C ATOM 625 OE1 GLU A 42 -1.343 3.075 6.216 1.00 1.61 O ATOM 626 OE2 GLU A 42 -1.731 3.880 4.220 1.00 3.36 O ATOM 0 H GLU A 42 -3.310 2.788 4.039 1.00 0.38 H new ATOM 0 HA GLU A 42 -4.107 0.564 5.729 1.00 0.44 H new ATOM 0 HB2 GLU A 42 -4.994 2.875 6.978 1.00 0.62 H new ATOM 0 HB3 GLU A 42 -3.384 2.204 7.148 1.00 0.62 H new ATOM 0 HG2 GLU A 42 -4.088 4.110 4.867 1.00 1.65 H new ATOM 0 HG3 GLU A 42 -3.554 4.703 6.427 1.00 1.65 H new ATOM 633 N ASP A 43 -6.329 1.846 3.926 1.00 0.24 N ATOM 634 CA ASP A 43 -7.786 1.852 3.604 1.00 0.23 C ATOM 635 C ASP A 43 -8.180 0.547 2.901 1.00 0.21 C ATOM 636 O ASP A 43 -9.302 0.097 3.007 1.00 0.49 O ATOM 637 CB ASP A 43 -8.089 3.035 2.687 1.00 0.19 C ATOM 638 CG ASP A 43 -8.187 4.312 3.526 1.00 0.47 C ATOM 639 OD1 ASP A 43 -9.289 4.579 3.976 1.00 1.42 O ATOM 640 OD2 ASP A 43 -7.155 4.946 3.670 1.00 0.38 O ATOM 0 H ASP A 43 -5.709 2.104 3.158 1.00 0.24 H new ATOM 0 HA ASP A 43 -8.357 1.940 4.528 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -7.305 3.138 1.936 1.00 0.19 H new ATOM 0 HB3 ASP A 43 -9.023 2.865 2.151 1.00 0.19 H new ATOM 645 N VAL A 44 -7.244 -0.032 2.198 1.00 0.13 N ATOM 646 CA VAL A 44 -7.547 -1.307 1.485 1.00 0.22 C ATOM 647 C VAL A 44 -7.129 -2.507 2.342 1.00 0.31 C ATOM 648 O VAL A 44 -7.934 -3.361 2.655 1.00 0.23 O ATOM 649 CB VAL A 44 -6.784 -1.335 0.161 1.00 0.26 C ATOM 650 CG1 VAL A 44 -7.026 -2.678 -0.532 1.00 0.52 C ATOM 651 CG2 VAL A 44 -7.293 -0.206 -0.737 1.00 0.12 C ATOM 0 H VAL A 44 -6.292 0.318 2.087 1.00 0.13 H new ATOM 0 HA VAL A 44 -8.619 -1.366 1.297 1.00 0.22 H new ATOM 0 HB VAL A 44 -5.718 -1.205 0.348 1.00 0.26 H new ATOM 0 HG11 VAL A 44 -6.484 -2.703 -1.477 1.00 0.52 H new ATOM 0 HG12 VAL A 44 -6.675 -3.487 0.109 1.00 0.52 H new ATOM 0 HG13 VAL A 44 -8.092 -2.802 -0.722 1.00 0.52 H new ATOM 0 HG21 VAL A 44 -6.752 -0.221 -1.683 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -8.358 -0.343 -0.926 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -7.133 0.752 -0.243 1.00 0.12 H new ATOM 661 N GLU A 45 -5.875 -2.543 2.705 1.00 0.86 N ATOM 662 CA GLU A 45 -5.387 -3.679 3.542 1.00 1.00 C ATOM 663 C GLU A 45 -6.332 -3.908 4.727 1.00 0.93 C ATOM 664 O GLU A 45 -6.765 -5.016 4.974 1.00 0.76 O ATOM 665 CB GLU A 45 -3.989 -3.351 4.063 1.00 1.41 C ATOM 666 CG GLU A 45 -3.281 -4.650 4.454 1.00 1.85 C ATOM 667 CD GLU A 45 -1.981 -4.317 5.189 1.00 2.11 C ATOM 668 OE1 GLU A 45 -1.542 -3.190 5.029 1.00 2.33 O ATOM 669 OE2 GLU A 45 -1.501 -5.209 5.870 1.00 2.56 O ATOM 0 H GLU A 45 -5.173 -1.844 2.462 1.00 0.86 H new ATOM 0 HA GLU A 45 -5.356 -4.584 2.936 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -3.416 -2.827 3.298 1.00 1.41 H new ATOM 0 HB3 GLU A 45 -4.055 -2.685 4.924 1.00 1.41 H new ATOM 0 HG2 GLU A 45 -3.928 -5.253 5.091 1.00 1.85 H new ATOM 0 HG3 GLU A 45 -3.068 -5.243 3.565 1.00 1.85 H new ATOM 676 N LYS A 46 -6.633 -2.852 5.433 1.00 1.17 N ATOM 677 CA LYS A 46 -7.548 -2.989 6.604 1.00 1.33 C ATOM 678 C LYS A 46 -8.874 -3.621 6.170 1.00 1.22 C ATOM 679 O LYS A 46 -9.566 -4.226 6.963 1.00 1.66 O ATOM 680 CB LYS A 46 -7.814 -1.605 7.196 1.00 1.50 C ATOM 681 CG LYS A 46 -8.118 -1.748 8.688 1.00 1.22 C ATOM 682 CD LYS A 46 -6.805 -1.714 9.472 1.00 2.90 C ATOM 683 CE LYS A 46 -6.994 -2.446 10.803 1.00 3.46 C ATOM 684 NZ LYS A 46 -8.394 -2.289 11.289 1.00 2.54 N ATOM 0 H LYS A 46 -6.289 -1.909 5.253 1.00 1.17 H new ATOM 0 HA LYS A 46 -7.080 -3.630 7.351 1.00 1.33 H new ATOM 0 HB2 LYS A 46 -6.947 -0.960 7.049 1.00 1.50 H new ATOM 0 HB3 LYS A 46 -8.653 -1.133 6.685 1.00 1.50 H new ATOM 0 HG2 LYS A 46 -8.773 -0.942 9.017 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -8.644 -2.684 8.876 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -6.010 -2.185 8.894 1.00 2.90 H new ATOM 0 HD3 LYS A 46 -6.501 -0.683 9.651 1.00 2.90 H new ATOM 0 HE2 LYS A 46 -6.762 -3.504 10.680 1.00 3.46 H new ATOM 0 HE3 LYS A 46 -6.299 -2.051 11.544 1.00 3.46 H new ATOM 0 HZ1 LYS A 46 -8.425 -2.448 12.316 1.00 2.54 H new ATOM 0 HZ2 LYS A 46 -8.729 -1.328 11.077 1.00 2.54 H new ATOM 0 HZ3 LYS A 46 -9.006 -2.982 10.813 1.00 2.54 H new ATOM 698 N HIS A 47 -9.199 -3.467 4.915 1.00 0.83 N ATOM 699 CA HIS A 47 -10.476 -4.053 4.412 1.00 0.84 C ATOM 700 C HIS A 47 -10.389 -5.582 4.398 1.00 0.94 C ATOM 701 O HIS A 47 -11.375 -6.266 4.585 1.00 1.24 O ATOM 702 CB HIS A 47 -10.734 -3.545 2.994 1.00 0.57 C ATOM 703 CG HIS A 47 -12.218 -3.709 2.659 1.00 0.75 C ATOM 704 ND1 HIS A 47 -13.155 -3.108 3.235 1.00 1.01 N ATOM 705 CD2 HIS A 47 -12.825 -4.507 1.707 1.00 0.79 C ATOM 706 CE1 HIS A 47 -14.282 -3.439 2.750 1.00 1.17 C ATOM 707 NE2 HIS A 47 -14.169 -4.329 1.768 1.00 1.08 N ATOM 0 H HIS A 47 -8.643 -2.966 4.222 1.00 0.83 H new ATOM 0 HA HIS A 47 -11.292 -3.753 5.070 1.00 0.84 H new ATOM 0 HB2 HIS A 47 -10.445 -2.497 2.913 1.00 0.57 H new ATOM 0 HB3 HIS A 47 -10.125 -4.100 2.280 1.00 0.57 H new ATOM 0 HD2 HIS A 47 -12.311 -5.167 1.024 1.00 0.79 H new ATOM 0 HE1 HIS A 47 -15.225 -3.042 3.096 1.00 1.17 H new ATOM 0 HE2 HIS A 47 -14.901 -4.764 1.207 1.00 1.08 H new ATOM 715 N LEU A 48 -9.205 -6.086 4.178 1.00 0.80 N ATOM 716 CA LEU A 48 -9.034 -7.569 4.148 1.00 1.02 C ATOM 717 C LEU A 48 -8.755 -8.099 5.558 1.00 1.45 C ATOM 718 O LEU A 48 -7.640 -8.456 5.880 1.00 2.17 O ATOM 719 CB LEU A 48 -7.863 -7.919 3.232 1.00 0.55 C ATOM 720 CG LEU A 48 -8.294 -7.738 1.775 1.00 1.07 C ATOM 721 CD1 LEU A 48 -7.082 -7.327 0.937 1.00 1.21 C ATOM 722 CD2 LEU A 48 -8.846 -9.062 1.244 1.00 1.59 C ATOM 0 H LEU A 48 -8.356 -5.543 4.019 1.00 0.80 H new ATOM 0 HA LEU A 48 -9.949 -8.028 3.774 1.00 1.02 H new ATOM 0 HB2 LEU A 48 -7.009 -7.279 3.453 1.00 0.55 H new ATOM 0 HB3 LEU A 48 -7.545 -8.947 3.405 1.00 0.55 H new ATOM 0 HG LEU A 48 -9.062 -6.967 1.713 1.00 1.07 H new ATOM 0 HD11 LEU A 48 -7.385 -7.197 -0.102 1.00 1.21 H new ATOM 0 HD12 LEU A 48 -6.678 -6.389 1.317 1.00 1.21 H new ATOM 0 HD13 LEU A 48 -6.318 -8.102 0.998 1.00 1.21 H new ATOM 0 HD21 LEU A 48 -9.154 -8.937 0.206 1.00 1.59 H new ATOM 0 HD22 LEU A 48 -8.073 -9.828 1.304 1.00 1.59 H new ATOM 0 HD23 LEU A 48 -9.704 -9.365 1.844 1.00 1.59 H new ATOM 734 N ALA A 49 -9.777 -8.138 6.369 1.00 1.74 N ATOM 735 CA ALA A 49 -9.589 -8.642 7.762 1.00 2.09 C ATOM 736 C ALA A 49 -9.150 -10.109 7.737 1.00 1.69 C ATOM 737 O ALA A 49 -9.932 -10.989 7.439 1.00 1.98 O ATOM 738 CB ALA A 49 -10.909 -8.517 8.520 1.00 2.80 C ATOM 0 H ALA A 49 -10.725 -7.846 6.132 1.00 1.74 H new ATOM 0 HA ALA A 49 -8.818 -8.052 8.258 1.00 2.09 H new ATOM 0 HB1 ALA A 49 -10.780 -8.883 9.538 1.00 2.80 H new ATOM 0 HB2 ALA A 49 -11.216 -7.471 8.547 1.00 2.80 H new ATOM 0 HB3 ALA A 49 -11.675 -9.107 8.017 1.00 2.80 H new ATOM 744 N LYS A 50 -7.905 -10.340 8.054 1.00 2.29 N ATOM 745 CA LYS A 50 -7.398 -11.744 8.054 1.00 2.78 C ATOM 746 C LYS A 50 -6.260 -11.894 9.069 1.00 4.15 C ATOM 747 O LYS A 50 -5.224 -12.454 8.766 1.00 5.22 O ATOM 748 CB LYS A 50 -6.884 -12.089 6.657 1.00 3.37 C ATOM 749 CG LYS A 50 -5.884 -11.021 6.212 1.00 4.25 C ATOM 750 CD LYS A 50 -4.575 -11.699 5.800 1.00 5.69 C ATOM 751 CE LYS A 50 -3.585 -10.633 5.326 1.00 6.76 C ATOM 752 NZ LYS A 50 -3.877 -10.238 3.919 1.00 7.39 N ATOM 0 H LYS A 50 -7.223 -9.627 8.311 1.00 2.29 H new ATOM 0 HA LYS A 50 -8.208 -12.420 8.330 1.00 2.78 H new ATOM 0 HB2 LYS A 50 -6.408 -13.070 6.663 1.00 3.37 H new ATOM 0 HB3 LYS A 50 -7.715 -12.142 5.953 1.00 3.37 H new ATOM 0 HG2 LYS A 50 -6.291 -10.450 5.377 1.00 4.25 H new ATOM 0 HG3 LYS A 50 -5.703 -10.315 7.022 1.00 4.25 H new ATOM 0 HD2 LYS A 50 -4.157 -12.252 6.641 1.00 5.69 H new ATOM 0 HD3 LYS A 50 -4.760 -12.421 5.004 1.00 5.69 H new ATOM 0 HE2 LYS A 50 -3.644 -9.759 5.975 1.00 6.76 H new ATOM 0 HE3 LYS A 50 -2.567 -11.016 5.399 1.00 6.76 H new ATOM 0 HZ1 LYS A 50 -3.196 -9.514 3.613 1.00 7.39 H new ATOM 0 HZ2 LYS A 50 -3.798 -11.071 3.301 1.00 7.39 H new ATOM 0 HZ3 LYS A 50 -4.841 -9.853 3.859 1.00 7.39 H new ATOM 766 N ALA A 51 -6.477 -11.391 10.254 1.00 4.36 N ATOM 767 CA ALA A 51 -5.419 -11.497 11.299 1.00 5.76 C ATOM 768 C ALA A 51 -6.036 -11.343 12.694 1.00 6.05 C ATOM 769 O ALA A 51 -6.639 -10.305 12.908 1.00 5.77 O ATOM 770 CB ALA A 51 -4.383 -10.395 11.077 1.00 6.57 C ATOM 771 OXT ALA A 51 -5.869 -12.274 13.465 1.00 6.80 O ATOM 0 H ALA A 51 -7.332 -10.916 10.542 1.00 4.36 H new ATOM 0 HA ALA A 51 -4.943 -12.475 11.229 1.00 5.76 H new ATOM 0 HB1 ALA A 51 -3.606 -10.467 11.838 1.00 6.57 H new ATOM 0 HB2 ALA A 51 -3.935 -10.510 10.090 1.00 6.57 H new ATOM 0 HB3 ALA A 51 -4.868 -9.421 11.144 1.00 6.57 H new TER 777 ALA A 51