USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 461 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 ASP N :NH3+ -125:sc=-0.00409 (180deg=-0.037) USER MOD Single : A 4 ASN : amide:sc= -1.98! C(o=-2!,f=-6.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0316) USER MOD Single : A 10 GLN : amide:sc= -1.55! C(o=-1.5!,f=-1.6!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0444 F(o=-1.9,f=-0.044) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -3.9 K(o=-3.9,f=-6.2!) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.19! C(o=-7.2!,f=-1.2!) USER MOD Single : A 27 GLN : amide:sc= -0.723 K(o=-0.72,f=-2.2) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.809 F(o=-2.7!,f=-0.81) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 SER OG : rot -38:sc= 1.14 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 SER OG : rot -95:sc=-0.00199 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.413 F(o=-1.8,f=-0.41) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0193 (180deg=-0.392) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.378 F(o=-3.1!,f=-0.38) USER MOD Single : A 56 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 3.136 10.349 83.916 1.00 4.00 N ATOM 2 CA ASP A 1 2.473 11.515 83.262 1.00 0.02 C ATOM 3 C ASP A 1 2.414 11.282 81.753 1.00 22.23 C ATOM 4 O ASP A 1 2.934 12.074 80.969 1.00 11.23 O ATOM 5 CB ASP A 1 3.265 12.787 83.570 1.00 4.31 C ATOM 6 CG ASP A 1 3.177 13.110 85.060 1.00 21.31 C ATOM 7 OD1 ASP A 1 2.349 12.513 85.729 1.00 62.33 O ATOM 8 OD2 ASP A 1 3.940 13.949 85.510 1.00 55.03 O ATOM 0 H1 ASP A 1 2.512 9.964 84.653 1.00 4.00 H new ATOM 0 H2 ASP A 1 3.327 9.614 83.205 1.00 4.00 H new ATOM 0 H3 ASP A 1 4.032 10.655 84.346 1.00 4.00 H new ATOM 0 HA ASP A 1 1.458 11.627 83.644 1.00 0.02 H new ATOM 0 HB2 ASP A 1 4.307 12.656 83.279 1.00 4.31 H new ATOM 0 HB3 ASP A 1 2.873 13.619 82.985 1.00 4.31 H new ATOM 15 N VAL A 2 1.769 10.184 81.364 1.00 72.12 N ATOM 16 CA VAL A 2 1.617 9.813 79.951 1.00 65.50 C ATOM 17 C VAL A 2 0.148 9.532 79.662 1.00 40.21 C ATOM 18 O VAL A 2 -0.623 9.275 80.585 1.00 54.31 O ATOM 19 CB VAL A 2 2.453 8.569 79.648 1.00 42.24 C ATOM 20 CG1 VAL A 2 3.916 8.839 80.002 1.00 71.33 C ATOM 21 CG2 VAL A 2 1.935 7.395 80.485 1.00 32.35 C ATOM 0 H VAL A 2 1.337 9.526 82.013 1.00 72.12 H new ATOM 0 HA VAL A 2 1.962 10.632 79.320 1.00 65.50 H new ATOM 0 HB VAL A 2 2.375 8.326 78.588 1.00 42.24 H new ATOM 0 HG11 VAL A 2 4.512 7.952 79.786 1.00 71.33 H new ATOM 0 HG12 VAL A 2 4.285 9.677 79.411 1.00 71.33 H new ATOM 0 HG13 VAL A 2 3.995 9.080 81.062 1.00 71.33 H new ATOM 0 HG21 VAL A 2 2.529 6.506 80.272 1.00 32.35 H new ATOM 0 HG22 VAL A 2 2.016 7.640 81.544 1.00 32.35 H new ATOM 0 HG23 VAL A 2 0.891 7.203 80.236 1.00 32.35 H new ATOM 31 N ASP A 3 -0.255 9.593 78.392 1.00 64.54 N ATOM 32 CA ASP A 3 -1.658 9.351 78.064 1.00 51.40 C ATOM 33 C ASP A 3 -1.937 7.856 77.998 1.00 55.22 C ATOM 34 O ASP A 3 -1.414 7.129 77.153 1.00 31.52 O ATOM 35 CB ASP A 3 -1.995 9.998 76.726 1.00 2.12 C ATOM 36 CG ASP A 3 -3.485 9.866 76.434 1.00 2.21 C ATOM 37 OD1 ASP A 3 -4.198 9.392 77.299 1.00 31.33 O ATOM 38 OD2 ASP A 3 -3.890 10.244 75.346 1.00 53.33 O ATOM 0 H ASP A 3 0.349 9.801 77.597 1.00 64.54 H new ATOM 0 HA ASP A 3 -2.280 9.790 78.844 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -1.713 11.051 76.742 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -1.419 9.526 75.931 1.00 2.12 H new ATOM 43 N ASN A 4 -2.767 7.432 78.933 1.00 21.22 N ATOM 44 CA ASN A 4 -3.176 6.043 79.089 1.00 74.53 C ATOM 45 C ASN A 4 -4.444 5.699 78.312 1.00 2.31 C ATOM 46 O ASN A 4 -5.018 4.630 78.521 1.00 73.04 O ATOM 47 CB ASN A 4 -3.382 5.795 80.579 1.00 35.42 C ATOM 48 CG ASN A 4 -4.565 6.618 81.072 1.00 15.25 C ATOM 49 OD1 ASN A 4 -5.599 6.698 80.408 1.00 73.42 O ATOM 50 ND2 ASN A 4 -4.442 7.305 82.169 1.00 41.51 N ATOM 0 H ASN A 4 -3.187 8.056 79.622 1.00 21.22 H new ATOM 0 HA ASN A 4 -2.397 5.400 78.678 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -3.562 4.735 80.761 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -2.482 6.065 81.131 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -5.202 7.910 82.480 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -3.586 7.239 82.719 1.00 41.51 H new ATOM 57 N LYS A 5 -4.924 6.601 77.456 1.00 24.34 N ATOM 58 CA LYS A 5 -6.169 6.321 76.740 1.00 63.52 C ATOM 59 C LYS A 5 -5.928 5.452 75.511 1.00 65.42 C ATOM 60 O LYS A 5 -5.029 5.701 74.706 1.00 22.02 O ATOM 61 CB LYS A 5 -6.804 7.641 76.299 1.00 32.14 C ATOM 62 CG LYS A 5 -7.195 8.460 77.532 1.00 62.41 C ATOM 63 CD LYS A 5 -7.927 9.730 77.091 1.00 65.43 C ATOM 64 CE LYS A 5 -8.202 10.608 78.313 1.00 5.34 C ATOM 65 NZ LYS A 5 -8.780 11.910 77.871 1.00 2.24 N ATOM 0 H LYS A 5 -4.490 7.500 77.246 1.00 24.34 H new ATOM 0 HA LYS A 5 -6.832 5.780 77.416 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -6.104 8.205 75.682 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -7.684 7.446 75.686 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -7.834 7.868 78.187 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -6.305 8.721 78.105 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -7.325 10.276 76.365 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -8.864 9.470 76.598 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -8.892 10.103 78.989 1.00 5.34 H new ATOM 0 HE3 LYS A 5 -7.279 10.777 78.867 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 -8.967 12.507 78.702 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -8.107 12.393 77.242 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -9.670 11.739 77.360 1.00 2.24 H new ATOM 79 N PHE A 6 -6.769 4.426 75.391 1.00 34.42 N ATOM 80 CA PHE A 6 -6.724 3.470 74.284 1.00 65.23 C ATOM 81 C PHE A 6 -8.068 3.419 73.566 1.00 31.13 C ATOM 82 O PHE A 6 -9.104 3.725 74.157 1.00 43.25 O ATOM 83 CB PHE A 6 -6.386 2.075 74.816 1.00 73.01 C ATOM 84 CG PHE A 6 -5.016 2.091 75.449 1.00 30.30 C ATOM 85 CD1 PHE A 6 -3.876 1.906 74.658 1.00 30.30 C ATOM 86 CD2 PHE A 6 -4.886 2.290 76.828 1.00 1.34 C ATOM 87 CE1 PHE A 6 -2.605 1.920 75.246 1.00 32.22 C ATOM 88 CE2 PHE A 6 -3.616 2.305 77.417 1.00 5.13 C ATOM 89 CZ PHE A 6 -2.476 2.120 76.627 1.00 14.35 C ATOM 0 H PHE A 6 -7.509 4.232 76.066 1.00 34.42 H new ATOM 0 HA PHE A 6 -5.956 3.794 73.581 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -7.132 1.764 75.547 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -6.414 1.349 74.004 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -3.977 1.752 73.594 1.00 30.30 H new ATOM 0 HD2 PHE A 6 -5.766 2.432 77.438 1.00 1.34 H new ATOM 0 HE1 PHE A 6 -1.725 1.777 74.636 1.00 32.22 H new ATOM 0 HE2 PHE A 6 -3.516 2.459 78.481 1.00 5.13 H new ATOM 0 HZ PHE A 6 -1.496 2.131 77.082 1.00 14.35 H new ATOM 99 N ASN A 7 -8.061 2.979 72.310 1.00 24.33 N ATOM 100 CA ASN A 7 -9.304 2.833 71.550 1.00 2.44 C ATOM 101 C ASN A 7 -9.678 1.355 71.575 1.00 4.24 C ATOM 102 O ASN A 7 -8.814 0.491 71.414 1.00 63.22 O ATOM 103 CB ASN A 7 -9.108 3.302 70.107 1.00 1.34 C ATOM 104 CG ASN A 7 -8.701 4.772 70.085 1.00 61.41 C ATOM 105 OD1 ASN A 7 -7.782 5.152 69.361 1.00 31.24 O ATOM 106 ND2 ASN A 7 -9.336 5.627 70.841 1.00 44.11 N ATOM 0 H ASN A 7 -7.218 2.719 71.799 1.00 24.33 H new ATOM 0 HA ASN A 7 -10.094 3.441 71.990 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -8.343 2.697 69.621 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -10.030 3.163 69.543 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -9.070 6.612 70.832 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -10.098 5.310 71.441 1.00 44.11 H new ATOM 113 N LYS A 8 -10.946 1.057 71.834 1.00 61.30 N ATOM 114 CA LYS A 8 -11.365 -0.336 71.941 1.00 61.55 C ATOM 115 C LYS A 8 -11.066 -1.125 70.670 1.00 72.40 C ATOM 116 O LYS A 8 -10.681 -2.291 70.744 1.00 42.23 O ATOM 117 CB LYS A 8 -12.864 -0.400 72.238 1.00 32.14 C ATOM 118 CG LYS A 8 -13.141 0.220 73.609 1.00 14.23 C ATOM 119 CD LYS A 8 -14.621 0.053 73.957 1.00 51.30 C ATOM 120 CE LYS A 8 -14.925 0.774 75.271 1.00 52.51 C ATOM 121 NZ LYS A 8 -14.387 -0.023 76.409 1.00 71.20 N ATOM 0 H LYS A 8 -11.688 1.744 71.971 1.00 61.30 H new ATOM 0 HA LYS A 8 -10.798 -0.788 72.754 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -13.421 0.133 71.467 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -13.205 -1.435 72.220 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -12.522 -0.259 74.368 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -12.876 1.277 73.602 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -15.241 0.458 73.157 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -14.867 -1.005 74.046 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -14.478 1.768 75.265 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -16.001 0.909 75.384 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -14.666 0.422 77.307 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -14.769 -0.989 76.368 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -13.349 -0.058 76.348 1.00 71.20 H new ATOM 135 N GLU A 9 -11.221 -0.501 69.508 1.00 72.23 N ATOM 136 CA GLU A 9 -10.930 -1.206 68.265 1.00 15.52 C ATOM 137 C GLU A 9 -9.450 -1.579 68.194 1.00 22.04 C ATOM 138 O GLU A 9 -9.088 -2.630 67.666 1.00 4.12 O ATOM 139 CB GLU A 9 -11.294 -0.325 67.061 1.00 2.22 C ATOM 140 CG GLU A 9 -12.808 -0.078 67.014 1.00 55.14 C ATOM 141 CD GLU A 9 -13.570 -1.392 66.840 1.00 44.44 C ATOM 142 OE1 GLU A 9 -12.959 -2.361 66.422 1.00 40.33 O ATOM 143 OE2 GLU A 9 -14.761 -1.401 67.105 1.00 35.20 O ATOM 0 H GLU A 9 -11.537 0.463 69.400 1.00 72.23 H new ATOM 0 HA GLU A 9 -11.527 -2.118 68.240 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -10.766 0.626 67.126 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -10.969 -0.807 66.139 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -13.129 0.414 67.932 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -13.045 0.596 66.191 1.00 55.14 H new ATOM 150 N GLN A 10 -8.601 -0.700 68.724 1.00 44.42 N ATOM 151 CA GLN A 10 -7.157 -0.933 68.711 1.00 55.14 C ATOM 152 C GLN A 10 -6.761 -2.213 69.437 1.00 44.55 C ATOM 153 O GLN A 10 -5.850 -2.919 69.004 1.00 74.40 O ATOM 154 CB GLN A 10 -6.442 0.254 69.361 1.00 42.31 C ATOM 155 CG GLN A 10 -4.928 0.107 69.188 1.00 54.11 C ATOM 156 CD GLN A 10 -4.218 1.308 69.801 1.00 24.14 C ATOM 157 OE1 GLN A 10 -4.868 2.270 70.212 1.00 71.44 O ATOM 158 NE2 GLN A 10 -2.916 1.312 69.888 1.00 70.02 N ATOM 0 H GLN A 10 -8.885 0.175 69.165 1.00 44.42 H new ATOM 0 HA GLN A 10 -6.859 -1.042 67.668 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -6.780 1.186 68.908 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -6.693 0.305 70.421 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -4.586 -0.811 69.665 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -4.680 0.028 68.130 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -2.380 0.514 69.547 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -2.435 2.113 70.297 1.00 70.02 H new ATOM 167 N GLN A 11 -7.419 -2.497 70.557 1.00 23.31 N ATOM 168 CA GLN A 11 -7.074 -3.686 71.329 1.00 35.21 C ATOM 169 C GLN A 11 -7.254 -4.960 70.521 1.00 31.32 C ATOM 170 O GLN A 11 -6.461 -5.900 70.639 1.00 14.42 O ATOM 171 CB GLN A 11 -7.947 -3.755 72.580 1.00 43.44 C ATOM 172 CG GLN A 11 -7.625 -2.569 73.485 1.00 25.43 C ATOM 173 CD GLN A 11 -8.524 -2.591 74.714 1.00 5.02 C ATOM 174 OE1 GLN A 11 -9.543 -3.282 74.726 1.00 45.33 O ATOM 175 NE2 GLN A 11 -8.209 -1.870 75.755 1.00 62.12 N ATOM 0 H GLN A 11 -8.177 -1.935 70.944 1.00 23.31 H new ATOM 0 HA GLN A 11 -6.022 -3.608 71.603 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -9.001 -3.740 72.303 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -7.770 -4.691 73.110 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -6.579 -2.607 73.789 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -7.765 -1.636 72.939 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -7.364 -1.298 75.743 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -8.807 -1.878 76.581 1.00 62.12 H new ATOM 184 N ASN A 12 -8.290 -4.996 69.694 1.00 13.41 N ATOM 185 CA ASN A 12 -8.530 -6.176 68.886 1.00 72.10 C ATOM 186 C ASN A 12 -7.319 -6.483 68.018 1.00 64.04 C ATOM 187 O ASN A 12 -6.949 -7.640 67.832 1.00 71.12 O ATOM 188 CB ASN A 12 -9.764 -5.970 68.004 1.00 65.50 C ATOM 189 CG ASN A 12 -10.162 -7.282 67.332 1.00 14.44 C ATOM 190 OD1 ASN A 12 -9.615 -8.402 67.721 1.00 30.24 O flip ATOM 191 ND2 ASN A 12 -10.992 -7.284 66.424 1.00 22.34 N flip ATOM 0 H ASN A 12 -8.962 -4.239 69.568 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.706 -7.020 69.553 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.592 -5.597 68.607 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -9.556 -5.214 67.246 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -11.419 -6.408 66.121 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -11.254 -8.161 65.974 1.00 22.34 H new ATOM 198 N ALA A 13 -6.706 -5.428 67.490 1.00 31.21 N ATOM 199 CA ALA A 13 -5.535 -5.582 66.638 1.00 71.52 C ATOM 200 C ALA A 13 -4.356 -6.179 67.384 1.00 24.53 C ATOM 201 O ALA A 13 -3.608 -6.959 66.809 1.00 54.55 O ATOM 202 CB ALA A 13 -5.139 -4.213 66.070 1.00 63.24 C ATOM 0 H ALA A 13 -7.000 -4.462 67.637 1.00 31.21 H new ATOM 0 HA ALA A 13 -5.798 -6.270 65.834 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -4.263 -4.324 65.431 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -5.965 -3.809 65.485 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -4.907 -3.532 66.889 1.00 63.24 H new ATOM 208 N PHE A 14 -4.173 -5.811 68.652 1.00 65.22 N ATOM 209 CA PHE A 14 -3.030 -6.329 69.391 1.00 35.44 C ATOM 210 C PHE A 14 -3.031 -7.850 69.449 1.00 4.41 C ATOM 211 O PHE A 14 -2.020 -8.478 69.147 1.00 71.43 O ATOM 212 CB PHE A 14 -3.050 -5.760 70.811 1.00 55.01 C ATOM 213 CG PHE A 14 -1.808 -6.185 71.559 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.624 -5.449 71.430 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.845 -7.312 72.391 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.522 -5.840 72.130 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.698 -7.701 73.091 1.00 42.42 C ATOM 218 CZ PHE A 14 0.486 -6.965 72.961 1.00 2.31 C ATOM 0 H PHE A 14 -4.780 -5.178 69.172 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.124 -6.021 68.870 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -3.107 -4.672 70.774 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.938 -6.108 71.338 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.596 -4.579 70.790 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.758 -7.880 72.492 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.436 -5.273 72.029 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.726 -8.570 73.732 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.371 -7.266 73.502 1.00 2.31 H new ATOM 228 N TRP A 15 -4.166 -8.453 69.787 1.00 12.23 N ATOM 229 CA TRP A 15 -4.230 -9.910 69.809 1.00 25.15 C ATOM 230 C TRP A 15 -3.976 -10.517 68.438 1.00 25.25 C ATOM 231 O TRP A 15 -3.331 -11.560 68.323 1.00 74.33 O ATOM 232 CB TRP A 15 -5.578 -10.384 70.359 1.00 34.13 C ATOM 233 CG TRP A 15 -5.627 -10.143 71.833 1.00 51.05 C ATOM 234 CD1 TRP A 15 -6.256 -9.116 72.442 1.00 42.54 C ATOM 235 CD2 TRP A 15 -5.045 -10.956 72.891 1.00 12.12 C ATOM 236 NE1 TRP A 15 -6.082 -9.236 73.810 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.346 -10.359 74.136 1.00 34.20 C ATOM 238 CE3 TRP A 15 -4.287 -12.145 72.887 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -4.912 -10.918 75.339 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -3.851 -12.710 74.097 1.00 73.32 C ATOM 241 CH2 TRP A 15 -4.163 -12.097 75.320 1.00 14.45 C ATOM 0 H TRP A 15 -5.029 -7.974 70.042 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.435 -10.254 70.471 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -6.392 -9.852 69.866 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -5.716 -11.444 70.148 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -6.805 -8.330 71.944 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -6.452 -8.576 74.494 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -4.041 -12.623 71.950 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -5.154 -10.442 76.278 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -3.272 -13.622 74.086 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -3.824 -12.537 76.246 1.00 14.45 H new ATOM 252 N GLU A 16 -4.506 -9.880 67.397 1.00 74.21 N ATOM 253 CA GLU A 16 -4.332 -10.409 66.055 1.00 41.10 C ATOM 254 C GLU A 16 -2.878 -10.416 65.607 1.00 51.32 C ATOM 255 O GLU A 16 -2.461 -11.333 64.900 1.00 41.00 O ATOM 256 CB GLU A 16 -5.181 -9.625 65.055 1.00 2.25 C ATOM 257 CG GLU A 16 -6.660 -9.845 65.381 1.00 70.52 C ATOM 258 CD GLU A 16 -7.536 -9.132 64.358 1.00 51.23 C ATOM 259 OE1 GLU A 16 -6.992 -8.391 63.560 1.00 0.43 O ATOM 260 OE2 GLU A 16 -8.738 -9.340 64.389 1.00 3.24 O ATOM 0 H GLU A 16 -5.047 -9.017 67.457 1.00 74.21 H new ATOM 0 HA GLU A 16 -4.665 -11.446 66.085 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -4.938 -8.564 65.105 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -4.966 -9.954 64.038 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -6.885 -10.912 65.383 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -6.879 -9.472 66.381 1.00 70.52 H new ATOM 267 N ILE A 17 -2.091 -9.412 65.999 1.00 1.12 N ATOM 268 CA ILE A 17 -0.704 -9.420 65.566 1.00 74.12 C ATOM 269 C ILE A 17 -0.040 -10.675 66.112 1.00 52.43 C ATOM 270 O ILE A 17 0.700 -11.368 65.418 1.00 71.24 O ATOM 271 CB ILE A 17 0.073 -8.194 66.082 1.00 31.21 C ATOM 272 CG1 ILE A 17 -0.626 -6.874 65.696 1.00 21.11 C ATOM 273 CG2 ILE A 17 1.484 -8.209 65.488 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.153 -6.908 64.258 1.00 11.10 C ATOM 0 H ILE A 17 -2.374 -8.626 66.584 1.00 1.12 H new ATOM 0 HA ILE A 17 -0.689 -9.394 64.476 1.00 74.12 H new ATOM 0 HB ILE A 17 0.113 -8.250 67.170 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -1.452 -6.687 66.382 1.00 21.11 H new ATOM 0 HG13 ILE A 17 0.074 -6.046 65.807 1.00 21.11 H new ATOM 0 HG21 ILE A 17 2.040 -7.344 65.849 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.997 -9.122 65.791 1.00 5.42 H new ATOM 0 HG23 ILE A 17 1.421 -8.172 64.400 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -1.638 -5.960 64.026 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.323 -7.069 63.570 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -1.873 -7.719 64.154 1.00 11.10 H new ATOM 286 N LEU A 18 -0.328 -10.950 67.382 1.00 13.32 N ATOM 287 CA LEU A 18 0.215 -12.119 68.057 1.00 64.35 C ATOM 288 C LEU A 18 -0.268 -13.419 67.416 1.00 73.55 C ATOM 289 O LEU A 18 0.455 -14.414 67.366 1.00 1.11 O ATOM 290 CB LEU A 18 -0.266 -12.103 69.513 1.00 23.24 C ATOM 291 CG LEU A 18 0.154 -10.800 70.213 1.00 32.10 C ATOM 292 CD1 LEU A 18 -0.275 -10.855 71.684 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.679 -10.611 70.127 1.00 62.50 C ATOM 0 H LEU A 18 -0.937 -10.375 67.964 1.00 13.32 H new ATOM 0 HA LEU A 18 1.302 -12.079 67.985 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.351 -12.204 69.543 1.00 23.24 H new ATOM 0 HB3 LEU A 18 0.149 -12.958 70.047 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.330 -9.959 69.717 1.00 32.10 H new ATOM 0 HD11 LEU A 18 0.021 -9.933 72.184 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.357 -10.969 71.743 1.00 51.45 H new ATOM 0 HD13 LEU A 18 0.206 -11.703 72.172 1.00 51.45 H new ATOM 0 HD21 LEU A 18 1.960 -9.684 70.627 1.00 62.50 H new ATOM 0 HD22 LEU A 18 2.178 -11.450 70.612 1.00 62.50 H new ATOM 0 HD23 LEU A 18 1.981 -10.565 69.081 1.00 62.50 H new ATOM 305 N HIS A 19 -1.530 -13.407 66.994 1.00 44.31 N ATOM 306 CA HIS A 19 -2.162 -14.596 66.429 1.00 21.24 C ATOM 307 C HIS A 19 -1.506 -15.150 65.156 1.00 30.12 C ATOM 308 O HIS A 19 -1.320 -16.351 65.049 1.00 12.43 O ATOM 309 CB HIS A 19 -3.627 -14.277 66.131 1.00 12.43 C ATOM 310 CG HIS A 19 -4.327 -15.522 65.661 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.521 -16.614 66.492 1.00 65.23 N ATOM 312 CD2 HIS A 19 -4.898 -15.859 64.459 1.00 34.10 C ATOM 313 CE1 HIS A 19 -5.184 -17.548 65.788 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.439 -17.139 64.541 1.00 31.43 N ATOM 0 H HIS A 19 -2.135 -12.587 67.033 1.00 44.31 H new ATOM 0 HA HIS A 19 -2.046 -15.377 67.180 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.115 -13.889 67.025 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.693 -13.500 65.369 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -4.924 -15.227 63.583 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.475 -18.511 66.182 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -5.925 -17.654 63.807 1.00 31.43 H new ATOM 323 N LEU A 20 -1.183 -14.268 64.203 1.00 53.41 N ATOM 324 CA LEU A 20 -0.608 -14.676 62.896 1.00 33.53 C ATOM 325 C LEU A 20 0.343 -15.884 63.007 1.00 54.01 C ATOM 326 O LEU A 20 1.547 -15.695 63.191 1.00 31.14 O ATOM 327 CB LEU A 20 0.159 -13.492 62.274 1.00 25.23 C ATOM 328 CG LEU A 20 -0.577 -12.172 62.535 1.00 15.11 C ATOM 329 CD1 LEU A 20 0.167 -11.033 61.835 1.00 11.51 C ATOM 330 CD2 LEU A 20 -2.000 -12.254 61.985 1.00 14.15 C ATOM 0 H LEU A 20 -1.307 -13.261 64.304 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.445 -14.974 62.265 1.00 33.53 H new ATOM 0 HB2 LEU A 20 1.164 -13.443 62.693 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.269 -13.647 61.201 1.00 25.23 H new ATOM 0 HG LEU A 20 -0.615 -11.987 63.609 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.353 -10.092 62.018 1.00 11.51 H new ATOM 0 HD12 LEU A 20 1.183 -10.968 62.225 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.202 -11.226 60.763 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.518 -11.313 62.173 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -1.965 -12.440 60.912 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.534 -13.067 62.477 1.00 14.15 H new ATOM 342 N PRO A 21 -0.141 -17.123 62.926 1.00 5.43 N ATOM 343 CA PRO A 21 0.767 -18.307 63.075 1.00 4.55 C ATOM 344 C PRO A 21 1.772 -18.443 61.925 1.00 42.01 C ATOM 345 O PRO A 21 2.912 -18.867 62.121 1.00 40.55 O ATOM 346 CB PRO A 21 -0.200 -19.501 63.131 1.00 51.03 C ATOM 347 CG PRO A 21 -1.407 -19.058 62.368 1.00 52.01 C ATOM 348 CD PRO A 21 -1.536 -17.545 62.605 1.00 10.12 C ATOM 0 HA PRO A 21 1.398 -18.225 63.960 1.00 4.55 H new ATOM 0 HB2 PRO A 21 0.245 -20.390 62.684 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.455 -19.755 64.160 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.298 -19.277 61.306 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.298 -19.583 62.712 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -1.918 -17.032 61.723 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.221 -17.324 63.424 1.00 10.12 H new ATOM 356 N ASN A 22 1.314 -18.099 60.723 1.00 21.44 N ATOM 357 CA ASN A 22 2.133 -18.196 59.516 1.00 1.13 C ATOM 358 C ASN A 22 3.411 -17.361 59.591 1.00 54.44 C ATOM 359 O ASN A 22 4.442 -17.736 59.030 1.00 64.32 O ATOM 360 CB ASN A 22 1.307 -17.799 58.286 1.00 64.41 C ATOM 361 CG ASN A 22 0.166 -18.791 58.083 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.198 -19.896 58.627 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.845 -18.462 57.326 1.00 41.12 N ATOM 0 H ASN A 22 0.371 -17.747 60.558 1.00 21.44 H new ATOM 0 HA ASN A 22 2.446 -19.236 59.429 1.00 1.13 H new ATOM 0 HB2 ASN A 22 0.907 -16.793 58.415 1.00 64.41 H new ATOM 0 HB3 ASN A 22 1.943 -17.778 57.401 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.611 -19.120 57.184 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.869 -17.547 56.877 1.00 41.12 H new ATOM 370 N LEU A 23 3.327 -16.214 60.258 1.00 72.44 N ATOM 371 CA LEU A 23 4.468 -15.301 60.374 1.00 24.15 C ATOM 372 C LEU A 23 5.272 -15.547 61.642 1.00 4.35 C ATOM 373 O LEU A 23 4.716 -15.843 62.699 1.00 20.33 O ATOM 374 CB LEU A 23 3.988 -13.844 60.353 1.00 62.31 C ATOM 375 CG LEU A 23 3.346 -13.488 58.994 1.00 5.24 C ATOM 376 CD1 LEU A 23 1.944 -14.129 58.828 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.248 -11.954 58.883 1.00 50.21 C ATOM 0 H LEU A 23 2.481 -15.891 60.728 1.00 72.44 H new ATOM 0 HA LEU A 23 5.117 -15.492 59.520 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.265 -13.685 61.153 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.829 -13.178 60.547 1.00 62.31 H new ATOM 0 HG LEU A 23 3.974 -13.888 58.197 1.00 5.24 H new ATOM 0 HD11 LEU A 23 1.530 -13.852 57.858 1.00 2.41 H new ATOM 0 HD12 LEU A 23 2.030 -15.214 58.889 1.00 2.41 H new ATOM 0 HD13 LEU A 23 1.285 -13.772 59.619 1.00 2.41 H new ATOM 0 HD21 LEU A 23 2.796 -11.686 57.928 1.00 50.21 H new ATOM 0 HD22 LEU A 23 2.632 -11.569 59.696 1.00 50.21 H new ATOM 0 HD23 LEU A 23 4.246 -11.520 58.947 1.00 50.21 H new ATOM 389 N ASN A 24 6.594 -15.404 61.527 1.00 53.33 N ATOM 390 CA ASN A 24 7.467 -15.594 62.675 1.00 34.12 C ATOM 391 C ASN A 24 7.386 -14.363 63.568 1.00 21.20 C ATOM 392 O ASN A 24 6.739 -13.377 63.216 1.00 4.03 O ATOM 393 CB ASN A 24 8.916 -15.849 62.231 1.00 54.45 C ATOM 394 CG ASN A 24 9.541 -14.594 61.630 1.00 14.24 C ATOM 395 OD1 ASN A 24 8.835 -13.505 61.511 1.00 52.10 O flip ATOM 396 ND2 ASN A 24 10.710 -14.611 61.246 1.00 10.10 N flip ATOM 0 H ASN A 24 7.074 -15.160 60.660 1.00 53.33 H new ATOM 0 HA ASN A 24 7.139 -16.471 63.233 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.507 -16.179 63.085 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.937 -16.655 61.498 1.00 54.45 H new ATOM 0 HD21 ASN A 24 11.265 -15.462 61.338 1.00 10.10 H new ATOM 0 HD22 ASN A 24 11.124 -13.774 60.836 1.00 10.10 H new ATOM 403 N GLU A 25 7.995 -14.437 64.737 1.00 2.50 N ATOM 404 CA GLU A 25 7.925 -13.333 65.681 1.00 70.01 C ATOM 405 C GLU A 25 8.541 -12.031 65.148 1.00 23.41 C ATOM 406 O GLU A 25 8.076 -10.950 65.503 1.00 54.44 O ATOM 407 CB GLU A 25 8.646 -13.730 66.975 1.00 41.34 C ATOM 408 CG GLU A 25 7.920 -14.912 67.647 1.00 14.41 C ATOM 409 CD GLU A 25 8.357 -16.240 67.027 1.00 31.22 C ATOM 410 OE1 GLU A 25 9.245 -16.225 66.191 1.00 53.54 O ATOM 411 OE2 GLU A 25 7.794 -17.256 67.401 1.00 60.43 O ATOM 0 H GLU A 25 8.538 -15.240 65.055 1.00 2.50 H new ATOM 0 HA GLU A 25 6.867 -13.137 65.856 1.00 70.01 H new ATOM 0 HB2 GLU A 25 9.678 -14.005 66.756 1.00 41.34 H new ATOM 0 HB3 GLU A 25 8.680 -12.880 67.656 1.00 41.34 H new ATOM 0 HG2 GLU A 25 8.134 -14.916 68.716 1.00 14.41 H new ATOM 0 HG3 GLU A 25 6.842 -14.792 67.539 1.00 14.41 H new ATOM 418 N GLU A 26 9.602 -12.106 64.343 1.00 15.03 N ATOM 419 CA GLU A 26 10.226 -10.865 63.871 1.00 73.00 C ATOM 420 C GLU A 26 9.266 -9.990 63.050 1.00 60.10 C ATOM 421 O GLU A 26 9.250 -8.763 63.213 1.00 20.24 O ATOM 422 CB GLU A 26 11.457 -11.213 63.023 1.00 33.15 C ATOM 423 CG GLU A 26 12.219 -9.938 62.637 1.00 23.24 C ATOM 424 CD GLU A 26 13.381 -10.291 61.715 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.529 -11.461 61.400 1.00 64.52 O ATOM 426 OE2 GLU A 26 14.108 -9.387 61.337 1.00 33.33 O ATOM 0 H GLU A 26 10.033 -12.970 64.015 1.00 15.03 H new ATOM 0 HA GLU A 26 10.511 -10.287 64.750 1.00 73.00 H new ATOM 0 HB2 GLU A 26 12.113 -11.882 63.580 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.148 -11.746 62.124 1.00 33.15 H new ATOM 0 HG2 GLU A 26 11.547 -9.238 62.139 1.00 23.24 H new ATOM 0 HG3 GLU A 26 12.591 -9.440 63.533 1.00 23.24 H new ATOM 433 N GLN A 27 8.438 -10.597 62.196 1.00 53.11 N ATOM 434 CA GLN A 27 7.486 -9.795 61.426 1.00 10.33 C ATOM 435 C GLN A 27 6.514 -9.075 62.336 1.00 42.41 C ATOM 436 O GLN A 27 6.105 -7.947 62.064 1.00 34.43 O ATOM 437 CB GLN A 27 6.686 -10.648 60.447 1.00 64.43 C ATOM 438 CG GLN A 27 7.594 -11.246 59.374 1.00 31.30 C ATOM 439 CD GLN A 27 6.748 -12.055 58.396 1.00 54.30 C ATOM 440 OE1 GLN A 27 6.451 -13.222 58.649 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.307 -11.489 57.302 1.00 5.41 N ATOM 0 H GLN A 27 8.406 -11.602 62.024 1.00 53.11 H new ATOM 0 HA GLN A 27 8.079 -9.070 60.869 1.00 10.33 H new ATOM 0 HB2 GLN A 27 6.179 -11.448 60.986 1.00 64.43 H new ATOM 0 HB3 GLN A 27 5.913 -10.040 59.977 1.00 64.43 H new ATOM 0 HG2 GLN A 27 8.124 -10.453 58.846 1.00 31.30 H new ATOM 0 HG3 GLN A 27 8.350 -11.883 59.834 1.00 31.30 H new ATOM 0 HE21 GLN A 27 6.554 -10.522 57.093 1.00 5.41 H new ATOM 0 HE22 GLN A 27 5.716 -12.015 56.658 1.00 5.41 H new ATOM 450 N ARG A 28 6.123 -9.754 63.407 1.00 62.14 N ATOM 451 CA ARG A 28 5.170 -9.180 64.332 1.00 4.15 C ATOM 452 C ARG A 28 5.700 -7.885 64.908 1.00 35.40 C ATOM 453 O ARG A 28 4.949 -6.929 65.102 1.00 32.24 O ATOM 454 CB ARG A 28 4.899 -10.175 65.458 1.00 51.12 C ATOM 455 CG ARG A 28 4.248 -11.428 64.870 1.00 62.14 C ATOM 456 CD ARG A 28 3.880 -12.392 65.996 1.00 71.02 C ATOM 457 NE ARG A 28 3.449 -13.670 65.442 1.00 31.13 N ATOM 458 CZ ARG A 28 3.435 -14.774 66.183 1.00 54.21 C ATOM 459 NH1 ARG A 28 3.803 -14.726 67.434 1.00 41.20 N ATOM 460 NH2 ARG A 28 3.053 -15.907 65.658 1.00 12.35 N ATOM 0 H ARG A 28 6.449 -10.690 63.650 1.00 62.14 H new ATOM 0 HA ARG A 28 4.244 -8.966 63.799 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.830 -10.436 65.962 1.00 51.12 H new ATOM 0 HB3 ARG A 28 4.245 -9.727 66.207 1.00 51.12 H new ATOM 0 HG2 ARG A 28 3.356 -11.156 64.305 1.00 62.14 H new ATOM 0 HG3 ARG A 28 4.932 -11.912 64.173 1.00 62.14 H new ATOM 0 HD2 ARG A 28 4.738 -12.542 66.651 1.00 71.02 H new ATOM 0 HD3 ARG A 28 3.084 -11.964 66.606 1.00 71.02 H new ATOM 0 HE ARG A 28 3.153 -13.718 64.467 1.00 31.13 H new ATOM 0 HH11 ARG A 28 4.102 -13.841 67.844 1.00 41.20 H new ATOM 0 HH12 ARG A 28 3.792 -15.573 68.002 1.00 41.20 H new ATOM 0 HH21 ARG A 28 2.766 -15.945 64.680 1.00 12.35 H new ATOM 0 HH22 ARG A 28 3.042 -16.754 66.226 1.00 12.35 H new ATOM 474 N ASN A 29 7.001 -7.847 65.165 1.00 24.15 N ATOM 475 CA ASN A 29 7.596 -6.642 65.701 1.00 60.44 C ATOM 476 C ASN A 29 7.361 -5.466 64.776 1.00 75.34 C ATOM 477 O ASN A 29 7.147 -4.342 65.230 1.00 70.51 O ATOM 478 CB ASN A 29 9.097 -6.813 65.928 1.00 73.24 C ATOM 479 CG ASN A 29 9.613 -5.621 66.726 1.00 64.23 C ATOM 480 OD1 ASN A 29 8.763 -4.718 67.145 1.00 23.13 O flip ATOM 481 ND2 ASN A 29 10.814 -5.505 66.972 1.00 22.23 N flip ATOM 0 H ASN A 29 7.648 -8.621 65.013 1.00 24.15 H new ATOM 0 HA ASN A 29 7.116 -6.448 66.660 1.00 60.44 H new ATOM 0 HB2 ASN A 29 9.294 -7.741 66.466 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.618 -6.881 64.973 1.00 73.24 H new ATOM 0 HD21 ASN A 29 11.472 -6.211 66.643 1.00 22.23 H new ATOM 0 HD22 ASN A 29 11.150 -4.703 67.504 1.00 22.23 H new ATOM 488 N GLY A 30 7.439 -5.714 63.466 1.00 62.31 N ATOM 489 CA GLY A 30 7.267 -4.622 62.520 1.00 31.33 C ATOM 490 C GLY A 30 5.926 -3.915 62.689 1.00 73.22 C ATOM 491 O GLY A 30 5.874 -2.686 62.676 1.00 3.32 O ATOM 0 H GLY A 30 7.614 -6.630 63.052 1.00 62.31 H new ATOM 0 HA2 GLY A 30 8.074 -3.901 62.650 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.346 -5.009 61.504 1.00 31.33 H new ATOM 495 N PHE A 31 4.842 -4.670 62.889 1.00 73.50 N ATOM 496 CA PHE A 31 3.553 -4.022 63.102 1.00 73.42 C ATOM 497 C PHE A 31 3.530 -3.201 64.384 1.00 41.15 C ATOM 498 O PHE A 31 2.959 -2.112 64.419 1.00 74.33 O ATOM 499 CB PHE A 31 2.390 -5.027 63.116 1.00 34.44 C ATOM 500 CG PHE A 31 2.170 -5.606 61.736 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.418 -4.876 60.809 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.702 -6.852 61.379 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.193 -5.385 59.527 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.475 -7.363 60.092 1.00 64.45 C ATOM 505 CZ PHE A 31 1.719 -6.628 59.167 1.00 32.21 C ATOM 0 H PHE A 31 4.831 -5.690 62.907 1.00 73.50 H new ATOM 0 HA PHE A 31 3.418 -3.350 62.254 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.604 -5.829 63.823 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.480 -4.534 63.459 1.00 34.44 H new ATOM 0 HD1 PHE A 31 1.010 -3.915 61.085 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.285 -7.417 62.092 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.613 -4.817 58.815 1.00 24.35 H new ATOM 0 HE2 PHE A 31 2.883 -8.323 59.813 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.544 -7.023 58.177 1.00 32.21 H new ATOM 515 N ILE A 32 4.119 -3.740 65.452 1.00 5.31 N ATOM 516 CA ILE A 32 4.103 -3.033 66.725 1.00 13.12 C ATOM 517 C ILE A 32 4.763 -1.664 66.644 1.00 53.33 C ATOM 518 O ILE A 32 4.230 -0.685 67.163 1.00 22.52 O ATOM 519 CB ILE A 32 4.805 -3.865 67.807 1.00 3.21 C ATOM 520 CG1 ILE A 32 4.079 -5.207 67.959 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.768 -3.096 69.134 1.00 2.52 C ATOM 522 CD1 ILE A 32 4.824 -6.114 68.946 1.00 12.55 C ATOM 0 H ILE A 32 4.600 -4.639 65.460 1.00 5.31 H new ATOM 0 HA ILE A 32 3.055 -2.884 66.984 1.00 13.12 H new ATOM 0 HB ILE A 32 5.842 -4.048 67.526 1.00 3.21 H new ATOM 0 HG12 ILE A 32 3.061 -5.038 68.309 1.00 51.24 H new ATOM 0 HG13 ILE A 32 4.005 -5.699 66.989 1.00 51.24 H new ATOM 0 HG21 ILE A 32 5.265 -3.681 69.908 1.00 2.52 H new ATOM 0 HG22 ILE A 32 5.280 -2.141 69.016 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.732 -2.918 69.423 1.00 2.52 H new ATOM 0 HD11 ILE A 32 4.294 -7.062 69.041 1.00 12.55 H new ATOM 0 HD12 ILE A 32 5.834 -6.298 68.580 1.00 12.55 H new ATOM 0 HD13 ILE A 32 4.875 -5.628 69.920 1.00 12.55 H new ATOM 534 N GLN A 33 5.933 -1.589 66.017 1.00 33.25 N ATOM 535 CA GLN A 33 6.615 -0.308 65.934 1.00 44.43 C ATOM 536 C GLN A 33 5.782 0.709 65.161 1.00 41.02 C ATOM 537 O GLN A 33 5.699 1.887 65.532 1.00 62.52 O ATOM 538 CB GLN A 33 7.961 -0.511 65.239 1.00 11.33 C ATOM 539 CG GLN A 33 8.830 -1.423 66.108 1.00 23.13 C ATOM 540 CD GLN A 33 10.163 -1.692 65.424 1.00 61.31 C ATOM 541 OE1 GLN A 33 10.332 -1.383 64.244 1.00 3.21 O ATOM 542 NE2 GLN A 33 11.111 -2.296 66.087 1.00 22.34 N ATOM 0 H GLN A 33 6.413 -2.372 65.574 1.00 33.25 H new ATOM 0 HA GLN A 33 6.765 0.079 66.942 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.815 -0.955 64.254 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.456 0.448 65.086 1.00 11.33 H new ATOM 0 HG2 GLN A 33 8.999 -0.958 67.079 1.00 23.13 H new ATOM 0 HG3 GLN A 33 8.311 -2.364 66.291 1.00 23.13 H new ATOM 0 HE21 GLN A 33 10.967 -2.550 67.064 1.00 22.34 H new ATOM 0 HE22 GLN A 33 11.995 -2.514 65.628 1.00 22.34 H new ATOM 551 N SER A 34 5.139 0.239 64.094 1.00 11.43 N ATOM 552 CA SER A 34 4.297 1.114 63.298 1.00 62.44 C ATOM 553 C SER A 34 3.095 1.587 64.092 1.00 44.14 C ATOM 554 O SER A 34 2.589 2.688 63.877 1.00 31.42 O ATOM 555 CB SER A 34 3.823 0.380 62.045 1.00 73.44 C ATOM 556 OG SER A 34 2.930 -0.661 62.422 1.00 55.11 O ATOM 0 H SER A 34 5.186 -0.727 63.769 1.00 11.43 H new ATOM 0 HA SER A 34 4.888 1.985 63.014 1.00 62.44 H new ATOM 0 HB2 SER A 34 3.325 1.075 61.368 1.00 73.44 H new ATOM 0 HB3 SER A 34 4.676 -0.033 61.507 1.00 73.44 H new ATOM 0 HG SER A 34 3.245 -1.078 63.251 1.00 55.11 H new ATOM 562 N LEU A 35 2.626 0.736 65.003 1.00 61.32 N ATOM 563 CA LEU A 35 1.466 1.086 65.800 1.00 34.02 C ATOM 564 C LEU A 35 1.729 2.337 66.617 1.00 42.43 C ATOM 565 O LEU A 35 0.859 3.197 66.755 1.00 22.40 O ATOM 566 CB LEU A 35 1.130 -0.088 66.737 1.00 22.42 C ATOM 567 CG LEU A 35 -0.155 0.184 67.539 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.387 0.076 66.635 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.267 -0.850 68.665 1.00 41.21 C ATOM 0 H LEU A 35 3.026 -0.181 65.201 1.00 61.32 H new ATOM 0 HA LEU A 35 0.626 1.286 65.135 1.00 34.02 H new ATOM 0 HB2 LEU A 35 1.009 -1.000 66.152 1.00 22.42 H new ATOM 0 HB3 LEU A 35 1.960 -0.257 67.423 1.00 22.42 H new ATOM 0 HG LEU A 35 -0.109 1.192 67.951 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.286 0.272 67.220 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.312 0.806 65.829 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.441 -0.927 66.212 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -1.175 -0.666 69.239 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.306 -1.852 68.237 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.600 -0.769 69.321 1.00 41.21 H new ATOM 581 N LYS A 36 2.935 2.431 67.163 1.00 14.21 N ATOM 582 CA LYS A 36 3.287 3.583 67.967 1.00 33.34 C ATOM 583 C LYS A 36 3.215 4.877 67.162 1.00 11.12 C ATOM 584 O LYS A 36 2.755 5.902 67.664 1.00 20.33 O ATOM 585 CB LYS A 36 4.694 3.392 68.537 1.00 73.11 C ATOM 586 CG LYS A 36 5.026 4.523 69.512 1.00 31.42 C ATOM 587 CD LYS A 36 6.454 4.337 70.027 1.00 4.15 C ATOM 588 CE LYS A 36 6.746 5.360 71.127 1.00 25.42 C ATOM 589 NZ LYS A 36 7.968 4.948 71.872 1.00 71.12 N ATOM 0 H LYS A 36 3.672 1.733 67.064 1.00 14.21 H new ATOM 0 HA LYS A 36 2.566 3.666 68.780 1.00 33.34 H new ATOM 0 HB2 LYS A 36 4.760 2.431 69.047 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.423 3.374 67.727 1.00 73.11 H new ATOM 0 HG2 LYS A 36 4.928 5.488 69.015 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.323 4.520 70.345 1.00 31.42 H new ATOM 0 HD2 LYS A 36 6.582 3.326 70.415 1.00 4.15 H new ATOM 0 HD3 LYS A 36 7.164 4.457 69.209 1.00 4.15 H new ATOM 0 HE2 LYS A 36 6.888 6.349 70.691 1.00 25.42 H new ATOM 0 HE3 LYS A 36 5.898 5.431 71.808 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 8.169 5.642 72.620 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 7.815 4.012 72.299 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 8.775 4.902 71.217 1.00 71.12 H new ATOM 603 N ASP A 37 3.704 4.836 65.920 1.00 24.34 N ATOM 604 CA ASP A 37 3.703 6.042 65.090 1.00 34.10 C ATOM 605 C ASP A 37 2.300 6.597 64.816 1.00 0.00 C ATOM 606 O ASP A 37 2.095 7.811 64.837 1.00 4.30 O ATOM 607 CB ASP A 37 4.389 5.739 63.757 1.00 73.02 C ATOM 608 CG ASP A 37 5.871 5.458 63.986 1.00 31.53 C ATOM 609 OD1 ASP A 37 6.344 5.734 65.076 1.00 72.31 O ATOM 610 OD2 ASP A 37 6.509 4.970 63.068 1.00 40.14 O ATOM 0 H ASP A 37 4.096 4.005 65.477 1.00 24.34 H new ATOM 0 HA ASP A 37 4.242 6.806 65.650 1.00 34.10 H new ATOM 0 HB2 ASP A 37 3.916 4.879 63.282 1.00 73.02 H new ATOM 0 HB3 ASP A 37 4.271 6.583 63.078 1.00 73.02 H new ATOM 615 N ASP A 38 1.336 5.707 64.556 1.00 14.53 N ATOM 616 CA ASP A 38 -0.048 6.127 64.272 1.00 52.01 C ATOM 617 C ASP A 38 -1.067 5.286 65.041 1.00 55.12 C ATOM 618 O ASP A 38 -1.725 4.444 64.431 1.00 54.45 O ATOM 619 CB ASP A 38 -0.320 5.983 62.773 1.00 64.33 C ATOM 620 CG ASP A 38 0.749 6.719 61.972 1.00 75.33 C ATOM 621 OD1 ASP A 38 1.023 7.862 62.297 1.00 43.12 O ATOM 622 OD2 ASP A 38 1.274 6.130 61.042 1.00 43.15 O ATOM 0 H ASP A 38 1.483 4.698 64.535 1.00 14.53 H new ATOM 0 HA ASP A 38 -0.154 7.165 64.589 1.00 52.01 H new ATOM 0 HB2 ASP A 38 -0.330 4.929 62.497 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -1.305 6.384 62.534 1.00 64.33 H new ATOM 627 N PRO A 39 -1.237 5.445 66.326 1.00 2.35 N ATOM 628 CA PRO A 39 -2.228 4.604 67.053 1.00 63.52 C ATOM 629 C PRO A 39 -3.650 4.767 66.494 1.00 2.21 C ATOM 630 O PRO A 39 -4.438 3.822 66.518 1.00 61.23 O ATOM 631 CB PRO A 39 -2.118 5.082 68.518 1.00 53.14 C ATOM 632 CG PRO A 39 -1.460 6.429 68.447 1.00 51.34 C ATOM 633 CD PRO A 39 -0.555 6.399 67.215 1.00 64.23 C ATOM 0 HA PRO A 39 -2.023 3.539 66.948 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -3.101 5.148 68.985 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.528 4.387 69.115 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -2.204 7.221 68.364 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.882 6.628 69.350 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.465 7.384 66.757 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.454 6.069 67.463 1.00 64.23 H new ATOM 641 N SER A 40 -3.970 5.960 65.980 1.00 4.33 N ATOM 642 CA SER A 40 -5.300 6.195 65.413 1.00 13.21 C ATOM 643 C SER A 40 -5.546 5.321 64.183 1.00 51.10 C ATOM 644 O SER A 40 -6.676 4.923 63.901 1.00 32.13 O ATOM 645 CB SER A 40 -5.440 7.664 65.021 1.00 51.14 C ATOM 646 OG SER A 40 -4.575 7.939 63.926 1.00 23.14 O ATOM 0 H SER A 40 -3.340 6.762 65.945 1.00 4.33 H new ATOM 0 HA SER A 40 -6.038 5.936 66.172 1.00 13.21 H new ATOM 0 HB2 SER A 40 -6.472 7.884 64.749 1.00 51.14 H new ATOM 0 HB3 SER A 40 -5.190 8.304 65.867 1.00 51.14 H new ATOM 0 HG SER A 40 -4.662 8.881 63.669 1.00 23.14 H new ATOM 652 N GLN A 41 -4.465 5.029 63.461 1.00 64.11 N ATOM 653 CA GLN A 41 -4.524 4.200 62.253 1.00 21.21 C ATOM 654 C GLN A 41 -4.377 2.722 62.546 1.00 63.34 C ATOM 655 O GLN A 41 -4.195 1.928 61.627 1.00 64.12 O ATOM 656 CB GLN A 41 -3.487 4.634 61.220 1.00 4.21 C ATOM 657 CG GLN A 41 -3.813 6.051 60.763 1.00 53.11 C ATOM 658 CD GLN A 41 -2.786 6.530 59.751 1.00 73.40 C ATOM 659 OE1 GLN A 41 -1.646 6.062 59.745 1.00 23.22 O ATOM 660 NE2 GLN A 41 -3.155 7.381 58.839 1.00 31.31 N ATOM 0 H GLN A 41 -3.528 5.357 63.693 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.520 4.354 61.837 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.486 4.597 61.651 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -3.493 3.952 60.370 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -4.809 6.077 60.320 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -3.828 6.723 61.621 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -4.100 7.764 58.851 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -2.499 7.666 58.112 1.00 31.31 H new ATOM 669 N SER A 42 -4.426 2.344 63.809 1.00 22.41 N ATOM 670 CA SER A 42 -4.254 0.944 64.136 1.00 32.10 C ATOM 671 C SER A 42 -5.312 0.126 63.426 1.00 23.14 C ATOM 672 O SER A 42 -5.068 -1.023 63.056 1.00 21.14 O ATOM 673 CB SER A 42 -4.399 0.742 65.640 1.00 2.01 C ATOM 674 OG SER A 42 -5.747 0.990 66.018 1.00 23.11 O ATOM 0 H SER A 42 -4.579 2.966 64.603 1.00 22.41 H new ATOM 0 HA SER A 42 -3.262 0.624 63.819 1.00 32.10 H new ATOM 0 HB2 SER A 42 -4.114 -0.274 65.911 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.729 1.415 66.175 1.00 2.01 H new ATOM 0 HG SER A 42 -5.837 1.918 66.319 1.00 23.11 H new ATOM 680 N ALA A 43 -6.475 0.718 63.194 1.00 65.21 N ATOM 681 CA ALA A 43 -7.504 -0.007 62.480 1.00 63.33 C ATOM 682 C ALA A 43 -7.027 -0.307 61.064 1.00 54.34 C ATOM 683 O ALA A 43 -7.208 -1.416 60.555 1.00 22.33 O ATOM 684 CB ALA A 43 -8.767 0.850 62.407 1.00 1.04 C ATOM 0 H ALA A 43 -6.721 1.666 63.480 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.717 -0.940 63.002 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.545 0.307 61.870 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.113 1.075 63.416 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.546 1.780 61.883 1.00 1.04 H new ATOM 690 N ASN A 44 -6.387 0.687 60.438 1.00 0.42 N ATOM 691 CA ASN A 44 -5.869 0.494 59.091 1.00 64.12 C ATOM 692 C ASN A 44 -4.842 -0.632 59.059 1.00 64.33 C ATOM 693 O ASN A 44 -4.803 -1.431 58.124 1.00 73.11 O ATOM 694 CB ASN A 44 -5.197 1.784 58.609 1.00 33.42 C ATOM 695 CG ASN A 44 -6.201 2.936 58.563 1.00 41.31 C ATOM 696 OD1 ASN A 44 -5.830 4.124 58.969 1.00 74.23 O flip ATOM 697 ND2 ASN A 44 -7.353 2.746 58.170 1.00 54.12 N flip ATOM 0 H ASN A 44 -6.221 1.611 60.836 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.704 0.234 58.440 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.373 2.041 59.275 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -4.770 1.628 57.618 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -7.638 1.819 57.855 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -8.022 3.516 58.160 1.00 54.12 H new ATOM 704 N LEU A 45 -4.016 -0.684 60.104 1.00 41.32 N ATOM 705 CA LEU A 45 -2.988 -1.713 60.212 1.00 63.54 C ATOM 706 C LEU A 45 -3.596 -3.099 60.321 1.00 61.15 C ATOM 707 O LEU A 45 -3.038 -4.076 59.821 1.00 54.24 O ATOM 708 CB LEU A 45 -2.111 -1.454 61.445 1.00 51.25 C ATOM 709 CG LEU A 45 -1.456 -0.065 61.371 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.516 0.103 62.570 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.647 0.084 60.066 1.00 11.44 C ATOM 0 H LEU A 45 -4.040 -0.027 60.884 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.384 -1.669 59.306 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.716 -1.527 62.349 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.340 -2.221 61.515 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.235 0.698 61.388 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.045 1.085 62.528 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.086 0.013 63.495 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.253 -0.669 62.541 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.191 1.073 60.032 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.133 -0.677 60.033 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.311 -0.039 59.210 1.00 11.44 H new ATOM 723 N LEU A 46 -4.721 -3.185 61.023 1.00 71.41 N ATOM 724 CA LEU A 46 -5.359 -4.473 61.233 1.00 61.10 C ATOM 725 C LEU A 46 -5.731 -5.139 59.920 1.00 31.50 C ATOM 726 O LEU A 46 -5.559 -6.347 59.763 1.00 54.02 O ATOM 727 CB LEU A 46 -6.627 -4.250 62.074 1.00 60.53 C ATOM 728 CG LEU A 46 -7.236 -5.597 62.537 1.00 44.45 C ATOM 729 CD1 LEU A 46 -8.071 -5.372 63.807 1.00 64.30 C ATOM 730 CD2 LEU A 46 -8.132 -6.224 61.436 1.00 0.20 C ATOM 0 H LEU A 46 -5.201 -2.392 61.448 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.659 -5.132 61.747 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.387 -3.638 62.944 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.362 -3.697 61.489 1.00 60.53 H new ATOM 0 HG LEU A 46 -6.417 -6.286 62.742 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -8.500 -6.320 64.133 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -7.434 -4.972 64.595 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -8.873 -4.665 63.595 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.543 -7.168 61.795 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -8.947 -5.541 61.198 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -7.536 -6.404 60.541 1.00 0.20 H new ATOM 742 N ALA A 47 -6.224 -4.359 58.965 1.00 34.35 N ATOM 743 CA ALA A 47 -6.592 -4.945 57.685 1.00 53.05 C ATOM 744 C ALA A 47 -5.382 -5.465 56.918 1.00 12.35 C ATOM 745 O ALA A 47 -5.429 -6.545 56.328 1.00 23.24 O ATOM 746 CB ALA A 47 -7.319 -3.905 56.833 1.00 33.42 C ATOM 0 H ALA A 47 -6.374 -3.353 59.047 1.00 34.35 H new ATOM 0 HA ALA A 47 -7.245 -5.793 57.892 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.593 -4.347 55.875 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -8.219 -3.575 57.351 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.664 -3.051 56.664 1.00 33.42 H new ATOM 752 N GLU A 48 -4.297 -4.687 56.918 1.00 4.11 N ATOM 753 CA GLU A 48 -3.097 -5.092 56.199 1.00 71.31 C ATOM 754 C GLU A 48 -2.438 -6.332 56.789 1.00 53.14 C ATOM 755 O GLU A 48 -1.893 -7.156 56.054 1.00 1.34 O ATOM 756 CB GLU A 48 -2.093 -3.938 56.188 1.00 1.10 C ATOM 757 CG GLU A 48 -2.672 -2.768 55.388 1.00 43.35 C ATOM 758 CD GLU A 48 -1.657 -1.632 55.313 1.00 0.13 C ATOM 759 OE1 GLU A 48 -0.657 -1.711 56.007 1.00 22.11 O ATOM 760 OE2 GLU A 48 -1.897 -0.698 54.567 1.00 1.25 O ATOM 0 H GLU A 48 -4.228 -3.790 57.399 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.405 -5.346 55.185 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.874 -3.622 57.208 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -1.152 -4.265 55.746 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -2.934 -3.099 54.383 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -3.590 -2.415 55.857 1.00 43.35 H new ATOM 767 N ALA A 49 -2.456 -6.458 58.117 1.00 33.23 N ATOM 768 CA ALA A 49 -1.813 -7.608 58.738 1.00 2.00 C ATOM 769 C ALA A 49 -2.516 -8.912 58.395 1.00 71.01 C ATOM 770 O ALA A 49 -1.871 -9.907 58.065 1.00 35.52 O ATOM 771 CB ALA A 49 -1.803 -7.431 60.257 1.00 23.43 C ATOM 0 H ALA A 49 -2.894 -5.800 58.762 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.795 -7.662 58.351 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.322 -8.292 60.720 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.253 -6.526 60.514 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.827 -7.349 60.620 1.00 23.43 H new ATOM 777 N LYS A 50 -3.845 -8.906 58.471 1.00 4.25 N ATOM 778 CA LYS A 50 -4.604 -10.107 58.158 1.00 23.31 C ATOM 779 C LYS A 50 -4.382 -10.543 56.716 1.00 72.12 C ATOM 780 O LYS A 50 -4.248 -11.732 56.425 1.00 75.31 O ATOM 781 CB LYS A 50 -6.094 -9.853 58.407 1.00 25.20 C ATOM 782 CG LYS A 50 -6.888 -11.151 58.224 1.00 15.54 C ATOM 783 CD LYS A 50 -8.379 -10.867 58.419 1.00 73.13 C ATOM 784 CE LYS A 50 -9.158 -12.184 58.401 1.00 33.33 C ATOM 785 NZ LYS A 50 -10.556 -11.941 58.859 1.00 30.21 N ATOM 0 H LYS A 50 -4.407 -8.099 58.741 1.00 4.25 H new ATOM 0 HA LYS A 50 -4.256 -10.911 58.807 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -6.241 -9.467 59.416 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -6.461 -9.093 57.718 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.712 -11.561 57.230 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.552 -11.900 58.941 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.541 -10.350 59.365 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.740 -10.208 57.630 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -9.161 -12.603 57.395 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.673 -12.914 59.049 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -11.086 -12.836 58.847 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -10.543 -11.559 59.826 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -11.016 -11.258 58.224 1.00 30.21 H new ATOM 799 N LYS A 51 -4.376 -9.562 55.812 1.00 23.43 N ATOM 800 CA LYS A 51 -4.204 -9.846 54.394 1.00 54.50 C ATOM 801 C LYS A 51 -2.874 -10.524 54.085 1.00 75.32 C ATOM 802 O LYS A 51 -2.819 -11.456 53.282 1.00 61.01 O ATOM 803 CB LYS A 51 -4.302 -8.530 53.616 1.00 24.15 C ATOM 804 CG LYS A 51 -4.272 -8.794 52.108 1.00 5.50 C ATOM 805 CD LYS A 51 -4.309 -7.457 51.367 1.00 53.11 C ATOM 806 CE LYS A 51 -4.439 -7.705 49.866 1.00 31.35 C ATOM 807 NZ LYS A 51 -3.248 -8.455 49.382 1.00 54.42 N ATOM 0 H LYS A 51 -4.487 -8.574 56.038 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.990 -10.540 54.095 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -5.223 -8.011 53.882 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -3.476 -7.875 53.893 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -3.372 -9.348 51.841 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -5.123 -9.409 51.817 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -5.148 -6.857 51.720 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -3.402 -6.890 51.575 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -5.347 -8.270 49.657 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -4.525 -6.756 49.336 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -3.205 -8.405 48.344 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -2.386 -8.035 49.785 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -3.320 -9.449 49.678 1.00 54.42 H new ATOM 821 N LEU A 52 -1.798 -10.049 54.711 1.00 14.24 N ATOM 822 CA LEU A 52 -0.486 -10.630 54.460 1.00 55.12 C ATOM 823 C LEU A 52 -0.452 -12.093 54.862 1.00 73.34 C ATOM 824 O LEU A 52 0.184 -12.916 54.203 1.00 73.02 O ATOM 825 CB LEU A 52 0.600 -9.840 55.204 1.00 71.21 C ATOM 826 CG LEU A 52 2.005 -10.373 54.845 1.00 72.12 C ATOM 827 CD1 LEU A 52 2.359 -10.018 53.388 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.038 -9.725 55.779 1.00 45.20 C ATOM 0 H LEU A 52 -1.809 -9.280 55.381 1.00 14.24 H new ATOM 0 HA LEU A 52 -0.288 -10.571 53.390 1.00 55.12 H new ATOM 0 HB2 LEU A 52 0.529 -8.783 54.946 1.00 71.21 H new ATOM 0 HB3 LEU A 52 0.440 -9.917 56.279 1.00 71.21 H new ATOM 0 HG LEU A 52 2.013 -11.457 54.959 1.00 72.12 H new ATOM 0 HD11 LEU A 52 3.352 -10.401 53.151 1.00 53.43 H new ATOM 0 HD12 LEU A 52 1.627 -10.467 52.716 1.00 53.43 H new ATOM 0 HD13 LEU A 52 2.349 -8.935 53.265 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.033 -10.095 55.533 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.012 -8.642 55.655 1.00 45.20 H new ATOM 0 HD23 LEU A 52 2.802 -9.977 56.813 1.00 45.20 H new ATOM 840 N ASN A 53 -1.118 -12.410 55.967 1.00 30.55 N ATOM 841 CA ASN A 53 -1.123 -13.776 56.458 1.00 12.22 C ATOM 842 C ASN A 53 -1.642 -14.745 55.402 1.00 20.35 C ATOM 843 O ASN A 53 -1.097 -15.833 55.225 1.00 22.15 O ATOM 844 CB ASN A 53 -2.037 -13.844 57.685 1.00 4.55 C ATOM 845 CG ASN A 53 -1.949 -15.211 58.350 1.00 21.40 C ATOM 846 OD1 ASN A 53 -0.934 -15.484 59.117 1.00 11.02 O flip ATOM 847 ND2 ASN A 53 -2.847 -16.039 58.193 1.00 12.51 N flip ATOM 0 H ASN A 53 -1.653 -11.748 56.530 1.00 30.55 H new ATOM 0 HA ASN A 53 -0.102 -14.061 56.709 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.755 -13.069 58.398 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -3.067 -13.644 57.388 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -3.641 -15.822 57.591 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -2.796 -16.942 58.665 1.00 12.51 H new ATOM 854 N ASP A 54 -2.694 -14.340 54.697 1.00 50.01 N ATOM 855 CA ASP A 54 -3.263 -15.188 53.659 1.00 62.34 C ATOM 856 C ASP A 54 -2.269 -15.494 52.541 1.00 11.11 C ATOM 857 O ASP A 54 -2.250 -16.601 52.002 1.00 73.25 O ATOM 858 CB ASP A 54 -4.500 -14.518 53.062 1.00 11.40 C ATOM 859 CG ASP A 54 -5.220 -15.490 52.135 1.00 5.23 C ATOM 860 OD1 ASP A 54 -4.808 -16.638 52.077 1.00 44.54 O ATOM 861 OD2 ASP A 54 -6.174 -15.075 51.495 1.00 12.01 O ATOM 0 H ASP A 54 -3.163 -13.443 54.824 1.00 50.01 H new ATOM 0 HA ASP A 54 -3.531 -16.133 54.131 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -5.171 -14.197 53.859 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -4.210 -13.624 52.511 1.00 11.40 H new ATOM 866 N ALA A 55 -1.479 -14.489 52.161 1.00 63.33 N ATOM 867 CA ALA A 55 -0.531 -14.659 51.063 1.00 75.40 C ATOM 868 C ALA A 55 0.576 -15.670 51.350 1.00 54.24 C ATOM 869 O ALA A 55 0.962 -16.430 50.462 1.00 42.04 O ATOM 870 CB ALA A 55 0.103 -13.309 50.728 1.00 14.55 C ATOM 0 H ALA A 55 -1.476 -13.564 52.590 1.00 63.33 H new ATOM 0 HA ALA A 55 -1.103 -15.052 50.223 1.00 75.40 H new ATOM 0 HB1 ALA A 55 0.811 -13.433 49.909 1.00 14.55 H new ATOM 0 HB2 ALA A 55 -0.675 -12.605 50.432 1.00 14.55 H new ATOM 0 HB3 ALA A 55 0.625 -12.925 51.604 1.00 14.55 H new ATOM 876 N GLN A 56 1.101 -15.677 52.572 1.00 13.12 N ATOM 877 CA GLN A 56 2.175 -16.611 52.889 1.00 70.45 C ATOM 878 C GLN A 56 1.703 -18.048 52.683 1.00 74.21 C ATOM 879 O GLN A 56 2.440 -18.893 52.176 1.00 61.33 O ATOM 880 CB GLN A 56 2.649 -16.402 54.331 1.00 75.40 C ATOM 881 CG GLN A 56 3.916 -17.227 54.587 1.00 42.42 C ATOM 882 CD GLN A 56 5.101 -16.588 53.869 1.00 1.22 C ATOM 883 OE1 GLN A 56 5.495 -15.469 54.196 1.00 75.44 O ATOM 884 NE2 GLN A 56 5.691 -17.233 52.900 1.00 25.51 N ATOM 0 H GLN A 56 0.812 -15.067 53.337 1.00 13.12 H new ATOM 0 HA GLN A 56 3.014 -16.424 52.218 1.00 70.45 H new ATOM 0 HB2 GLN A 56 2.850 -15.345 54.508 1.00 75.40 H new ATOM 0 HB3 GLN A 56 1.865 -16.698 55.028 1.00 75.40 H new ATOM 0 HG2 GLN A 56 4.115 -17.283 55.657 1.00 42.42 H new ATOM 0 HG3 GLN A 56 3.773 -18.249 54.235 1.00 42.42 H new ATOM 0 HE21 GLN A 56 5.363 -18.160 52.631 1.00 25.51 H new ATOM 0 HE22 GLN A 56 6.480 -16.810 52.412 1.00 25.51 H new ATOM 893 N ALA A 57 0.454 -18.298 53.069 1.00 41.45 N ATOM 894 CA ALA A 57 -0.162 -19.616 52.926 1.00 3.34 C ATOM 895 C ALA A 57 0.853 -20.748 53.117 1.00 45.42 C ATOM 896 O ALA A 57 1.051 -21.556 52.210 1.00 70.24 O ATOM 897 CB ALA A 57 -0.806 -19.736 51.543 1.00 15.43 C ATOM 0 H ALA A 57 -0.157 -17.597 53.488 1.00 41.45 H new ATOM 0 HA ALA A 57 -0.919 -19.712 53.704 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -1.264 -20.719 51.439 1.00 15.43 H new ATOM 0 HB2 ALA A 57 -1.569 -18.966 51.429 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -0.044 -19.608 50.774 1.00 15.43 H new ATOM 903 N PRO A 58 1.490 -20.836 54.257 1.00 72.22 N ATOM 904 CA PRO A 58 2.489 -21.915 54.524 1.00 5.45 C ATOM 905 C PRO A 58 1.861 -23.303 54.423 1.00 32.31 C ATOM 906 O PRO A 58 2.549 -24.296 54.186 1.00 74.14 O ATOM 907 CB PRO A 58 3.002 -21.615 55.946 1.00 52.14 C ATOM 908 CG PRO A 58 1.951 -20.745 56.561 1.00 51.21 C ATOM 909 CD PRO A 58 1.329 -19.946 55.416 1.00 1.22 C ATOM 0 HA PRO A 58 3.296 -21.923 53.791 1.00 5.45 H new ATOM 0 HB2 PRO A 58 3.139 -22.533 56.518 1.00 52.14 H new ATOM 0 HB3 PRO A 58 3.967 -21.109 55.919 1.00 52.14 H new ATOM 0 HG2 PRO A 58 1.197 -21.346 57.069 1.00 51.21 H new ATOM 0 HG3 PRO A 58 2.385 -20.080 57.308 1.00 51.21 H new ATOM 0 HD2 PRO A 58 0.280 -19.720 55.607 1.00 1.22 H new ATOM 0 HD3 PRO A 58 1.839 -18.994 55.266 1.00 1.22 H new ATOM 917 N LYS A 59 0.547 -23.357 54.628 1.00 51.24 N ATOM 918 CA LYS A 59 -0.193 -24.620 54.587 1.00 3.44 C ATOM 919 C LYS A 59 -0.964 -24.748 53.279 1.00 22.42 C ATOM 920 O LYS A 59 -0.960 -23.797 52.516 1.00 61.53 O ATOM 921 CB LYS A 59 -1.167 -24.666 55.767 1.00 35.24 C ATOM 922 CG LYS A 59 -0.373 -24.661 57.078 1.00 25.14 C ATOM 923 CD LYS A 59 -1.335 -24.679 58.275 1.00 31.13 C ATOM 924 CE LYS A 59 -2.058 -26.030 58.365 1.00 53.14 C ATOM 925 NZ LYS A 59 -2.541 -26.234 59.761 1.00 14.35 N ATOM 926 OXT LYS A 59 -1.550 -25.795 53.061 1.00 61.53 O ATOM 0 H LYS A 59 -0.030 -22.539 54.825 1.00 51.24 H new ATOM 0 HA LYS A 59 0.512 -25.449 54.653 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -1.839 -23.809 55.732 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -1.787 -25.560 55.707 1.00 35.24 H new ATOM 0 HG2 LYS A 59 0.286 -25.529 57.117 1.00 25.14 H new ATOM 0 HG3 LYS A 59 0.262 -23.776 57.125 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -0.782 -24.494 59.196 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -2.065 -23.876 58.174 1.00 31.13 H new ATOM 0 HE2 LYS A 59 -2.897 -26.054 57.670 1.00 53.14 H new ATOM 0 HE3 LYS A 59 -1.384 -26.837 58.079 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -3.032 -27.148 59.828 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -1.731 -26.227 60.413 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -3.197 -25.469 60.017 1.00 14.35 H new TER 940 LYS A 59