USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 67 GLN : amide:sc= -0.0525 K(o=-0.97,f=-8.7!) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.913 K(o=-0.97,f=-3.1) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.00499 X(o=-0.047,f=-0.077) USER MOD Set 2.2: A 80 TYR OH : rot 80:sc= -0.0523 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0806 (180deg=0) USER MOD Single : A 2 SER OG : rot -150:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.19 K(o=0.19,f=-0.6) USER MOD Single : A 6 GLN : amide:sc= 0.306 X(o=0.31,f=-0.094) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0456 (180deg=-0.294) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 32 HIS : no HD1:sc=-0.00707 X(o=-0.0071,f=-0.21) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : A 47 ASN : amide:sc= -0.264 K(o=-0.26,f=-3.2!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= -0.483 (180deg=-0.615) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 177:sc= 1.26 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -173:sc= -0.506 (180deg=-0.914) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.646 -3.167 -6.623 1.00 42.25 N ATOM 2 CA GLY A 1 14.887 -2.121 -5.938 1.00 14.32 C ATOM 3 C GLY A 1 15.769 -1.406 -4.937 1.00 40.43 C ATOM 4 O GLY A 1 16.992 -1.353 -5.105 1.00 31.33 O ATOM 0 H1 GLY A 1 15.489 -3.095 -7.649 1.00 42.25 H new ATOM 0 H2 GLY A 1 16.659 -3.051 -6.419 1.00 42.25 H new ATOM 0 H3 GLY A 1 15.330 -4.100 -6.289 1.00 42.25 H new ATOM 0 HA2 GLY A 1 14.498 -1.408 -6.665 1.00 14.32 H new ATOM 0 HA3 GLY A 1 14.028 -2.559 -5.429 1.00 14.32 H new ATOM 8 N SER A 2 15.149 -0.840 -3.908 1.00 1.13 N ATOM 9 CA SER A 2 15.775 0.067 -2.961 1.00 5.40 C ATOM 10 C SER A 2 15.722 -0.481 -1.534 1.00 15.14 C ATOM 11 O SER A 2 15.282 -1.608 -1.304 1.00 41.11 O ATOM 12 CB SER A 2 15.079 1.425 -3.112 1.00 1.31 C ATOM 13 OG SER A 2 15.887 2.283 -3.895 1.00 23.53 O ATOM 0 H SER A 2 14.163 -1.007 -3.706 1.00 1.13 H new ATOM 0 HA SER A 2 16.838 0.179 -3.172 1.00 5.40 H new ATOM 0 HB2 SER A 2 14.104 1.296 -3.582 1.00 1.31 H new ATOM 0 HB3 SER A 2 14.904 1.867 -2.131 1.00 1.31 H new ATOM 0 HG SER A 2 15.737 3.212 -3.622 1.00 23.53 H new ATOM 19 N GLU A 3 16.152 0.348 -0.574 1.00 52.13 N ATOM 20 CA GLU A 3 16.203 0.084 0.864 1.00 52.42 C ATOM 21 C GLU A 3 14.913 -0.588 1.342 1.00 42.01 C ATOM 22 O GLU A 3 14.931 -1.556 2.104 1.00 65.54 O ATOM 23 CB GLU A 3 16.354 1.466 1.539 1.00 73.14 C ATOM 24 CG GLU A 3 16.313 1.482 3.075 1.00 24.50 C ATOM 25 CD GLU A 3 17.680 1.155 3.669 1.00 35.23 C ATOM 26 OE1 GLU A 3 18.040 -0.042 3.782 1.00 32.42 O ATOM 27 OE2 GLU A 3 18.446 2.098 3.954 1.00 4.33 O ATOM 0 H GLU A 3 16.495 1.282 -0.799 1.00 52.13 H new ATOM 0 HA GLU A 3 17.026 -0.587 1.111 1.00 52.42 H new ATOM 0 HB2 GLU A 3 17.300 1.902 1.218 1.00 73.14 H new ATOM 0 HB3 GLU A 3 15.561 2.116 1.169 1.00 73.14 H new ATOM 0 HG2 GLU A 3 15.988 2.463 3.422 1.00 24.50 H new ATOM 0 HG3 GLU A 3 15.578 0.759 3.429 1.00 24.50 H new ATOM 34 N ASN A 4 13.790 -0.050 0.878 1.00 43.42 N ATOM 35 CA ASN A 4 12.459 -0.396 1.338 1.00 54.53 C ATOM 36 C ASN A 4 12.124 -1.843 0.979 1.00 45.54 C ATOM 37 O ASN A 4 11.422 -2.507 1.734 1.00 74.31 O ATOM 38 CB ASN A 4 11.408 0.555 0.730 1.00 34.21 C ATOM 39 CG ASN A 4 11.961 1.924 0.342 1.00 52.41 C ATOM 40 OD1 ASN A 4 12.069 2.836 1.154 1.00 75.31 O ATOM 41 ND2 ASN A 4 12.398 2.071 -0.899 1.00 3.12 N ATOM 0 H ASN A 4 13.786 0.662 0.147 1.00 43.42 H new ATOM 0 HA ASN A 4 12.439 -0.291 2.423 1.00 54.53 H new ATOM 0 HB2 ASN A 4 10.976 0.085 -0.154 1.00 34.21 H new ATOM 0 HB3 ASN A 4 10.598 0.691 1.447 1.00 34.21 H new ATOM 0 HD21 ASN A 4 12.829 2.949 -1.187 1.00 3.12 H new ATOM 0 HD22 ASN A 4 12.303 1.306 -1.567 1.00 3.12 H new ATOM 48 N PHE A 5 12.604 -2.339 -0.167 1.00 0.00 N ATOM 49 CA PHE A 5 12.201 -3.619 -0.738 1.00 21.20 C ATOM 50 C PHE A 5 12.379 -4.771 0.249 1.00 40.23 C ATOM 51 O PHE A 5 11.458 -5.565 0.448 1.00 41.21 O ATOM 52 CB PHE A 5 12.993 -3.884 -2.023 1.00 42.53 C ATOM 53 CG PHE A 5 12.573 -5.143 -2.756 1.00 1.11 C ATOM 54 CD1 PHE A 5 11.254 -5.277 -3.228 1.00 52.03 C ATOM 55 CD2 PHE A 5 13.490 -6.193 -2.947 1.00 63.45 C ATOM 56 CE1 PHE A 5 10.855 -6.458 -3.874 1.00 41.45 C ATOM 57 CE2 PHE A 5 13.095 -7.367 -3.611 1.00 15.01 C ATOM 58 CZ PHE A 5 11.774 -7.497 -4.073 1.00 4.00 C ATOM 0 H PHE A 5 13.297 -1.848 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 5 11.138 -3.561 -0.971 1.00 21.20 H new ATOM 0 HB2 PHE A 5 12.878 -3.031 -2.691 1.00 42.53 H new ATOM 0 HB3 PHE A 5 14.052 -3.955 -1.777 1.00 42.53 H new ATOM 0 HD1 PHE A 5 10.548 -4.471 -3.093 1.00 52.03 H new ATOM 0 HD2 PHE A 5 14.502 -6.096 -2.582 1.00 63.45 H new ATOM 0 HE1 PHE A 5 9.837 -6.566 -4.218 1.00 41.45 H new ATOM 0 HE2 PHE A 5 13.804 -8.167 -3.766 1.00 15.01 H new ATOM 0 HZ PHE A 5 11.467 -8.399 -4.582 1.00 4.00 H new ATOM 68 N GLN A 6 13.562 -4.868 0.857 1.00 54.35 N ATOM 69 CA GLN A 6 13.868 -5.957 1.770 1.00 73.52 C ATOM 70 C GLN A 6 13.001 -5.886 3.028 1.00 22.20 C ATOM 71 O GLN A 6 12.528 -6.925 3.488 1.00 31.23 O ATOM 72 CB GLN A 6 15.366 -5.942 2.102 1.00 62.32 C ATOM 73 CG GLN A 6 15.802 -7.102 3.008 1.00 52.01 C ATOM 74 CD GLN A 6 15.517 -8.467 2.387 1.00 41.24 C ATOM 75 OE1 GLN A 6 16.343 -9.026 1.669 1.00 12.01 O ATOM 76 NE2 GLN A 6 14.344 -9.031 2.621 1.00 71.12 N ATOM 0 H GLN A 6 14.323 -4.201 0.730 1.00 54.35 H new ATOM 0 HA GLN A 6 13.634 -6.905 1.286 1.00 73.52 H new ATOM 0 HB2 GLN A 6 15.937 -5.981 1.174 1.00 62.32 H new ATOM 0 HB3 GLN A 6 15.613 -4.998 2.588 1.00 62.32 H new ATOM 0 HG2 GLN A 6 16.869 -7.016 3.215 1.00 52.01 H new ATOM 0 HG3 GLN A 6 15.285 -7.026 3.964 1.00 52.01 H new ATOM 0 HE21 GLN A 6 13.663 -8.562 3.218 1.00 71.12 H new ATOM 0 HE22 GLN A 6 14.121 -9.935 2.205 1.00 71.12 H new ATOM 85 N THR A 7 12.776 -4.690 3.569 1.00 43.41 N ATOM 86 CA THR A 7 11.897 -4.495 4.710 1.00 31.21 C ATOM 87 C THR A 7 10.474 -4.922 4.361 1.00 44.11 C ATOM 88 O THR A 7 9.830 -5.624 5.131 1.00 72.42 O ATOM 89 CB THR A 7 11.975 -3.023 5.136 1.00 61.41 C ATOM 90 OG1 THR A 7 13.296 -2.756 5.569 1.00 60.54 O ATOM 91 CG2 THR A 7 10.984 -2.658 6.240 1.00 31.32 C ATOM 0 H THR A 7 13.201 -3.830 3.224 1.00 43.41 H new ATOM 0 HA THR A 7 12.212 -5.116 5.548 1.00 31.21 H new ATOM 0 HB THR A 7 11.707 -2.412 4.274 1.00 61.41 H new ATOM 0 HG1 THR A 7 13.367 -1.818 5.844 1.00 60.54 H new ATOM 0 HG21 THR A 7 11.093 -1.603 6.493 1.00 31.32 H new ATOM 0 HG22 THR A 7 9.968 -2.845 5.893 1.00 31.32 H new ATOM 0 HG23 THR A 7 11.183 -3.265 7.123 1.00 31.32 H new ATOM 99 N LEU A 8 9.973 -4.521 3.197 1.00 43.42 N ATOM 100 CA LEU A 8 8.610 -4.794 2.774 1.00 35.24 C ATOM 101 C LEU A 8 8.337 -6.283 2.662 1.00 31.24 C ATOM 102 O LEU A 8 7.279 -6.770 3.063 1.00 44.31 O ATOM 103 CB LEU A 8 8.398 -4.178 1.399 1.00 14.00 C ATOM 104 CG LEU A 8 8.221 -2.652 1.402 1.00 21.33 C ATOM 105 CD1 LEU A 8 8.332 -2.187 -0.054 1.00 35.20 C ATOM 106 CD2 LEU A 8 6.905 -2.225 2.056 1.00 11.31 C ATOM 0 H LEU A 8 10.513 -3.990 2.514 1.00 43.42 H new ATOM 0 HA LEU A 8 7.937 -4.372 3.520 1.00 35.24 H new ATOM 0 HB2 LEU A 8 9.249 -4.431 0.767 1.00 14.00 H new ATOM 0 HB3 LEU A 8 7.518 -4.632 0.944 1.00 14.00 H new ATOM 0 HG LEU A 8 8.995 -2.179 2.006 1.00 21.33 H new ATOM 0 HD11 LEU A 8 8.212 -1.105 -0.100 1.00 35.20 H new ATOM 0 HD12 LEU A 8 9.310 -2.461 -0.450 1.00 35.20 H new ATOM 0 HD13 LEU A 8 7.553 -2.664 -0.649 1.00 35.20 H new ATOM 0 HD21 LEU A 8 6.824 -1.138 2.035 1.00 11.31 H new ATOM 0 HD22 LEU A 8 6.069 -2.662 1.510 1.00 11.31 H new ATOM 0 HD23 LEU A 8 6.883 -2.570 3.090 1.00 11.31 H new ATOM 118 N LEU A 9 9.289 -7.009 2.086 1.00 63.32 N ATOM 119 CA LEU A 9 9.236 -8.457 2.023 1.00 15.12 C ATOM 120 C LEU A 9 9.138 -9.026 3.432 1.00 42.22 C ATOM 121 O LEU A 9 8.390 -9.974 3.665 1.00 41.12 O ATOM 122 CB LEU A 9 10.508 -8.967 1.344 1.00 24.44 C ATOM 123 CG LEU A 9 10.485 -8.837 -0.183 1.00 53.43 C ATOM 124 CD1 LEU A 9 11.903 -9.086 -0.680 1.00 14.20 C ATOM 125 CD2 LEU A 9 9.540 -9.854 -0.837 1.00 12.21 C ATOM 0 H LEU A 9 10.118 -6.605 1.650 1.00 63.32 H new ATOM 0 HA LEU A 9 8.363 -8.773 1.453 1.00 15.12 H new ATOM 0 HB2 LEU A 9 11.364 -8.416 1.734 1.00 24.44 H new ATOM 0 HB3 LEU A 9 10.656 -10.014 1.609 1.00 24.44 H new ATOM 0 HG LEU A 9 10.125 -7.843 -0.449 1.00 53.43 H new ATOM 0 HD11 LEU A 9 11.928 -9.002 -1.766 1.00 14.20 H new ATOM 0 HD12 LEU A 9 12.576 -8.348 -0.244 1.00 14.20 H new ATOM 0 HD13 LEU A 9 12.221 -10.086 -0.386 1.00 14.20 H new ATOM 0 HD21 LEU A 9 9.557 -9.723 -1.919 1.00 12.21 H new ATOM 0 HD22 LEU A 9 9.864 -10.864 -0.588 1.00 12.21 H new ATOM 0 HD23 LEU A 9 8.526 -9.698 -0.469 1.00 12.21 H new ATOM 137 N ASP A 10 9.875 -8.451 4.378 1.00 34.43 N ATOM 138 CA ASP A 10 9.963 -9.025 5.727 1.00 43.12 C ATOM 139 C ASP A 10 8.760 -8.617 6.584 1.00 11.33 C ATOM 140 O ASP A 10 8.374 -9.335 7.505 1.00 44.04 O ATOM 141 CB ASP A 10 11.295 -8.687 6.406 1.00 72.11 C ATOM 142 CG ASP A 10 11.563 -9.667 7.554 1.00 32.43 C ATOM 143 OD1 ASP A 10 12.124 -10.765 7.306 1.00 22.25 O ATOM 144 OD2 ASP A 10 11.212 -9.340 8.714 1.00 33.21 O ATOM 0 H ASP A 10 10.416 -7.597 4.243 1.00 34.43 H new ATOM 0 HA ASP A 10 9.933 -10.110 5.624 1.00 43.12 H new ATOM 0 HB2 ASP A 10 12.106 -8.736 5.679 1.00 72.11 H new ATOM 0 HB3 ASP A 10 11.269 -7.666 6.787 1.00 72.11 H new ATOM 149 N ALA A 11 8.072 -7.538 6.199 1.00 75.21 N ATOM 150 CA ALA A 11 6.788 -7.047 6.699 1.00 60.14 C ATOM 151 C ALA A 11 5.612 -7.903 6.198 1.00 41.23 C ATOM 152 O ALA A 11 4.459 -7.456 6.165 1.00 40.15 O ATOM 153 CB ALA A 11 6.619 -5.589 6.261 1.00 53.02 C ATOM 0 H ALA A 11 8.434 -6.932 5.462 1.00 75.21 H new ATOM 0 HA ALA A 11 6.785 -7.115 7.787 1.00 60.14 H new ATOM 0 HB1 ALA A 11 5.665 -5.208 6.626 1.00 53.02 H new ATOM 0 HB2 ALA A 11 7.431 -4.989 6.672 1.00 53.02 H new ATOM 0 HB3 ALA A 11 6.640 -5.531 5.173 1.00 53.02 H new ATOM 159 N GLY A 12 5.908 -9.122 5.751 1.00 21.33 N ATOM 160 CA GLY A 12 4.945 -10.158 5.462 1.00 14.14 C ATOM 161 C GLY A 12 4.418 -10.136 4.036 1.00 34.10 C ATOM 162 O GLY A 12 3.568 -10.957 3.697 1.00 1.12 O ATOM 0 H GLY A 12 6.869 -9.417 5.576 1.00 21.33 H new ATOM 0 HA2 GLY A 12 5.403 -11.128 5.654 1.00 14.14 H new ATOM 0 HA3 GLY A 12 4.105 -10.060 6.150 1.00 14.14 H new ATOM 166 N LEU A 13 4.861 -9.195 3.200 1.00 51.14 N ATOM 167 CA LEU A 13 4.264 -9.037 1.882 1.00 11.41 C ATOM 168 C LEU A 13 4.759 -10.118 0.920 1.00 20.20 C ATOM 169 O LEU A 13 5.931 -10.507 0.983 1.00 2.10 O ATOM 170 CB LEU A 13 4.573 -7.648 1.308 1.00 62.21 C ATOM 171 CG LEU A 13 4.019 -6.495 2.163 1.00 11.54 C ATOM 172 CD1 LEU A 13 4.409 -5.179 1.503 1.00 4.21 C ATOM 173 CD2 LEU A 13 2.493 -6.531 2.296 1.00 23.22 C ATOM 0 H LEU A 13 5.617 -8.544 3.411 1.00 51.14 H new ATOM 0 HA LEU A 13 3.185 -9.141 1.995 1.00 11.41 H new ATOM 0 HB2 LEU A 13 5.653 -7.534 1.214 1.00 62.21 H new ATOM 0 HB3 LEU A 13 4.157 -7.578 0.303 1.00 62.21 H new ATOM 0 HG LEU A 13 4.440 -6.596 3.163 1.00 11.54 H new ATOM 0 HD11 LEU A 13 4.025 -4.348 2.094 1.00 4.21 H new ATOM 0 HD12 LEU A 13 5.495 -5.110 1.442 1.00 4.21 H new ATOM 0 HD13 LEU A 13 3.986 -5.136 0.499 1.00 4.21 H new ATOM 0 HD21 LEU A 13 2.161 -5.693 2.910 1.00 23.22 H new ATOM 0 HD22 LEU A 13 2.040 -6.458 1.307 1.00 23.22 H new ATOM 0 HD23 LEU A 13 2.191 -7.467 2.766 1.00 23.22 H new ATOM 185 N PRO A 14 3.917 -10.545 -0.037 1.00 13.02 N ATOM 186 CA PRO A 14 4.372 -11.322 -1.176 1.00 24.43 C ATOM 187 C PRO A 14 5.301 -10.464 -2.040 1.00 64.34 C ATOM 188 O PRO A 14 5.197 -9.232 -2.077 1.00 54.51 O ATOM 189 CB PRO A 14 3.103 -11.743 -1.922 1.00 21.53 C ATOM 190 CG PRO A 14 2.044 -10.739 -1.485 1.00 24.30 C ATOM 191 CD PRO A 14 2.486 -10.289 -0.101 1.00 13.02 C ATOM 0 HA PRO A 14 4.947 -12.203 -0.890 1.00 24.43 H new ATOM 0 HB2 PRO A 14 3.252 -11.717 -3.002 1.00 21.53 H new ATOM 0 HB3 PRO A 14 2.812 -12.762 -1.665 1.00 21.53 H new ATOM 0 HG2 PRO A 14 1.987 -9.898 -2.176 1.00 24.30 H new ATOM 0 HG3 PRO A 14 1.054 -11.195 -1.456 1.00 24.30 H new ATOM 0 HD2 PRO A 14 2.271 -9.232 0.053 1.00 13.02 H new ATOM 0 HD3 PRO A 14 1.956 -10.839 0.677 1.00 13.02 H new ATOM 199 N GLN A 15 6.160 -11.122 -2.823 1.00 14.32 N ATOM 200 CA GLN A 15 7.162 -10.479 -3.653 1.00 15.52 C ATOM 201 C GLN A 15 6.469 -9.576 -4.646 1.00 51.21 C ATOM 202 O GLN A 15 6.907 -8.452 -4.883 1.00 33.34 O ATOM 203 CB GLN A 15 7.990 -11.553 -4.374 1.00 5.01 C ATOM 204 CG GLN A 15 8.874 -10.980 -5.497 1.00 23.51 C ATOM 205 CD GLN A 15 9.924 -11.992 -5.954 1.00 32.52 C ATOM 206 OE1 GLN A 15 9.609 -13.141 -6.258 1.00 51.31 O ATOM 207 NE2 GLN A 15 11.180 -11.599 -6.047 1.00 71.11 N ATOM 0 H GLN A 15 6.172 -12.139 -2.894 1.00 14.32 H new ATOM 0 HA GLN A 15 7.835 -9.878 -3.041 1.00 15.52 H new ATOM 0 HB2 GLN A 15 8.621 -12.065 -3.648 1.00 5.01 H new ATOM 0 HB3 GLN A 15 7.317 -12.301 -4.795 1.00 5.01 H new ATOM 0 HG2 GLN A 15 8.249 -10.695 -6.343 1.00 23.51 H new ATOM 0 HG3 GLN A 15 9.368 -10.074 -5.146 1.00 23.51 H new ATOM 0 HE21 GLN A 15 11.436 -10.645 -5.794 1.00 71.11 H new ATOM 0 HE22 GLN A 15 11.895 -12.249 -6.372 1.00 71.11 H new ATOM 216 N LYS A 16 5.378 -10.073 -5.231 1.00 42.31 N ATOM 217 CA LYS A 16 4.698 -9.348 -6.276 1.00 64.43 C ATOM 218 C LYS A 16 4.246 -7.969 -5.801 1.00 0.05 C ATOM 219 O LYS A 16 4.260 -7.038 -6.601 1.00 33.31 O ATOM 220 CB LYS A 16 3.483 -10.139 -6.789 1.00 41.21 C ATOM 221 CG LYS A 16 3.750 -11.124 -7.937 1.00 52.43 C ATOM 222 CD LYS A 16 4.611 -12.354 -7.606 1.00 22.31 C ATOM 223 CE LYS A 16 6.122 -12.162 -7.757 1.00 72.21 C ATOM 224 NZ LYS A 16 6.519 -11.821 -9.136 1.00 21.10 N ATOM 0 H LYS A 16 4.957 -10.971 -4.992 1.00 42.31 H new ATOM 0 HA LYS A 16 5.411 -9.216 -7.090 1.00 64.43 H new ATOM 0 HB2 LYS A 16 3.058 -10.694 -5.953 1.00 41.21 H new ATOM 0 HB3 LYS A 16 2.725 -9.428 -7.117 1.00 41.21 H new ATOM 0 HG2 LYS A 16 2.789 -11.473 -8.316 1.00 52.43 H new ATOM 0 HG3 LYS A 16 4.233 -10.579 -8.748 1.00 52.43 H new ATOM 0 HD2 LYS A 16 4.402 -12.656 -6.580 1.00 22.31 H new ATOM 0 HD3 LYS A 16 4.301 -13.177 -8.250 1.00 22.31 H new ATOM 0 HE2 LYS A 16 6.453 -11.372 -7.083 1.00 72.21 H new ATOM 0 HE3 LYS A 16 6.632 -13.076 -7.452 1.00 72.21 H new ATOM 0 HZ1 LYS A 16 7.540 -11.983 -9.254 1.00 21.10 H new ATOM 0 HZ2 LYS A 16 5.994 -12.419 -9.806 1.00 21.10 H new ATOM 0 HZ3 LYS A 16 6.304 -10.821 -9.322 1.00 21.10 H new ATOM 238 N VAL A 17 3.807 -7.856 -4.546 1.00 73.13 N ATOM 239 CA VAL A 17 3.327 -6.616 -3.949 1.00 60.33 C ATOM 240 C VAL A 17 4.542 -5.766 -3.564 1.00 31.51 C ATOM 241 O VAL A 17 4.585 -4.584 -3.907 1.00 41.14 O ATOM 242 CB VAL A 17 2.410 -6.966 -2.755 1.00 4.13 C ATOM 243 CG1 VAL A 17 1.938 -5.752 -1.942 1.00 44.52 C ATOM 244 CG2 VAL A 17 1.152 -7.700 -3.253 1.00 71.53 C ATOM 0 H VAL A 17 3.776 -8.647 -3.903 1.00 73.13 H new ATOM 0 HA VAL A 17 2.729 -6.026 -4.643 1.00 60.33 H new ATOM 0 HB VAL A 17 3.022 -7.588 -2.102 1.00 4.13 H new ATOM 0 HG11 VAL A 17 1.300 -6.087 -1.124 1.00 44.52 H new ATOM 0 HG12 VAL A 17 2.803 -5.228 -1.536 1.00 44.52 H new ATOM 0 HG13 VAL A 17 1.376 -5.078 -2.588 1.00 44.52 H new ATOM 0 HG21 VAL A 17 0.512 -7.942 -2.404 1.00 71.53 H new ATOM 0 HG22 VAL A 17 0.608 -7.059 -3.947 1.00 71.53 H new ATOM 0 HG23 VAL A 17 1.444 -8.619 -3.761 1.00 71.53 H new ATOM 254 N ALA A 18 5.545 -6.359 -2.900 1.00 40.14 N ATOM 255 CA ALA A 18 6.742 -5.646 -2.455 1.00 0.30 C ATOM 256 C ALA A 18 7.440 -4.932 -3.621 1.00 61.21 C ATOM 257 O ALA A 18 7.870 -3.792 -3.460 1.00 52.22 O ATOM 258 CB ALA A 18 7.696 -6.620 -1.751 1.00 33.10 C ATOM 0 H ALA A 18 5.545 -7.350 -2.658 1.00 40.14 H new ATOM 0 HA ALA A 18 6.440 -4.876 -1.746 1.00 0.30 H new ATOM 0 HB1 ALA A 18 8.586 -6.084 -1.422 1.00 33.10 H new ATOM 0 HB2 ALA A 18 7.196 -7.058 -0.887 1.00 33.10 H new ATOM 0 HB3 ALA A 18 7.985 -7.411 -2.443 1.00 33.10 H new ATOM 264 N GLU A 19 7.507 -5.580 -4.792 1.00 41.23 N ATOM 265 CA GLU A 19 8.101 -5.039 -6.015 1.00 71.21 C ATOM 266 C GLU A 19 7.511 -3.661 -6.350 1.00 60.33 C ATOM 267 O GLU A 19 8.254 -2.689 -6.501 1.00 63.51 O ATOM 268 CB GLU A 19 7.871 -6.029 -7.173 1.00 42.03 C ATOM 269 CG GLU A 19 8.928 -7.145 -7.316 1.00 64.12 C ATOM 270 CD GLU A 19 9.729 -6.956 -8.609 1.00 31.21 C ATOM 271 OE1 GLU A 19 10.591 -6.053 -8.670 1.00 40.33 O ATOM 272 OE2 GLU A 19 9.469 -7.683 -9.598 1.00 20.30 O ATOM 0 H GLU A 19 7.137 -6.523 -4.915 1.00 41.23 H new ATOM 0 HA GLU A 19 9.172 -4.908 -5.862 1.00 71.21 H new ATOM 0 HB2 GLU A 19 6.894 -6.494 -7.042 1.00 42.03 H new ATOM 0 HB3 GLU A 19 7.834 -5.467 -8.106 1.00 42.03 H new ATOM 0 HG2 GLU A 19 9.600 -7.131 -6.458 1.00 64.12 H new ATOM 0 HG3 GLU A 19 8.440 -8.119 -7.322 1.00 64.12 H new ATOM 279 N LYS A 20 6.177 -3.574 -6.466 1.00 4.12 N ATOM 280 CA LYS A 20 5.484 -2.327 -6.805 1.00 62.11 C ATOM 281 C LYS A 20 5.663 -1.308 -5.687 1.00 25.34 C ATOM 282 O LYS A 20 5.878 -0.126 -5.945 1.00 71.44 O ATOM 283 CB LYS A 20 3.972 -2.562 -7.013 1.00 43.02 C ATOM 284 CG LYS A 20 3.515 -2.943 -8.431 1.00 5.45 C ATOM 285 CD LYS A 20 3.823 -4.395 -8.805 1.00 32.20 C ATOM 286 CE LYS A 20 5.211 -4.592 -9.423 1.00 63.42 C ATOM 287 NZ LYS A 20 5.215 -4.260 -10.859 1.00 21.31 N ATOM 0 H LYS A 20 5.551 -4.367 -6.327 1.00 4.12 H new ATOM 0 HA LYS A 20 5.919 -1.954 -7.733 1.00 62.11 H new ATOM 0 HB2 LYS A 20 3.654 -3.351 -6.331 1.00 43.02 H new ATOM 0 HB3 LYS A 20 3.444 -1.655 -6.719 1.00 43.02 H new ATOM 0 HG2 LYS A 20 2.441 -2.775 -8.515 1.00 5.45 H new ATOM 0 HG3 LYS A 20 3.998 -2.281 -9.150 1.00 5.45 H new ATOM 0 HD2 LYS A 20 3.741 -5.016 -7.913 1.00 32.20 H new ATOM 0 HD3 LYS A 20 3.069 -4.747 -9.509 1.00 32.20 H new ATOM 0 HE2 LYS A 20 5.935 -3.966 -8.902 1.00 63.42 H new ATOM 0 HE3 LYS A 20 5.528 -5.626 -9.287 1.00 63.42 H new ATOM 0 HZ1 LYS A 20 6.169 -4.404 -11.246 1.00 21.31 H new ATOM 0 HZ2 LYS A 20 4.542 -4.875 -11.359 1.00 21.31 H new ATOM 0 HZ3 LYS A 20 4.936 -3.266 -10.986 1.00 21.31 H new ATOM 301 N LEU A 21 5.491 -1.745 -4.443 1.00 2.23 N ATOM 302 CA LEU A 21 5.375 -0.856 -3.298 1.00 3.43 C ATOM 303 C LEU A 21 6.682 -0.117 -3.023 1.00 71.55 C ATOM 304 O LEU A 21 6.647 1.057 -2.671 1.00 14.15 O ATOM 305 CB LEU A 21 4.923 -1.709 -2.113 1.00 22.43 C ATOM 306 CG LEU A 21 4.603 -0.963 -0.809 1.00 44.02 C ATOM 307 CD1 LEU A 21 3.773 0.304 -1.003 1.00 42.51 C ATOM 308 CD2 LEU A 21 3.814 -1.920 0.088 1.00 62.13 C ATOM 0 H LEU A 21 5.428 -2.734 -4.202 1.00 2.23 H new ATOM 0 HA LEU A 21 4.643 -0.072 -3.490 1.00 3.43 H new ATOM 0 HB2 LEU A 21 4.035 -2.266 -2.413 1.00 22.43 H new ATOM 0 HB3 LEU A 21 5.703 -2.441 -1.904 1.00 22.43 H new ATOM 0 HG LEU A 21 5.552 -0.649 -0.374 1.00 44.02 H new ATOM 0 HD11 LEU A 21 3.591 0.771 -0.035 1.00 42.51 H new ATOM 0 HD12 LEU A 21 4.314 0.999 -1.645 1.00 42.51 H new ATOM 0 HD13 LEU A 21 2.821 0.048 -1.467 1.00 42.51 H new ATOM 0 HD21 LEU A 21 3.569 -1.421 1.026 1.00 62.13 H new ATOM 0 HD22 LEU A 21 2.894 -2.216 -0.416 1.00 62.13 H new ATOM 0 HD23 LEU A 21 4.416 -2.805 0.294 1.00 62.13 H new ATOM 320 N ASP A 22 7.818 -0.782 -3.233 1.00 60.55 N ATOM 321 CA ASP A 22 9.156 -0.216 -3.050 1.00 72.32 C ATOM 322 C ASP A 22 9.311 1.069 -3.866 1.00 61.32 C ATOM 323 O ASP A 22 9.715 2.108 -3.350 1.00 43.23 O ATOM 324 CB ASP A 22 10.181 -1.284 -3.448 1.00 14.22 C ATOM 325 CG ASP A 22 11.616 -0.768 -3.567 1.00 13.24 C ATOM 326 OD1 ASP A 22 12.101 -0.098 -2.628 1.00 74.13 O ATOM 327 OD2 ASP A 22 12.252 -1.123 -4.588 1.00 40.11 O ATOM 0 H ASP A 22 7.834 -1.754 -3.543 1.00 60.55 H new ATOM 0 HA ASP A 22 9.319 0.060 -2.008 1.00 72.32 H new ATOM 0 HB2 ASP A 22 10.156 -2.087 -2.711 1.00 14.22 H new ATOM 0 HB3 ASP A 22 9.883 -1.718 -4.402 1.00 14.22 H new ATOM 332 N GLU A 23 8.873 1.036 -5.124 1.00 5.42 N ATOM 333 CA GLU A 23 8.964 2.149 -6.062 1.00 22.24 C ATOM 334 C GLU A 23 8.156 3.381 -5.655 1.00 22.23 C ATOM 335 O GLU A 23 8.411 4.481 -6.152 1.00 2.40 O ATOM 336 CB GLU A 23 8.464 1.671 -7.428 1.00 53.42 C ATOM 337 CG GLU A 23 9.613 1.222 -8.331 1.00 2.53 C ATOM 338 CD GLU A 23 9.365 1.722 -9.751 1.00 43.24 C ATOM 339 OE1 GLU A 23 8.415 1.222 -10.408 1.00 13.04 O ATOM 340 OE2 GLU A 23 10.081 2.655 -10.185 1.00 51.21 O ATOM 0 H GLU A 23 8.433 0.209 -5.528 1.00 5.42 H new ATOM 0 HA GLU A 23 10.010 2.456 -6.082 1.00 22.24 H new ATOM 0 HB2 GLU A 23 7.766 0.845 -7.290 1.00 53.42 H new ATOM 0 HB3 GLU A 23 7.913 2.476 -7.915 1.00 53.42 H new ATOM 0 HG2 GLU A 23 10.559 1.612 -7.956 1.00 2.53 H new ATOM 0 HG3 GLU A 23 9.692 0.135 -8.325 1.00 2.53 H new ATOM 347 N ILE A 24 7.173 3.220 -4.774 1.00 23.23 N ATOM 348 CA ILE A 24 6.388 4.344 -4.276 1.00 71.32 C ATOM 349 C ILE A 24 7.267 5.178 -3.320 1.00 34.30 C ATOM 350 O ILE A 24 7.095 6.392 -3.213 1.00 41.34 O ATOM 351 CB ILE A 24 5.064 3.835 -3.649 1.00 24.44 C ATOM 352 CG1 ILE A 24 4.341 2.850 -4.603 1.00 20.32 C ATOM 353 CG2 ILE A 24 4.120 5.003 -3.317 1.00 54.55 C ATOM 354 CD1 ILE A 24 2.948 2.401 -4.149 1.00 12.43 C ATOM 0 H ILE A 24 6.900 2.316 -4.389 1.00 23.23 H new ATOM 0 HA ILE A 24 6.086 5.007 -5.087 1.00 71.32 H new ATOM 0 HB ILE A 24 5.324 3.316 -2.726 1.00 24.44 H new ATOM 0 HG12 ILE A 24 4.252 3.319 -5.583 1.00 20.32 H new ATOM 0 HG13 ILE A 24 4.967 1.966 -4.728 1.00 20.32 H new ATOM 0 HG21 ILE A 24 3.201 4.615 -2.879 1.00 54.55 H new ATOM 0 HG22 ILE A 24 4.605 5.673 -2.607 1.00 54.55 H new ATOM 0 HG23 ILE A 24 3.884 5.551 -4.229 1.00 54.55 H new ATOM 0 HD11 ILE A 24 2.529 1.715 -4.885 1.00 12.43 H new ATOM 0 HD12 ILE A 24 3.024 1.898 -3.185 1.00 12.43 H new ATOM 0 HD13 ILE A 24 2.298 3.271 -4.053 1.00 12.43 H new ATOM 366 N TYR A 25 8.248 4.564 -2.659 1.00 25.11 N ATOM 367 CA TYR A 25 9.183 5.229 -1.753 1.00 32.21 C ATOM 368 C TYR A 25 10.403 5.778 -2.502 1.00 73.35 C ATOM 369 O TYR A 25 11.046 6.723 -2.048 1.00 43.34 O ATOM 370 CB TYR A 25 9.595 4.238 -0.667 1.00 11.44 C ATOM 371 CG TYR A 25 8.416 3.532 -0.026 1.00 21.44 C ATOM 372 CD1 TYR A 25 7.333 4.276 0.466 1.00 13.24 C ATOM 373 CD2 TYR A 25 8.356 2.131 -0.003 1.00 13.15 C ATOM 374 CE1 TYR A 25 6.194 3.638 0.984 1.00 75.13 C ATOM 375 CE2 TYR A 25 7.252 1.486 0.573 1.00 21.20 C ATOM 376 CZ TYR A 25 6.177 2.234 1.083 1.00 34.22 C ATOM 377 OH TYR A 25 5.128 1.605 1.674 1.00 52.13 O ATOM 0 H TYR A 25 8.419 3.562 -2.742 1.00 25.11 H new ATOM 0 HA TYR A 25 8.692 6.088 -1.296 1.00 32.21 H new ATOM 0 HB2 TYR A 25 10.265 3.494 -1.098 1.00 11.44 H new ATOM 0 HB3 TYR A 25 10.157 4.766 0.103 1.00 11.44 H new ATOM 0 HD1 TYR A 25 7.376 5.355 0.446 1.00 13.24 H new ATOM 0 HD2 TYR A 25 9.160 1.549 -0.429 1.00 13.15 H new ATOM 0 HE1 TYR A 25 5.341 4.218 1.303 1.00 75.13 H new ATOM 0 HE2 TYR A 25 7.228 0.408 0.625 1.00 21.20 H new ATOM 0 HH TYR A 25 5.276 0.636 1.657 1.00 52.13 H new ATOM 387 N VAL A 26 10.711 5.219 -3.673 1.00 71.43 N ATOM 388 CA VAL A 26 11.806 5.676 -4.524 1.00 2.44 C ATOM 389 C VAL A 26 11.461 7.010 -5.209 1.00 33.11 C ATOM 390 O VAL A 26 12.348 7.834 -5.413 1.00 3.34 O ATOM 391 CB VAL A 26 12.145 4.551 -5.527 1.00 52.24 C ATOM 392 CG1 VAL A 26 13.219 4.933 -6.546 1.00 43.32 C ATOM 393 CG2 VAL A 26 12.660 3.309 -4.785 1.00 33.40 C ATOM 0 H VAL A 26 10.199 4.426 -4.060 1.00 71.43 H new ATOM 0 HA VAL A 26 12.692 5.881 -3.923 1.00 2.44 H new ATOM 0 HB VAL A 26 11.213 4.358 -6.058 1.00 52.24 H new ATOM 0 HG11 VAL A 26 13.402 4.092 -7.215 1.00 43.32 H new ATOM 0 HG12 VAL A 26 12.881 5.791 -7.126 1.00 43.32 H new ATOM 0 HG13 VAL A 26 14.141 5.188 -6.024 1.00 43.32 H new ATOM 0 HG21 VAL A 26 12.894 2.526 -5.506 1.00 33.40 H new ATOM 0 HG22 VAL A 26 13.558 3.567 -4.224 1.00 33.40 H new ATOM 0 HG23 VAL A 26 11.893 2.952 -4.098 1.00 33.40 H new ATOM 403 N ALA A 27 10.192 7.252 -5.557 1.00 63.52 N ATOM 404 CA ALA A 27 9.801 8.318 -6.480 1.00 71.53 C ATOM 405 C ALA A 27 9.359 9.610 -5.773 1.00 62.21 C ATOM 406 O ALA A 27 8.687 10.446 -6.376 1.00 21.30 O ATOM 407 CB ALA A 27 8.740 7.775 -7.444 1.00 21.25 C ATOM 0 H ALA A 27 9.404 6.709 -5.203 1.00 63.52 H new ATOM 0 HA ALA A 27 10.681 8.617 -7.050 1.00 71.53 H new ATOM 0 HB1 ALA A 27 8.441 8.562 -8.137 1.00 21.25 H new ATOM 0 HB2 ALA A 27 9.153 6.936 -8.004 1.00 21.25 H new ATOM 0 HB3 ALA A 27 7.871 7.441 -6.878 1.00 21.25 H new ATOM 413 N GLY A 28 9.699 9.777 -4.495 1.00 43.24 N ATOM 414 CA GLY A 28 9.530 11.028 -3.769 1.00 5.53 C ATOM 415 C GLY A 28 8.072 11.418 -3.515 1.00 75.45 C ATOM 416 O GLY A 28 7.726 12.604 -3.532 1.00 45.04 O ATOM 0 H GLY A 28 10.106 9.032 -3.929 1.00 43.24 H new ATOM 0 HA2 GLY A 28 10.045 10.951 -2.812 1.00 5.53 H new ATOM 0 HA3 GLY A 28 10.015 11.828 -4.329 1.00 5.53 H new ATOM 420 N LEU A 29 7.215 10.419 -3.318 1.00 4.31 N ATOM 421 CA LEU A 29 5.802 10.522 -2.988 1.00 24.44 C ATOM 422 C LEU A 29 5.641 10.440 -1.468 1.00 61.51 C ATOM 423 O LEU A 29 5.359 11.451 -0.825 1.00 12.44 O ATOM 424 CB LEU A 29 5.038 9.376 -3.668 1.00 4.23 C ATOM 425 CG LEU A 29 5.020 9.464 -5.205 1.00 31.12 C ATOM 426 CD1 LEU A 29 5.151 8.046 -5.767 1.00 74.24 C ATOM 427 CD2 LEU A 29 3.723 10.120 -5.687 1.00 33.22 C ATOM 0 H LEU A 29 7.515 9.447 -3.391 1.00 4.31 H new ATOM 0 HA LEU A 29 5.400 11.472 -3.341 1.00 24.44 H new ATOM 0 HB2 LEU A 29 5.487 8.428 -3.373 1.00 4.23 H new ATOM 0 HB3 LEU A 29 4.011 9.369 -3.302 1.00 4.23 H new ATOM 0 HG LEU A 29 5.850 10.078 -5.555 1.00 31.12 H new ATOM 0 HD11 LEU A 29 5.141 8.084 -6.856 1.00 74.24 H new ATOM 0 HD12 LEU A 29 6.089 7.606 -5.428 1.00 74.24 H new ATOM 0 HD13 LEU A 29 4.317 7.437 -5.417 1.00 74.24 H new ATOM 0 HD21 LEU A 29 3.726 10.175 -6.776 1.00 33.22 H new ATOM 0 HD22 LEU A 29 2.870 9.527 -5.356 1.00 33.22 H new ATOM 0 HD23 LEU A 29 3.648 11.126 -5.273 1.00 33.22 H new ATOM 439 N VAL A 30 5.781 9.235 -0.901 1.00 42.13 N ATOM 440 CA VAL A 30 5.551 8.950 0.520 1.00 61.53 C ATOM 441 C VAL A 30 6.811 8.333 1.144 1.00 2.40 C ATOM 442 O VAL A 30 7.658 7.805 0.414 1.00 21.22 O ATOM 443 CB VAL A 30 4.333 8.006 0.675 1.00 72.14 C ATOM 444 CG1 VAL A 30 3.046 8.511 0.021 1.00 15.44 C ATOM 445 CG2 VAL A 30 4.577 6.636 0.039 1.00 74.53 C ATOM 0 H VAL A 30 6.064 8.411 -1.431 1.00 42.13 H new ATOM 0 HA VAL A 30 5.334 9.880 1.046 1.00 61.53 H new ATOM 0 HB VAL A 30 4.213 7.955 1.757 1.00 72.14 H new ATOM 0 HG11 VAL A 30 2.248 7.786 0.181 1.00 15.44 H new ATOM 0 HG12 VAL A 30 2.763 9.466 0.464 1.00 15.44 H new ATOM 0 HG13 VAL A 30 3.209 8.642 -1.049 1.00 15.44 H new ATOM 0 HG21 VAL A 30 3.695 6.010 0.174 1.00 74.53 H new ATOM 0 HG22 VAL A 30 4.775 6.759 -1.026 1.00 74.53 H new ATOM 0 HG23 VAL A 30 5.435 6.161 0.515 1.00 74.53 H new ATOM 455 N ALA A 31 6.904 8.318 2.477 1.00 74.14 N ATOM 456 CA ALA A 31 7.907 7.536 3.193 1.00 31.35 C ATOM 457 C ALA A 31 7.476 6.065 3.286 1.00 1.24 C ATOM 458 O ALA A 31 6.279 5.761 3.216 1.00 31.54 O ATOM 459 CB ALA A 31 8.070 8.118 4.601 1.00 45.44 C ATOM 0 H ALA A 31 6.284 8.850 3.088 1.00 74.14 H new ATOM 0 HA ALA A 31 8.854 7.582 2.656 1.00 31.35 H new ATOM 0 HB1 ALA A 31 8.817 7.543 5.148 1.00 45.44 H new ATOM 0 HB2 ALA A 31 8.392 9.157 4.530 1.00 45.44 H new ATOM 0 HB3 ALA A 31 7.117 8.069 5.128 1.00 45.44 H new ATOM 465 N HIS A 32 8.416 5.151 3.546 1.00 22.41 N ATOM 466 CA HIS A 32 8.069 3.782 3.937 1.00 12.21 C ATOM 467 C HIS A 32 7.599 3.752 5.396 1.00 32.42 C ATOM 468 O HIS A 32 6.784 2.904 5.759 1.00 43.21 O ATOM 469 CB HIS A 32 9.216 2.789 3.668 1.00 44.11 C ATOM 470 CG HIS A 32 10.115 2.541 4.854 1.00 31.10 C ATOM 471 ND1 HIS A 32 9.902 1.607 5.850 1.00 42.12 N ATOM 472 CD2 HIS A 32 11.236 3.251 5.179 1.00 5.32 C ATOM 473 CE1 HIS A 32 10.876 1.763 6.762 1.00 35.14 C ATOM 474 NE2 HIS A 32 11.702 2.758 6.401 1.00 61.41 N ATOM 0 H HIS A 32 9.418 5.333 3.493 1.00 22.41 H new ATOM 0 HA HIS A 32 7.241 3.450 3.311 1.00 12.21 H new ATOM 0 HB2 HIS A 32 8.790 1.839 3.345 1.00 44.11 H new ATOM 0 HB3 HIS A 32 9.820 3.165 2.842 1.00 44.11 H new ATOM 0 HD2 HIS A 32 11.680 4.046 4.599 1.00 5.32 H new ATOM 0 HE1 HIS A 32 10.980 1.171 7.659 1.00 35.14 H new ATOM 0 HE2 HIS A 32 12.515 3.091 6.920 1.00 61.41 H new ATOM 482 N SER A 33 8.073 4.682 6.231 1.00 74.34 N ATOM 483 CA SER A 33 7.678 4.803 7.627 1.00 14.34 C ATOM 484 C SER A 33 6.349 5.556 7.793 1.00 31.31 C ATOM 485 O SER A 33 5.901 5.759 8.920 1.00 33.12 O ATOM 486 CB SER A 33 8.823 5.479 8.397 1.00 60.34 C ATOM 487 OG SER A 33 9.240 6.691 7.779 1.00 64.54 O ATOM 0 H SER A 33 8.756 5.383 5.944 1.00 74.34 H new ATOM 0 HA SER A 33 7.500 3.809 8.037 1.00 14.34 H new ATOM 0 HB2 SER A 33 8.501 5.685 9.418 1.00 60.34 H new ATOM 0 HB3 SER A 33 9.669 4.795 8.462 1.00 60.34 H new ATOM 0 HG SER A 33 9.968 7.090 8.300 1.00 64.54 H new ATOM 493 N ASP A 34 5.728 6.022 6.702 1.00 33.45 N ATOM 494 CA ASP A 34 4.561 6.911 6.761 1.00 32.33 C ATOM 495 C ASP A 34 3.290 6.196 7.215 1.00 61.31 C ATOM 496 O ASP A 34 2.293 6.857 7.489 1.00 72.33 O ATOM 497 CB ASP A 34 4.301 7.565 5.387 1.00 75.32 C ATOM 498 CG ASP A 34 4.521 9.074 5.371 1.00 43.41 C ATOM 499 OD1 ASP A 34 4.331 9.746 6.411 1.00 24.14 O ATOM 500 OD2 ASP A 34 5.000 9.592 4.337 1.00 33.13 O ATOM 0 H ASP A 34 6.021 5.793 5.752 1.00 33.45 H new ATOM 0 HA ASP A 34 4.802 7.673 7.503 1.00 32.33 H new ATOM 0 HB2 ASP A 34 4.955 7.104 4.646 1.00 75.32 H new ATOM 0 HB3 ASP A 34 3.276 7.354 5.083 1.00 75.32 H new ATOM 505 N LEU A 35 3.296 4.859 7.239 1.00 55.35 N ATOM 506 CA LEU A 35 2.141 4.035 7.540 1.00 31.10 C ATOM 507 C LEU A 35 1.963 3.863 9.039 1.00 0.24 C ATOM 508 O LEU A 35 2.936 3.909 9.789 1.00 2.20 O ATOM 509 CB LEU A 35 2.307 2.653 6.901 1.00 1.21 C ATOM 510 CG LEU A 35 2.368 2.631 5.366 1.00 34.52 C ATOM 511 CD1 LEU A 35 1.362 3.579 4.696 1.00 32.14 C ATOM 512 CD2 LEU A 35 3.783 2.872 4.837 1.00 32.24 C ATOM 0 H LEU A 35 4.135 4.313 7.042 1.00 55.35 H new ATOM 0 HA LEU A 35 1.261 4.535 7.136 1.00 31.10 H new ATOM 0 HB2 LEU A 35 3.220 2.201 7.289 1.00 1.21 H new ATOM 0 HB3 LEU A 35 1.478 2.023 7.222 1.00 1.21 H new ATOM 0 HG LEU A 35 2.073 1.619 5.088 1.00 34.52 H new ATOM 0 HD11 LEU A 35 1.463 3.510 3.613 1.00 32.14 H new ATOM 0 HD12 LEU A 35 0.349 3.298 4.985 1.00 32.14 H new ATOM 0 HD13 LEU A 35 1.559 4.603 5.014 1.00 32.14 H new ATOM 0 HD21 LEU A 35 3.773 2.847 3.747 1.00 32.24 H new ATOM 0 HD22 LEU A 35 4.137 3.846 5.174 1.00 32.24 H new ATOM 0 HD23 LEU A 35 4.449 2.095 5.212 1.00 32.24 H new ATOM 524 N ASP A 36 0.734 3.556 9.450 1.00 2.41 N ATOM 525 CA ASP A 36 0.414 3.039 10.774 1.00 32.42 C ATOM 526 C ASP A 36 0.452 1.513 10.712 1.00 15.10 C ATOM 527 O ASP A 36 0.268 0.920 9.643 1.00 21.30 O ATOM 528 CB ASP A 36 -1.014 3.423 11.192 1.00 3.31 C ATOM 529 CG ASP A 36 -1.271 4.899 11.513 1.00 42.31 C ATOM 530 OD1 ASP A 36 -1.013 5.785 10.663 1.00 41.44 O ATOM 531 OD2 ASP A 36 -1.890 5.142 12.576 1.00 23.11 O ATOM 0 H ASP A 36 -0.086 3.664 8.854 1.00 2.41 H new ATOM 0 HA ASP A 36 1.131 3.452 11.483 1.00 32.42 H new ATOM 0 HB2 ASP A 36 -1.692 3.127 10.392 1.00 3.31 H new ATOM 0 HB3 ASP A 36 -1.280 2.834 12.070 1.00 3.31 H new ATOM 536 N GLU A 37 0.528 0.869 11.877 1.00 1.13 N ATOM 537 CA GLU A 37 0.518 -0.591 11.977 1.00 13.51 C ATOM 538 C GLU A 37 -0.802 -1.162 11.429 1.00 1.02 C ATOM 539 O GLU A 37 -0.828 -2.283 10.919 1.00 22.20 O ATOM 540 CB GLU A 37 0.748 -1.035 13.433 1.00 31.20 C ATOM 541 CG GLU A 37 1.139 -2.523 13.534 1.00 51.35 C ATOM 542 CD GLU A 37 0.981 -3.113 14.940 1.00 15.24 C ATOM 543 OE1 GLU A 37 1.441 -2.482 15.923 1.00 43.31 O ATOM 544 OE2 GLU A 37 0.434 -4.234 15.060 1.00 42.41 O ATOM 0 H GLU A 37 0.598 1.344 12.777 1.00 1.13 H new ATOM 0 HA GLU A 37 1.334 -0.984 11.371 1.00 13.51 H new ATOM 0 HB2 GLU A 37 1.534 -0.424 13.877 1.00 31.20 H new ATOM 0 HB3 GLU A 37 -0.159 -0.859 14.012 1.00 31.20 H new ATOM 0 HG2 GLU A 37 0.527 -3.097 12.839 1.00 51.35 H new ATOM 0 HG3 GLU A 37 2.175 -2.639 13.217 1.00 51.35 H new ATOM 551 N ARG A 38 -1.913 -0.409 11.492 1.00 64.14 N ATOM 552 CA ARG A 38 -3.189 -0.891 10.954 1.00 34.55 C ATOM 553 C ARG A 38 -3.097 -1.122 9.447 1.00 2.02 C ATOM 554 O ARG A 38 -3.788 -2.003 8.936 1.00 33.32 O ATOM 555 CB ARG A 38 -4.368 0.044 11.287 1.00 21.43 C ATOM 556 CG ARG A 38 -4.501 0.347 12.789 1.00 12.23 C ATOM 557 CD ARG A 38 -5.917 0.803 13.181 1.00 4.54 C ATOM 558 NE ARG A 38 -6.718 -0.315 13.723 1.00 14.32 N ATOM 559 CZ ARG A 38 -7.602 -0.210 14.724 1.00 74.11 C ATOM 560 NH1 ARG A 38 -8.152 0.965 15.014 1.00 24.22 N ATOM 561 NH2 ARG A 38 -7.954 -1.278 15.429 1.00 63.51 N ATOM 0 H ARG A 38 -1.951 0.523 11.905 1.00 64.14 H new ATOM 0 HA ARG A 38 -3.390 -1.844 11.444 1.00 34.55 H new ATOM 0 HB2 ARG A 38 -4.244 0.981 10.744 1.00 21.43 H new ATOM 0 HB3 ARG A 38 -5.293 -0.409 10.932 1.00 21.43 H new ATOM 0 HG2 ARG A 38 -4.240 -0.544 13.359 1.00 12.23 H new ATOM 0 HG3 ARG A 38 -3.785 1.122 13.064 1.00 12.23 H new ATOM 0 HD2 ARG A 38 -5.851 1.598 13.924 1.00 4.54 H new ATOM 0 HD3 ARG A 38 -6.419 1.222 12.309 1.00 4.54 H new ATOM 0 HE ARG A 38 -6.588 -1.235 13.303 1.00 14.32 H new ATOM 0 HH11 ARG A 38 -7.902 1.793 14.473 1.00 24.22 H new ATOM 0 HH12 ARG A 38 -8.825 1.039 15.777 1.00 24.22 H new ATOM 0 HH21 ARG A 38 -7.551 -2.189 15.210 1.00 63.51 H new ATOM 0 HH22 ARG A 38 -8.628 -1.188 16.189 1.00 63.51 H new ATOM 575 N ALA A 39 -2.252 -0.362 8.743 1.00 21.54 N ATOM 576 CA ALA A 39 -1.981 -0.570 7.332 1.00 31.45 C ATOM 577 C ALA A 39 -1.120 -1.821 7.148 1.00 33.32 C ATOM 578 O ALA A 39 -1.449 -2.642 6.296 1.00 20.45 O ATOM 579 CB ALA A 39 -1.302 0.668 6.738 1.00 3.24 C ATOM 0 H ALA A 39 -1.736 0.420 9.148 1.00 21.54 H new ATOM 0 HA ALA A 39 -2.920 -0.723 6.800 1.00 31.45 H new ATOM 0 HB1 ALA A 39 -1.103 0.501 5.679 1.00 3.24 H new ATOM 0 HB2 ALA A 39 -1.956 1.532 6.853 1.00 3.24 H new ATOM 0 HB3 ALA A 39 -0.362 0.853 7.259 1.00 3.24 H new ATOM 585 N ILE A 40 -0.043 -1.979 7.930 1.00 11.13 N ATOM 586 CA ILE A 40 0.862 -3.134 7.832 1.00 43.45 C ATOM 587 C ILE A 40 0.080 -4.438 8.027 1.00 43.35 C ATOM 588 O ILE A 40 0.357 -5.435 7.354 1.00 1.20 O ATOM 589 CB ILE A 40 2.013 -3.022 8.865 1.00 55.31 C ATOM 590 CG1 ILE A 40 2.732 -1.655 8.848 1.00 34.40 C ATOM 591 CG2 ILE A 40 3.058 -4.144 8.708 1.00 33.52 C ATOM 592 CD1 ILE A 40 3.275 -1.188 7.492 1.00 0.15 C ATOM 0 H ILE A 40 0.226 -1.308 8.650 1.00 11.13 H new ATOM 0 HA ILE A 40 1.306 -3.142 6.836 1.00 43.45 H new ATOM 0 HB ILE A 40 1.516 -3.127 9.830 1.00 55.31 H new ATOM 0 HG12 ILE A 40 2.038 -0.899 9.217 1.00 34.40 H new ATOM 0 HG13 ILE A 40 3.562 -1.697 9.553 1.00 34.40 H new ATOM 0 HG21 ILE A 40 3.842 -4.019 9.455 1.00 33.52 H new ATOM 0 HG22 ILE A 40 2.576 -5.112 8.846 1.00 33.52 H new ATOM 0 HG23 ILE A 40 3.496 -4.096 7.711 1.00 33.52 H new ATOM 0 HD11 ILE A 40 3.757 -0.217 7.608 1.00 0.15 H new ATOM 0 HD12 ILE A 40 4.001 -1.912 7.122 1.00 0.15 H new ATOM 0 HD13 ILE A 40 2.453 -1.102 6.781 1.00 0.15 H new ATOM 604 N GLU A 41 -0.888 -4.438 8.943 1.00 61.13 N ATOM 605 CA GLU A 41 -1.713 -5.598 9.224 1.00 4.52 C ATOM 606 C GLU A 41 -2.714 -5.830 8.096 1.00 44.11 C ATOM 607 O GLU A 41 -2.734 -6.906 7.498 1.00 2.33 O ATOM 608 CB GLU A 41 -2.404 -5.403 10.583 1.00 51.43 C ATOM 609 CG GLU A 41 -2.851 -6.739 11.180 1.00 40.14 C ATOM 610 CD GLU A 41 -1.655 -7.508 11.743 1.00 13.13 C ATOM 611 OE1 GLU A 41 -0.863 -8.072 10.958 1.00 45.33 O ATOM 612 OE2 GLU A 41 -1.478 -7.500 12.982 1.00 41.32 O ATOM 0 H GLU A 41 -1.118 -3.623 9.512 1.00 61.13 H new ATOM 0 HA GLU A 41 -1.093 -6.492 9.280 1.00 4.52 H new ATOM 0 HB2 GLU A 41 -1.721 -4.905 11.272 1.00 51.43 H new ATOM 0 HB3 GLU A 41 -3.268 -4.749 10.463 1.00 51.43 H new ATOM 0 HG2 GLU A 41 -3.581 -6.564 11.970 1.00 40.14 H new ATOM 0 HG3 GLU A 41 -3.346 -7.337 10.415 1.00 40.14 H new ATOM 619 N ALA A 42 -3.509 -4.809 7.758 1.00 72.54 N ATOM 620 CA ALA A 42 -4.550 -4.926 6.742 1.00 0.30 C ATOM 621 C ALA A 42 -3.978 -5.263 5.361 1.00 62.55 C ATOM 622 O ALA A 42 -4.705 -5.801 4.526 1.00 2.44 O ATOM 623 CB ALA A 42 -5.345 -3.625 6.679 1.00 53.22 C ATOM 0 H ALA A 42 -3.446 -3.883 8.182 1.00 72.54 H new ATOM 0 HA ALA A 42 -5.204 -5.750 7.027 1.00 0.30 H new ATOM 0 HB1 ALA A 42 -6.123 -3.710 5.921 1.00 53.22 H new ATOM 0 HB2 ALA A 42 -5.803 -3.431 7.649 1.00 53.22 H new ATOM 0 HB3 ALA A 42 -4.677 -2.803 6.423 1.00 53.22 H new ATOM 629 N LEU A 43 -2.691 -4.990 5.127 1.00 51.21 N ATOM 630 CA LEU A 43 -1.958 -5.403 3.940 1.00 42.23 C ATOM 631 C LEU A 43 -1.868 -6.925 3.832 1.00 34.10 C ATOM 632 O LEU A 43 -2.044 -7.444 2.728 1.00 53.51 O ATOM 633 CB LEU A 43 -0.550 -4.777 3.943 1.00 72.43 C ATOM 634 CG LEU A 43 -0.505 -3.456 3.159 1.00 3.35 C ATOM 635 CD1 LEU A 43 0.731 -2.634 3.544 1.00 74.43 C ATOM 636 CD2 LEU A 43 -0.516 -3.673 1.638 1.00 22.44 C ATOM 0 H LEU A 43 -2.118 -4.459 5.783 1.00 51.21 H new ATOM 0 HA LEU A 43 -2.505 -5.046 3.068 1.00 42.23 H new ATOM 0 HB2 LEU A 43 -0.235 -4.599 4.971 1.00 72.43 H new ATOM 0 HB3 LEU A 43 0.160 -5.481 3.509 1.00 72.43 H new ATOM 0 HG LEU A 43 -1.409 -2.910 3.428 1.00 3.35 H new ATOM 0 HD11 LEU A 43 0.741 -1.704 2.976 1.00 74.43 H new ATOM 0 HD12 LEU A 43 0.700 -2.408 4.610 1.00 74.43 H new ATOM 0 HD13 LEU A 43 1.632 -3.205 3.320 1.00 74.43 H new ATOM 0 HD21 LEU A 43 -0.483 -2.708 1.133 1.00 22.44 H new ATOM 0 HD22 LEU A 43 0.353 -4.264 1.349 1.00 22.44 H new ATOM 0 HD23 LEU A 43 -1.426 -4.201 1.352 1.00 22.44 H new ATOM 648 N LYS A 44 -1.595 -7.656 4.925 1.00 40.45 N ATOM 649 CA LYS A 44 -1.641 -9.121 4.877 1.00 63.15 C ATOM 650 C LYS A 44 -3.078 -9.618 4.744 1.00 51.05 C ATOM 651 O LYS A 44 -3.299 -10.707 4.211 1.00 31.13 O ATOM 652 CB LYS A 44 -0.960 -9.789 6.083 1.00 42.03 C ATOM 653 CG LYS A 44 0.505 -10.144 5.771 1.00 2.23 C ATOM 654 CD LYS A 44 1.508 -9.179 6.397 1.00 14.31 C ATOM 655 CE LYS A 44 2.103 -9.691 7.718 1.00 23.44 C ATOM 656 NZ LYS A 44 1.114 -10.209 8.688 1.00 61.34 N ATOM 0 H LYS A 44 -1.345 -7.264 5.833 1.00 40.45 H new ATOM 0 HA LYS A 44 -1.074 -9.411 3.992 1.00 63.15 H new ATOM 0 HB2 LYS A 44 -0.999 -9.120 6.942 1.00 42.03 H new ATOM 0 HB3 LYS A 44 -1.505 -10.692 6.357 1.00 42.03 H new ATOM 0 HG2 LYS A 44 0.711 -11.153 6.128 1.00 2.23 H new ATOM 0 HG3 LYS A 44 0.647 -10.154 4.690 1.00 2.23 H new ATOM 0 HD2 LYS A 44 2.317 -8.997 5.689 1.00 14.31 H new ATOM 0 HD3 LYS A 44 1.018 -8.222 6.574 1.00 14.31 H new ATOM 0 HE2 LYS A 44 2.819 -10.482 7.494 1.00 23.44 H new ATOM 0 HE3 LYS A 44 2.660 -8.880 8.187 1.00 23.44 H new ATOM 0 HZ1 LYS A 44 1.595 -10.452 9.578 1.00 61.34 H new ATOM 0 HZ2 LYS A 44 0.394 -9.482 8.871 1.00 61.34 H new ATOM 0 HZ3 LYS A 44 0.657 -11.058 8.298 1.00 61.34 H new ATOM 670 N GLU A 45 -4.076 -8.842 5.167 1.00 41.14 N ATOM 671 CA GLU A 45 -5.485 -9.159 4.933 1.00 62.43 C ATOM 672 C GLU A 45 -5.901 -8.846 3.483 1.00 14.11 C ATOM 673 O GLU A 45 -7.034 -8.419 3.245 1.00 43.42 O ATOM 674 CB GLU A 45 -6.396 -8.431 5.926 1.00 34.13 C ATOM 675 CG GLU A 45 -6.074 -8.662 7.402 1.00 51.25 C ATOM 676 CD GLU A 45 -7.261 -8.257 8.278 1.00 2.40 C ATOM 677 OE1 GLU A 45 -7.529 -7.043 8.459 1.00 0.22 O ATOM 678 OE2 GLU A 45 -7.963 -9.153 8.800 1.00 23.20 O ATOM 0 H GLU A 45 -3.930 -7.974 5.683 1.00 41.14 H new ATOM 0 HA GLU A 45 -5.603 -10.231 5.092 1.00 62.43 H new ATOM 0 HB2 GLU A 45 -6.344 -7.361 5.723 1.00 34.13 H new ATOM 0 HB3 GLU A 45 -7.425 -8.741 5.743 1.00 34.13 H new ATOM 0 HG2 GLU A 45 -5.833 -9.712 7.568 1.00 51.25 H new ATOM 0 HG3 GLU A 45 -5.193 -8.085 7.683 1.00 51.25 H new ATOM 685 N PHE A 46 -5.004 -9.034 2.514 1.00 44.44 N ATOM 686 CA PHE A 46 -5.326 -9.081 1.100 1.00 1.13 C ATOM 687 C PHE A 46 -4.596 -10.268 0.479 1.00 55.03 C ATOM 688 O PHE A 46 -3.527 -10.668 0.959 1.00 13.52 O ATOM 689 CB PHE A 46 -4.899 -7.787 0.399 1.00 2.53 C ATOM 690 CG PHE A 46 -5.815 -6.615 0.653 1.00 71.13 C ATOM 691 CD1 PHE A 46 -7.100 -6.611 0.085 1.00 51.22 C ATOM 692 CD2 PHE A 46 -5.403 -5.545 1.464 1.00 2.52 C ATOM 693 CE1 PHE A 46 -7.973 -5.543 0.332 1.00 40.51 C ATOM 694 CE2 PHE A 46 -6.268 -4.460 1.690 1.00 51.02 C ATOM 695 CZ PHE A 46 -7.554 -4.463 1.122 1.00 11.11 C ATOM 0 H PHE A 46 -4.010 -9.160 2.703 1.00 44.44 H new ATOM 0 HA PHE A 46 -6.404 -9.190 0.979 1.00 1.13 H new ATOM 0 HB2 PHE A 46 -3.893 -7.525 0.726 1.00 2.53 H new ATOM 0 HB3 PHE A 46 -4.848 -7.968 -0.675 1.00 2.53 H new ATOM 0 HD1 PHE A 46 -7.415 -7.432 -0.542 1.00 51.22 H new ATOM 0 HD2 PHE A 46 -4.421 -5.556 1.914 1.00 2.52 H new ATOM 0 HE1 PHE A 46 -8.969 -5.552 -0.086 1.00 40.51 H new ATOM 0 HE2 PHE A 46 -5.946 -3.627 2.298 1.00 51.02 H new ATOM 0 HZ PHE A 46 -8.221 -3.631 1.295 1.00 11.11 H new ATOM 705 N ASN A 47 -5.171 -10.819 -0.590 1.00 64.53 N ATOM 706 CA ASN A 47 -4.451 -11.678 -1.521 1.00 32.12 C ATOM 707 C ASN A 47 -3.619 -10.829 -2.465 1.00 62.21 C ATOM 708 O ASN A 47 -3.701 -9.604 -2.458 1.00 35.30 O ATOM 709 CB ASN A 47 -5.404 -12.538 -2.359 1.00 0.12 C ATOM 710 CG ASN A 47 -6.321 -11.733 -3.273 1.00 33.43 C ATOM 711 OD1 ASN A 47 -7.049 -10.853 -2.822 1.00 24.40 O ATOM 712 ND2 ASN A 47 -6.321 -11.995 -4.566 1.00 64.53 N ATOM 0 H ASN A 47 -6.152 -10.680 -0.832 1.00 64.53 H new ATOM 0 HA ASN A 47 -3.816 -12.336 -0.928 1.00 32.12 H new ATOM 0 HB2 ASN A 47 -4.817 -13.228 -2.966 1.00 0.12 H new ATOM 0 HB3 ASN A 47 -6.015 -13.143 -1.690 1.00 0.12 H new ATOM 0 HD21 ASN A 47 -6.927 -11.466 -5.194 1.00 64.53 H new ATOM 0 HD22 ASN A 47 -5.715 -12.726 -4.938 1.00 64.53 H new ATOM 719 N GLU A 48 -2.864 -11.509 -3.318 1.00 52.33 N ATOM 720 CA GLU A 48 -1.932 -10.942 -4.256 1.00 2.21 C ATOM 721 C GLU A 48 -2.617 -9.936 -5.181 1.00 73.25 C ATOM 722 O GLU A 48 -2.272 -8.758 -5.166 1.00 1.40 O ATOM 723 CB GLU A 48 -1.298 -12.112 -5.015 1.00 5.13 C ATOM 724 CG GLU A 48 -0.011 -11.629 -5.652 1.00 45.52 C ATOM 725 CD GLU A 48 0.708 -12.728 -6.432 1.00 23.24 C ATOM 726 OE1 GLU A 48 0.108 -13.329 -7.359 1.00 40.43 O ATOM 727 OE2 GLU A 48 1.889 -12.983 -6.114 1.00 5.32 O ATOM 0 H GLU A 48 -2.895 -12.527 -3.369 1.00 52.33 H new ATOM 0 HA GLU A 48 -1.155 -10.373 -3.745 1.00 2.21 H new ATOM 0 HB2 GLU A 48 -1.097 -12.940 -4.335 1.00 5.13 H new ATOM 0 HB3 GLU A 48 -1.982 -12.484 -5.778 1.00 5.13 H new ATOM 0 HG2 GLU A 48 -0.231 -10.798 -6.322 1.00 45.52 H new ATOM 0 HG3 GLU A 48 0.652 -11.246 -4.876 1.00 45.52 H new ATOM 734 N ASP A 49 -3.602 -10.387 -5.964 1.00 34.31 N ATOM 735 CA ASP A 49 -4.340 -9.530 -6.893 1.00 11.23 C ATOM 736 C ASP A 49 -5.189 -8.497 -6.147 1.00 2.03 C ATOM 737 O ASP A 49 -5.492 -7.430 -6.681 1.00 55.03 O ATOM 738 CB ASP A 49 -5.248 -10.385 -7.773 1.00 33.31 C ATOM 739 CG ASP A 49 -5.940 -9.586 -8.876 1.00 54.44 C ATOM 740 OD1 ASP A 49 -5.290 -8.713 -9.501 1.00 0.55 O ATOM 741 OD2 ASP A 49 -7.119 -9.899 -9.155 1.00 52.35 O ATOM 0 H ASP A 49 -3.910 -11.359 -5.970 1.00 34.31 H new ATOM 0 HA ASP A 49 -3.613 -8.999 -7.508 1.00 11.23 H new ATOM 0 HB2 ASP A 49 -4.659 -11.183 -8.226 1.00 33.31 H new ATOM 0 HB3 ASP A 49 -6.004 -10.862 -7.149 1.00 33.31 H new ATOM 746 N GLY A 50 -5.550 -8.804 -4.897 1.00 13.42 N ATOM 747 CA GLY A 50 -6.177 -7.869 -3.985 1.00 24.34 C ATOM 748 C GLY A 50 -5.266 -6.666 -3.792 1.00 0.13 C ATOM 749 O GLY A 50 -5.548 -5.567 -4.269 1.00 52.43 O ATOM 0 H GLY A 50 -5.408 -9.729 -4.492 1.00 13.42 H new ATOM 0 HA2 GLY A 50 -7.141 -7.549 -4.380 1.00 24.34 H new ATOM 0 HA3 GLY A 50 -6.369 -8.352 -3.027 1.00 24.34 H new ATOM 753 N ALA A 51 -4.145 -6.897 -3.109 1.00 41.42 N ATOM 754 CA ALA A 51 -3.156 -5.895 -2.759 1.00 13.03 C ATOM 755 C ALA A 51 -2.631 -5.170 -3.997 1.00 31.43 C ATOM 756 O ALA A 51 -2.458 -3.955 -3.949 1.00 52.02 O ATOM 757 CB ALA A 51 -2.016 -6.564 -1.989 1.00 11.11 C ATOM 0 H ALA A 51 -3.897 -7.828 -2.774 1.00 41.42 H new ATOM 0 HA ALA A 51 -3.626 -5.141 -2.127 1.00 13.03 H new ATOM 0 HB1 ALA A 51 -1.269 -5.816 -1.723 1.00 11.11 H new ATOM 0 HB2 ALA A 51 -2.410 -7.023 -1.082 1.00 11.11 H new ATOM 0 HB3 ALA A 51 -1.556 -7.330 -2.613 1.00 11.11 H new ATOM 763 N LEU A 52 -2.378 -5.886 -5.095 1.00 20.24 N ATOM 764 CA LEU A 52 -1.882 -5.289 -6.329 1.00 2.15 C ATOM 765 C LEU A 52 -2.874 -4.283 -6.901 1.00 2.11 C ATOM 766 O LEU A 52 -2.434 -3.237 -7.388 1.00 63.55 O ATOM 767 CB LEU A 52 -1.587 -6.367 -7.375 1.00 71.51 C ATOM 768 CG LEU A 52 -0.276 -7.133 -7.146 1.00 43.31 C ATOM 769 CD1 LEU A 52 -0.234 -8.342 -8.080 1.00 64.41 C ATOM 770 CD2 LEU A 52 0.955 -6.258 -7.412 1.00 3.03 C ATOM 0 H LEU A 52 -2.512 -6.896 -5.150 1.00 20.24 H new ATOM 0 HA LEU A 52 -0.959 -4.764 -6.084 1.00 2.15 H new ATOM 0 HB2 LEU A 52 -2.412 -7.079 -7.387 1.00 71.51 H new ATOM 0 HB3 LEU A 52 -1.554 -5.901 -8.360 1.00 71.51 H new ATOM 0 HG LEU A 52 -0.250 -7.444 -6.102 1.00 43.31 H new ATOM 0 HD11 LEU A 52 0.694 -8.891 -7.923 1.00 64.41 H new ATOM 0 HD12 LEU A 52 -1.081 -8.994 -7.869 1.00 64.41 H new ATOM 0 HD13 LEU A 52 -0.285 -8.004 -9.115 1.00 64.41 H new ATOM 0 HD21 LEU A 52 1.860 -6.840 -7.238 1.00 3.03 H new ATOM 0 HD22 LEU A 52 0.939 -5.912 -8.446 1.00 3.03 H new ATOM 0 HD23 LEU A 52 0.942 -5.398 -6.742 1.00 3.03 H new ATOM 782 N ALA A 53 -4.179 -4.568 -6.843 1.00 55.34 N ATOM 783 CA ALA A 53 -5.181 -3.587 -7.238 1.00 60.22 C ATOM 784 C ALA A 53 -5.104 -2.363 -6.324 1.00 65.22 C ATOM 785 O ALA A 53 -5.041 -1.243 -6.824 1.00 2.45 O ATOM 786 CB ALA A 53 -6.575 -4.205 -7.215 1.00 75.22 C ATOM 0 H ALA A 53 -4.558 -5.461 -6.529 1.00 55.34 H new ATOM 0 HA ALA A 53 -4.978 -3.265 -8.259 1.00 60.22 H new ATOM 0 HB1 ALA A 53 -7.310 -3.457 -7.513 1.00 75.22 H new ATOM 0 HB2 ALA A 53 -6.612 -5.046 -7.908 1.00 75.22 H new ATOM 0 HB3 ALA A 53 -6.801 -4.555 -6.208 1.00 75.22 H new ATOM 792 N VAL A 54 -5.043 -2.560 -4.999 1.00 53.03 N ATOM 793 CA VAL A 54 -4.945 -1.453 -4.044 1.00 14.40 C ATOM 794 C VAL A 54 -3.738 -0.563 -4.372 1.00 2.04 C ATOM 795 O VAL A 54 -3.839 0.657 -4.271 1.00 0.40 O ATOM 796 CB VAL A 54 -4.878 -1.955 -2.581 1.00 20.20 C ATOM 797 CG1 VAL A 54 -5.039 -0.809 -1.568 1.00 73.52 C ATOM 798 CG2 VAL A 54 -5.926 -3.026 -2.238 1.00 52.42 C ATOM 0 H VAL A 54 -5.060 -3.483 -4.565 1.00 53.03 H new ATOM 0 HA VAL A 54 -5.853 -0.858 -4.139 1.00 14.40 H new ATOM 0 HB VAL A 54 -3.886 -2.401 -2.505 1.00 20.20 H new ATOM 0 HG11 VAL A 54 -4.985 -1.208 -0.555 1.00 73.52 H new ATOM 0 HG12 VAL A 54 -4.242 -0.080 -1.713 1.00 73.52 H new ATOM 0 HG13 VAL A 54 -6.004 -0.325 -1.717 1.00 73.52 H new ATOM 0 HG21 VAL A 54 -5.813 -3.325 -1.196 1.00 52.42 H new ATOM 0 HG22 VAL A 54 -6.926 -2.620 -2.393 1.00 52.42 H new ATOM 0 HG23 VAL A 54 -5.784 -3.894 -2.882 1.00 52.42 H new ATOM 808 N LEU A 55 -2.595 -1.146 -4.746 1.00 20.24 N ATOM 809 CA LEU A 55 -1.359 -0.412 -5.002 1.00 63.53 C ATOM 810 C LEU A 55 -1.507 0.420 -6.263 1.00 14.15 C ATOM 811 O LEU A 55 -1.146 1.600 -6.253 1.00 33.44 O ATOM 812 CB LEU A 55 -0.148 -1.349 -5.164 1.00 11.50 C ATOM 813 CG LEU A 55 0.379 -2.014 -3.883 1.00 21.30 C ATOM 814 CD1 LEU A 55 1.711 -2.698 -4.200 1.00 21.33 C ATOM 815 CD2 LEU A 55 0.595 -1.021 -2.737 1.00 64.11 C ATOM 0 H LEU A 55 -2.504 -2.153 -4.880 1.00 20.24 H new ATOM 0 HA LEU A 55 -1.180 0.228 -4.138 1.00 63.53 H new ATOM 0 HB2 LEU A 55 -0.416 -2.134 -5.871 1.00 11.50 H new ATOM 0 HB3 LEU A 55 0.666 -0.780 -5.613 1.00 11.50 H new ATOM 0 HG LEU A 55 -0.375 -2.729 -3.553 1.00 21.30 H new ATOM 0 HD11 LEU A 55 2.098 -3.175 -3.300 1.00 21.33 H new ATOM 0 HD12 LEU A 55 1.558 -3.451 -4.973 1.00 21.33 H new ATOM 0 HD13 LEU A 55 2.426 -1.955 -4.553 1.00 21.33 H new ATOM 0 HD21 LEU A 55 0.968 -1.552 -1.861 1.00 64.11 H new ATOM 0 HD22 LEU A 55 1.321 -0.267 -3.041 1.00 64.11 H new ATOM 0 HD23 LEU A 55 -0.350 -0.536 -2.493 1.00 64.11 H new ATOM 827 N GLN A 56 -2.051 -0.182 -7.321 1.00 73.23 N ATOM 828 CA GLN A 56 -2.331 0.516 -8.559 1.00 0.40 C ATOM 829 C GLN A 56 -3.274 1.677 -8.284 1.00 42.14 C ATOM 830 O GLN A 56 -2.968 2.796 -8.673 1.00 32.42 O ATOM 831 CB GLN A 56 -2.918 -0.456 -9.582 1.00 4.51 C ATOM 832 CG GLN A 56 -3.222 0.220 -10.923 1.00 20.33 C ATOM 833 CD GLN A 56 -3.721 -0.824 -11.911 1.00 63.44 C ATOM 834 OE1 GLN A 56 -2.960 -1.364 -12.713 1.00 23.45 O ATOM 835 NE2 GLN A 56 -4.999 -1.166 -11.848 1.00 53.02 N ATOM 0 H GLN A 56 -2.307 -1.169 -7.336 1.00 73.23 H new ATOM 0 HA GLN A 56 -1.408 0.919 -8.976 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -2.219 -1.277 -9.742 1.00 4.51 H new ATOM 0 HB3 GLN A 56 -3.834 -0.891 -9.182 1.00 4.51 H new ATOM 0 HG2 GLN A 56 -3.973 0.999 -10.789 1.00 20.33 H new ATOM 0 HG3 GLN A 56 -2.326 0.705 -11.310 1.00 20.33 H new ATOM 0 HE21 GLN A 56 -5.617 -0.709 -11.177 1.00 53.02 H new ATOM 0 HE22 GLN A 56 -5.365 -1.887 -12.470 1.00 53.02 H new ATOM 844 N GLN A 57 -4.401 1.437 -7.612 1.00 13.10 N ATOM 845 CA GLN A 57 -5.430 2.468 -7.483 1.00 34.13 C ATOM 846 C GLN A 57 -4.965 3.612 -6.575 1.00 20.14 C ATOM 847 O GLN A 57 -5.356 4.763 -6.750 1.00 35.51 O ATOM 848 CB GLN A 57 -6.729 1.835 -6.973 1.00 13.54 C ATOM 849 CG GLN A 57 -7.950 2.664 -7.397 1.00 41.24 C ATOM 850 CD GLN A 57 -9.264 2.019 -6.956 1.00 20.40 C ATOM 851 OE1 GLN A 57 -9.989 1.415 -7.743 1.00 14.52 O ATOM 852 NE2 GLN A 57 -9.620 2.152 -5.688 1.00 60.11 N ATOM 0 H GLN A 57 -4.622 0.552 -7.155 1.00 13.10 H new ATOM 0 HA GLN A 57 -5.617 2.904 -8.464 1.00 34.13 H new ATOM 0 HB2 GLN A 57 -6.821 0.821 -7.362 1.00 13.54 H new ATOM 0 HB3 GLN A 57 -6.697 1.757 -5.886 1.00 13.54 H new ATOM 0 HG2 GLN A 57 -7.876 3.664 -6.969 1.00 41.24 H new ATOM 0 HG3 GLN A 57 -7.950 2.781 -8.481 1.00 41.24 H new ATOM 0 HE21 GLN A 57 -9.015 2.654 -5.038 1.00 60.11 H new ATOM 0 HE22 GLN A 57 -10.499 1.752 -5.361 1.00 60.11 H new ATOM 861 N PHE A 58 -4.118 3.287 -5.600 1.00 34.11 N ATOM 862 CA PHE A 58 -3.457 4.241 -4.718 1.00 0.33 C ATOM 863 C PHE A 58 -2.452 5.110 -5.490 1.00 41.05 C ATOM 864 O PHE A 58 -2.347 6.313 -5.234 1.00 71.22 O ATOM 865 CB PHE A 58 -2.793 3.449 -3.583 1.00 74.33 C ATOM 866 CG PHE A 58 -1.883 4.231 -2.665 1.00 2.50 C ATOM 867 CD1 PHE A 58 -2.414 5.189 -1.780 1.00 40.01 C ATOM 868 CD2 PHE A 58 -0.499 3.968 -2.670 1.00 35.24 C ATOM 869 CE1 PHE A 58 -1.554 5.900 -0.924 1.00 3.14 C ATOM 870 CE2 PHE A 58 0.351 4.691 -1.819 1.00 63.31 C ATOM 871 CZ PHE A 58 -0.172 5.668 -0.965 1.00 4.43 C ATOM 0 H PHE A 58 -3.866 2.320 -5.397 1.00 34.11 H new ATOM 0 HA PHE A 58 -4.184 4.935 -4.296 1.00 0.33 H new ATOM 0 HB2 PHE A 58 -3.578 2.993 -2.980 1.00 74.33 H new ATOM 0 HB3 PHE A 58 -2.217 2.636 -4.025 1.00 74.33 H new ATOM 0 HD1 PHE A 58 -3.477 5.377 -1.759 1.00 40.01 H new ATOM 0 HD2 PHE A 58 -0.093 3.212 -3.327 1.00 35.24 H new ATOM 0 HE1 PHE A 58 -1.959 6.626 -0.234 1.00 3.14 H new ATOM 0 HE2 PHE A 58 1.413 4.493 -1.823 1.00 63.31 H new ATOM 0 HZ PHE A 58 0.490 6.245 -0.336 1.00 4.43 H new ATOM 881 N LYS A 59 -1.703 4.528 -6.435 1.00 3.33 N ATOM 882 CA LYS A 59 -0.851 5.285 -7.349 1.00 11.43 C ATOM 883 C LYS A 59 -1.711 6.113 -8.304 1.00 60.43 C ATOM 884 O LYS A 59 -1.429 7.295 -8.486 1.00 0.42 O ATOM 885 CB LYS A 59 0.108 4.346 -8.095 1.00 54.05 C ATOM 886 CG LYS A 59 1.252 5.112 -8.790 1.00 14.35 C ATOM 887 CD LYS A 59 2.589 5.119 -8.028 1.00 53.15 C ATOM 888 CE LYS A 59 2.566 5.887 -6.703 1.00 21.11 C ATOM 889 NZ LYS A 59 2.178 7.304 -6.852 1.00 14.23 N ATOM 0 H LYS A 59 -1.673 3.519 -6.584 1.00 3.33 H new ATOM 0 HA LYS A 59 -0.236 5.979 -6.777 1.00 11.43 H new ATOM 0 HB2 LYS A 59 0.529 3.627 -7.392 1.00 54.05 H new ATOM 0 HB3 LYS A 59 -0.449 3.776 -8.838 1.00 54.05 H new ATOM 0 HG2 LYS A 59 1.415 4.675 -9.775 1.00 14.35 H new ATOM 0 HG3 LYS A 59 0.935 6.143 -8.947 1.00 14.35 H new ATOM 0 HD2 LYS A 59 2.884 4.089 -7.830 1.00 53.15 H new ATOM 0 HD3 LYS A 59 3.356 5.552 -8.670 1.00 53.15 H new ATOM 0 HE2 LYS A 59 1.871 5.398 -6.020 1.00 21.11 H new ATOM 0 HE3 LYS A 59 3.553 5.835 -6.244 1.00 21.11 H new ATOM 0 HZ1 LYS A 59 2.084 7.739 -5.912 1.00 14.23 H new ATOM 0 HZ2 LYS A 59 2.908 7.808 -7.395 1.00 14.23 H new ATOM 0 HZ3 LYS A 59 1.269 7.364 -7.354 1.00 14.23 H new ATOM 903 N ASP A 60 -2.781 5.542 -8.854 1.00 4.21 N ATOM 904 CA ASP A 60 -3.771 6.194 -9.714 1.00 41.32 C ATOM 905 C ASP A 60 -4.728 7.047 -8.869 1.00 0.42 C ATOM 906 O ASP A 60 -5.944 7.069 -9.086 1.00 41.15 O ATOM 907 CB ASP A 60 -4.528 5.153 -10.574 1.00 3.13 C ATOM 908 CG ASP A 60 -3.736 4.645 -11.780 1.00 44.15 C ATOM 909 OD1 ASP A 60 -2.870 5.392 -12.297 1.00 24.30 O ATOM 910 OD2 ASP A 60 -4.056 3.536 -12.273 1.00 63.33 O ATOM 0 H ASP A 60 -2.994 4.556 -8.704 1.00 4.21 H new ATOM 0 HA ASP A 60 -3.254 6.861 -10.404 1.00 41.32 H new ATOM 0 HB2 ASP A 60 -4.796 4.304 -9.945 1.00 3.13 H new ATOM 0 HB3 ASP A 60 -5.460 5.596 -10.925 1.00 3.13 H new ATOM 915 N SER A 61 -4.182 7.837 -7.952 1.00 61.34 N ATOM 916 CA SER A 61 -4.848 8.865 -7.183 1.00 14.11 C ATOM 917 C SER A 61 -3.999 10.136 -7.272 1.00 15.00 C ATOM 918 O SER A 61 -2.992 10.190 -7.984 1.00 33.51 O ATOM 919 CB SER A 61 -5.028 8.376 -5.736 1.00 33.34 C ATOM 920 OG SER A 61 -6.369 8.561 -5.311 1.00 45.21 O ATOM 0 H SER A 61 -3.193 7.766 -7.715 1.00 61.34 H new ATOM 0 HA SER A 61 -5.842 9.085 -7.572 1.00 14.11 H new ATOM 0 HB2 SER A 61 -4.761 7.322 -5.667 1.00 33.34 H new ATOM 0 HB3 SER A 61 -4.353 8.920 -5.076 1.00 33.34 H new ATOM 0 HG SER A 61 -6.467 8.243 -4.389 1.00 45.21 H new ATOM 926 N ASP A 62 -4.394 11.169 -6.537 1.00 12.24 N ATOM 927 CA ASP A 62 -3.682 12.424 -6.433 1.00 51.01 C ATOM 928 C ASP A 62 -3.306 12.648 -4.977 1.00 32.22 C ATOM 929 O ASP A 62 -4.165 12.847 -4.112 1.00 12.44 O ATOM 930 CB ASP A 62 -4.470 13.602 -6.999 1.00 21.41 C ATOM 931 CG ASP A 62 -3.663 14.858 -6.701 1.00 42.33 C ATOM 932 OD1 ASP A 62 -2.506 14.958 -7.174 1.00 33.40 O ATOM 933 OD2 ASP A 62 -4.140 15.680 -5.890 1.00 54.34 O ATOM 0 H ASP A 62 -5.249 11.149 -5.981 1.00 12.24 H new ATOM 0 HA ASP A 62 -2.781 12.363 -7.043 1.00 51.01 H new ATOM 0 HB2 ASP A 62 -4.621 13.486 -8.072 1.00 21.41 H new ATOM 0 HB3 ASP A 62 -5.458 13.661 -6.543 1.00 21.41 H new ATOM 938 N LEU A 63 -2.001 12.591 -4.726 1.00 53.52 N ATOM 939 CA LEU A 63 -1.385 12.793 -3.421 1.00 43.21 C ATOM 940 C LEU A 63 -0.919 14.251 -3.271 1.00 34.43 C ATOM 941 O LEU A 63 0.029 14.546 -2.542 1.00 64.54 O ATOM 942 CB LEU A 63 -0.258 11.764 -3.215 1.00 20.32 C ATOM 943 CG LEU A 63 -0.751 10.301 -3.217 1.00 71.42 C ATOM 944 CD1 LEU A 63 0.429 9.340 -3.314 1.00 5.01 C ATOM 945 CD2 LEU A 63 -1.560 9.936 -1.968 1.00 44.12 C ATOM 0 H LEU A 63 -1.317 12.395 -5.457 1.00 53.52 H new ATOM 0 HA LEU A 63 -2.115 12.625 -2.629 1.00 43.21 H new ATOM 0 HB2 LEU A 63 0.486 11.889 -4.002 1.00 20.32 H new ATOM 0 HB3 LEU A 63 0.242 11.969 -2.268 1.00 20.32 H new ATOM 0 HG LEU A 63 -1.403 10.210 -4.086 1.00 71.42 H new ATOM 0 HD11 LEU A 63 0.063 8.313 -3.314 1.00 5.01 H new ATOM 0 HD12 LEU A 63 0.978 9.530 -4.236 1.00 5.01 H new ATOM 0 HD13 LEU A 63 1.091 9.489 -2.461 1.00 5.01 H new ATOM 0 HD21 LEU A 63 -1.877 8.895 -2.031 1.00 44.12 H new ATOM 0 HD22 LEU A 63 -0.942 10.074 -1.081 1.00 44.12 H new ATOM 0 HD23 LEU A 63 -2.438 10.579 -1.902 1.00 44.12 H new ATOM 957 N SER A 64 -1.609 15.188 -3.923 1.00 51.33 N ATOM 958 CA SER A 64 -1.498 16.599 -3.605 1.00 65.44 C ATOM 959 C SER A 64 -2.175 16.832 -2.250 1.00 24.20 C ATOM 960 O SER A 64 -1.492 17.036 -1.252 1.00 15.32 O ATOM 961 CB SER A 64 -2.063 17.438 -4.763 1.00 32.25 C ATOM 962 OG SER A 64 -1.412 18.679 -4.920 1.00 63.15 O ATOM 0 H SER A 64 -2.257 14.983 -4.684 1.00 51.33 H new ATOM 0 HA SER A 64 -0.462 16.921 -3.502 1.00 65.44 H new ATOM 0 HB2 SER A 64 -1.977 16.870 -5.690 1.00 32.25 H new ATOM 0 HB3 SER A 64 -3.126 17.612 -4.593 1.00 32.25 H new ATOM 0 HG SER A 64 -1.812 19.166 -5.670 1.00 63.15 H new ATOM 968 N HIS A 65 -3.506 16.725 -2.183 1.00 65.14 N ATOM 969 CA HIS A 65 -4.322 17.049 -1.012 1.00 13.24 C ATOM 970 C HIS A 65 -4.331 15.931 0.045 1.00 4.25 C ATOM 971 O HIS A 65 -5.366 15.659 0.667 1.00 1.53 O ATOM 972 CB HIS A 65 -5.747 17.386 -1.475 1.00 15.24 C ATOM 973 CG HIS A 65 -5.841 18.641 -2.298 1.00 73.42 C ATOM 974 ND1 HIS A 65 -6.398 18.744 -3.553 1.00 33.44 N ATOM 975 CD2 HIS A 65 -5.452 19.891 -1.901 1.00 24.33 C ATOM 976 CE1 HIS A 65 -6.359 20.041 -3.908 1.00 23.55 C ATOM 977 NE2 HIS A 65 -5.787 20.773 -2.932 1.00 24.12 N ATOM 0 H HIS A 65 -4.063 16.398 -2.972 1.00 65.14 H new ATOM 0 HA HIS A 65 -3.876 17.913 -0.520 1.00 13.24 H new ATOM 0 HB2 HIS A 65 -6.136 16.551 -2.058 1.00 15.24 H new ATOM 0 HB3 HIS A 65 -6.388 17.489 -0.599 1.00 15.24 H new ATOM 0 HD2 HIS A 65 -4.976 20.148 -0.966 1.00 24.33 H new ATOM 0 HE1 HIS A 65 -6.732 20.438 -4.840 1.00 23.55 H new ATOM 0 HE2 HIS A 65 -5.628 21.781 -2.943 1.00 24.12 H new ATOM 985 N VAL A 66 -3.193 15.281 0.278 1.00 51.02 N ATOM 986 CA VAL A 66 -2.994 14.347 1.384 1.00 23.24 C ATOM 987 C VAL A 66 -2.096 15.011 2.438 1.00 33.52 C ATOM 988 O VAL A 66 -1.432 16.006 2.151 1.00 42.02 O ATOM 989 CB VAL A 66 -2.485 12.992 0.850 1.00 13.44 C ATOM 990 CG1 VAL A 66 -1.123 13.107 0.184 1.00 53.52 C ATOM 991 CG2 VAL A 66 -2.443 11.898 1.923 1.00 21.11 C ATOM 0 H VAL A 66 -2.366 15.391 -0.309 1.00 51.02 H new ATOM 0 HA VAL A 66 -3.933 14.114 1.886 1.00 23.24 H new ATOM 0 HB VAL A 66 -3.217 12.695 0.099 1.00 13.44 H new ATOM 0 HG11 VAL A 66 -0.809 12.127 -0.175 1.00 53.52 H new ATOM 0 HG12 VAL A 66 -1.186 13.798 -0.657 1.00 53.52 H new ATOM 0 HG13 VAL A 66 -0.396 13.479 0.905 1.00 53.52 H new ATOM 0 HG21 VAL A 66 -2.076 10.971 1.483 1.00 21.11 H new ATOM 0 HG22 VAL A 66 -1.777 12.205 2.730 1.00 21.11 H new ATOM 0 HG23 VAL A 66 -3.446 11.739 2.320 1.00 21.11 H new ATOM 1001 N GLN A 67 -2.044 14.448 3.647 1.00 14.42 N ATOM 1002 CA GLN A 67 -1.105 14.817 4.703 1.00 1.23 C ATOM 1003 C GLN A 67 -0.678 13.553 5.450 1.00 62.22 C ATOM 1004 O GLN A 67 0.444 13.062 5.309 1.00 72.15 O ATOM 1005 CB GLN A 67 -1.714 15.891 5.626 1.00 15.22 C ATOM 1006 CG GLN A 67 -3.196 15.757 6.033 1.00 40.32 C ATOM 1007 CD GLN A 67 -3.345 15.715 7.543 1.00 23.45 C ATOM 1008 OE1 GLN A 67 -3.508 14.658 8.132 1.00 11.33 O ATOM 1009 NE2 GLN A 67 -3.234 16.851 8.204 1.00 4.23 N ATOM 0 H GLN A 67 -2.677 13.698 3.925 1.00 14.42 H new ATOM 0 HA GLN A 67 -0.210 15.268 4.274 1.00 1.23 H new ATOM 0 HB2 GLN A 67 -1.120 15.918 6.540 1.00 15.22 H new ATOM 0 HB3 GLN A 67 -1.591 16.857 5.137 1.00 15.22 H new ATOM 0 HG2 GLN A 67 -3.764 16.596 5.631 1.00 40.32 H new ATOM 0 HG3 GLN A 67 -3.616 14.850 5.597 1.00 40.32 H new ATOM 0 HE21 GLN A 67 -3.098 17.725 7.696 1.00 4.23 H new ATOM 0 HE22 GLN A 67 -3.284 16.855 9.223 1.00 4.23 H new ATOM 1018 N ASN A 68 -1.613 12.997 6.208 1.00 73.22 N ATOM 1019 CA ASN A 68 -1.693 11.634 6.711 1.00 23.12 C ATOM 1020 C ASN A 68 -1.654 10.617 5.565 1.00 61.51 C ATOM 1021 O ASN A 68 -2.655 9.984 5.228 1.00 75.43 O ATOM 1022 CB ASN A 68 -2.978 11.492 7.546 1.00 25.35 C ATOM 1023 CG ASN A 68 -4.240 11.982 6.835 1.00 61.45 C ATOM 1024 OD1 ASN A 68 -4.240 12.362 5.667 1.00 75.44 O ATOM 1025 ND2 ASN A 68 -5.346 12.055 7.533 1.00 33.21 N ATOM 0 H ASN A 68 -2.415 13.546 6.517 1.00 73.22 H new ATOM 0 HA ASN A 68 -0.829 11.427 7.342 1.00 23.12 H new ATOM 0 HB2 ASN A 68 -3.109 10.444 7.816 1.00 25.35 H new ATOM 0 HB3 ASN A 68 -2.858 12.048 8.476 1.00 25.35 H new ATOM 0 HD21 ASN A 68 -6.195 12.424 7.106 1.00 33.21 H new ATOM 0 HD22 ASN A 68 -5.358 11.742 8.504 1.00 33.21 H new ATOM 1032 N LYS A 69 -0.466 10.393 4.993 1.00 13.20 N ATOM 1033 CA LYS A 69 -0.255 9.387 3.951 1.00 54.41 C ATOM 1034 C LYS A 69 -0.805 8.016 4.368 1.00 74.12 C ATOM 1035 O LYS A 69 -1.266 7.265 3.507 1.00 53.23 O ATOM 1036 CB LYS A 69 1.241 9.266 3.590 1.00 73.34 C ATOM 1037 CG LYS A 69 1.973 10.536 3.109 1.00 20.30 C ATOM 1038 CD LYS A 69 1.240 11.262 1.974 1.00 14.00 C ATOM 1039 CE LYS A 69 2.153 12.046 1.015 1.00 20.20 C ATOM 1040 NZ LYS A 69 2.758 13.249 1.605 1.00 14.35 N ATOM 0 H LYS A 69 0.379 10.908 5.242 1.00 13.20 H new ATOM 0 HA LYS A 69 -0.803 9.721 3.070 1.00 54.41 H new ATOM 0 HB2 LYS A 69 1.767 8.889 4.467 1.00 73.34 H new ATOM 0 HB3 LYS A 69 1.337 8.510 2.811 1.00 73.34 H new ATOM 0 HG2 LYS A 69 2.094 11.219 3.950 1.00 20.30 H new ATOM 0 HG3 LYS A 69 2.974 10.265 2.772 1.00 20.30 H new ATOM 0 HD2 LYS A 69 0.675 10.529 1.398 1.00 14.00 H new ATOM 0 HD3 LYS A 69 0.517 11.951 2.410 1.00 14.00 H new ATOM 0 HE2 LYS A 69 2.948 11.386 0.668 1.00 20.20 H new ATOM 0 HE3 LYS A 69 1.575 12.337 0.138 1.00 20.20 H new ATOM 0 HZ1 LYS A 69 3.357 13.719 0.897 1.00 14.35 H new ATOM 0 HZ2 LYS A 69 2.007 13.901 1.911 1.00 14.35 H new ATOM 0 HZ3 LYS A 69 3.338 12.979 2.425 1.00 14.35 H new ATOM 1054 N SER A 70 -0.779 7.684 5.659 1.00 64.55 N ATOM 1055 CA SER A 70 -1.301 6.427 6.162 1.00 34.33 C ATOM 1056 C SER A 70 -2.804 6.370 5.956 1.00 11.54 C ATOM 1057 O SER A 70 -3.280 5.457 5.288 1.00 63.53 O ATOM 1058 CB SER A 70 -0.941 6.206 7.630 1.00 1.30 C ATOM 1059 OG SER A 70 -1.283 7.262 8.498 1.00 11.31 O ATOM 0 H SER A 70 -0.391 8.288 6.384 1.00 64.55 H new ATOM 0 HA SER A 70 -0.835 5.620 5.597 1.00 34.33 H new ATOM 0 HB2 SER A 70 -1.435 5.298 7.976 1.00 1.30 H new ATOM 0 HB3 SER A 70 0.133 6.031 7.702 1.00 1.30 H new ATOM 0 HG SER A 70 -1.058 7.014 9.419 1.00 11.31 H new ATOM 1065 N ALA A 71 -3.541 7.351 6.493 1.00 21.42 N ATOM 1066 CA ALA A 71 -4.993 7.372 6.449 1.00 60.23 C ATOM 1067 C ALA A 71 -5.507 7.321 5.017 1.00 73.11 C ATOM 1068 O ALA A 71 -6.530 6.690 4.766 1.00 33.31 O ATOM 1069 CB ALA A 71 -5.530 8.613 7.155 1.00 12.31 C ATOM 0 H ALA A 71 -3.135 8.155 6.972 1.00 21.42 H new ATOM 0 HA ALA A 71 -5.352 6.484 6.968 1.00 60.23 H new ATOM 0 HB1 ALA A 71 -6.619 8.613 7.113 1.00 12.31 H new ATOM 0 HB2 ALA A 71 -5.207 8.608 8.196 1.00 12.31 H new ATOM 0 HB3 ALA A 71 -5.148 9.506 6.661 1.00 12.31 H new ATOM 1075 N PHE A 72 -4.778 7.934 4.083 1.00 60.13 N ATOM 1076 CA PHE A 72 -5.133 7.898 2.670 1.00 64.41 C ATOM 1077 C PHE A 72 -5.134 6.453 2.169 1.00 33.24 C ATOM 1078 O PHE A 72 -6.123 5.967 1.621 1.00 13.41 O ATOM 1079 CB PHE A 72 -4.149 8.780 1.901 1.00 35.45 C ATOM 1080 CG PHE A 72 -4.521 9.089 0.464 1.00 72.23 C ATOM 1081 CD1 PHE A 72 -4.455 8.091 -0.527 1.00 32.50 C ATOM 1082 CD2 PHE A 72 -4.868 10.403 0.098 1.00 1.03 C ATOM 1083 CE1 PHE A 72 -4.712 8.408 -1.870 1.00 53.11 C ATOM 1084 CE2 PHE A 72 -5.081 10.732 -1.248 1.00 53.45 C ATOM 1085 CZ PHE A 72 -5.017 9.730 -2.230 1.00 42.21 C ATOM 0 H PHE A 72 -3.931 8.465 4.286 1.00 60.13 H new ATOM 0 HA PHE A 72 -6.139 8.287 2.512 1.00 64.41 H new ATOM 0 HB2 PHE A 72 -4.039 9.722 2.438 1.00 35.45 H new ATOM 0 HB3 PHE A 72 -3.174 8.294 1.907 1.00 35.45 H new ATOM 0 HD1 PHE A 72 -4.205 7.077 -0.252 1.00 32.50 H new ATOM 0 HD2 PHE A 72 -4.971 11.163 0.859 1.00 1.03 H new ATOM 0 HE1 PHE A 72 -4.675 7.636 -2.625 1.00 53.11 H new ATOM 0 HE2 PHE A 72 -5.294 11.753 -1.529 1.00 53.45 H new ATOM 0 HZ PHE A 72 -5.203 9.977 -3.265 1.00 42.21 H new ATOM 1095 N LEU A 73 -4.029 5.736 2.391 1.00 51.04 N ATOM 1096 CA LEU A 73 -3.885 4.347 1.963 1.00 33.20 C ATOM 1097 C LEU A 73 -4.922 3.474 2.664 1.00 0.20 C ATOM 1098 O LEU A 73 -5.535 2.596 2.060 1.00 25.11 O ATOM 1099 CB LEU A 73 -2.471 3.861 2.303 1.00 44.33 C ATOM 1100 CG LEU A 73 -2.198 2.420 1.833 1.00 23.22 C ATOM 1101 CD1 LEU A 73 -2.199 2.272 0.309 1.00 65.22 C ATOM 1102 CD2 LEU A 73 -0.853 1.952 2.396 1.00 53.43 C ATOM 0 H LEU A 73 -3.210 6.105 2.873 1.00 51.04 H new ATOM 0 HA LEU A 73 -4.044 4.279 0.887 1.00 33.20 H new ATOM 0 HB2 LEU A 73 -1.743 4.530 1.844 1.00 44.33 H new ATOM 0 HB3 LEU A 73 -2.323 3.919 3.381 1.00 44.33 H new ATOM 0 HG LEU A 73 -3.012 1.800 2.208 1.00 23.22 H new ATOM 0 HD11 LEU A 73 -2.001 1.233 0.044 1.00 65.22 H new ATOM 0 HD12 LEU A 73 -3.172 2.568 -0.085 1.00 65.22 H new ATOM 0 HD13 LEU A 73 -1.425 2.910 -0.119 1.00 65.22 H new ATOM 0 HD21 LEU A 73 -0.655 0.932 2.066 1.00 53.43 H new ATOM 0 HD22 LEU A 73 -0.060 2.609 2.038 1.00 53.43 H new ATOM 0 HD23 LEU A 73 -0.885 1.981 3.485 1.00 53.43 H new ATOM 1114 N CYS A 74 -5.099 3.729 3.957 1.00 72.44 N ATOM 1115 CA CYS A 74 -6.080 3.092 4.824 1.00 12.40 C ATOM 1116 C CYS A 74 -7.494 3.249 4.239 1.00 51.25 C ATOM 1117 O CYS A 74 -8.309 2.327 4.322 1.00 24.14 O ATOM 1118 CB CYS A 74 -5.963 3.720 6.226 1.00 72.51 C ATOM 1119 SG CYS A 74 -6.270 2.525 7.550 1.00 3.32 S ATOM 0 H CYS A 74 -4.534 4.420 4.451 1.00 72.44 H new ATOM 0 HA CYS A 74 -5.888 2.022 4.898 1.00 12.40 H new ATOM 0 HB2 CYS A 74 -4.966 4.144 6.348 1.00 72.51 H new ATOM 0 HB3 CYS A 74 -6.673 4.543 6.312 1.00 72.51 H new ATOM 0 HG CYS A 74 -6.154 3.115 8.703 1.00 3.32 H new ATOM 1125 N GLY A 75 -7.801 4.402 3.639 1.00 15.25 N ATOM 1126 CA GLY A 75 -9.044 4.669 2.933 1.00 21.13 C ATOM 1127 C GLY A 75 -9.198 3.723 1.750 1.00 40.02 C ATOM 1128 O GLY A 75 -10.173 2.966 1.709 1.00 74.42 O ATOM 0 H GLY A 75 -7.165 5.199 3.635 1.00 15.25 H new ATOM 0 HA2 GLY A 75 -9.888 4.551 3.613 1.00 21.13 H new ATOM 0 HA3 GLY A 75 -9.057 5.702 2.585 1.00 21.13 H new ATOM 1132 N VAL A 76 -8.230 3.717 0.825 1.00 40.03 N ATOM 1133 CA VAL A 76 -8.262 2.858 -0.363 1.00 21.31 C ATOM 1134 C VAL A 76 -8.423 1.392 0.072 1.00 24.35 C ATOM 1135 O VAL A 76 -9.324 0.703 -0.406 1.00 33.54 O ATOM 1136 CB VAL A 76 -7.031 3.099 -1.277 1.00 31.24 C ATOM 1137 CG1 VAL A 76 -7.173 2.368 -2.622 1.00 5.04 C ATOM 1138 CG2 VAL A 76 -6.825 4.588 -1.602 1.00 2.14 C ATOM 0 H VAL A 76 -7.401 4.309 0.880 1.00 40.03 H new ATOM 0 HA VAL A 76 -9.126 3.116 -0.976 1.00 21.31 H new ATOM 0 HB VAL A 76 -6.180 2.717 -0.714 1.00 31.24 H new ATOM 0 HG11 VAL A 76 -6.293 2.560 -3.235 1.00 5.04 H new ATOM 0 HG12 VAL A 76 -7.266 1.296 -2.446 1.00 5.04 H new ATOM 0 HG13 VAL A 76 -8.062 2.729 -3.140 1.00 5.04 H new ATOM 0 HG21 VAL A 76 -5.952 4.703 -2.244 1.00 2.14 H new ATOM 0 HG22 VAL A 76 -7.706 4.974 -2.115 1.00 2.14 H new ATOM 0 HG23 VAL A 76 -6.671 5.144 -0.677 1.00 2.14 H new ATOM 1148 N MET A 77 -7.630 0.929 1.048 1.00 52.22 N ATOM 1149 CA MET A 77 -7.724 -0.418 1.607 1.00 13.45 C ATOM 1150 C MET A 77 -9.145 -0.754 2.069 1.00 40.23 C ATOM 1151 O MET A 77 -9.637 -1.839 1.755 1.00 60.11 O ATOM 1152 CB MET A 77 -6.771 -0.593 2.797 1.00 4.42 C ATOM 1153 CG MET A 77 -5.301 -0.780 2.428 1.00 34.24 C ATOM 1154 SD MET A 77 -4.373 -1.535 3.789 1.00 31.25 S ATOM 1155 CE MET A 77 -2.828 -0.613 3.689 1.00 72.24 C ATOM 0 H MET A 77 -6.895 1.492 1.475 1.00 52.22 H new ATOM 0 HA MET A 77 -7.443 -1.099 0.803 1.00 13.45 H new ATOM 0 HB2 MET A 77 -6.859 0.280 3.444 1.00 4.42 H new ATOM 0 HB3 MET A 77 -7.096 -1.455 3.379 1.00 4.42 H new ATOM 0 HG2 MET A 77 -5.223 -1.407 1.540 1.00 34.24 H new ATOM 0 HG3 MET A 77 -4.861 0.185 2.176 1.00 34.24 H new ATOM 0 HE1 MET A 77 -2.103 -1.043 4.380 1.00 72.24 H new ATOM 0 HE2 MET A 77 -2.437 -0.667 2.673 1.00 72.24 H new ATOM 0 HE3 MET A 77 -3.008 0.429 3.954 1.00 72.24 H new ATOM 1165 N LYS A 78 -9.812 0.142 2.806 1.00 61.32 N ATOM 1166 CA LYS A 78 -11.179 -0.107 3.263 1.00 13.40 C ATOM 1167 C LYS A 78 -12.078 -0.363 2.062 1.00 11.22 C ATOM 1168 O LYS A 78 -12.745 -1.394 2.025 1.00 4.21 O ATOM 1169 CB LYS A 78 -11.721 1.043 4.128 1.00 33.21 C ATOM 1170 CG LYS A 78 -11.842 0.616 5.594 1.00 0.32 C ATOM 1171 CD LYS A 78 -12.530 1.719 6.402 1.00 31.31 C ATOM 1172 CE LYS A 78 -12.492 1.386 7.894 1.00 0.00 C ATOM 1173 NZ LYS A 78 -12.844 2.563 8.710 1.00 54.53 N ATOM 0 H LYS A 78 -9.427 1.041 3.096 1.00 61.32 H new ATOM 0 HA LYS A 78 -11.169 -0.992 3.899 1.00 13.40 H new ATOM 0 HB2 LYS A 78 -11.059 1.905 4.050 1.00 33.21 H new ATOM 0 HB3 LYS A 78 -12.696 1.355 3.755 1.00 33.21 H new ATOM 0 HG2 LYS A 78 -12.413 -0.310 5.666 1.00 0.32 H new ATOM 0 HG3 LYS A 78 -10.853 0.414 6.006 1.00 0.32 H new ATOM 0 HD2 LYS A 78 -12.035 2.673 6.223 1.00 31.31 H new ATOM 0 HD3 LYS A 78 -13.563 1.829 6.073 1.00 31.31 H new ATOM 0 HE2 LYS A 78 -13.186 0.572 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.496 1.035 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.810 2.309 9.718 1.00 54.53 H new ATOM 0 HZ2 LYS A 78 -12.167 3.330 8.523 1.00 54.53 H new ATOM 0 HZ3 LYS A 78 -13.803 2.881 8.465 1.00 54.53 H new ATOM 1187 N THR A 79 -12.025 0.511 1.057 1.00 62.12 N ATOM 1188 CA THR A 79 -12.830 0.395 -0.152 1.00 23.10 C ATOM 1189 C THR A 79 -12.723 -0.994 -0.767 1.00 41.31 C ATOM 1190 O THR A 79 -13.744 -1.558 -1.149 1.00 1.52 O ATOM 1191 CB THR A 79 -12.421 1.454 -1.188 1.00 40.31 C ATOM 1192 OG1 THR A 79 -11.978 2.646 -0.583 1.00 44.21 O ATOM 1193 CG2 THR A 79 -13.613 1.819 -2.065 1.00 41.33 C ATOM 0 H THR A 79 -11.414 1.328 1.063 1.00 62.12 H new ATOM 0 HA THR A 79 -13.867 0.562 0.138 1.00 23.10 H new ATOM 0 HB THR A 79 -11.611 1.016 -1.771 1.00 40.31 H new ATOM 0 HG1 THR A 79 -11.726 3.291 -1.277 1.00 44.21 H new ATOM 0 HG21 THR A 79 -13.311 2.570 -2.795 1.00 41.33 H new ATOM 0 HG22 THR A 79 -13.968 0.929 -2.585 1.00 41.33 H new ATOM 0 HG23 THR A 79 -14.414 2.219 -1.443 1.00 41.33 H new ATOM 1201 N TYR A 80 -11.509 -1.545 -0.831 1.00 1.32 N ATOM 1202 CA TYR A 80 -11.251 -2.826 -1.461 1.00 34.13 C ATOM 1203 C TYR A 80 -11.780 -4.029 -0.675 1.00 42.41 C ATOM 1204 O TYR A 80 -12.260 -4.975 -1.297 1.00 53.12 O ATOM 1205 CB TYR A 80 -9.758 -2.963 -1.733 1.00 64.31 C ATOM 1206 CG TYR A 80 -9.393 -2.433 -3.099 1.00 15.22 C ATOM 1207 CD1 TYR A 80 -9.647 -3.226 -4.230 1.00 72.31 C ATOM 1208 CD2 TYR A 80 -8.827 -1.156 -3.247 1.00 54.23 C ATOM 1209 CE1 TYR A 80 -9.306 -2.770 -5.511 1.00 3.24 C ATOM 1210 CE2 TYR A 80 -8.475 -0.694 -4.527 1.00 21.41 C ATOM 1211 CZ TYR A 80 -8.705 -1.505 -5.664 1.00 51.31 C ATOM 1212 OH TYR A 80 -8.364 -1.061 -6.899 1.00 51.31 O ATOM 0 H TYR A 80 -10.675 -1.105 -0.441 1.00 1.32 H new ATOM 0 HA TYR A 80 -11.807 -2.835 -2.398 1.00 34.13 H new ATOM 0 HB2 TYR A 80 -9.197 -2.423 -0.970 1.00 64.31 H new ATOM 0 HB3 TYR A 80 -9.468 -4.011 -1.659 1.00 64.31 H new ATOM 0 HD1 TYR A 80 -10.109 -4.195 -4.112 1.00 72.31 H new ATOM 0 HD2 TYR A 80 -8.663 -0.532 -2.381 1.00 54.23 H new ATOM 0 HE1 TYR A 80 -9.503 -3.385 -6.376 1.00 3.24 H new ATOM 0 HE2 TYR A 80 -8.028 0.282 -4.643 1.00 21.41 H new ATOM 0 HH TYR A 80 -9.159 -0.711 -7.352 1.00 51.31 H new ATOM 1222 N ARG A 81 -11.707 -4.039 0.662 1.00 55.42 N ATOM 1223 CA ARG A 81 -12.351 -5.088 1.458 1.00 21.53 C ATOM 1224 C ARG A 81 -13.874 -4.917 1.499 1.00 44.42 C ATOM 1225 O ARG A 81 -14.601 -5.871 1.767 1.00 64.43 O ATOM 1226 CB ARG A 81 -11.701 -5.222 2.842 1.00 0.15 C ATOM 1227 CG ARG A 81 -11.914 -3.947 3.639 1.00 64.54 C ATOM 1228 CD ARG A 81 -11.525 -4.001 5.113 1.00 15.13 C ATOM 1229 NE ARG A 81 -12.404 -4.837 5.936 1.00 74.44 N ATOM 1230 CZ ARG A 81 -12.176 -5.098 7.228 1.00 23.11 C ATOM 1231 NH1 ARG A 81 -11.218 -4.468 7.901 1.00 20.24 N ATOM 1232 NH2 ARG A 81 -12.908 -6.016 7.840 1.00 21.30 N ATOM 0 H ARG A 81 -11.211 -3.337 1.211 1.00 55.42 H new ATOM 0 HA ARG A 81 -12.182 -6.043 0.960 1.00 21.53 H new ATOM 0 HB2 ARG A 81 -12.131 -6.070 3.375 1.00 0.15 H new ATOM 0 HB3 ARG A 81 -10.635 -5.420 2.735 1.00 0.15 H new ATOM 0 HG2 ARG A 81 -11.346 -3.147 3.164 1.00 64.54 H new ATOM 0 HG3 ARG A 81 -12.967 -3.673 3.572 1.00 64.54 H new ATOM 0 HD2 ARG A 81 -10.505 -4.376 5.194 1.00 15.13 H new ATOM 0 HD3 ARG A 81 -11.525 -2.988 5.515 1.00 15.13 H new ATOM 0 HE ARG A 81 -13.233 -5.241 5.501 1.00 74.44 H new ATOM 0 HH11 ARG A 81 -10.640 -3.770 7.433 1.00 20.24 H new ATOM 0 HH12 ARG A 81 -11.061 -4.682 8.886 1.00 20.24 H new ATOM 0 HH21 ARG A 81 -13.635 -6.514 7.327 1.00 21.30 H new ATOM 0 HH22 ARG A 81 -12.745 -6.225 8.825 1.00 21.30 H new ATOM 1246 N GLN A 82 -14.378 -3.709 1.248 1.00 24.15 N ATOM 1247 CA GLN A 82 -15.790 -3.383 1.302 1.00 25.30 C ATOM 1248 C GLN A 82 -16.337 -3.352 -0.121 1.00 3.53 C ATOM 1249 O GLN A 82 -16.658 -2.292 -0.654 1.00 2.23 O ATOM 1250 CB GLN A 82 -15.973 -2.078 2.089 1.00 52.11 C ATOM 1251 CG GLN A 82 -15.797 -2.325 3.602 1.00 4.51 C ATOM 1252 CD GLN A 82 -15.531 -1.079 4.453 1.00 61.34 C ATOM 1253 OE1 GLN A 82 -15.037 -0.050 3.997 1.00 60.23 O ATOM 1254 NE2 GLN A 82 -15.803 -1.162 5.743 1.00 51.44 N ATOM 0 H GLN A 82 -13.793 -2.913 0.995 1.00 24.15 H new ATOM 0 HA GLN A 82 -16.369 -4.137 1.836 1.00 25.30 H new ATOM 0 HB2 GLN A 82 -15.248 -1.338 1.749 1.00 52.11 H new ATOM 0 HB3 GLN A 82 -16.964 -1.666 1.895 1.00 52.11 H new ATOM 0 HG2 GLN A 82 -16.695 -2.814 3.978 1.00 4.51 H new ATOM 0 HG3 GLN A 82 -14.971 -3.022 3.744 1.00 4.51 H new ATOM 0 HE21 GLN A 82 -16.213 -2.015 6.124 1.00 51.44 H new ATOM 0 HE22 GLN A 82 -15.603 -0.373 6.358 1.00 51.44 H new