USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 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 Set 1.1: A 22 ASN : amide:sc= -4.3! C(o=-7.3!,f=-9!) USER MOD Set 1.2: A 53 ASN : amide:sc= -2.99! C(o=-7.3!,f=-13!) USER MOD Single : A 1 ASP N :NH3+ 168:sc= 0.00303 (180deg=-0.185) USER MOD Single : A 4 ASN : amide:sc= -6.25! C(o=-6.3!,f=-1.2!) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.252 (180deg=-0.913) USER MOD Single : A 7 ASN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.326 (180deg=-1.01) USER MOD Single : A 10 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.39) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 24 ASN : amide:sc= -6.97! C(o=-7!,f=-1.1!) USER MOD Single : A 27 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.7) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.29) USER MOD Single : A 34 SER OG : rot -54:sc= 0.421 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= -3.09! C(o=-3.1!,f=-5.3!) USER MOD Single : A 42 SER OG : rot -95:sc= -0.499 USER MOD Single : A 44 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.52) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc=-0.00519 (180deg=-0.202) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.6! C(o=-1.6!,f=-4.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -13.975 4.050 83.228 1.00 4.00 N ATOM 2 CA ASP A 1 -13.528 5.410 82.817 1.00 0.02 C ATOM 3 C ASP A 1 -12.051 5.592 83.152 1.00 22.23 C ATOM 4 O ASP A 1 -11.628 6.672 83.564 1.00 11.23 O ATOM 5 CB ASP A 1 -14.376 6.464 83.540 1.00 4.31 C ATOM 6 CG ASP A 1 -14.145 6.403 85.050 1.00 21.31 C ATOM 7 OD1 ASP A 1 -13.197 5.761 85.467 1.00 62.33 O ATOM 8 OD2 ASP A 1 -14.931 6.998 85.769 1.00 55.03 O ATOM 0 H1 ASP A 1 -15.013 3.999 83.188 1.00 4.00 H new ATOM 0 H2 ASP A 1 -13.569 3.342 82.584 1.00 4.00 H new ATOM 0 H3 ASP A 1 -13.656 3.858 84.199 1.00 4.00 H new ATOM 0 HA ASP A 1 -13.656 5.529 81.741 1.00 0.02 H new ATOM 0 HB2 ASP A 1 -14.124 7.457 83.169 1.00 4.31 H new ATOM 0 HB3 ASP A 1 -15.431 6.300 83.322 1.00 4.31 H new ATOM 15 N VAL A 2 -11.269 4.527 82.970 1.00 72.12 N ATOM 16 CA VAL A 2 -9.830 4.567 83.252 1.00 65.50 C ATOM 17 C VAL A 2 -9.043 4.046 82.055 1.00 40.21 C ATOM 18 O VAL A 2 -9.574 3.302 81.231 1.00 54.31 O ATOM 19 CB VAL A 2 -9.518 3.702 84.475 1.00 42.24 C ATOM 20 CG1 VAL A 2 -10.342 4.187 85.669 1.00 71.33 C ATOM 21 CG2 VAL A 2 -9.872 2.244 84.170 1.00 32.35 C ATOM 0 H VAL A 2 -11.606 3.626 82.629 1.00 72.12 H new ATOM 0 HA VAL A 2 -9.542 5.600 83.449 1.00 65.50 H new ATOM 0 HB VAL A 2 -8.457 3.778 84.712 1.00 42.24 H new ATOM 0 HG11 VAL A 2 -10.119 3.570 86.540 1.00 71.33 H new ATOM 0 HG12 VAL A 2 -10.092 5.225 85.886 1.00 71.33 H new ATOM 0 HG13 VAL A 2 -11.404 4.112 85.433 1.00 71.33 H new ATOM 0 HG21 VAL A 2 -9.650 1.626 85.040 1.00 32.35 H new ATOM 0 HG22 VAL A 2 -10.933 2.169 83.933 1.00 32.35 H new ATOM 0 HG23 VAL A 2 -9.285 1.897 83.320 1.00 32.35 H new ATOM 31 N ASP A 3 -7.776 4.441 81.964 1.00 64.54 N ATOM 32 CA ASP A 3 -6.928 4.000 80.862 1.00 51.40 C ATOM 33 C ASP A 3 -7.563 4.357 79.523 1.00 55.22 C ATOM 34 O ASP A 3 -7.622 3.526 78.618 1.00 31.52 O ATOM 35 CB ASP A 3 -6.703 2.486 80.939 1.00 2.12 C ATOM 36 CG ASP A 3 -5.919 2.137 82.199 1.00 2.21 C ATOM 37 OD1 ASP A 3 -5.364 3.044 82.798 1.00 31.33 O ATOM 38 OD2 ASP A 3 -5.885 0.969 82.547 1.00 53.33 O ATOM 0 H ASP A 3 -7.318 5.060 82.633 1.00 64.54 H new ATOM 0 HA ASP A 3 -5.968 4.509 80.944 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -7.662 1.968 80.943 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -6.160 2.146 80.057 1.00 2.12 H new ATOM 43 N ASN A 4 -8.047 5.594 79.401 1.00 21.22 N ATOM 44 CA ASN A 4 -8.685 6.030 78.160 1.00 74.53 C ATOM 45 C ASN A 4 -7.652 6.540 77.160 1.00 2.31 C ATOM 46 O ASN A 4 -8.002 7.009 76.076 1.00 73.04 O ATOM 47 CB ASN A 4 -9.711 7.129 78.462 1.00 35.42 C ATOM 48 CG ASN A 4 -9.014 8.438 78.835 1.00 15.25 C ATOM 49 OD1 ASN A 4 -9.676 9.458 79.024 1.00 73.42 O ATOM 50 ND2 ASN A 4 -7.717 8.468 78.977 1.00 41.51 N ATOM 0 H ASN A 4 -8.010 6.302 80.135 1.00 21.22 H new ATOM 0 HA ASN A 4 -9.191 5.173 77.716 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -10.348 7.287 77.592 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -10.360 6.812 79.279 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -7.253 9.336 79.244 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -7.167 7.623 78.821 1.00 41.51 H new ATOM 57 N LYS A 5 -6.378 6.410 77.513 1.00 24.34 N ATOM 58 CA LYS A 5 -5.303 6.823 76.621 1.00 63.52 C ATOM 59 C LYS A 5 -5.417 6.048 75.315 1.00 65.42 C ATOM 60 O LYS A 5 -5.102 6.552 74.236 1.00 22.02 O ATOM 61 CB LYS A 5 -3.941 6.560 77.267 1.00 32.14 C ATOM 62 CG LYS A 5 -3.789 7.442 78.509 1.00 62.41 C ATOM 63 CD LYS A 5 -2.431 7.178 79.179 1.00 65.43 C ATOM 64 CE LYS A 5 -1.274 7.670 78.293 1.00 5.34 C ATOM 65 NZ LYS A 5 -1.634 8.961 77.641 1.00 2.24 N ATOM 0 H LYS A 5 -6.067 6.025 78.404 1.00 24.34 H new ATOM 0 HA LYS A 5 -5.389 7.892 76.425 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -3.853 5.509 77.541 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -3.142 6.772 76.557 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -3.868 8.493 78.231 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -4.596 7.237 79.212 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -2.394 7.682 80.145 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -2.318 6.111 79.372 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -0.375 7.798 78.895 1.00 5.34 H new ATOM 0 HE3 LYS A 5 -1.046 6.922 77.533 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 -0.771 9.432 77.303 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -2.267 8.779 76.836 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -2.116 9.574 78.328 1.00 2.24 H new ATOM 79 N PHE A 6 -5.870 4.804 75.447 1.00 34.42 N ATOM 80 CA PHE A 6 -6.043 3.892 74.317 1.00 65.23 C ATOM 81 C PHE A 6 -7.512 3.501 74.198 1.00 31.13 C ATOM 82 O PHE A 6 -8.263 3.579 75.170 1.00 43.25 O ATOM 83 CB PHE A 6 -5.197 2.634 74.529 1.00 73.01 C ATOM 84 CG PHE A 6 -3.735 3.010 74.590 1.00 30.30 C ATOM 85 CD1 PHE A 6 -2.996 3.145 73.409 1.00 1.34 C ATOM 86 CD2 PHE A 6 -3.120 3.224 75.830 1.00 30.30 C ATOM 87 CE1 PHE A 6 -1.641 3.493 73.467 1.00 5.13 C ATOM 88 CE2 PHE A 6 -1.765 3.572 75.888 1.00 32.22 C ATOM 89 CZ PHE A 6 -1.026 3.707 74.706 1.00 14.35 C ATOM 0 H PHE A 6 -6.129 4.397 76.346 1.00 34.42 H new ATOM 0 HA PHE A 6 -5.722 4.391 73.403 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -5.493 2.136 75.452 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -5.368 1.928 73.716 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -3.471 2.981 72.453 1.00 1.34 H new ATOM 0 HD2 PHE A 6 -3.691 3.121 76.741 1.00 30.30 H new ATOM 0 HE1 PHE A 6 -1.070 3.596 72.556 1.00 5.13 H new ATOM 0 HE2 PHE A 6 -1.290 3.736 76.844 1.00 32.22 H new ATOM 0 HZ PHE A 6 0.019 3.976 74.751 1.00 14.35 H new ATOM 99 N ASN A 7 -7.927 3.098 72.999 1.00 24.33 N ATOM 100 CA ASN A 7 -9.320 2.717 72.763 1.00 2.44 C ATOM 101 C ASN A 7 -9.468 1.206 72.873 1.00 4.24 C ATOM 102 O ASN A 7 -8.588 0.452 72.460 1.00 63.22 O ATOM 103 CB ASN A 7 -9.754 3.171 71.368 1.00 1.34 C ATOM 104 CG ASN A 7 -9.617 4.685 71.246 1.00 61.41 C ATOM 105 OD1 ASN A 7 -9.110 5.185 70.241 1.00 31.24 O ATOM 106 ND2 ASN A 7 -10.043 5.450 72.214 1.00 44.11 N ATOM 0 H ASN A 7 -7.324 3.027 72.180 1.00 24.33 H new ATOM 0 HA ASN A 7 -9.950 3.198 73.511 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -9.143 2.680 70.610 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -10.787 2.875 71.185 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -9.956 6.464 72.139 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -10.463 5.034 73.046 1.00 44.11 H new ATOM 113 N LYS A 8 -10.569 0.771 73.472 1.00 61.30 N ATOM 114 CA LYS A 8 -10.794 -0.652 73.672 1.00 61.55 C ATOM 115 C LYS A 8 -10.768 -1.401 72.346 1.00 72.40 C ATOM 116 O LYS A 8 -10.273 -2.526 72.278 1.00 42.23 O ATOM 117 CB LYS A 8 -12.150 -0.864 74.348 1.00 32.14 C ATOM 118 CG LYS A 8 -12.122 -0.248 75.751 1.00 14.23 C ATOM 119 CD LYS A 8 -13.489 -0.426 76.433 1.00 51.30 C ATOM 120 CE LYS A 8 -13.761 -1.904 76.756 1.00 52.51 C ATOM 121 NZ LYS A 8 -12.523 -2.553 77.275 1.00 71.20 N ATOM 0 H LYS A 8 -11.311 1.376 73.824 1.00 61.30 H new ATOM 0 HA LYS A 8 -9.996 -1.041 74.304 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -12.940 -0.406 73.754 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -12.375 -1.929 74.411 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -11.344 -0.722 76.349 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -11.874 0.811 75.687 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -13.520 0.161 77.351 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -14.275 -0.042 75.783 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -14.558 -1.982 77.495 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -14.104 -2.422 75.861 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -12.776 -3.416 77.797 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -11.901 -2.800 76.479 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -12.027 -1.896 77.911 1.00 71.20 H new ATOM 135 N GLU A 9 -11.280 -0.782 71.288 1.00 72.23 N ATOM 136 CA GLU A 9 -11.269 -1.439 69.989 1.00 15.52 C ATOM 137 C GLU A 9 -9.832 -1.683 69.534 1.00 22.04 C ATOM 138 O GLU A 9 -9.533 -2.697 68.905 1.00 4.12 O ATOM 139 CB GLU A 9 -11.993 -0.572 68.956 1.00 2.22 C ATOM 140 CG GLU A 9 -13.470 -0.447 69.337 1.00 55.14 C ATOM 141 CD GLU A 9 -14.214 0.359 68.278 1.00 44.44 C ATOM 142 OE1 GLU A 9 -13.556 0.915 67.414 1.00 35.20 O ATOM 143 OE2 GLU A 9 -15.431 0.406 68.346 1.00 40.33 O ATOM 0 H GLU A 9 -11.697 0.149 71.302 1.00 72.23 H new ATOM 0 HA GLU A 9 -11.783 -2.396 70.079 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -11.534 0.416 68.909 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -11.899 -1.015 67.964 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -13.915 -1.438 69.431 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -13.564 0.039 70.308 1.00 55.14 H new ATOM 150 N GLN A 10 -8.943 -0.747 69.871 1.00 44.42 N ATOM 151 CA GLN A 10 -7.534 -0.875 69.508 1.00 55.14 C ATOM 152 C GLN A 10 -6.937 -2.148 70.092 1.00 44.55 C ATOM 153 O GLN A 10 -6.111 -2.810 69.460 1.00 74.40 O ATOM 154 CB GLN A 10 -6.749 0.344 70.002 1.00 42.31 C ATOM 155 CG GLN A 10 -5.325 0.300 69.440 1.00 54.11 C ATOM 156 CD GLN A 10 -4.513 1.465 69.992 1.00 24.14 C ATOM 157 OE1 GLN A 10 -3.306 1.548 69.759 1.00 71.44 O ATOM 158 NE2 GLN A 10 -5.108 2.381 70.705 1.00 70.02 N ATOM 0 H GLN A 10 -9.173 0.100 70.390 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.466 -0.929 68.421 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.247 1.261 69.688 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -6.721 0.354 71.092 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -4.849 -0.644 69.705 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -5.353 0.348 68.351 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -6.107 2.309 70.896 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -4.574 3.169 71.071 1.00 70.02 H new ATOM 167 N GLN A 11 -7.352 -2.481 71.309 1.00 23.31 N ATOM 168 CA GLN A 11 -6.839 -3.672 71.970 1.00 35.21 C ATOM 169 C GLN A 11 -7.082 -4.907 71.114 1.00 31.32 C ATOM 170 O GLN A 11 -6.237 -5.799 71.041 1.00 14.42 O ATOM 171 CB GLN A 11 -7.526 -3.848 73.326 1.00 43.44 C ATOM 172 CG GLN A 11 -6.845 -4.974 74.105 1.00 25.43 C ATOM 173 CD GLN A 11 -7.505 -5.135 75.471 1.00 5.02 C ATOM 174 OE1 GLN A 11 -8.348 -4.323 75.854 1.00 45.33 O ATOM 175 NE2 GLN A 11 -7.170 -6.139 76.234 1.00 62.12 N ATOM 0 H GLN A 11 -8.034 -1.950 71.851 1.00 23.31 H new ATOM 0 HA GLN A 11 -5.766 -3.551 72.116 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -7.477 -2.918 73.893 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -8.582 -4.078 73.183 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -6.914 -5.907 73.546 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -5.785 -4.753 74.228 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -6.472 -6.811 75.916 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -7.606 -6.252 77.149 1.00 62.12 H new ATOM 184 N ASN A 12 -8.238 -4.952 70.460 1.00 13.41 N ATOM 185 CA ASN A 12 -8.568 -6.082 69.609 1.00 72.10 C ATOM 186 C ASN A 12 -7.512 -6.299 68.538 1.00 64.04 C ATOM 187 O ASN A 12 -7.182 -7.437 68.201 1.00 71.12 O ATOM 188 CB ASN A 12 -9.921 -5.848 68.937 1.00 65.50 C ATOM 189 CG ASN A 12 -10.347 -7.098 68.174 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.291 -7.125 66.945 1.00 30.24 O ATOM 191 ND2 ASN A 12 -10.754 -8.145 68.832 1.00 22.34 N ATOM 0 H ASN A 12 -8.953 -4.226 70.504 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.610 -6.971 70.239 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.671 -5.597 69.687 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -9.856 -5.000 68.255 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -11.027 -8.989 68.329 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -10.800 -8.121 69.851 1.00 22.34 H new ATOM 198 N ALA A 13 -6.995 -5.206 67.984 1.00 31.21 N ATOM 199 CA ALA A 13 -5.999 -5.325 66.935 1.00 71.52 C ATOM 200 C ALA A 13 -4.725 -5.994 67.438 1.00 24.53 C ATOM 201 O ALA A 13 -4.110 -6.785 66.723 1.00 54.55 O ATOM 202 CB ALA A 13 -5.666 -3.928 66.393 1.00 63.24 C ATOM 0 H ALA A 13 -7.245 -4.250 68.239 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.413 -5.950 66.144 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -4.918 -4.012 65.605 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -6.569 -3.470 65.989 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.274 -3.309 67.200 1.00 63.24 H new ATOM 208 N PHE A 14 -4.325 -5.674 68.665 1.00 65.22 N ATOM 209 CA PHE A 14 -3.106 -6.261 69.215 1.00 35.44 C ATOM 210 C PHE A 14 -3.149 -7.774 69.320 1.00 4.41 C ATOM 211 O PHE A 14 -2.188 -8.458 68.968 1.00 71.43 O ATOM 212 CB PHE A 14 -2.882 -5.724 70.628 1.00 55.01 C ATOM 213 CG PHE A 14 -1.571 -6.250 71.163 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.379 -5.563 70.903 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.551 -7.430 71.934 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.834 -6.051 71.407 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.339 -7.913 72.436 1.00 42.42 C ATOM 218 CZ PHE A 14 0.854 -7.225 72.173 1.00 2.31 C ATOM 0 H PHE A 14 -4.813 -5.028 69.285 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.306 -5.989 68.526 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -2.872 -4.634 70.617 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.701 -6.029 71.279 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.394 -4.658 70.314 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.470 -7.960 72.136 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.754 -5.522 71.205 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.322 -8.817 73.027 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.790 -7.600 72.561 1.00 2.31 H new ATOM 228 N TRP A 15 -4.237 -8.288 69.865 1.00 12.23 N ATOM 229 CA TRP A 15 -4.339 -9.717 70.075 1.00 25.15 C ATOM 230 C TRP A 15 -4.230 -10.503 68.772 1.00 25.25 C ATOM 231 O TRP A 15 -3.622 -11.572 68.726 1.00 74.33 O ATOM 232 CB TRP A 15 -5.651 -10.060 70.775 1.00 34.13 C ATOM 233 CG TRP A 15 -5.559 -11.462 71.268 1.00 51.05 C ATOM 234 CD1 TRP A 15 -5.044 -11.787 72.469 1.00 42.54 C ATOM 235 CD2 TRP A 15 -5.938 -12.714 70.626 1.00 12.12 C ATOM 236 NE1 TRP A 15 -5.072 -13.149 72.615 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.623 -13.774 71.511 1.00 34.20 C ATOM 238 CE3 TRP A 15 -6.519 -13.035 69.385 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -5.874 -15.105 71.176 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -6.774 -14.375 69.046 1.00 73.32 C ATOM 241 CH2 TRP A 15 -6.453 -15.407 69.940 1.00 14.45 C ATOM 0 H TRP A 15 -5.048 -7.747 70.165 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.499 -10.006 70.707 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -5.830 -9.376 71.604 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -6.489 -9.953 70.087 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -4.669 -11.086 73.200 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -4.728 -13.643 73.439 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -6.770 -12.248 68.690 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -5.623 -15.896 71.867 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -7.220 -14.611 68.091 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -6.653 -16.434 69.674 1.00 14.45 H new ATOM 252 N GLU A 16 -4.866 -9.982 67.727 1.00 74.21 N ATOM 253 CA GLU A 16 -4.880 -10.660 66.435 1.00 41.10 C ATOM 254 C GLU A 16 -3.495 -10.800 65.816 1.00 51.32 C ATOM 255 O GLU A 16 -3.218 -11.795 65.146 1.00 41.00 O ATOM 256 CB GLU A 16 -5.803 -9.919 65.473 1.00 2.25 C ATOM 257 CG GLU A 16 -7.240 -9.993 65.996 1.00 70.52 C ATOM 258 CD GLU A 16 -8.194 -9.321 65.015 1.00 51.23 C ATOM 259 OE1 GLU A 16 -7.715 -8.702 64.080 1.00 0.43 O ATOM 260 OE2 GLU A 16 -9.392 -9.437 65.212 1.00 3.24 O ATOM 0 H GLU A 16 -5.375 -9.098 67.749 1.00 74.21 H new ATOM 0 HA GLU A 16 -5.249 -11.670 66.613 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -5.491 -8.879 65.379 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.742 -10.361 64.479 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.529 -11.034 66.140 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -7.306 -9.507 66.969 1.00 70.52 H new ATOM 267 N ILE A 17 -2.618 -9.820 66.021 1.00 1.12 N ATOM 268 CA ILE A 17 -1.288 -9.926 65.434 1.00 74.12 C ATOM 269 C ILE A 17 -0.615 -11.195 65.944 1.00 52.43 C ATOM 270 O ILE A 17 0.035 -11.914 65.185 1.00 71.24 O ATOM 271 CB ILE A 17 -0.426 -8.698 65.782 1.00 31.21 C ATOM 272 CG1 ILE A 17 -1.110 -7.390 65.339 1.00 21.11 C ATOM 273 CG2 ILE A 17 0.927 -8.816 65.078 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.646 -7.500 63.909 1.00 11.10 C ATOM 0 H ILE A 17 -2.794 -8.976 66.567 1.00 1.12 H new ATOM 0 HA ILE A 17 -1.388 -9.968 64.349 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.294 -8.669 66.864 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -1.929 -7.156 66.020 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.399 -6.566 65.401 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.541 -7.949 65.321 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.432 -9.723 65.410 1.00 5.42 H new ATOM 0 HG23 ILE A 17 0.773 -8.861 64.000 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -2.123 -6.562 63.626 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.822 -7.709 63.227 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -2.375 -8.308 63.855 1.00 11.10 H new ATOM 286 N LEU A 18 -0.797 -11.476 67.230 1.00 13.32 N ATOM 287 CA LEU A 18 -0.226 -12.677 67.828 1.00 64.35 C ATOM 288 C LEU A 18 -0.781 -13.937 67.169 1.00 73.55 C ATOM 289 O LEU A 18 -0.081 -14.942 67.041 1.00 1.11 O ATOM 290 CB LEU A 18 -0.551 -12.720 69.326 1.00 23.24 C ATOM 291 CG LEU A 18 -0.022 -11.463 70.036 1.00 32.10 C ATOM 292 CD1 LEU A 18 -0.263 -11.604 71.544 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.485 -11.287 69.774 1.00 62.50 C ATOM 0 H LEU A 18 -1.331 -10.893 67.874 1.00 13.32 H new ATOM 0 HA LEU A 18 0.853 -12.644 67.677 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.629 -12.796 69.467 1.00 23.24 H new ATOM 0 HB3 LEU A 18 -0.108 -13.610 69.773 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.547 -10.589 69.650 1.00 32.10 H new ATOM 0 HD11 LEU A 18 0.109 -10.717 72.056 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.331 -11.711 71.733 1.00 51.45 H new ATOM 0 HD13 LEU A 18 0.261 -12.484 71.916 1.00 51.45 H new ATOM 0 HD21 LEU A 18 1.841 -10.392 70.285 1.00 62.50 H new ATOM 0 HD22 LEU A 18 2.024 -12.157 70.149 1.00 62.50 H new ATOM 0 HD23 LEU A 18 1.659 -11.187 68.703 1.00 62.50 H new ATOM 305 N HIS A 19 -2.056 -13.889 66.797 1.00 44.31 N ATOM 306 CA HIS A 19 -2.710 -15.051 66.205 1.00 21.24 C ATOM 307 C HIS A 19 -2.035 -15.549 64.924 1.00 30.12 C ATOM 308 O HIS A 19 -1.849 -16.746 64.771 1.00 12.43 O ATOM 309 CB HIS A 19 -4.168 -14.711 65.896 1.00 12.43 C ATOM 310 CG HIS A 19 -4.869 -15.938 65.383 1.00 42.34 C ATOM 311 ND1 HIS A 19 -5.086 -17.052 66.179 1.00 65.23 N ATOM 312 CD2 HIS A 19 -5.407 -16.244 64.157 1.00 34.10 C ATOM 313 CE1 HIS A 19 -5.728 -17.967 65.430 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.948 -17.526 64.189 1.00 31.43 N ATOM 0 H HIS A 19 -2.652 -13.067 66.893 1.00 44.31 H new ATOM 0 HA HIS A 19 -2.635 -15.854 66.938 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.665 -14.343 66.794 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -4.218 -13.914 65.155 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -5.410 -15.589 63.298 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -6.029 -18.940 65.789 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -6.413 -18.022 63.428 1.00 31.43 H new ATOM 323 N LEU A 20 -1.671 -14.630 64.023 1.00 53.41 N ATOM 324 CA LEU A 20 -1.041 -14.997 62.733 1.00 33.53 C ATOM 325 C LEU A 20 -0.113 -16.213 62.885 1.00 54.01 C ATOM 326 O LEU A 20 1.070 -16.037 63.177 1.00 31.14 O ATOM 327 CB LEU A 20 -0.208 -13.813 62.200 1.00 25.23 C ATOM 328 CG LEU A 20 -0.993 -12.493 62.304 1.00 15.11 C ATOM 329 CD1 LEU A 20 -0.091 -11.323 61.905 1.00 11.51 C ATOM 330 CD2 LEU A 20 -2.197 -12.529 61.364 1.00 14.15 C ATOM 0 H LEU A 20 -1.798 -13.627 64.155 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.842 -15.247 62.037 1.00 33.53 H new ATOM 0 HB2 LEU A 20 0.720 -13.733 62.766 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.067 -13.996 61.161 1.00 25.23 H new ATOM 0 HG LEU A 20 -1.332 -12.366 63.332 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.650 -10.390 61.980 1.00 11.51 H new ATOM 0 HD12 LEU A 20 0.771 -11.284 62.572 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.250 -11.460 60.879 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.748 -11.592 61.443 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -1.854 -12.663 60.338 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.849 -13.358 61.640 1.00 14.15 H new ATOM 342 N PRO A 21 -0.597 -17.447 62.745 1.00 5.43 N ATOM 343 CA PRO A 21 0.289 -18.637 62.954 1.00 4.55 C ATOM 344 C PRO A 21 1.402 -18.748 61.907 1.00 42.01 C ATOM 345 O PRO A 21 2.527 -19.146 62.210 1.00 40.55 O ATOM 346 CB PRO A 21 -0.683 -19.830 62.883 1.00 51.03 C ATOM 347 CG PRO A 21 -1.816 -19.358 62.029 1.00 52.01 C ATOM 348 CD PRO A 21 -1.964 -17.853 62.302 1.00 10.12 C ATOM 0 HA PRO A 21 0.828 -18.580 63.899 1.00 4.55 H new ATOM 0 HB2 PRO A 21 -0.201 -20.706 62.450 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -1.030 -20.116 63.876 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.612 -19.544 60.975 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.735 -19.890 62.274 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -2.275 -17.311 61.409 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.711 -17.655 63.071 1.00 10.12 H new ATOM 356 N ASN A 22 1.054 -18.397 60.673 1.00 21.44 N ATOM 357 CA ASN A 22 1.989 -18.453 59.552 1.00 1.13 C ATOM 358 C ASN A 22 3.219 -17.583 59.771 1.00 54.44 C ATOM 359 O ASN A 22 4.306 -17.898 59.286 1.00 64.32 O ATOM 360 CB ASN A 22 1.287 -18.020 58.267 1.00 64.41 C ATOM 361 CG ASN A 22 0.173 -19.005 57.928 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.151 -20.121 58.447 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.755 -18.661 57.076 1.00 41.12 N ATOM 0 H ASN A 22 0.122 -18.067 60.422 1.00 21.44 H new ATOM 0 HA ASN A 22 2.327 -19.486 59.471 1.00 1.13 H new ATOM 0 HB2 ASN A 22 0.875 -17.018 58.387 1.00 64.41 H new ATOM 0 HB3 ASN A 22 2.005 -17.973 57.448 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.499 -19.317 56.840 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.736 -17.736 56.647 1.00 41.12 H new ATOM 370 N LEU A 23 3.028 -16.452 60.445 1.00 72.44 N ATOM 371 CA LEU A 23 4.122 -15.503 60.650 1.00 24.15 C ATOM 372 C LEU A 23 4.874 -15.763 61.946 1.00 4.35 C ATOM 373 O LEU A 23 4.278 -16.102 62.968 1.00 20.33 O ATOM 374 CB LEU A 23 3.574 -14.076 60.715 1.00 62.31 C ATOM 375 CG LEU A 23 2.723 -13.738 59.481 1.00 5.24 C ATOM 376 CD1 LEU A 23 2.345 -12.246 59.515 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.491 -14.056 58.192 1.00 50.21 C ATOM 0 H LEU A 23 2.137 -16.171 60.855 1.00 72.44 H new ATOM 0 HA LEU A 23 4.804 -15.629 59.809 1.00 24.15 H new ATOM 0 HB2 LEU A 23 2.972 -13.958 61.616 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.402 -13.371 60.790 1.00 62.31 H new ATOM 0 HG LEU A 23 1.817 -14.344 59.498 1.00 5.24 H new ATOM 0 HD11 LEU A 23 1.741 -12.004 58.640 1.00 2.41 H new ATOM 0 HD12 LEU A 23 1.774 -12.036 60.420 1.00 2.41 H new ATOM 0 HD13 LEU A 23 3.252 -11.641 59.509 1.00 2.41 H new ATOM 0 HD21 LEU A 23 2.872 -13.810 57.329 1.00 50.21 H new ATOM 0 HD22 LEU A 23 4.408 -13.468 58.160 1.00 50.21 H new ATOM 0 HD23 LEU A 23 3.740 -15.117 58.169 1.00 50.21 H new ATOM 389 N ASN A 24 6.193 -15.558 61.903 1.00 53.33 N ATOM 390 CA ASN A 24 7.019 -15.729 63.090 1.00 34.12 C ATOM 391 C ASN A 24 6.942 -14.455 63.927 1.00 21.20 C ATOM 392 O ASN A 24 6.365 -13.457 63.493 1.00 4.03 O ATOM 393 CB ASN A 24 8.473 -16.047 62.712 1.00 54.45 C ATOM 394 CG ASN A 24 9.165 -14.837 62.090 1.00 14.24 C ATOM 395 OD1 ASN A 24 10.346 -14.908 61.751 1.00 52.10 O ATOM 396 ND2 ASN A 24 8.505 -13.731 61.904 1.00 10.10 N ATOM 0 H ASN A 24 6.703 -15.276 61.066 1.00 53.33 H new ATOM 0 HA ASN A 24 6.646 -16.573 63.671 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.020 -16.364 63.600 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.494 -16.881 62.010 1.00 54.45 H new ATOM 0 HD21 ASN A 24 8.967 -12.927 61.479 1.00 10.10 H new ATOM 0 HD22 ASN A 24 7.526 -13.668 62.184 1.00 10.10 H new ATOM 403 N GLU A 25 7.478 -14.500 65.131 1.00 2.50 N ATOM 404 CA GLU A 25 7.412 -13.350 66.025 1.00 70.01 C ATOM 405 C GLU A 25 8.049 -12.080 65.436 1.00 23.41 C ATOM 406 O GLU A 25 7.589 -10.977 65.733 1.00 54.44 O ATOM 407 CB GLU A 25 8.107 -13.709 67.347 1.00 41.34 C ATOM 408 CG GLU A 25 7.937 -12.580 68.374 1.00 14.41 C ATOM 409 CD GLU A 25 6.479 -12.487 68.807 1.00 31.22 C ATOM 410 OE1 GLU A 25 5.788 -13.487 68.709 1.00 60.43 O ATOM 411 OE2 GLU A 25 6.075 -11.417 69.233 1.00 53.54 O ATOM 0 H GLU A 25 7.962 -15.312 65.515 1.00 2.50 H new ATOM 0 HA GLU A 25 6.358 -13.123 66.182 1.00 70.01 H new ATOM 0 HB2 GLU A 25 7.689 -14.634 67.744 1.00 41.34 H new ATOM 0 HB3 GLU A 25 9.167 -13.889 67.169 1.00 41.34 H new ATOM 0 HG2 GLU A 25 8.571 -12.766 69.241 1.00 14.41 H new ATOM 0 HG3 GLU A 25 8.258 -11.632 67.942 1.00 14.41 H new ATOM 418 N GLU A 26 9.126 -12.200 64.658 1.00 15.03 N ATOM 419 CA GLU A 26 9.778 -10.988 64.143 1.00 73.00 C ATOM 420 C GLU A 26 8.876 -10.158 63.219 1.00 60.10 C ATOM 421 O GLU A 26 8.891 -8.923 63.284 1.00 20.24 O ATOM 422 CB GLU A 26 11.048 -11.379 63.376 1.00 33.15 C ATOM 423 CG GLU A 26 12.083 -12.007 64.322 1.00 23.24 C ATOM 424 CD GLU A 26 12.516 -11.013 65.398 1.00 21.30 C ATOM 425 OE1 GLU A 26 12.306 -9.826 65.205 1.00 33.33 O ATOM 426 OE2 GLU A 26 13.070 -11.453 66.392 1.00 64.52 O ATOM 0 H GLU A 26 9.553 -13.083 64.378 1.00 15.03 H new ATOM 0 HA GLU A 26 10.012 -10.368 65.008 1.00 73.00 H new ATOM 0 HB2 GLU A 26 10.797 -12.084 62.584 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.474 -10.498 62.896 1.00 33.15 H new ATOM 0 HG2 GLU A 26 11.660 -12.895 64.791 1.00 23.24 H new ATOM 0 HG3 GLU A 26 12.953 -12.332 63.751 1.00 23.24 H new ATOM 433 N GLN A 27 8.061 -10.806 62.387 1.00 53.11 N ATOM 434 CA GLN A 27 7.164 -10.040 61.525 1.00 10.33 C ATOM 435 C GLN A 27 6.194 -9.217 62.348 1.00 42.41 C ATOM 436 O GLN A 27 5.832 -8.102 61.974 1.00 34.43 O ATOM 437 CB GLN A 27 6.360 -10.959 60.604 1.00 64.43 C ATOM 438 CG GLN A 27 7.271 -11.706 59.625 1.00 31.30 C ATOM 439 CD GLN A 27 7.874 -10.732 58.616 1.00 54.30 C ATOM 440 OE1 GLN A 27 8.799 -9.987 58.938 1.00 43.24 O ATOM 441 NE2 GLN A 27 7.376 -10.677 57.409 1.00 5.41 N ATOM 0 H GLN A 27 8.003 -11.820 62.292 1.00 53.11 H new ATOM 0 HA GLN A 27 7.789 -9.381 60.923 1.00 10.33 H new ATOM 0 HB2 GLN A 27 5.800 -11.677 61.203 1.00 64.43 H new ATOM 0 HB3 GLN A 27 5.630 -10.371 60.048 1.00 64.43 H new ATOM 0 HG2 GLN A 27 8.066 -12.213 60.172 1.00 31.30 H new ATOM 0 HG3 GLN A 27 6.702 -12.476 59.103 1.00 31.30 H new ATOM 0 HE21 GLN A 27 6.609 -11.296 57.145 1.00 5.41 H new ATOM 0 HE22 GLN A 27 7.754 -10.015 56.731 1.00 5.41 H new ATOM 450 N ARG A 28 5.753 -9.790 63.461 1.00 62.14 N ATOM 451 CA ARG A 28 4.797 -9.106 64.308 1.00 4.15 C ATOM 452 C ARG A 28 5.347 -7.784 64.803 1.00 35.40 C ATOM 453 O ARG A 28 4.624 -6.793 64.892 1.00 32.24 O ATOM 454 CB ARG A 28 4.471 -9.990 65.504 1.00 51.12 C ATOM 455 CG ARG A 28 3.798 -11.269 65.016 1.00 62.14 C ATOM 456 CD ARG A 28 3.381 -12.100 66.222 1.00 71.02 C ATOM 457 NE ARG A 28 2.903 -13.411 65.793 1.00 31.13 N ATOM 458 CZ ARG A 28 2.884 -14.445 66.627 1.00 54.21 C ATOM 459 NH1 ARG A 28 3.297 -14.298 67.857 1.00 41.20 N ATOM 460 NH2 ARG A 28 2.453 -15.606 66.217 1.00 12.35 N ATOM 0 H ARG A 28 6.039 -10.712 63.791 1.00 62.14 H new ATOM 0 HA ARG A 28 3.900 -8.906 63.722 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.382 -10.231 66.052 1.00 51.12 H new ATOM 0 HB3 ARG A 28 3.814 -9.460 66.194 1.00 51.12 H new ATOM 0 HG2 ARG A 28 2.928 -11.027 64.406 1.00 62.14 H new ATOM 0 HG3 ARG A 28 4.482 -11.837 64.385 1.00 62.14 H new ATOM 0 HD2 ARG A 28 4.226 -12.218 66.901 1.00 71.02 H new ATOM 0 HD3 ARG A 28 2.597 -11.583 66.775 1.00 71.02 H new ATOM 0 HE ARG A 28 2.577 -13.536 64.834 1.00 31.13 H new ATOM 0 HH11 ARG A 28 3.634 -13.390 68.177 1.00 41.20 H new ATOM 0 HH12 ARG A 28 3.283 -15.091 68.498 1.00 41.20 H new ATOM 0 HH21 ARG A 28 2.131 -15.720 65.256 1.00 12.35 H new ATOM 0 HH22 ARG A 28 2.438 -16.400 66.857 1.00 12.35 H new ATOM 474 N ASN A 29 6.636 -7.769 65.121 1.00 24.15 N ATOM 475 CA ASN A 29 7.252 -6.547 65.598 1.00 60.44 C ATOM 476 C ASN A 29 7.117 -5.434 64.580 1.00 75.34 C ATOM 477 O ASN A 29 6.915 -4.275 64.943 1.00 70.51 O ATOM 478 CB ASN A 29 8.724 -6.759 65.936 1.00 73.24 C ATOM 479 CG ASN A 29 9.253 -5.503 66.613 1.00 64.23 C ATOM 480 OD1 ASN A 29 10.010 -4.740 66.013 1.00 23.13 O ATOM 481 ND2 ASN A 29 8.868 -5.229 67.829 1.00 22.23 N ATOM 0 H ASN A 29 7.260 -8.573 65.058 1.00 24.15 H new ATOM 0 HA ASN A 29 6.726 -6.258 66.508 1.00 60.44 H new ATOM 0 HB2 ASN A 29 8.841 -7.621 66.593 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.293 -6.969 65.031 1.00 73.24 H new ATOM 0 HD21 ASN A 29 9.194 -4.378 68.288 1.00 22.23 H new ATOM 0 HD22 ASN A 29 8.241 -5.865 68.321 1.00 22.23 H new ATOM 488 N GLY A 30 7.253 -5.775 63.299 1.00 62.31 N ATOM 489 CA GLY A 30 7.164 -4.745 62.276 1.00 31.33 C ATOM 490 C GLY A 30 5.842 -4.000 62.367 1.00 73.22 C ATOM 491 O GLY A 30 5.809 -2.775 62.261 1.00 3.32 O ATOM 0 H GLY A 30 7.419 -6.722 62.957 1.00 62.31 H new ATOM 0 HA2 GLY A 30 7.990 -4.043 62.389 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.263 -5.198 61.289 1.00 31.33 H new ATOM 495 N PHE A 31 4.752 -4.727 62.617 1.00 73.50 N ATOM 496 CA PHE A 31 3.466 -4.068 62.771 1.00 73.42 C ATOM 497 C PHE A 31 3.457 -3.137 63.974 1.00 41.15 C ATOM 498 O PHE A 31 2.883 -2.049 63.919 1.00 74.33 O ATOM 499 CB PHE A 31 2.309 -5.080 62.849 1.00 34.44 C ATOM 500 CG PHE A 31 2.137 -5.739 61.497 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.484 -5.034 60.480 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.658 -7.015 61.238 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.339 -5.601 59.212 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.517 -7.581 59.964 1.00 64.45 C ATOM 505 CZ PHE A 31 1.856 -6.872 58.952 1.00 32.21 C ATOM 0 H PHE A 31 4.736 -5.742 62.714 1.00 73.50 H new ATOM 0 HA PHE A 31 3.311 -3.462 61.878 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.517 -5.832 63.610 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.388 -4.576 63.142 1.00 34.44 H new ATOM 0 HD1 PHE A 31 1.091 -4.048 60.676 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.167 -7.560 62.019 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.827 -5.057 58.432 1.00 24.35 H new ATOM 0 HE2 PHE A 31 2.918 -8.563 59.762 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.746 -7.309 57.970 1.00 32.21 H new ATOM 515 N ILE A 32 4.078 -3.565 65.072 1.00 5.31 N ATOM 516 CA ILE A 32 4.096 -2.735 66.267 1.00 13.12 C ATOM 517 C ILE A 32 4.759 -1.388 66.016 1.00 53.33 C ATOM 518 O ILE A 32 4.290 -0.363 66.503 1.00 22.52 O ATOM 519 CB ILE A 32 4.834 -3.426 67.415 1.00 3.21 C ATOM 520 CG1 ILE A 32 4.146 -4.756 67.742 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.794 -2.502 68.645 1.00 2.52 C ATOM 522 CD1 ILE A 32 4.950 -5.521 68.800 1.00 12.55 C ATOM 0 H ILE A 32 4.563 -4.459 65.156 1.00 5.31 H new ATOM 0 HA ILE A 32 3.052 -2.577 66.539 1.00 13.12 H new ATOM 0 HB ILE A 32 5.868 -3.625 67.132 1.00 3.21 H new ATOM 0 HG12 ILE A 32 3.135 -4.571 68.106 1.00 51.24 H new ATOM 0 HG13 ILE A 32 4.054 -5.358 66.838 1.00 51.24 H new ATOM 0 HG21 ILE A 32 5.316 -2.978 69.475 1.00 2.52 H new ATOM 0 HG22 ILE A 32 5.280 -1.556 68.406 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.758 -2.316 68.927 1.00 2.52 H new ATOM 0 HD11 ILE A 32 4.452 -6.464 69.024 1.00 12.55 H new ATOM 0 HD12 ILE A 32 5.952 -5.721 68.421 1.00 12.55 H new ATOM 0 HD13 ILE A 32 5.019 -4.922 69.708 1.00 12.55 H new ATOM 534 N GLN A 33 5.875 -1.383 65.290 1.00 33.25 N ATOM 535 CA GLN A 33 6.560 -0.120 65.066 1.00 44.43 C ATOM 536 C GLN A 33 5.645 0.850 64.331 1.00 41.02 C ATOM 537 O GLN A 33 5.604 2.048 64.634 1.00 62.52 O ATOM 538 CB GLN A 33 7.817 -0.354 64.219 1.00 11.33 C ATOM 539 CG GLN A 33 8.784 -1.302 64.942 1.00 23.13 C ATOM 540 CD GLN A 33 9.188 -0.736 66.299 1.00 61.31 C ATOM 541 OE1 GLN A 33 9.568 0.430 66.402 1.00 3.21 O ATOM 542 NE2 GLN A 33 9.140 -1.508 67.352 1.00 22.34 N ATOM 0 H GLN A 33 6.307 -2.203 64.864 1.00 33.25 H new ATOM 0 HA GLN A 33 6.837 0.301 66.032 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.539 -0.776 63.253 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.311 0.597 64.021 1.00 11.33 H new ATOM 0 HG2 GLN A 33 8.313 -2.276 65.075 1.00 23.13 H new ATOM 0 HG3 GLN A 33 9.672 -1.458 64.330 1.00 23.13 H new ATOM 0 HE21 GLN A 33 8.824 -2.474 67.262 1.00 22.34 H new ATOM 0 HE22 GLN A 33 9.418 -1.145 68.264 1.00 22.34 H new ATOM 551 N SER A 34 4.886 0.320 63.378 1.00 11.43 N ATOM 552 CA SER A 34 3.959 1.148 62.637 1.00 62.44 C ATOM 553 C SER A 34 2.862 1.683 63.542 1.00 44.14 C ATOM 554 O SER A 34 2.341 2.776 63.320 1.00 31.42 O ATOM 555 CB SER A 34 3.342 0.341 61.494 1.00 73.44 C ATOM 556 OG SER A 34 2.504 -0.672 62.035 1.00 55.11 O ATOM 0 H SER A 34 4.897 -0.664 63.108 1.00 11.43 H new ATOM 0 HA SER A 34 4.509 1.996 62.229 1.00 62.44 H new ATOM 0 HB2 SER A 34 2.765 0.996 60.841 1.00 73.44 H new ATOM 0 HB3 SER A 34 4.127 -0.107 60.884 1.00 73.44 H new ATOM 0 HG SER A 34 3.012 -1.206 62.682 1.00 55.11 H new ATOM 562 N LEU A 35 2.502 0.901 64.562 1.00 61.32 N ATOM 563 CA LEU A 35 1.449 1.332 65.468 1.00 34.02 C ATOM 564 C LEU A 35 1.830 2.629 66.161 1.00 42.43 C ATOM 565 O LEU A 35 0.999 3.520 66.327 1.00 22.40 O ATOM 566 CB LEU A 35 1.203 0.234 66.521 1.00 22.42 C ATOM 567 CG LEU A 35 0.033 0.596 67.454 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.304 0.459 66.722 1.00 32.21 C ATOM 569 CD2 LEU A 35 0.042 -0.353 68.656 1.00 41.21 C ATOM 0 H LEU A 35 2.914 -0.008 64.774 1.00 61.32 H new ATOM 0 HA LEU A 35 0.540 1.505 64.892 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.991 -0.711 66.020 1.00 22.42 H new ATOM 0 HB3 LEU A 35 2.107 0.086 67.111 1.00 22.42 H new ATOM 0 HG LEU A 35 0.151 1.629 67.782 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.118 0.719 67.399 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.319 1.129 65.862 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.429 -0.569 66.383 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -0.784 -0.104 69.323 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.069 -1.380 68.309 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.985 -0.251 69.193 1.00 41.21 H new ATOM 581 N LYS A 36 3.093 2.733 66.565 1.00 14.21 N ATOM 582 CA LYS A 36 3.542 3.942 67.235 1.00 33.34 C ATOM 583 C LYS A 36 3.408 5.182 66.356 1.00 11.12 C ATOM 584 O LYS A 36 3.069 6.261 66.843 1.00 20.33 O ATOM 585 CB LYS A 36 5.002 3.784 67.665 1.00 73.11 C ATOM 586 CG LYS A 36 5.113 2.670 68.707 1.00 31.42 C ATOM 587 CD LYS A 36 6.552 2.594 69.220 1.00 4.15 C ATOM 588 CE LYS A 36 6.695 1.405 70.172 1.00 25.42 C ATOM 589 NZ LYS A 36 7.962 1.538 70.945 1.00 71.12 N ATOM 0 H LYS A 36 3.805 2.013 66.443 1.00 14.21 H new ATOM 0 HA LYS A 36 2.901 4.083 68.105 1.00 33.34 H new ATOM 0 HB2 LYS A 36 5.623 3.550 66.800 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.373 4.721 68.079 1.00 73.11 H new ATOM 0 HG2 LYS A 36 4.430 2.862 69.535 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.821 1.716 68.268 1.00 31.42 H new ATOM 0 HD2 LYS A 36 7.242 2.488 68.383 1.00 4.15 H new ATOM 0 HD3 LYS A 36 6.815 3.518 69.734 1.00 4.15 H new ATOM 0 HE2 LYS A 36 5.844 1.365 70.852 1.00 25.42 H new ATOM 0 HE3 LYS A 36 6.696 0.472 69.608 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 8.060 0.730 71.592 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 8.769 1.556 70.289 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 7.943 2.421 71.494 1.00 71.12 H new ATOM 603 N ASP A 37 3.715 5.038 65.064 1.00 24.34 N ATOM 604 CA ASP A 37 3.655 6.192 64.165 1.00 34.10 C ATOM 605 C ASP A 37 2.263 6.825 64.068 1.00 0.00 C ATOM 606 O ASP A 37 2.133 8.049 64.053 1.00 4.30 O ATOM 607 CB ASP A 37 4.102 5.760 62.767 1.00 73.02 C ATOM 608 CG ASP A 37 4.272 6.983 61.872 1.00 31.53 C ATOM 609 OD1 ASP A 37 4.145 8.085 62.378 1.00 40.14 O ATOM 610 OD2 ASP A 37 4.527 6.799 60.693 1.00 72.31 O ATOM 0 H ASP A 37 3.999 4.161 64.627 1.00 24.34 H new ATOM 0 HA ASP A 37 4.318 6.949 64.583 1.00 34.10 H new ATOM 0 HB2 ASP A 37 5.042 5.212 62.830 1.00 73.02 H new ATOM 0 HB3 ASP A 37 3.366 5.082 62.334 1.00 73.02 H new ATOM 615 N ASP A 38 1.225 5.988 63.996 1.00 14.53 N ATOM 616 CA ASP A 38 -0.160 6.477 63.893 1.00 52.01 C ATOM 617 C ASP A 38 -1.111 5.680 64.789 1.00 55.12 C ATOM 618 O ASP A 38 -1.844 4.836 64.274 1.00 54.45 O ATOM 619 CB ASP A 38 -0.623 6.371 62.439 1.00 64.33 C ATOM 620 CG ASP A 38 -1.872 7.223 62.225 1.00 75.33 C ATOM 621 OD1 ASP A 38 -2.715 7.232 63.106 1.00 43.12 O ATOM 622 OD2 ASP A 38 -1.963 7.854 61.185 1.00 43.15 O ATOM 0 H ASP A 38 1.312 4.972 64.007 1.00 14.53 H new ATOM 0 HA ASP A 38 -0.179 7.515 64.225 1.00 52.01 H new ATOM 0 HB2 ASP A 38 0.172 6.702 61.771 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -0.835 5.331 62.191 1.00 64.33 H new ATOM 627 N PRO A 39 -1.137 5.864 66.082 1.00 2.35 N ATOM 628 CA PRO A 39 -2.057 5.045 66.924 1.00 63.52 C ATOM 629 C PRO A 39 -3.531 5.191 66.507 1.00 2.21 C ATOM 630 O PRO A 39 -4.305 4.239 66.621 1.00 61.23 O ATOM 631 CB PRO A 39 -1.805 5.561 68.361 1.00 53.14 C ATOM 632 CG PRO A 39 -1.117 6.887 68.200 1.00 51.34 C ATOM 633 CD PRO A 39 -0.349 6.819 66.879 1.00 64.23 C ATOM 0 HA PRO A 39 -1.862 3.977 66.822 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -2.741 5.669 68.908 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.185 4.864 68.925 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -1.842 7.701 68.186 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.440 7.077 69.033 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.290 7.795 66.396 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.674 6.474 67.025 1.00 64.23 H new ATOM 641 N SER A 40 -3.915 6.367 66.007 1.00 4.33 N ATOM 642 CA SER A 40 -5.299 6.580 65.564 1.00 13.21 C ATOM 643 C SER A 40 -5.688 5.622 64.433 1.00 51.10 C ATOM 644 O SER A 40 -6.820 5.146 64.358 1.00 32.13 O ATOM 645 CB SER A 40 -5.470 8.023 65.086 1.00 51.14 C ATOM 646 OG SER A 40 -5.061 8.910 66.118 1.00 23.14 O ATOM 0 H SER A 40 -3.302 7.175 65.899 1.00 4.33 H new ATOM 0 HA SER A 40 -5.953 6.384 66.413 1.00 13.21 H new ATOM 0 HB2 SER A 40 -4.877 8.194 64.188 1.00 51.14 H new ATOM 0 HB3 SER A 40 -6.511 8.210 64.821 1.00 51.14 H new ATOM 0 HG SER A 40 -5.167 9.836 65.815 1.00 23.14 H new ATOM 652 N GLN A 41 -4.723 5.364 63.552 1.00 64.11 N ATOM 653 CA GLN A 41 -4.902 4.483 62.391 1.00 21.21 C ATOM 654 C GLN A 41 -4.614 3.025 62.683 1.00 63.34 C ATOM 655 O GLN A 41 -4.427 2.240 61.755 1.00 64.12 O ATOM 656 CB GLN A 41 -4.078 4.953 61.197 1.00 4.21 C ATOM 657 CG GLN A 41 -4.586 6.323 60.758 1.00 53.11 C ATOM 658 CD GLN A 41 -3.771 6.837 59.583 1.00 73.40 C ATOM 659 OE1 GLN A 41 -2.619 6.442 59.396 1.00 23.22 O ATOM 660 NE2 GLN A 41 -4.337 7.645 58.732 1.00 31.31 N ATOM 0 H GLN A 41 -3.786 5.762 63.621 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.961 4.551 62.142 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -3.023 5.010 61.465 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -4.160 4.239 60.377 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -5.637 6.256 60.478 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -4.522 7.026 61.589 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -5.291 7.968 58.893 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -3.826 7.954 57.905 1.00 31.31 H new ATOM 669 N SER A 42 -4.527 2.654 63.943 1.00 22.41 N ATOM 670 CA SER A 42 -4.195 1.278 64.256 1.00 32.10 C ATOM 671 C SER A 42 -5.196 0.337 63.610 1.00 23.14 C ATOM 672 O SER A 42 -4.839 -0.780 63.237 1.00 21.14 O ATOM 673 CB SER A 42 -4.253 1.077 65.766 1.00 2.01 C ATOM 674 OG SER A 42 -5.604 1.195 66.193 1.00 23.11 O ATOM 0 H SER A 42 -4.676 3.264 64.747 1.00 22.41 H new ATOM 0 HA SER A 42 -3.195 1.065 63.879 1.00 32.10 H new ATOM 0 HB2 SER A 42 -3.858 0.097 66.032 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.632 1.818 66.269 1.00 2.01 H new ATOM 0 HG SER A 42 -5.775 2.114 66.489 1.00 23.11 H new ATOM 680 N ALA A 43 -6.433 0.778 63.441 1.00 65.21 N ATOM 681 CA ALA A 43 -7.403 -0.085 62.792 1.00 63.33 C ATOM 682 C ALA A 43 -6.992 -0.357 61.345 1.00 54.34 C ATOM 683 O ALA A 43 -7.075 -1.490 60.862 1.00 22.33 O ATOM 684 CB ALA A 43 -8.767 0.602 62.795 1.00 1.04 C ATOM 0 H ALA A 43 -6.779 1.692 63.732 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.451 -1.029 63.334 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.500 -0.042 62.309 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.076 0.792 63.823 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.700 1.547 62.256 1.00 1.04 H new ATOM 690 N ASN A 44 -6.530 0.694 60.657 1.00 0.42 N ATOM 691 CA ASN A 44 -6.099 0.541 59.272 1.00 64.12 C ATOM 692 C ASN A 44 -4.949 -0.455 59.157 1.00 64.33 C ATOM 693 O ASN A 44 -4.884 -1.247 58.218 1.00 73.11 O ATOM 694 CB ASN A 44 -5.637 1.895 58.731 1.00 33.42 C ATOM 695 CG ASN A 44 -6.781 2.907 58.759 1.00 41.31 C ATOM 696 OD1 ASN A 44 -7.927 2.564 58.470 1.00 74.23 O ATOM 697 ND2 ASN A 44 -6.531 4.139 59.117 1.00 54.12 N ATOM 0 H ASN A 44 -6.448 1.639 61.031 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.944 0.166 58.694 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.803 2.265 59.327 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -5.272 1.779 57.710 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -7.288 4.822 59.158 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -5.579 4.418 59.355 1.00 54.12 H new ATOM 704 N LEU A 45 -4.045 -0.400 60.133 1.00 41.32 N ATOM 705 CA LEU A 45 -2.892 -1.293 60.157 1.00 63.54 C ATOM 706 C LEU A 45 -3.324 -2.741 60.294 1.00 61.15 C ATOM 707 O LEU A 45 -2.698 -3.649 59.746 1.00 54.24 O ATOM 708 CB LEU A 45 -1.979 -0.923 61.333 1.00 51.25 C ATOM 709 CG LEU A 45 -1.524 0.543 61.229 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.537 0.841 62.362 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.836 0.801 59.874 1.00 11.44 C ATOM 0 H LEU A 45 -4.090 0.253 60.916 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.354 -1.180 59.216 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.508 -1.079 62.273 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.109 -1.579 61.344 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.396 1.192 61.308 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.209 1.878 62.296 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.025 0.675 63.323 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.327 0.182 62.275 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.521 1.843 59.818 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.035 0.153 59.779 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.535 0.590 59.065 1.00 11.44 H new ATOM 723 N LEU A 46 -4.379 -2.948 61.069 1.00 71.41 N ATOM 724 CA LEU A 46 -4.875 -4.288 61.323 1.00 61.10 C ATOM 725 C LEU A 46 -5.263 -5.006 60.036 1.00 31.50 C ATOM 726 O LEU A 46 -5.026 -6.207 59.898 1.00 54.02 O ATOM 727 CB LEU A 46 -6.075 -4.190 62.274 1.00 60.53 C ATOM 728 CG LEU A 46 -6.581 -5.590 62.662 1.00 44.45 C ATOM 729 CD1 LEU A 46 -5.556 -6.297 63.564 1.00 64.30 C ATOM 730 CD2 LEU A 46 -7.910 -5.442 63.420 1.00 0.20 C ATOM 0 H LEU A 46 -4.905 -2.206 61.530 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.081 -4.878 61.780 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -5.790 -3.640 63.171 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -6.878 -3.628 61.797 1.00 60.53 H new ATOM 0 HG LEU A 46 -6.724 -6.185 61.760 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -5.927 -7.286 63.831 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -4.610 -6.396 63.032 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -5.403 -5.711 64.470 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.280 -6.428 63.701 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -7.752 -4.844 64.318 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -8.641 -4.949 62.779 1.00 0.20 H new ATOM 742 N ALA A 47 -5.867 -4.286 59.100 1.00 34.35 N ATOM 743 CA ALA A 47 -6.276 -4.917 57.848 1.00 53.05 C ATOM 744 C ALA A 47 -5.083 -5.423 57.032 1.00 12.35 C ATOM 745 O ALA A 47 -5.159 -6.472 56.393 1.00 23.24 O ATOM 746 CB ALA A 47 -7.073 -3.919 57.008 1.00 33.42 C ATOM 0 H ALA A 47 -6.081 -3.292 59.177 1.00 34.35 H new ATOM 0 HA ALA A 47 -6.891 -5.780 58.105 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.378 -4.391 56.074 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -7.958 -3.603 57.561 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.452 -3.050 56.790 1.00 33.42 H new ATOM 752 N GLU A 48 -3.991 -4.661 57.041 1.00 4.11 N ATOM 753 CA GLU A 48 -2.799 -5.032 56.281 1.00 71.31 C ATOM 754 C GLU A 48 -2.152 -6.325 56.769 1.00 53.14 C ATOM 755 O GLU A 48 -1.578 -7.070 55.974 1.00 1.34 O ATOM 756 CB GLU A 48 -1.772 -3.900 56.361 1.00 1.10 C ATOM 757 CG GLU A 48 -2.331 -2.653 55.675 1.00 43.35 C ATOM 758 CD GLU A 48 -1.288 -1.540 55.692 1.00 0.13 C ATOM 759 OE1 GLU A 48 -0.279 -1.711 56.354 1.00 22.11 O ATOM 760 OE2 GLU A 48 -1.515 -0.534 55.040 1.00 1.25 O ATOM 0 H GLU A 48 -3.907 -3.788 57.563 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.121 -5.200 55.253 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.538 -3.681 57.403 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -0.841 -4.205 55.882 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -2.610 -2.887 54.647 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -3.237 -2.323 56.184 1.00 43.35 H new ATOM 767 N ALA A 49 -2.193 -6.573 58.077 1.00 33.23 N ATOM 768 CA ALA A 49 -1.540 -7.764 58.612 1.00 2.00 C ATOM 769 C ALA A 49 -2.154 -9.053 58.089 1.00 71.01 C ATOM 770 O ALA A 49 -1.437 -10.006 57.781 1.00 35.52 O ATOM 771 CB ALA A 49 -1.618 -7.752 60.139 1.00 23.43 C ATOM 0 H ALA A 49 -2.657 -5.984 58.768 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.502 -7.736 58.280 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.130 -8.642 60.535 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.117 -6.863 60.522 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.663 -7.742 60.450 1.00 23.43 H new ATOM 777 N LYS A 50 -3.472 -9.089 57.974 1.00 4.25 N ATOM 778 CA LYS A 50 -4.124 -10.285 57.469 1.00 23.31 C ATOM 779 C LYS A 50 -3.645 -10.601 56.056 1.00 72.12 C ATOM 780 O LYS A 50 -3.459 -11.761 55.690 1.00 75.31 O ATOM 781 CB LYS A 50 -5.643 -10.089 57.472 1.00 25.20 C ATOM 782 CG LYS A 50 -6.336 -11.397 57.078 1.00 15.54 C ATOM 783 CD LYS A 50 -7.849 -11.175 57.026 1.00 73.13 C ATOM 784 CE LYS A 50 -8.555 -12.512 56.794 1.00 33.33 C ATOM 785 NZ LYS A 50 -8.518 -13.318 58.047 1.00 30.21 N ATOM 0 H LYS A 50 -4.099 -8.322 58.217 1.00 4.25 H new ATOM 0 HA LYS A 50 -3.867 -11.122 58.118 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -5.976 -9.774 58.461 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -5.918 -9.297 56.775 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -5.973 -11.735 56.107 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.097 -12.179 57.798 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.193 -10.727 57.958 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.097 -10.477 56.226 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -9.587 -12.342 56.489 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.069 -13.056 55.984 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -9.225 -14.079 57.991 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -7.572 -13.733 58.165 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -8.731 -12.706 58.860 1.00 30.21 H new ATOM 799 N LYS A 51 -3.489 -9.546 55.261 1.00 23.43 N ATOM 800 CA LYS A 51 -3.080 -9.692 53.869 1.00 54.50 C ATOM 801 C LYS A 51 -1.717 -10.373 53.697 1.00 75.32 C ATOM 802 O LYS A 51 -1.560 -11.225 52.824 1.00 61.01 O ATOM 803 CB LYS A 51 -3.037 -8.290 53.258 1.00 24.15 C ATOM 804 CG LYS A 51 -2.752 -8.354 51.759 1.00 5.50 C ATOM 805 CD LYS A 51 -2.664 -6.924 51.220 1.00 53.11 C ATOM 806 CE LYS A 51 -2.534 -6.948 49.699 1.00 31.35 C ATOM 807 NZ LYS A 51 -2.839 -5.594 49.154 1.00 54.42 N ATOM 0 H LYS A 51 -3.640 -8.582 55.557 1.00 23.43 H new ATOM 0 HA LYS A 51 -3.800 -10.339 53.368 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -3.988 -7.785 53.430 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -2.268 -7.697 53.753 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -1.820 -8.887 51.573 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -3.541 -8.904 51.246 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -3.552 -6.362 51.509 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -1.807 -6.413 51.659 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -1.526 -7.248 49.414 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -3.217 -7.685 49.276 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -2.751 -5.609 48.118 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -3.809 -5.325 49.415 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -2.170 -4.902 49.548 1.00 54.42 H new ATOM 821 N LEU A 52 -0.735 -10.006 54.520 1.00 14.24 N ATOM 822 CA LEU A 52 0.588 -10.621 54.404 1.00 55.12 C ATOM 823 C LEU A 52 0.515 -12.120 54.667 1.00 73.34 C ATOM 824 O LEU A 52 1.214 -12.920 54.035 1.00 73.02 O ATOM 825 CB LEU A 52 1.581 -9.953 55.372 1.00 71.21 C ATOM 826 CG LEU A 52 3.003 -10.518 55.166 1.00 72.12 C ATOM 827 CD1 LEU A 52 3.586 -10.032 53.826 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.904 -10.033 56.308 1.00 45.20 C ATOM 0 H LEU A 52 -0.824 -9.305 55.256 1.00 14.24 H new ATOM 0 HA LEU A 52 0.943 -10.471 53.384 1.00 55.12 H new ATOM 0 HB2 LEU A 52 1.585 -8.875 55.211 1.00 71.21 H new ATOM 0 HB3 LEU A 52 1.263 -10.120 56.401 1.00 71.21 H new ATOM 0 HG LEU A 52 2.954 -11.607 55.157 1.00 72.12 H new ATOM 0 HD11 LEU A 52 4.589 -10.439 53.696 1.00 53.43 H new ATOM 0 HD12 LEU A 52 2.949 -10.369 53.008 1.00 53.43 H new ATOM 0 HD13 LEU A 52 3.634 -8.943 53.824 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.911 -10.428 56.170 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.938 -8.944 56.307 1.00 45.20 H new ATOM 0 HD23 LEU A 52 3.505 -10.382 57.260 1.00 45.20 H new ATOM 840 N ASN A 53 -0.321 -12.485 55.631 1.00 30.55 N ATOM 841 CA ASN A 53 -0.473 -13.878 56.015 1.00 12.22 C ATOM 842 C ASN A 53 -0.866 -14.775 54.852 1.00 20.35 C ATOM 843 O ASN A 53 -0.393 -15.910 54.752 1.00 22.15 O ATOM 844 CB ASN A 53 -1.529 -13.972 57.118 1.00 4.55 C ATOM 845 CG ASN A 53 -1.526 -15.366 57.719 1.00 21.40 C ATOM 846 OD1 ASN A 53 -0.884 -16.262 57.181 1.00 11.02 O ATOM 847 ND2 ASN A 53 -2.200 -15.604 58.811 1.00 12.51 N ATOM 0 H ASN A 53 -0.903 -11.835 56.159 1.00 30.55 H new ATOM 0 HA ASN A 53 0.496 -14.231 56.369 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.325 -13.232 57.892 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -2.514 -13.744 56.711 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -2.194 -16.538 59.220 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -2.732 -14.856 59.255 1.00 12.51 H new ATOM 854 N ASP A 54 -1.741 -14.284 53.987 1.00 50.01 N ATOM 855 CA ASP A 54 -2.180 -15.085 52.857 1.00 62.34 C ATOM 856 C ASP A 54 -1.027 -15.504 51.942 1.00 11.11 C ATOM 857 O ASP A 54 -1.020 -16.621 51.424 1.00 73.25 O ATOM 858 CB ASP A 54 -3.208 -14.300 52.042 1.00 11.40 C ATOM 859 CG ASP A 54 -3.836 -15.204 50.987 1.00 5.23 C ATOM 860 OD1 ASP A 54 -3.540 -16.389 50.999 1.00 12.01 O ATOM 861 OD2 ASP A 54 -4.604 -14.701 50.185 1.00 44.54 O ATOM 0 H ASP A 54 -2.154 -13.353 54.044 1.00 50.01 H new ATOM 0 HA ASP A 54 -2.621 -15.995 53.264 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -3.981 -13.904 52.701 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -2.729 -13.446 51.563 1.00 11.40 H new ATOM 866 N ALA A 55 -0.070 -14.600 51.708 1.00 63.33 N ATOM 867 CA ALA A 55 1.036 -14.923 50.806 1.00 75.40 C ATOM 868 C ALA A 55 1.955 -16.028 51.330 1.00 54.24 C ATOM 869 O ALA A 55 2.326 -16.928 50.578 1.00 42.04 O ATOM 870 CB ALA A 55 1.866 -13.665 50.548 1.00 14.55 C ATOM 0 H ALA A 55 -0.038 -13.666 52.117 1.00 63.33 H new ATOM 0 HA ALA A 55 0.585 -15.297 49.887 1.00 75.40 H new ATOM 0 HB1 ALA A 55 2.690 -13.904 49.876 1.00 14.55 H new ATOM 0 HB2 ALA A 55 1.236 -12.901 50.092 1.00 14.55 H new ATOM 0 HB3 ALA A 55 2.264 -13.292 51.492 1.00 14.55 H new ATOM 876 N GLN A 56 2.320 -15.974 52.611 1.00 13.12 N ATOM 877 CA GLN A 56 3.191 -17.012 53.165 1.00 70.45 C ATOM 878 C GLN A 56 2.547 -18.387 53.085 1.00 74.21 C ATOM 879 O GLN A 56 3.225 -19.395 52.892 1.00 61.33 O ATOM 880 CB GLN A 56 3.627 -16.717 54.604 1.00 75.40 C ATOM 881 CG GLN A 56 4.692 -17.755 55.004 1.00 42.42 C ATOM 882 CD GLN A 56 5.227 -17.487 56.403 1.00 1.22 C ATOM 883 OE1 GLN A 56 4.932 -16.458 56.993 1.00 75.44 O ATOM 884 NE2 GLN A 56 6.002 -18.369 56.973 1.00 25.51 N ATOM 0 H GLN A 56 2.037 -15.247 53.268 1.00 13.12 H new ATOM 0 HA GLN A 56 4.087 -17.009 52.545 1.00 70.45 H new ATOM 0 HB2 GLN A 56 4.032 -15.708 54.680 1.00 75.40 H new ATOM 0 HB3 GLN A 56 2.773 -16.769 55.279 1.00 75.40 H new ATOM 0 HG2 GLN A 56 4.261 -18.755 54.962 1.00 42.42 H new ATOM 0 HG3 GLN A 56 5.513 -17.731 54.288 1.00 42.42 H new ATOM 0 HE21 GLN A 56 6.247 -19.227 56.479 1.00 25.51 H new ATOM 0 HE22 GLN A 56 6.362 -18.200 57.912 1.00 25.51 H new ATOM 893 N ALA A 57 1.232 -18.420 53.293 1.00 41.45 N ATOM 894 CA ALA A 57 0.480 -19.677 53.311 1.00 3.34 C ATOM 895 C ALA A 57 -0.663 -19.669 52.301 1.00 45.42 C ATOM 896 O ALA A 57 -1.817 -19.437 52.661 1.00 70.24 O ATOM 897 CB ALA A 57 -0.097 -19.905 54.703 1.00 15.43 C ATOM 0 H ALA A 57 0.662 -17.589 53.452 1.00 41.45 H new ATOM 0 HA ALA A 57 1.169 -20.478 53.043 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -0.657 -20.840 54.716 1.00 15.43 H new ATOM 0 HB2 ALA A 57 0.714 -19.957 55.429 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -0.762 -19.081 54.961 1.00 15.43 H new ATOM 903 N PRO A 58 -0.376 -19.931 51.061 1.00 72.22 N ATOM 904 CA PRO A 58 -1.415 -19.969 49.998 1.00 5.45 C ATOM 905 C PRO A 58 -2.537 -20.933 50.383 1.00 32.31 C ATOM 906 O PRO A 58 -3.634 -20.880 49.827 1.00 74.14 O ATOM 907 CB PRO A 58 -0.652 -20.452 48.749 1.00 52.14 C ATOM 908 CG PRO A 58 0.779 -20.102 49.013 1.00 51.21 C ATOM 909 CD PRO A 58 0.967 -20.215 50.526 1.00 1.22 C ATOM 0 HA PRO A 58 -1.897 -19.005 49.834 1.00 5.45 H new ATOM 0 HB2 PRO A 58 -0.776 -21.525 48.601 1.00 52.14 H new ATOM 0 HB3 PRO A 58 -1.019 -19.961 47.847 1.00 52.14 H new ATOM 0 HG2 PRO A 58 1.450 -20.779 48.485 1.00 51.21 H new ATOM 0 HG3 PRO A 58 1.005 -19.094 48.666 1.00 51.21 H new ATOM 0 HD2 PRO A 58 1.312 -21.208 50.815 1.00 1.22 H new ATOM 0 HD3 PRO A 58 1.705 -19.502 50.893 1.00 1.22 H new ATOM 917 N LYS A 59 -2.234 -21.818 51.340 1.00 51.24 N ATOM 918 CA LYS A 59 -3.198 -22.815 51.820 1.00 3.44 C ATOM 919 C LYS A 59 -4.630 -22.282 51.772 1.00 22.42 C ATOM 920 O LYS A 59 -5.314 -22.566 50.802 1.00 61.53 O ATOM 921 CB LYS A 59 -2.860 -23.205 53.262 1.00 35.24 C ATOM 922 CG LYS A 59 -1.486 -23.878 53.307 1.00 25.14 C ATOM 923 CD LYS A 59 -1.207 -24.371 54.730 1.00 31.13 C ATOM 924 CE LYS A 59 0.214 -24.933 54.807 1.00 53.14 C ATOM 925 NZ LYS A 59 0.603 -25.110 56.234 1.00 14.35 N ATOM 926 OXT LYS A 59 -5.018 -21.600 52.705 1.00 61.53 O ATOM 0 H LYS A 59 -1.324 -21.864 51.799 1.00 51.24 H new ATOM 0 HA LYS A 59 -3.132 -23.684 51.165 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -2.863 -22.320 53.898 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -3.620 -23.881 53.653 1.00 35.24 H new ATOM 0 HG2 LYS A 59 -1.455 -24.714 52.608 1.00 25.14 H new ATOM 0 HG3 LYS A 59 -0.714 -23.174 52.996 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -1.324 -23.552 55.439 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -1.929 -25.139 55.008 1.00 31.13 H new ATOM 0 HE2 LYS A 59 0.268 -25.888 54.284 1.00 53.14 H new ATOM 0 HE3 LYS A 59 0.911 -24.258 54.310 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 1.569 -25.492 56.286 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 0.568 -24.191 56.720 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -0.056 -25.771 56.694 1.00 14.35 H new TER 940 LYS A 59