USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 56 SER OG : rot 100:sc= 0.114 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -175:sc= 0.587 (180deg=-0.0685) USER MOD Set 2.1: A 9 THR OG1 : rot -132:sc= 0.746 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0898 X(o=-0.09,f=-0.0019) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= -1.21 (180deg=-3.57!) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.679 (180deg=0.678) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 2:sc= 0.592 USER MOD Single : A 31 THR OG1 : rot -55:sc= 0.293 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= -1.16 (180deg=-1.25!) USER MOD Single : A 37 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.38) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.922 X(o=-0.92,f=-0.45) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0.707 (180deg=0.437) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= 0.716 (180deg=0.196) USER MOD Single : A 48 GLN : amide:sc= -0.085 X(o=-0.085,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00263) USER MOD Single : A 61 GLN : amide:sc= -0.384 K(o=-0.38,f=-4.1!) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0.255 (180deg=0.0665) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.0069) USER MOD Single : A 70 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.4) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.968 USER MOD Single : A 77 ASN : amide:sc= 0.046 K(o=0.046,f=-2.7!) USER MOD Single : A 82 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.6) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000976) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 0.735 10.959 -6.410 1.00 25.13 N ATOM 28 CA ARG A 3 0.749 9.515 -6.712 1.00 2.52 C ATOM 29 C ARG A 3 0.939 8.692 -5.419 1.00 24.45 C ATOM 30 O ARG A 3 2.009 8.723 -4.795 1.00 52.10 O ATOM 31 CB ARG A 3 1.870 9.203 -7.750 1.00 32.23 C ATOM 32 CG ARG A 3 1.963 7.726 -8.213 1.00 30.01 C ATOM 33 CD ARG A 3 0.652 7.203 -8.831 1.00 73.15 C ATOM 34 NE ARG A 3 0.176 8.061 -9.927 1.00 13.22 N ATOM 35 CZ ARG A 3 -0.950 7.878 -10.637 1.00 3.24 C ATOM 36 NH1 ARG A 3 -1.752 6.845 -10.409 1.00 31.40 N ATOM 37 NH2 ARG A 3 -1.252 8.741 -11.598 1.00 2.45 N ATOM 0 HA ARG A 3 -0.210 9.232 -7.145 1.00 2.52 H new ATOM 0 HB2 ARG A 3 1.713 9.831 -8.627 1.00 32.23 H new ATOM 0 HB3 ARG A 3 2.829 9.491 -7.320 1.00 32.23 H new ATOM 0 HG2 ARG A 3 2.766 7.630 -8.944 1.00 30.01 H new ATOM 0 HG3 ARG A 3 2.231 7.101 -7.361 1.00 30.01 H new ATOM 0 HD2 ARG A 3 0.806 6.191 -9.205 1.00 73.15 H new ATOM 0 HD3 ARG A 3 -0.114 7.144 -8.058 1.00 73.15 H new ATOM 0 HE ARG A 3 0.752 8.867 -10.170 1.00 13.22 H new ATOM 0 HH11 ARG A 3 -1.519 6.169 -9.682 1.00 31.40 H new ATOM 0 HH12 ARG A 3 -2.602 6.727 -10.961 1.00 31.40 H new ATOM 0 HH21 ARG A 3 -0.633 9.529 -11.789 1.00 2.45 H new ATOM 0 HH22 ARG A 3 -2.103 8.616 -12.146 1.00 2.45 H new ATOM 51 N LEU A 4 -0.124 7.961 -5.042 1.00 11.15 N ATOM 52 CA LEU A 4 -0.151 7.117 -3.846 1.00 40.43 C ATOM 53 C LEU A 4 -0.726 5.736 -4.203 1.00 65.34 C ATOM 54 O LEU A 4 -1.802 5.647 -4.814 1.00 0.55 O ATOM 55 CB LEU A 4 -1.018 7.807 -2.751 1.00 62.10 C ATOM 56 CG LEU A 4 -0.926 7.207 -1.313 1.00 72.32 C ATOM 57 CD1 LEU A 4 0.488 7.373 -0.727 1.00 43.33 C ATOM 58 CD2 LEU A 4 -1.982 7.828 -0.380 1.00 44.21 C ATOM 0 H LEU A 4 -0.997 7.943 -5.569 1.00 11.15 H new ATOM 0 HA LEU A 4 0.860 6.982 -3.462 1.00 40.43 H new ATOM 0 HB2 LEU A 4 -0.733 8.858 -2.702 1.00 62.10 H new ATOM 0 HB3 LEU A 4 -2.060 7.774 -3.069 1.00 62.10 H new ATOM 0 HG LEU A 4 -1.133 6.140 -1.391 1.00 72.32 H new ATOM 0 HD11 LEU A 4 0.519 6.945 0.275 1.00 43.33 H new ATOM 0 HD12 LEU A 4 1.208 6.859 -1.364 1.00 43.33 H new ATOM 0 HD13 LEU A 4 0.739 8.433 -0.677 1.00 43.33 H new ATOM 0 HD21 LEU A 4 -1.892 7.390 0.614 1.00 44.21 H new ATOM 0 HD22 LEU A 4 -1.824 8.905 -0.317 1.00 44.21 H new ATOM 0 HD23 LEU A 4 -2.978 7.630 -0.775 1.00 44.21 H new ATOM 70 N VAL A 5 -0.001 4.668 -3.834 1.00 15.04 N ATOM 71 CA VAL A 5 -0.481 3.281 -3.970 1.00 54.41 C ATOM 72 C VAL A 5 -0.687 2.689 -2.574 1.00 22.14 C ATOM 73 O VAL A 5 0.266 2.546 -1.803 1.00 60.42 O ATOM 74 CB VAL A 5 0.496 2.386 -4.832 1.00 13.22 C ATOM 75 CG1 VAL A 5 0.117 0.879 -4.782 1.00 12.21 C ATOM 76 CG2 VAL A 5 0.516 2.880 -6.293 1.00 24.20 C ATOM 0 H VAL A 5 0.934 4.740 -3.433 1.00 15.04 H new ATOM 0 HA VAL A 5 -1.429 3.295 -4.508 1.00 54.41 H new ATOM 0 HB VAL A 5 1.491 2.483 -4.398 1.00 13.22 H new ATOM 0 HG11 VAL A 5 0.818 0.307 -5.390 1.00 12.21 H new ATOM 0 HG12 VAL A 5 0.159 0.527 -3.751 1.00 12.21 H new ATOM 0 HG13 VAL A 5 -0.893 0.745 -5.170 1.00 12.21 H new ATOM 0 HG21 VAL A 5 1.192 2.257 -6.879 1.00 24.20 H new ATOM 0 HG22 VAL A 5 -0.488 2.818 -6.712 1.00 24.20 H new ATOM 0 HG23 VAL A 5 0.859 3.914 -6.323 1.00 24.20 H new ATOM 86 N VAL A 6 -1.950 2.365 -2.257 1.00 13.33 N ATOM 87 CA VAL A 6 -2.326 1.786 -0.973 1.00 35.25 C ATOM 88 C VAL A 6 -2.355 0.255 -1.108 1.00 64.04 C ATOM 89 O VAL A 6 -3.307 -0.320 -1.627 1.00 51.44 O ATOM 90 CB VAL A 6 -3.722 2.324 -0.483 1.00 33.24 C ATOM 91 CG1 VAL A 6 -4.124 1.687 0.864 1.00 65.51 C ATOM 92 CG2 VAL A 6 -3.725 3.871 -0.389 1.00 43.40 C ATOM 0 H VAL A 6 -2.737 2.501 -2.892 1.00 13.33 H new ATOM 0 HA VAL A 6 -1.589 2.078 -0.225 1.00 35.25 H new ATOM 0 HB VAL A 6 -4.466 2.034 -1.225 1.00 33.24 H new ATOM 0 HG11 VAL A 6 -5.092 2.078 1.177 1.00 65.51 H new ATOM 0 HG12 VAL A 6 -4.189 0.605 0.750 1.00 65.51 H new ATOM 0 HG13 VAL A 6 -3.375 1.928 1.618 1.00 65.51 H new ATOM 0 HG21 VAL A 6 -4.702 4.213 -0.048 1.00 43.40 H new ATOM 0 HG22 VAL A 6 -2.961 4.194 0.318 1.00 43.40 H new ATOM 0 HG23 VAL A 6 -3.514 4.296 -1.371 1.00 43.40 H new ATOM 102 N VAL A 7 -1.287 -0.383 -0.656 1.00 33.43 N ATOM 103 CA VAL A 7 -1.156 -1.835 -0.641 1.00 4.13 C ATOM 104 C VAL A 7 -1.828 -2.396 0.622 1.00 45.41 C ATOM 105 O VAL A 7 -1.567 -1.930 1.724 1.00 60.43 O ATOM 106 CB VAL A 7 0.347 -2.255 -0.672 1.00 44.43 C ATOM 107 CG1 VAL A 7 0.521 -3.785 -0.770 1.00 3.00 C ATOM 108 CG2 VAL A 7 1.108 -1.532 -1.799 1.00 15.22 C ATOM 0 H VAL A 7 -0.471 0.101 -0.282 1.00 33.43 H new ATOM 0 HA VAL A 7 -1.644 -2.240 -1.528 1.00 4.13 H new ATOM 0 HB VAL A 7 0.783 -1.945 0.278 1.00 44.43 H new ATOM 0 HG11 VAL A 7 1.583 -4.030 -0.789 1.00 3.00 H new ATOM 0 HG12 VAL A 7 0.054 -4.260 0.093 1.00 3.00 H new ATOM 0 HG13 VAL A 7 0.049 -4.147 -1.683 1.00 3.00 H new ATOM 0 HG21 VAL A 7 2.152 -1.847 -1.793 1.00 15.22 H new ATOM 0 HG22 VAL A 7 0.659 -1.782 -2.760 1.00 15.22 H new ATOM 0 HG23 VAL A 7 1.053 -0.455 -1.642 1.00 15.22 H new ATOM 118 N VAL A 8 -2.685 -3.396 0.436 1.00 34.30 N ATOM 119 CA VAL A 8 -3.447 -4.054 1.508 1.00 73.43 C ATOM 120 C VAL A 8 -3.176 -5.566 1.446 1.00 31.12 C ATOM 121 O VAL A 8 -2.788 -6.084 0.389 1.00 54.43 O ATOM 122 CB VAL A 8 -4.989 -3.774 1.353 1.00 62.03 C ATOM 123 CG1 VAL A 8 -5.309 -2.262 1.489 1.00 53.35 C ATOM 124 CG2 VAL A 8 -5.528 -4.333 0.014 1.00 32.11 C ATOM 0 H VAL A 8 -2.878 -3.786 -0.487 1.00 34.30 H new ATOM 0 HA VAL A 8 -3.131 -3.656 2.472 1.00 73.43 H new ATOM 0 HB VAL A 8 -5.497 -4.295 2.165 1.00 62.03 H new ATOM 0 HG11 VAL A 8 -6.382 -2.106 1.377 1.00 53.35 H new ATOM 0 HG12 VAL A 8 -4.992 -1.910 2.471 1.00 53.35 H new ATOM 0 HG13 VAL A 8 -4.779 -1.707 0.715 1.00 53.35 H new ATOM 0 HG21 VAL A 8 -6.595 -4.124 -0.064 1.00 32.11 H new ATOM 0 HG22 VAL A 8 -5.004 -3.859 -0.816 1.00 32.11 H new ATOM 0 HG23 VAL A 8 -5.365 -5.410 -0.022 1.00 32.11 H new ATOM 134 N THR A 9 -3.354 -6.271 2.569 1.00 13.43 N ATOM 135 CA THR A 9 -3.202 -7.745 2.615 1.00 63.42 C ATOM 136 C THR A 9 -4.565 -8.465 2.562 1.00 11.02 C ATOM 137 O THR A 9 -4.624 -9.679 2.323 1.00 25.31 O ATOM 138 CB THR A 9 -2.429 -8.183 3.899 1.00 44.23 C ATOM 139 OG1 THR A 9 -3.076 -7.637 5.061 1.00 63.44 O ATOM 140 CG2 THR A 9 -0.955 -7.739 3.865 1.00 14.43 C ATOM 0 H THR A 9 -3.604 -5.851 3.464 1.00 13.43 H new ATOM 0 HA THR A 9 -2.630 -8.033 1.733 1.00 63.42 H new ATOM 0 HB THR A 9 -2.443 -9.272 3.941 1.00 44.23 H new ATOM 0 HG1 THR A 9 -2.406 -7.225 5.645 1.00 63.44 H new ATOM 0 HG21 THR A 9 -0.456 -8.065 4.778 1.00 14.43 H new ATOM 0 HG22 THR A 9 -0.461 -8.185 3.002 1.00 14.43 H new ATOM 0 HG23 THR A 9 -0.904 -6.653 3.791 1.00 14.43 H new ATOM 148 N SER A 10 -5.653 -7.707 2.756 1.00 23.10 N ATOM 149 CA SER A 10 -7.016 -8.253 2.877 1.00 14.23 C ATOM 150 C SER A 10 -7.971 -7.526 1.913 1.00 75.24 C ATOM 151 O SER A 10 -7.842 -6.311 1.705 1.00 0.55 O ATOM 152 CB SER A 10 -7.498 -8.110 4.339 1.00 30.21 C ATOM 153 OG SER A 10 -6.611 -8.761 5.239 1.00 64.02 O ATOM 0 H SER A 10 -5.614 -6.691 2.834 1.00 23.10 H new ATOM 0 HA SER A 10 -7.008 -9.309 2.609 1.00 14.23 H new ATOM 0 HB2 SER A 10 -7.573 -7.054 4.598 1.00 30.21 H new ATOM 0 HB3 SER A 10 -8.497 -8.534 4.438 1.00 30.21 H new ATOM 0 HG SER A 10 -6.939 -8.653 6.156 1.00 64.02 H new ATOM 159 N GLU A 11 -8.913 -8.287 1.321 1.00 1.43 N ATOM 160 CA GLU A 11 -9.950 -7.746 0.419 1.00 20.31 C ATOM 161 C GLU A 11 -10.934 -6.819 1.170 1.00 44.12 C ATOM 162 O GLU A 11 -11.508 -5.914 0.567 1.00 12.21 O ATOM 163 CB GLU A 11 -10.720 -8.898 -0.273 1.00 41.43 C ATOM 164 CG GLU A 11 -9.879 -9.761 -1.229 1.00 62.12 C ATOM 165 CD GLU A 11 -10.699 -10.878 -1.898 1.00 12.12 C ATOM 166 OE1 GLU A 11 -11.533 -10.571 -2.776 1.00 33.54 O ATOM 167 OE2 GLU A 11 -10.533 -12.062 -1.541 1.00 41.23 O ATOM 0 H GLU A 11 -8.976 -9.296 1.455 1.00 1.43 H new ATOM 0 HA GLU A 11 -9.446 -7.149 -0.341 1.00 20.31 H new ATOM 0 HB2 GLU A 11 -11.145 -9.543 0.496 1.00 41.43 H new ATOM 0 HB3 GLU A 11 -11.555 -8.473 -0.831 1.00 41.43 H new ATOM 0 HG2 GLU A 11 -9.444 -9.124 -1.999 1.00 62.12 H new ATOM 0 HG3 GLU A 11 -9.050 -10.205 -0.677 1.00 62.12 H new ATOM 174 N GLN A 12 -11.116 -7.067 2.487 1.00 33.10 N ATOM 175 CA GLN A 12 -11.892 -6.181 3.383 1.00 3.51 C ATOM 176 C GLN A 12 -11.278 -4.772 3.392 1.00 73.00 C ATOM 177 O GLN A 12 -11.993 -3.770 3.315 1.00 0.25 O ATOM 178 CB GLN A 12 -11.913 -6.747 4.833 1.00 52.22 C ATOM 179 CG GLN A 12 -12.648 -8.092 5.002 1.00 54.42 C ATOM 180 CD GLN A 12 -14.161 -7.991 4.790 1.00 61.21 C ATOM 181 OE1 GLN A 12 -14.917 -7.730 5.724 1.00 43.15 O ATOM 182 NE2 GLN A 12 -14.616 -8.205 3.573 1.00 75.31 N ATOM 0 H GLN A 12 -10.730 -7.885 2.957 1.00 33.10 H new ATOM 0 HA GLN A 12 -12.915 -6.130 3.010 1.00 3.51 H new ATOM 0 HB2 GLN A 12 -10.885 -6.868 5.174 1.00 52.22 H new ATOM 0 HB3 GLN A 12 -12.381 -6.011 5.487 1.00 52.22 H new ATOM 0 HG2 GLN A 12 -12.237 -8.813 4.295 1.00 54.42 H new ATOM 0 HG3 GLN A 12 -12.454 -8.480 6.002 1.00 54.42 H new ATOM 0 HE21 GLN A 12 -13.967 -8.420 2.816 1.00 75.31 H new ATOM 0 HE22 GLN A 12 -15.618 -8.156 3.387 1.00 75.31 H new ATOM 191 N LEU A 13 -9.934 -4.736 3.478 1.00 64.35 N ATOM 192 CA LEU A 13 -9.148 -3.495 3.461 1.00 62.31 C ATOM 193 C LEU A 13 -9.140 -2.865 2.051 1.00 4.40 C ATOM 194 O LEU A 13 -9.111 -1.646 1.923 1.00 52.01 O ATOM 195 CB LEU A 13 -7.695 -3.772 3.936 1.00 34.22 C ATOM 196 CG LEU A 13 -7.528 -4.394 5.358 1.00 40.22 C ATOM 197 CD1 LEU A 13 -6.044 -4.704 5.650 1.00 22.43 C ATOM 198 CD2 LEU A 13 -8.141 -3.488 6.448 1.00 53.24 C ATOM 0 H LEU A 13 -9.362 -5.576 3.562 1.00 64.35 H new ATOM 0 HA LEU A 13 -9.614 -2.787 4.146 1.00 62.31 H new ATOM 0 HB2 LEU A 13 -7.223 -4.440 3.215 1.00 34.22 H new ATOM 0 HB3 LEU A 13 -7.143 -2.832 3.909 1.00 34.22 H new ATOM 0 HG LEU A 13 -8.077 -5.336 5.377 1.00 40.22 H new ATOM 0 HD11 LEU A 13 -5.952 -5.137 6.646 1.00 22.43 H new ATOM 0 HD12 LEU A 13 -5.668 -5.411 4.911 1.00 22.43 H new ATOM 0 HD13 LEU A 13 -5.463 -3.783 5.599 1.00 22.43 H new ATOM 0 HD21 LEU A 13 -8.007 -3.952 7.425 1.00 53.24 H new ATOM 0 HD22 LEU A 13 -7.645 -2.518 6.436 1.00 53.24 H new ATOM 0 HD23 LEU A 13 -9.205 -3.354 6.253 1.00 53.24 H new ATOM 210 N LYS A 14 -9.171 -3.707 0.996 1.00 54.14 N ATOM 211 CA LYS A 14 -9.148 -3.233 -0.408 1.00 71.41 C ATOM 212 C LYS A 14 -10.421 -2.429 -0.735 1.00 23.32 C ATOM 213 O LYS A 14 -10.340 -1.279 -1.180 1.00 64.44 O ATOM 214 CB LYS A 14 -8.975 -4.422 -1.403 1.00 62.11 C ATOM 215 CG LYS A 14 -8.845 -3.988 -2.884 1.00 74.12 C ATOM 216 CD LYS A 14 -8.614 -5.169 -3.861 1.00 43.20 C ATOM 217 CE LYS A 14 -8.503 -4.695 -5.322 1.00 1.42 C ATOM 218 NZ LYS A 14 -8.284 -5.819 -6.276 1.00 34.31 N ATOM 0 H LYS A 14 -9.212 -4.722 1.089 1.00 54.14 H new ATOM 0 HA LYS A 14 -8.288 -2.574 -0.523 1.00 71.41 H new ATOM 0 HB2 LYS A 14 -8.089 -4.991 -1.123 1.00 62.11 H new ATOM 0 HB3 LYS A 14 -9.829 -5.092 -1.305 1.00 62.11 H new ATOM 0 HG2 LYS A 14 -9.750 -3.456 -3.178 1.00 74.12 H new ATOM 0 HG3 LYS A 14 -8.017 -3.285 -2.976 1.00 74.12 H new ATOM 0 HD2 LYS A 14 -7.703 -5.698 -3.581 1.00 43.20 H new ATOM 0 HD3 LYS A 14 -9.436 -5.880 -3.772 1.00 43.20 H new ATOM 0 HE2 LYS A 14 -9.413 -4.162 -5.597 1.00 1.42 H new ATOM 0 HE3 LYS A 14 -7.680 -3.985 -5.408 1.00 1.42 H new ATOM 0 HZ1 LYS A 14 -8.217 -5.445 -7.244 1.00 34.31 H new ATOM 0 HZ2 LYS A 14 -7.402 -6.313 -6.034 1.00 34.31 H new ATOM 0 HZ3 LYS A 14 -9.081 -6.485 -6.217 1.00 34.31 H new ATOM 232 N GLU A 15 -11.587 -3.045 -0.472 1.00 40.25 N ATOM 233 CA GLU A 15 -12.904 -2.431 -0.726 1.00 42.21 C ATOM 234 C GLU A 15 -13.175 -1.267 0.245 1.00 1.34 C ATOM 235 O GLU A 15 -13.992 -0.405 -0.055 1.00 21.11 O ATOM 236 CB GLU A 15 -14.023 -3.500 -0.628 1.00 21.04 C ATOM 237 CG GLU A 15 -14.265 -4.053 0.797 1.00 1.33 C ATOM 238 CD GLU A 15 -15.268 -5.217 0.868 1.00 1.01 C ATOM 239 OE1 GLU A 15 -16.344 -5.138 0.232 1.00 33.44 O ATOM 240 OE2 GLU A 15 -14.990 -6.214 1.560 1.00 4.34 O ATOM 0 H GLU A 15 -11.644 -3.984 -0.077 1.00 40.25 H new ATOM 0 HA GLU A 15 -12.898 -2.023 -1.737 1.00 42.21 H new ATOM 0 HB2 GLU A 15 -14.953 -3.068 -0.998 1.00 21.04 H new ATOM 0 HB3 GLU A 15 -13.772 -4.331 -1.288 1.00 21.04 H new ATOM 0 HG2 GLU A 15 -13.313 -4.385 1.211 1.00 1.33 H new ATOM 0 HG3 GLU A 15 -14.623 -3.242 1.432 1.00 1.33 H new ATOM 247 N GLU A 16 -12.498 -1.279 1.412 1.00 71.11 N ATOM 248 CA GLU A 16 -12.549 -0.185 2.399 1.00 61.13 C ATOM 249 C GLU A 16 -11.972 1.104 1.786 1.00 3.24 C ATOM 250 O GLU A 16 -12.672 2.119 1.648 1.00 43.42 O ATOM 251 CB GLU A 16 -11.730 -0.586 3.670 1.00 63.34 C ATOM 252 CG GLU A 16 -11.730 0.441 4.831 1.00 12.22 C ATOM 253 CD GLU A 16 -13.058 0.473 5.608 1.00 50.42 C ATOM 254 OE1 GLU A 16 -13.983 1.197 5.199 1.00 55.43 O ATOM 255 OE2 GLU A 16 -13.184 -0.248 6.620 1.00 61.33 O ATOM 0 H GLU A 16 -11.898 -2.053 1.696 1.00 71.11 H new ATOM 0 HA GLU A 16 -13.586 -0.006 2.683 1.00 61.13 H new ATOM 0 HB2 GLU A 16 -12.122 -1.531 4.047 1.00 63.34 H new ATOM 0 HB3 GLU A 16 -10.697 -0.766 3.371 1.00 63.34 H new ATOM 0 HG2 GLU A 16 -10.919 0.203 5.519 1.00 12.22 H new ATOM 0 HG3 GLU A 16 -11.526 1.434 4.430 1.00 12.22 H new ATOM 262 N VAL A 17 -10.685 1.015 1.397 1.00 73.12 N ATOM 263 CA VAL A 17 -9.911 2.153 0.888 1.00 32.43 C ATOM 264 C VAL A 17 -10.437 2.636 -0.477 1.00 24.53 C ATOM 265 O VAL A 17 -10.394 3.828 -0.748 1.00 22.14 O ATOM 266 CB VAL A 17 -8.373 1.815 0.784 1.00 72.15 C ATOM 267 CG1 VAL A 17 -7.548 3.059 0.370 1.00 13.22 C ATOM 268 CG2 VAL A 17 -7.836 1.217 2.109 1.00 23.44 C ATOM 0 H VAL A 17 -10.155 0.144 1.429 1.00 73.12 H new ATOM 0 HA VAL A 17 -10.037 2.960 1.610 1.00 32.43 H new ATOM 0 HB VAL A 17 -8.259 1.062 0.004 1.00 72.15 H new ATOM 0 HG11 VAL A 17 -6.493 2.792 0.308 1.00 13.22 H new ATOM 0 HG12 VAL A 17 -7.890 3.416 -0.602 1.00 13.22 H new ATOM 0 HG13 VAL A 17 -7.679 3.846 1.112 1.00 13.22 H new ATOM 0 HG21 VAL A 17 -6.774 0.995 2.004 1.00 23.44 H new ATOM 0 HG22 VAL A 17 -7.979 1.935 2.916 1.00 23.44 H new ATOM 0 HG23 VAL A 17 -8.377 0.299 2.340 1.00 23.44 H new ATOM 278 N ARG A 18 -10.928 1.711 -1.334 1.00 3.23 N ATOM 279 CA ARG A 18 -11.482 2.090 -2.657 1.00 42.31 C ATOM 280 C ARG A 18 -12.892 2.701 -2.539 1.00 75.30 C ATOM 281 O ARG A 18 -13.284 3.493 -3.402 1.00 1.13 O ATOM 282 CB ARG A 18 -11.505 0.902 -3.659 1.00 11.23 C ATOM 283 CG ARG A 18 -10.116 0.308 -3.991 1.00 3.12 C ATOM 284 CD ARG A 18 -10.058 -0.407 -5.355 1.00 64.31 C ATOM 285 NE ARG A 18 -11.103 -1.438 -5.505 1.00 70.12 N ATOM 286 CZ ARG A 18 -11.947 -1.544 -6.555 1.00 51.32 C ATOM 287 NH1 ARG A 18 -11.893 -0.684 -7.571 1.00 61.43 N ATOM 288 NH2 ARG A 18 -12.840 -2.520 -6.573 1.00 24.43 N ATOM 0 H ARG A 18 -10.953 0.710 -1.138 1.00 3.23 H new ATOM 0 HA ARG A 18 -10.805 2.848 -3.051 1.00 42.31 H new ATOM 0 HB2 ARG A 18 -12.134 0.112 -3.250 1.00 11.23 H new ATOM 0 HB3 ARG A 18 -11.973 1.235 -4.585 1.00 11.23 H new ATOM 0 HG2 ARG A 18 -9.376 1.108 -3.978 1.00 3.12 H new ATOM 0 HG3 ARG A 18 -9.836 -0.397 -3.209 1.00 3.12 H new ATOM 0 HD2 ARG A 18 -10.164 0.330 -6.151 1.00 64.31 H new ATOM 0 HD3 ARG A 18 -9.078 -0.869 -5.477 1.00 64.31 H new ATOM 0 HE ARG A 18 -11.196 -2.125 -4.757 1.00 70.12 H new ATOM 0 HH11 ARG A 18 -11.206 0.070 -7.565 1.00 61.43 H new ATOM 0 HH12 ARG A 18 -12.538 -0.780 -8.355 1.00 61.43 H new ATOM 0 HH21 ARG A 18 -12.887 -3.183 -5.799 1.00 24.43 H new ATOM 0 HH22 ARG A 18 -13.482 -2.609 -7.361 1.00 24.43 H new ATOM 302 N LYS A 19 -13.659 2.320 -1.497 1.00 5.34 N ATOM 303 CA LYS A 19 -15.016 2.885 -1.269 1.00 45.15 C ATOM 304 C LYS A 19 -14.899 4.347 -0.822 1.00 2.15 C ATOM 305 O LYS A 19 -15.650 5.215 -1.280 1.00 34.21 O ATOM 306 CB LYS A 19 -15.783 2.064 -0.208 1.00 24.31 C ATOM 307 CG LYS A 19 -17.284 2.414 -0.064 1.00 63.15 C ATOM 308 CD LYS A 19 -18.022 1.584 1.021 1.00 70.42 C ATOM 309 CE LYS A 19 -18.128 0.074 0.705 1.00 61.25 C ATOM 310 NZ LYS A 19 -16.828 -0.655 0.797 1.00 30.24 N ATOM 0 H LYS A 19 -13.370 1.630 -0.803 1.00 5.34 H new ATOM 0 HA LYS A 19 -15.574 2.837 -2.204 1.00 45.15 H new ATOM 0 HB2 LYS A 19 -15.695 1.006 -0.456 1.00 24.31 H new ATOM 0 HB3 LYS A 19 -15.299 2.206 0.758 1.00 24.31 H new ATOM 0 HG2 LYS A 19 -17.379 3.473 0.176 1.00 63.15 H new ATOM 0 HG3 LYS A 19 -17.777 2.259 -1.024 1.00 63.15 H new ATOM 0 HD2 LYS A 19 -17.504 1.709 1.972 1.00 70.42 H new ATOM 0 HD3 LYS A 19 -19.026 1.988 1.150 1.00 70.42 H new ATOM 0 HE2 LYS A 19 -18.839 -0.382 1.394 1.00 61.25 H new ATOM 0 HE3 LYS A 19 -18.533 -0.050 -0.300 1.00 61.25 H new ATOM 0 HZ1 LYS A 19 -16.972 -1.562 1.285 1.00 30.24 H new ATOM 0 HZ2 LYS A 19 -16.460 -0.831 -0.160 1.00 30.24 H new ATOM 0 HZ3 LYS A 19 -16.145 -0.080 1.330 1.00 30.24 H new ATOM 324 N LYS A 20 -13.941 4.594 0.086 1.00 75.35 N ATOM 325 CA LYS A 20 -13.589 5.948 0.535 1.00 42.32 C ATOM 326 C LYS A 20 -12.899 6.738 -0.595 1.00 44.53 C ATOM 327 O LYS A 20 -13.299 7.863 -0.919 1.00 35.02 O ATOM 328 CB LYS A 20 -12.667 5.874 1.781 1.00 20.13 C ATOM 329 CG LYS A 20 -13.371 5.459 3.088 1.00 23.05 C ATOM 330 CD LYS A 20 -12.378 5.270 4.259 1.00 62.32 C ATOM 331 CE LYS A 20 -13.085 5.086 5.614 1.00 3.33 C ATOM 332 NZ LYS A 20 -14.083 3.986 5.597 1.00 3.51 N ATOM 0 H LYS A 20 -13.389 3.859 0.529 1.00 75.35 H new ATOM 0 HA LYS A 20 -14.507 6.471 0.805 1.00 42.32 H new ATOM 0 HB2 LYS A 20 -11.863 5.166 1.578 1.00 20.13 H new ATOM 0 HB3 LYS A 20 -12.203 6.849 1.930 1.00 20.13 H new ATOM 0 HG2 LYS A 20 -14.106 6.217 3.358 1.00 23.05 H new ATOM 0 HG3 LYS A 20 -13.916 4.530 2.924 1.00 23.05 H new ATOM 0 HD2 LYS A 20 -11.750 4.401 4.061 1.00 62.32 H new ATOM 0 HD3 LYS A 20 -11.717 6.135 4.313 1.00 62.32 H new ATOM 0 HE2 LYS A 20 -12.340 4.883 6.383 1.00 3.33 H new ATOM 0 HE3 LYS A 20 -13.581 6.017 5.889 1.00 3.33 H new ATOM 0 HZ1 LYS A 20 -14.516 3.895 6.538 1.00 3.51 H new ATOM 0 HZ2 LYS A 20 -14.821 4.198 4.895 1.00 3.51 H new ATOM 0 HZ3 LYS A 20 -13.612 3.094 5.345 1.00 3.51 H new ATOM 346 N PHE A 21 -11.884 6.113 -1.214 1.00 52.33 N ATOM 347 CA PHE A 21 -10.972 6.779 -2.167 1.00 45.25 C ATOM 348 C PHE A 21 -10.792 5.906 -3.436 1.00 11.53 C ATOM 349 O PHE A 21 -9.874 5.072 -3.493 1.00 50.25 O ATOM 350 CB PHE A 21 -9.572 7.053 -1.517 1.00 32.14 C ATOM 351 CG PHE A 21 -9.606 7.635 -0.105 1.00 71.33 C ATOM 352 CD1 PHE A 21 -9.962 8.967 0.126 1.00 75.03 C ATOM 353 CD2 PHE A 21 -9.282 6.846 0.999 1.00 52.04 C ATOM 354 CE1 PHE A 21 -9.987 9.479 1.414 1.00 34.20 C ATOM 355 CE2 PHE A 21 -9.312 7.364 2.274 1.00 31.31 C ATOM 356 CZ PHE A 21 -9.659 8.671 2.485 1.00 5.32 C ATOM 0 H PHE A 21 -11.669 5.126 -1.069 1.00 52.33 H new ATOM 0 HA PHE A 21 -11.418 7.735 -2.442 1.00 45.25 H new ATOM 0 HB2 PHE A 21 -9.013 6.118 -1.492 1.00 32.14 H new ATOM 0 HB3 PHE A 21 -9.020 7.738 -2.160 1.00 32.14 H new ATOM 0 HD1 PHE A 21 -10.220 9.604 -0.707 1.00 75.03 H new ATOM 0 HD2 PHE A 21 -9.003 5.813 0.851 1.00 52.04 H new ATOM 0 HE1 PHE A 21 -10.263 10.510 1.580 1.00 34.20 H new ATOM 0 HE2 PHE A 21 -9.060 6.734 3.114 1.00 31.31 H new ATOM 0 HZ PHE A 21 -9.676 9.070 3.488 1.00 5.32 H new ATOM 366 N PRO A 22 -11.695 6.034 -4.453 1.00 52.50 N ATOM 367 CA PRO A 22 -11.434 5.497 -5.819 1.00 63.30 C ATOM 368 C PRO A 22 -10.253 6.225 -6.518 1.00 65.12 C ATOM 369 O PRO A 22 -9.720 5.739 -7.521 1.00 31.24 O ATOM 370 CB PRO A 22 -12.779 5.739 -6.562 1.00 22.41 C ATOM 371 CG PRO A 22 -13.465 6.833 -5.791 1.00 13.01 C ATOM 372 CD PRO A 22 -13.061 6.629 -4.347 1.00 4.22 C ATOM 0 HA PRO A 22 -11.136 4.449 -5.807 1.00 63.30 H new ATOM 0 HB2 PRO A 22 -12.609 6.034 -7.597 1.00 22.41 H new ATOM 0 HB3 PRO A 22 -13.385 4.833 -6.584 1.00 22.41 H new ATOM 0 HG2 PRO A 22 -13.158 7.816 -6.149 1.00 13.01 H new ATOM 0 HG3 PRO A 22 -14.547 6.775 -5.907 1.00 13.01 H new ATOM 0 HD2 PRO A 22 -13.048 7.569 -3.796 1.00 4.22 H new ATOM 0 HD3 PRO A 22 -13.750 5.964 -3.827 1.00 4.22 H new ATOM 380 N GLN A 23 -9.857 7.384 -5.951 1.00 52.05 N ATOM 381 CA GLN A 23 -8.788 8.256 -6.486 1.00 43.42 C ATOM 382 C GLN A 23 -7.379 7.617 -6.365 1.00 70.43 C ATOM 383 O GLN A 23 -6.491 7.929 -7.165 1.00 41.31 O ATOM 384 CB GLN A 23 -8.816 9.629 -5.749 1.00 4.14 C ATOM 385 CG GLN A 23 -8.524 9.542 -4.231 1.00 22.25 C ATOM 386 CD GLN A 23 -8.568 10.889 -3.514 1.00 73.03 C ATOM 387 OE1 GLN A 23 -7.573 11.598 -3.434 1.00 14.54 O ATOM 388 NE2 GLN A 23 -9.713 11.244 -2.963 1.00 34.30 N ATOM 0 H GLN A 23 -10.277 7.747 -5.095 1.00 52.05 H new ATOM 0 HA GLN A 23 -8.983 8.396 -7.549 1.00 43.42 H new ATOM 0 HB2 GLN A 23 -8.084 10.291 -6.211 1.00 4.14 H new ATOM 0 HB3 GLN A 23 -9.795 10.086 -5.893 1.00 4.14 H new ATOM 0 HG2 GLN A 23 -9.249 8.872 -3.769 1.00 22.25 H new ATOM 0 HG3 GLN A 23 -7.540 9.096 -4.085 1.00 22.25 H new ATOM 0 HE21 GLN A 23 -10.528 10.636 -3.044 1.00 34.30 H new ATOM 0 HE22 GLN A 23 -9.783 12.127 -2.456 1.00 34.30 H new ATOM 397 N VAL A 24 -7.179 6.729 -5.363 1.00 64.25 N ATOM 398 CA VAL A 24 -5.860 6.100 -5.091 1.00 64.22 C ATOM 399 C VAL A 24 -5.808 4.672 -5.670 1.00 63.01 C ATOM 400 O VAL A 24 -6.840 3.996 -5.765 1.00 10.05 O ATOM 401 CB VAL A 24 -5.517 6.076 -3.548 1.00 61.34 C ATOM 402 CG1 VAL A 24 -5.421 7.508 -2.975 1.00 5.14 C ATOM 403 CG2 VAL A 24 -6.526 5.228 -2.742 1.00 23.21 C ATOM 0 H VAL A 24 -7.917 6.429 -4.726 1.00 64.25 H new ATOM 0 HA VAL A 24 -5.106 6.713 -5.585 1.00 64.22 H new ATOM 0 HB VAL A 24 -4.541 5.601 -3.447 1.00 61.34 H new ATOM 0 HG11 VAL A 24 -5.184 7.459 -1.912 1.00 5.14 H new ATOM 0 HG12 VAL A 24 -4.637 8.057 -3.497 1.00 5.14 H new ATOM 0 HG13 VAL A 24 -6.374 8.019 -3.111 1.00 5.14 H new ATOM 0 HG21 VAL A 24 -6.251 5.240 -1.687 1.00 23.21 H new ATOM 0 HG22 VAL A 24 -7.527 5.643 -2.861 1.00 23.21 H new ATOM 0 HG23 VAL A 24 -6.513 4.202 -3.108 1.00 23.21 H new ATOM 413 N GLU A 25 -4.598 4.236 -6.075 1.00 2.42 N ATOM 414 CA GLU A 25 -4.371 2.883 -6.620 1.00 42.42 C ATOM 415 C GLU A 25 -4.187 1.878 -5.466 1.00 14.13 C ATOM 416 O GLU A 25 -3.144 1.859 -4.825 1.00 30.44 O ATOM 417 CB GLU A 25 -3.115 2.852 -7.536 1.00 64.24 C ATOM 418 CG GLU A 25 -3.161 3.790 -8.754 1.00 33.24 C ATOM 419 CD GLU A 25 -1.939 3.622 -9.678 1.00 41.40 C ATOM 420 OE1 GLU A 25 -0.882 4.229 -9.404 1.00 32.15 O ATOM 421 OE2 GLU A 25 -2.020 2.862 -10.668 1.00 71.13 O ATOM 0 H GLU A 25 -3.755 4.809 -6.034 1.00 2.42 H new ATOM 0 HA GLU A 25 -5.242 2.608 -7.215 1.00 42.42 H new ATOM 0 HB2 GLU A 25 -2.242 3.108 -6.935 1.00 64.24 H new ATOM 0 HB3 GLU A 25 -2.970 1.831 -7.890 1.00 64.24 H new ATOM 0 HG2 GLU A 25 -4.071 3.597 -9.322 1.00 33.24 H new ATOM 0 HG3 GLU A 25 -3.213 4.823 -8.411 1.00 33.24 H new ATOM 428 N VAL A 26 -5.205 1.051 -5.202 1.00 73.11 N ATOM 429 CA VAL A 26 -5.162 0.052 -4.113 1.00 1.41 C ATOM 430 C VAL A 26 -4.781 -1.325 -4.688 1.00 30.14 C ATOM 431 O VAL A 26 -5.353 -1.762 -5.691 1.00 61.22 O ATOM 432 CB VAL A 26 -6.526 -0.007 -3.338 1.00 52.23 C ATOM 433 CG1 VAL A 26 -6.495 -1.044 -2.189 1.00 40.12 C ATOM 434 CG2 VAL A 26 -6.896 1.397 -2.805 1.00 1.33 C ATOM 0 H VAL A 26 -6.078 1.050 -5.729 1.00 73.11 H new ATOM 0 HA VAL A 26 -4.401 0.351 -3.392 1.00 1.41 H new ATOM 0 HB VAL A 26 -7.294 -0.333 -4.039 1.00 52.23 H new ATOM 0 HG11 VAL A 26 -7.459 -1.052 -1.680 1.00 40.12 H new ATOM 0 HG12 VAL A 26 -6.293 -2.034 -2.598 1.00 40.12 H new ATOM 0 HG13 VAL A 26 -5.712 -0.778 -1.479 1.00 40.12 H new ATOM 0 HG21 VAL A 26 -7.844 1.345 -2.269 1.00 1.33 H new ATOM 0 HG22 VAL A 26 -6.116 1.747 -2.129 1.00 1.33 H new ATOM 0 HG23 VAL A 26 -6.990 2.090 -3.641 1.00 1.33 H new ATOM 444 N ARG A 27 -3.821 -2.004 -4.034 1.00 4.14 N ATOM 445 CA ARG A 27 -3.138 -3.190 -4.584 1.00 23.22 C ATOM 446 C ARG A 27 -3.074 -4.298 -3.510 1.00 10.12 C ATOM 447 O ARG A 27 -2.644 -4.044 -2.396 1.00 40.13 O ATOM 448 CB ARG A 27 -1.716 -2.750 -5.047 1.00 23.13 C ATOM 449 CG ARG A 27 -0.958 -3.770 -5.915 1.00 61.34 C ATOM 450 CD ARG A 27 -1.678 -4.091 -7.235 1.00 33.51 C ATOM 451 NE ARG A 27 -1.920 -2.889 -8.065 1.00 71.53 N ATOM 452 CZ ARG A 27 -1.867 -2.857 -9.408 1.00 51.55 C ATOM 453 NH1 ARG A 27 -1.569 -3.949 -10.112 1.00 21.21 N ATOM 454 NH2 ARG A 27 -2.092 -1.715 -10.039 1.00 3.24 N ATOM 0 H ARG A 27 -3.495 -1.744 -3.103 1.00 4.14 H new ATOM 0 HA ARG A 27 -3.680 -3.598 -5.437 1.00 23.22 H new ATOM 0 HB2 ARG A 27 -1.807 -1.819 -5.607 1.00 23.13 H new ATOM 0 HB3 ARG A 27 -1.116 -2.534 -4.163 1.00 23.13 H new ATOM 0 HG2 ARG A 27 0.037 -3.383 -6.135 1.00 61.34 H new ATOM 0 HG3 ARG A 27 -0.823 -4.691 -5.348 1.00 61.34 H new ATOM 0 HD2 ARG A 27 -1.083 -4.805 -7.804 1.00 33.51 H new ATOM 0 HD3 ARG A 27 -2.631 -4.573 -7.016 1.00 33.51 H new ATOM 0 HE ARG A 27 -2.144 -2.019 -7.581 1.00 71.53 H new ATOM 0 HH11 ARG A 27 -1.376 -4.828 -9.632 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -1.534 -3.905 -11.130 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -2.303 -0.871 -9.506 1.00 3.24 H new ATOM 0 HH22 ARG A 27 -2.054 -1.679 -11.058 1.00 3.24 H new ATOM 468 N LEU A 28 -3.489 -5.524 -3.860 1.00 71.23 N ATOM 469 CA LEU A 28 -3.683 -6.634 -2.898 1.00 32.34 C ATOM 470 C LEU A 28 -2.462 -7.592 -2.864 1.00 53.23 C ATOM 471 O LEU A 28 -1.864 -7.892 -3.905 1.00 13.53 O ATOM 472 CB LEU A 28 -4.978 -7.403 -3.285 1.00 4.34 C ATOM 473 CG LEU A 28 -5.404 -8.597 -2.371 1.00 31.04 C ATOM 474 CD1 LEU A 28 -5.698 -8.133 -0.933 1.00 15.21 C ATOM 475 CD2 LEU A 28 -6.607 -9.353 -2.974 1.00 70.13 C ATOM 0 H LEU A 28 -3.703 -5.781 -4.824 1.00 71.23 H new ATOM 0 HA LEU A 28 -3.780 -6.219 -1.895 1.00 32.34 H new ATOM 0 HB2 LEU A 28 -5.800 -6.688 -3.310 1.00 4.34 H new ATOM 0 HB3 LEU A 28 -4.854 -7.782 -4.299 1.00 4.34 H new ATOM 0 HG LEU A 28 -4.564 -9.290 -2.321 1.00 31.04 H new ATOM 0 HD11 LEU A 28 -5.991 -8.990 -0.327 1.00 15.21 H new ATOM 0 HD12 LEU A 28 -4.804 -7.677 -0.508 1.00 15.21 H new ATOM 0 HD13 LEU A 28 -6.507 -7.403 -0.945 1.00 15.21 H new ATOM 0 HD21 LEU A 28 -6.883 -10.179 -2.319 1.00 70.13 H new ATOM 0 HD22 LEU A 28 -7.452 -8.671 -3.075 1.00 70.13 H new ATOM 0 HD23 LEU A 28 -6.337 -9.743 -3.955 1.00 70.13 H new ATOM 487 N VAL A 29 -2.110 -8.057 -1.639 1.00 25.43 N ATOM 488 CA VAL A 29 -1.073 -9.085 -1.394 1.00 33.43 C ATOM 489 C VAL A 29 -1.685 -10.216 -0.551 1.00 43.52 C ATOM 490 O VAL A 29 -1.955 -10.033 0.639 1.00 43.12 O ATOM 491 CB VAL A 29 0.192 -8.506 -0.640 1.00 43.23 C ATOM 492 CG1 VAL A 29 1.241 -9.611 -0.337 1.00 22.52 C ATOM 493 CG2 VAL A 29 0.840 -7.348 -1.421 1.00 33.24 C ATOM 0 H VAL A 29 -2.547 -7.721 -0.781 1.00 25.43 H new ATOM 0 HA VAL A 29 -0.736 -9.451 -2.364 1.00 33.43 H new ATOM 0 HB VAL A 29 -0.166 -8.114 0.312 1.00 43.23 H new ATOM 0 HG11 VAL A 29 2.093 -9.171 0.181 1.00 22.52 H new ATOM 0 HG12 VAL A 29 0.790 -10.378 0.293 1.00 22.52 H new ATOM 0 HG13 VAL A 29 1.577 -10.060 -1.272 1.00 22.52 H new ATOM 0 HG21 VAL A 29 1.705 -6.977 -0.871 1.00 33.24 H new ATOM 0 HG22 VAL A 29 1.158 -7.703 -2.401 1.00 33.24 H new ATOM 0 HG23 VAL A 29 0.116 -6.542 -1.544 1.00 33.24 H new ATOM 503 N THR A 30 -1.919 -11.375 -1.182 1.00 64.23 N ATOM 504 CA THR A 30 -2.426 -12.582 -0.495 1.00 14.22 C ATOM 505 C THR A 30 -1.333 -13.666 -0.409 1.00 30.35 C ATOM 506 O THR A 30 -1.316 -14.472 0.527 1.00 4.33 O ATOM 507 CB THR A 30 -3.704 -13.135 -1.216 1.00 11.04 C ATOM 508 OG1 THR A 30 -3.451 -13.329 -2.621 1.00 14.05 O ATOM 509 CG2 THR A 30 -4.899 -12.182 -1.054 1.00 3.45 C ATOM 0 H THR A 30 -1.764 -11.507 -2.181 1.00 64.23 H new ATOM 0 HA THR A 30 -2.703 -12.302 0.521 1.00 14.22 H new ATOM 0 HB THR A 30 -3.947 -14.090 -0.749 1.00 11.04 H new ATOM 0 HG1 THR A 30 -2.520 -13.098 -2.821 1.00 14.05 H new ATOM 0 HG21 THR A 30 -5.767 -12.597 -1.566 1.00 3.45 H new ATOM 0 HG22 THR A 30 -5.126 -12.060 0.005 1.00 3.45 H new ATOM 0 HG23 THR A 30 -4.652 -11.212 -1.486 1.00 3.45 H new ATOM 517 N THR A 31 -0.420 -13.670 -1.399 1.00 33.54 N ATOM 518 CA THR A 31 0.709 -14.621 -1.473 1.00 73.14 C ATOM 519 C THR A 31 2.041 -13.847 -1.536 1.00 52.44 C ATOM 520 O THR A 31 2.054 -12.610 -1.629 1.00 65.22 O ATOM 521 CB THR A 31 0.577 -15.557 -2.725 1.00 24.33 C ATOM 522 OG1 THR A 31 0.617 -14.777 -3.927 1.00 44.10 O ATOM 523 CG2 THR A 31 -0.723 -16.393 -2.707 1.00 15.04 C ATOM 0 H THR A 31 -0.444 -13.009 -2.176 1.00 33.54 H new ATOM 0 HA THR A 31 0.691 -15.243 -0.578 1.00 73.14 H new ATOM 0 HB THR A 31 1.418 -16.249 -2.692 1.00 24.33 H new ATOM 0 HG1 THR A 31 -0.074 -14.083 -3.890 1.00 44.10 H new ATOM 0 HG21 THR A 31 -0.763 -17.023 -3.596 1.00 15.04 H new ATOM 0 HG22 THR A 31 -0.739 -17.021 -1.816 1.00 15.04 H new ATOM 0 HG23 THR A 31 -1.585 -15.726 -2.696 1.00 15.04 H new ATOM 531 N GLU A 32 3.153 -14.593 -1.487 1.00 22.32 N ATOM 532 CA GLU A 32 4.521 -14.041 -1.566 1.00 43.12 C ATOM 533 C GLU A 32 4.824 -13.510 -2.990 1.00 73.42 C ATOM 534 O GLU A 32 5.489 -12.474 -3.149 1.00 24.43 O ATOM 535 CB GLU A 32 5.537 -15.143 -1.116 1.00 30.31 C ATOM 536 CG GLU A 32 7.042 -14.822 -1.311 1.00 2.14 C ATOM 537 CD GLU A 32 7.490 -13.462 -0.741 1.00 2.34 C ATOM 538 OE1 GLU A 32 7.281 -13.201 0.464 1.00 4.21 O ATOM 539 OE2 GLU A 32 8.073 -12.650 -1.497 1.00 61.24 O ATOM 0 H GLU A 32 3.133 -15.608 -1.390 1.00 22.32 H new ATOM 0 HA GLU A 32 4.615 -13.187 -0.895 1.00 43.12 H new ATOM 0 HB2 GLU A 32 5.367 -15.352 -0.060 1.00 30.31 H new ATOM 0 HB3 GLU A 32 5.310 -16.059 -1.662 1.00 30.31 H new ATOM 0 HG2 GLU A 32 7.631 -15.609 -0.841 1.00 2.14 H new ATOM 0 HG3 GLU A 32 7.270 -14.847 -2.377 1.00 2.14 H new ATOM 546 N GLU A 33 4.308 -14.206 -4.019 1.00 14.43 N ATOM 547 CA GLU A 33 4.488 -13.800 -5.430 1.00 35.35 C ATOM 548 C GLU A 33 3.708 -12.506 -5.744 1.00 41.24 C ATOM 549 O GLU A 33 4.115 -11.739 -6.626 1.00 34.40 O ATOM 550 CB GLU A 33 4.100 -14.958 -6.386 1.00 73.32 C ATOM 551 CG GLU A 33 2.642 -15.457 -6.266 1.00 52.32 C ATOM 552 CD GLU A 33 2.401 -16.797 -6.982 1.00 11.53 C ATOM 553 OE1 GLU A 33 2.635 -17.860 -6.364 1.00 11.30 O ATOM 554 OE2 GLU A 33 1.987 -16.799 -8.161 1.00 54.14 O ATOM 0 H GLU A 33 3.759 -15.058 -3.901 1.00 14.43 H new ATOM 0 HA GLU A 33 5.543 -13.580 -5.591 1.00 35.35 H new ATOM 0 HB2 GLU A 33 4.271 -14.632 -7.412 1.00 73.32 H new ATOM 0 HB3 GLU A 33 4.770 -15.798 -6.202 1.00 73.32 H new ATOM 0 HG2 GLU A 33 2.387 -15.564 -5.212 1.00 52.32 H new ATOM 0 HG3 GLU A 33 1.972 -14.704 -6.681 1.00 52.32 H new ATOM 561 N ASP A 34 2.604 -12.259 -4.992 1.00 54.11 N ATOM 562 CA ASP A 34 1.876 -10.976 -5.047 1.00 52.01 C ATOM 563 C ASP A 34 2.797 -9.829 -4.637 1.00 20.14 C ATOM 564 O ASP A 34 2.887 -8.835 -5.345 1.00 24.10 O ATOM 565 CB ASP A 34 0.613 -10.961 -4.141 1.00 43.21 C ATOM 566 CG ASP A 34 -0.603 -11.665 -4.754 1.00 44.24 C ATOM 567 OD1 ASP A 34 -0.996 -11.310 -5.886 1.00 73.21 O ATOM 568 OD2 ASP A 34 -1.188 -12.556 -4.104 1.00 45.23 O ATOM 0 H ASP A 34 2.203 -12.935 -4.342 1.00 54.11 H new ATOM 0 HA ASP A 34 1.547 -10.850 -6.078 1.00 52.01 H new ATOM 0 HB2 ASP A 34 0.855 -11.437 -3.191 1.00 43.21 H new ATOM 0 HB3 ASP A 34 0.348 -9.927 -3.921 1.00 43.21 H new ATOM 573 N ALA A 35 3.492 -10.008 -3.493 1.00 55.34 N ATOM 574 CA ALA A 35 4.401 -8.996 -2.926 1.00 75.55 C ATOM 575 C ALA A 35 5.489 -8.585 -3.940 1.00 53.23 C ATOM 576 O ALA A 35 5.784 -7.398 -4.077 1.00 13.21 O ATOM 577 CB ALA A 35 5.033 -9.514 -1.628 1.00 54.45 C ATOM 0 H ALA A 35 3.436 -10.862 -2.937 1.00 55.34 H new ATOM 0 HA ALA A 35 3.814 -8.107 -2.696 1.00 75.55 H new ATOM 0 HB1 ALA A 35 5.702 -8.756 -1.221 1.00 54.45 H new ATOM 0 HB2 ALA A 35 4.249 -9.733 -0.903 1.00 54.45 H new ATOM 0 HB3 ALA A 35 5.598 -10.422 -1.836 1.00 54.45 H new ATOM 583 N LYS A 36 6.049 -9.589 -4.652 1.00 50.12 N ATOM 584 CA LYS A 36 7.024 -9.379 -5.747 1.00 74.22 C ATOM 585 C LYS A 36 6.443 -8.478 -6.857 1.00 55.25 C ATOM 586 O LYS A 36 7.080 -7.503 -7.277 1.00 74.14 O ATOM 587 CB LYS A 36 7.442 -10.741 -6.361 1.00 34.43 C ATOM 588 CG LYS A 36 8.169 -11.676 -5.381 1.00 24.13 C ATOM 589 CD LYS A 36 8.585 -13.010 -6.033 1.00 70.54 C ATOM 590 CE LYS A 36 9.572 -13.801 -5.162 1.00 34.11 C ATOM 591 NZ LYS A 36 9.039 -14.053 -3.802 1.00 61.44 N ATOM 0 H LYS A 36 5.837 -10.572 -4.483 1.00 50.12 H new ATOM 0 HA LYS A 36 7.895 -8.883 -5.319 1.00 74.22 H new ATOM 0 HB2 LYS A 36 6.552 -11.247 -6.736 1.00 34.43 H new ATOM 0 HB3 LYS A 36 8.089 -10.557 -7.219 1.00 34.43 H new ATOM 0 HG2 LYS A 36 9.055 -11.173 -4.994 1.00 24.13 H new ATOM 0 HG3 LYS A 36 7.520 -11.879 -4.529 1.00 24.13 H new ATOM 0 HD2 LYS A 36 7.697 -13.616 -6.214 1.00 70.54 H new ATOM 0 HD3 LYS A 36 9.039 -12.811 -7.004 1.00 70.54 H new ATOM 0 HE2 LYS A 36 9.798 -14.752 -5.644 1.00 34.11 H new ATOM 0 HE3 LYS A 36 10.510 -13.251 -5.087 1.00 34.11 H new ATOM 0 HZ1 LYS A 36 9.581 -13.499 -3.109 1.00 61.44 H new ATOM 0 HZ2 LYS A 36 8.038 -13.772 -3.764 1.00 61.44 H new ATOM 0 HZ3 LYS A 36 9.123 -15.065 -3.578 1.00 61.44 H new ATOM 605 N GLN A 37 5.221 -8.839 -7.312 1.00 55.44 N ATOM 606 CA GLN A 37 4.485 -8.098 -8.357 1.00 3.14 C ATOM 607 C GLN A 37 4.261 -6.633 -7.939 1.00 20.33 C ATOM 608 O GLN A 37 4.487 -5.726 -8.737 1.00 45.22 O ATOM 609 CB GLN A 37 3.128 -8.791 -8.666 1.00 3.34 C ATOM 610 CG GLN A 37 3.258 -10.184 -9.318 1.00 60.11 C ATOM 611 CD GLN A 37 1.936 -10.960 -9.412 1.00 51.42 C ATOM 612 OE1 GLN A 37 1.705 -11.707 -10.366 1.00 23.03 O ATOM 613 NE2 GLN A 37 1.090 -10.849 -8.399 1.00 45.12 N ATOM 0 H GLN A 37 4.718 -9.655 -6.962 1.00 55.44 H new ATOM 0 HA GLN A 37 5.090 -8.103 -9.264 1.00 3.14 H new ATOM 0 HB2 GLN A 37 2.564 -8.889 -7.738 1.00 3.34 H new ATOM 0 HB3 GLN A 37 2.547 -8.147 -9.326 1.00 3.34 H new ATOM 0 HG2 GLN A 37 3.670 -10.067 -10.320 1.00 60.11 H new ATOM 0 HG3 GLN A 37 3.974 -10.775 -8.747 1.00 60.11 H new ATOM 0 HE21 GLN A 37 1.304 -10.224 -7.622 1.00 45.12 H new ATOM 0 HE22 GLN A 37 0.224 -11.388 -8.396 1.00 45.12 H new ATOM 622 N VAL A 38 3.863 -6.433 -6.670 1.00 72.41 N ATOM 623 CA VAL A 38 3.553 -5.106 -6.114 1.00 72.15 C ATOM 624 C VAL A 38 4.801 -4.197 -6.089 1.00 5.33 C ATOM 625 O VAL A 38 4.699 -3.025 -6.441 1.00 53.12 O ATOM 626 CB VAL A 38 2.907 -5.219 -4.680 1.00 3.03 C ATOM 627 CG1 VAL A 38 2.643 -3.827 -4.066 1.00 31.01 C ATOM 628 CG2 VAL A 38 1.598 -6.047 -4.730 1.00 65.24 C ATOM 0 H VAL A 38 3.747 -7.192 -5.999 1.00 72.41 H new ATOM 0 HA VAL A 38 2.819 -4.643 -6.774 1.00 72.15 H new ATOM 0 HB VAL A 38 3.621 -5.736 -4.039 1.00 3.03 H new ATOM 0 HG11 VAL A 38 2.198 -3.944 -3.078 1.00 31.01 H new ATOM 0 HG12 VAL A 38 3.584 -3.284 -3.978 1.00 31.01 H new ATOM 0 HG13 VAL A 38 1.961 -3.270 -4.708 1.00 31.01 H new ATOM 0 HG21 VAL A 38 1.170 -6.112 -3.730 1.00 65.24 H new ATOM 0 HG22 VAL A 38 0.886 -5.563 -5.399 1.00 65.24 H new ATOM 0 HG23 VAL A 38 1.816 -7.050 -5.097 1.00 65.24 H new ATOM 638 N ILE A 39 5.972 -4.761 -5.721 1.00 65.33 N ATOM 639 CA ILE A 39 7.259 -4.019 -5.702 1.00 34.35 C ATOM 640 C ILE A 39 7.588 -3.480 -7.116 1.00 22.33 C ATOM 641 O ILE A 39 7.921 -2.303 -7.280 1.00 15.55 O ATOM 642 CB ILE A 39 8.439 -4.929 -5.169 1.00 63.13 C ATOM 643 CG1 ILE A 39 8.174 -5.378 -3.695 1.00 2.51 C ATOM 644 CG2 ILE A 39 9.807 -4.213 -5.278 1.00 2.12 C ATOM 645 CD1 ILE A 39 9.172 -6.384 -3.139 1.00 41.52 C ATOM 0 H ILE A 39 6.056 -5.735 -5.430 1.00 65.33 H new ATOM 0 HA ILE A 39 7.153 -3.176 -5.019 1.00 34.35 H new ATOM 0 HB ILE A 39 8.476 -5.816 -5.802 1.00 63.13 H new ATOM 0 HG12 ILE A 39 8.177 -4.495 -3.056 1.00 2.51 H new ATOM 0 HG13 ILE A 39 7.175 -5.810 -3.637 1.00 2.51 H new ATOM 0 HG21 ILE A 39 10.592 -4.869 -4.902 1.00 2.12 H new ATOM 0 HG22 ILE A 39 10.007 -3.968 -6.321 1.00 2.12 H new ATOM 0 HG23 ILE A 39 9.786 -3.297 -4.687 1.00 2.12 H new ATOM 0 HD11 ILE A 39 8.904 -6.633 -2.112 1.00 41.52 H new ATOM 0 HD12 ILE A 39 9.155 -7.288 -3.748 1.00 41.52 H new ATOM 0 HD13 ILE A 39 10.173 -5.952 -3.158 1.00 41.52 H new ATOM 657 N LYS A 40 7.424 -4.355 -8.125 1.00 44.30 N ATOM 658 CA LYS A 40 7.694 -4.028 -9.543 1.00 0.31 C ATOM 659 C LYS A 40 6.602 -3.103 -10.129 1.00 20.23 C ATOM 660 O LYS A 40 6.863 -2.355 -11.075 1.00 61.21 O ATOM 661 CB LYS A 40 7.803 -5.333 -10.370 1.00 65.52 C ATOM 662 CG LYS A 40 8.945 -6.277 -9.912 1.00 23.01 C ATOM 663 CD LYS A 40 8.976 -7.620 -10.688 1.00 65.22 C ATOM 664 CE LYS A 40 7.701 -8.463 -10.486 1.00 71.23 C ATOM 665 NZ LYS A 40 7.783 -9.778 -11.182 1.00 72.25 N ATOM 0 H LYS A 40 7.100 -5.312 -7.983 1.00 44.30 H new ATOM 0 HA LYS A 40 8.640 -3.490 -9.595 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.856 -5.869 -10.310 1.00 65.52 H new ATOM 0 HB3 LYS A 40 7.957 -5.075 -11.418 1.00 65.52 H new ATOM 0 HG2 LYS A 40 9.901 -5.769 -10.040 1.00 23.01 H new ATOM 0 HG3 LYS A 40 8.833 -6.482 -8.847 1.00 23.01 H new ATOM 0 HD2 LYS A 40 9.105 -7.416 -11.751 1.00 65.22 H new ATOM 0 HD3 LYS A 40 9.842 -8.199 -10.367 1.00 65.22 H new ATOM 0 HE2 LYS A 40 7.540 -8.627 -9.420 1.00 71.23 H new ATOM 0 HE3 LYS A 40 6.838 -7.910 -10.857 1.00 71.23 H new ATOM 0 HZ1 LYS A 40 6.905 -10.312 -11.020 1.00 72.25 H new ATOM 0 HZ2 LYS A 40 7.911 -9.623 -12.202 1.00 72.25 H new ATOM 0 HZ3 LYS A 40 8.590 -10.318 -10.810 1.00 72.25 H new ATOM 679 N GLU A 41 5.388 -3.160 -9.545 1.00 44.52 N ATOM 680 CA GLU A 41 4.231 -2.349 -9.984 1.00 5.31 C ATOM 681 C GLU A 41 4.417 -0.887 -9.536 1.00 70.23 C ATOM 682 O GLU A 41 4.102 0.052 -10.276 1.00 73.01 O ATOM 683 CB GLU A 41 2.914 -2.917 -9.389 1.00 11.11 C ATOM 684 CG GLU A 41 1.628 -2.366 -10.037 1.00 63.25 C ATOM 685 CD GLU A 41 1.410 -2.872 -11.482 1.00 11.32 C ATOM 686 OE1 GLU A 41 0.925 -4.012 -11.658 1.00 21.53 O ATOM 687 OE2 GLU A 41 1.718 -2.143 -12.445 1.00 73.53 O ATOM 0 H GLU A 41 5.181 -3.770 -8.754 1.00 44.52 H new ATOM 0 HA GLU A 41 4.170 -2.388 -11.072 1.00 5.31 H new ATOM 0 HB2 GLU A 41 2.922 -4.002 -9.493 1.00 11.11 H new ATOM 0 HB3 GLU A 41 2.889 -2.699 -8.321 1.00 11.11 H new ATOM 0 HG2 GLU A 41 0.771 -2.649 -9.426 1.00 63.25 H new ATOM 0 HG3 GLU A 41 1.669 -1.277 -10.042 1.00 63.25 H new ATOM 694 N ILE A 42 4.921 -0.738 -8.295 1.00 75.02 N ATOM 695 CA ILE A 42 5.342 0.548 -7.719 1.00 31.30 C ATOM 696 C ILE A 42 6.395 1.206 -8.632 1.00 31.22 C ATOM 697 O ILE A 42 6.315 2.392 -8.931 1.00 2.21 O ATOM 698 CB ILE A 42 5.926 0.338 -6.261 1.00 55.41 C ATOM 699 CG1 ILE A 42 4.815 -0.164 -5.277 1.00 52.45 C ATOM 700 CG2 ILE A 42 6.597 1.621 -5.728 1.00 0.42 C ATOM 701 CD1 ILE A 42 5.335 -0.712 -3.950 1.00 75.33 C ATOM 0 H ILE A 42 5.048 -1.523 -7.656 1.00 75.02 H new ATOM 0 HA ILE A 42 4.475 1.205 -7.647 1.00 31.30 H new ATOM 0 HB ILE A 42 6.695 -0.432 -6.325 1.00 55.41 H new ATOM 0 HG12 ILE A 42 4.132 0.660 -5.071 1.00 52.45 H new ATOM 0 HG13 ILE A 42 4.235 -0.942 -5.773 1.00 52.45 H new ATOM 0 HG21 ILE A 42 6.986 1.439 -4.726 1.00 0.42 H new ATOM 0 HG22 ILE A 42 7.416 1.905 -6.389 1.00 0.42 H new ATOM 0 HG23 ILE A 42 5.864 2.427 -5.692 1.00 0.42 H new ATOM 0 HD11 ILE A 42 4.495 -1.035 -3.335 1.00 75.33 H new ATOM 0 HD12 ILE A 42 5.993 -1.560 -4.139 1.00 75.33 H new ATOM 0 HD13 ILE A 42 5.889 0.067 -3.427 1.00 75.33 H new ATOM 713 N GLN A 43 7.356 0.389 -9.097 1.00 62.44 N ATOM 714 CA GLN A 43 8.444 0.834 -9.993 1.00 55.23 C ATOM 715 C GLN A 43 7.921 1.124 -11.420 1.00 65.22 C ATOM 716 O GLN A 43 8.524 1.917 -12.151 1.00 3.50 O ATOM 717 CB GLN A 43 9.563 -0.236 -10.024 1.00 3.22 C ATOM 718 CG GLN A 43 10.213 -0.508 -8.648 1.00 43.02 C ATOM 719 CD GLN A 43 11.203 -1.676 -8.656 1.00 35.34 C ATOM 720 OE1 GLN A 43 11.851 -1.961 -9.663 1.00 73.32 O ATOM 721 NE2 GLN A 43 11.333 -2.362 -7.532 1.00 32.42 N ATOM 0 H GLN A 43 7.402 -0.603 -8.863 1.00 62.44 H new ATOM 0 HA GLN A 43 8.852 1.767 -9.603 1.00 55.23 H new ATOM 0 HB2 GLN A 43 9.149 -1.168 -10.409 1.00 3.22 H new ATOM 0 HB3 GLN A 43 10.336 0.082 -10.723 1.00 3.22 H new ATOM 0 HG2 GLN A 43 10.729 0.392 -8.316 1.00 43.02 H new ATOM 0 HG3 GLN A 43 9.429 -0.713 -7.919 1.00 43.02 H new ATOM 0 HE21 GLN A 43 10.784 -2.105 -6.711 1.00 32.42 H new ATOM 0 HE22 GLN A 43 11.982 -3.148 -7.486 1.00 32.42 H new ATOM 730 N LYS A 44 6.805 0.470 -11.805 1.00 75.40 N ATOM 731 CA LYS A 44 6.151 0.677 -13.113 1.00 4.41 C ATOM 732 C LYS A 44 5.481 2.070 -13.183 1.00 12.42 C ATOM 733 O LYS A 44 5.575 2.758 -14.210 1.00 2.03 O ATOM 734 CB LYS A 44 5.105 -0.451 -13.388 1.00 42.45 C ATOM 735 CG LYS A 44 4.357 -0.393 -14.761 1.00 42.42 C ATOM 736 CD LYS A 44 5.155 -0.954 -15.982 1.00 43.22 C ATOM 737 CE LYS A 44 6.362 -0.095 -16.418 1.00 50.13 C ATOM 738 NZ LYS A 44 5.969 1.299 -16.768 1.00 33.21 N ATOM 0 H LYS A 44 6.332 -0.217 -11.217 1.00 75.40 H new ATOM 0 HA LYS A 44 6.918 0.632 -13.886 1.00 4.41 H new ATOM 0 HB2 LYS A 44 5.614 -1.412 -13.318 1.00 42.45 H new ATOM 0 HB3 LYS A 44 4.360 -0.426 -12.593 1.00 42.45 H new ATOM 0 HG2 LYS A 44 3.424 -0.950 -14.671 1.00 42.42 H new ATOM 0 HG3 LYS A 44 4.091 0.644 -14.967 1.00 42.42 H new ATOM 0 HD2 LYS A 44 5.509 -1.955 -15.737 1.00 43.22 H new ATOM 0 HD3 LYS A 44 4.474 -1.055 -16.827 1.00 43.22 H new ATOM 0 HE2 LYS A 44 7.097 -0.071 -15.614 1.00 50.13 H new ATOM 0 HE3 LYS A 44 6.844 -0.560 -17.277 1.00 50.13 H new ATOM 0 HZ1 LYS A 44 6.723 1.741 -17.332 1.00 33.21 H new ATOM 0 HZ2 LYS A 44 5.088 1.283 -17.320 1.00 33.21 H new ATOM 0 HZ3 LYS A 44 5.822 1.847 -15.897 1.00 33.21 H new ATOM 752 N LYS A 45 4.794 2.469 -12.092 1.00 43.45 N ATOM 753 CA LYS A 45 4.130 3.799 -11.998 1.00 41.44 C ATOM 754 C LYS A 45 5.126 4.861 -11.514 1.00 73.44 C ATOM 755 O LYS A 45 4.885 6.057 -11.671 1.00 43.30 O ATOM 756 CB LYS A 45 2.914 3.763 -11.023 1.00 24.33 C ATOM 757 CG LYS A 45 2.035 2.510 -11.127 1.00 44.01 C ATOM 758 CD LYS A 45 1.524 2.251 -12.558 1.00 4.35 C ATOM 759 CE LYS A 45 0.824 0.901 -12.668 1.00 34.11 C ATOM 760 NZ LYS A 45 -0.359 0.790 -11.771 1.00 22.44 N ATOM 0 H LYS A 45 4.681 1.892 -11.259 1.00 43.45 H new ATOM 0 HA LYS A 45 3.772 4.053 -12.996 1.00 41.44 H new ATOM 0 HB2 LYS A 45 3.285 3.844 -10.001 1.00 24.33 H new ATOM 0 HB3 LYS A 45 2.293 4.640 -11.208 1.00 24.33 H new ATOM 0 HG2 LYS A 45 2.604 1.644 -10.788 1.00 44.01 H new ATOM 0 HG3 LYS A 45 1.183 2.614 -10.456 1.00 44.01 H new ATOM 0 HD2 LYS A 45 0.834 3.044 -12.848 1.00 4.35 H new ATOM 0 HD3 LYS A 45 2.361 2.286 -13.256 1.00 4.35 H new ATOM 0 HE2 LYS A 45 0.508 0.743 -13.699 1.00 34.11 H new ATOM 0 HE3 LYS A 45 1.533 0.109 -12.427 1.00 34.11 H new ATOM 0 HZ1 LYS A 45 -1.114 0.265 -12.256 1.00 22.44 H new ATOM 0 HZ2 LYS A 45 -0.090 0.286 -10.902 1.00 22.44 H new ATOM 0 HZ3 LYS A 45 -0.700 1.742 -11.527 1.00 22.44 H new ATOM 774 N GLY A 46 6.220 4.393 -10.893 1.00 25.34 N ATOM 775 CA GLY A 46 7.239 5.277 -10.315 1.00 71.41 C ATOM 776 C GLY A 46 6.737 5.995 -9.065 1.00 21.43 C ATOM 777 O GLY A 46 6.961 7.199 -8.890 1.00 5.30 O ATOM 0 H GLY A 46 6.420 3.399 -10.779 1.00 25.34 H new ATOM 0 HA2 GLY A 46 8.125 4.693 -10.065 1.00 71.41 H new ATOM 0 HA3 GLY A 46 7.542 6.014 -11.058 1.00 71.41 H new ATOM 781 N VAL A 47 6.086 5.231 -8.180 1.00 20.30 N ATOM 782 CA VAL A 47 5.398 5.759 -6.992 1.00 32.24 C ATOM 783 C VAL A 47 6.434 6.083 -5.913 1.00 42.22 C ATOM 784 O VAL A 47 7.265 5.235 -5.592 1.00 10.13 O ATOM 785 CB VAL A 47 4.360 4.728 -6.413 1.00 62.23 C ATOM 786 CG1 VAL A 47 3.418 5.385 -5.380 1.00 22.04 C ATOM 787 CG2 VAL A 47 3.565 4.047 -7.534 1.00 11.11 C ATOM 0 H VAL A 47 6.020 4.217 -8.268 1.00 20.30 H new ATOM 0 HA VAL A 47 4.856 6.657 -7.289 1.00 32.24 H new ATOM 0 HB VAL A 47 4.927 3.957 -5.892 1.00 62.23 H new ATOM 0 HG11 VAL A 47 2.716 4.641 -5.003 1.00 22.04 H new ATOM 0 HG12 VAL A 47 4.006 5.781 -4.552 1.00 22.04 H new ATOM 0 HG13 VAL A 47 2.867 6.197 -5.855 1.00 22.04 H new ATOM 0 HG21 VAL A 47 2.857 3.341 -7.101 1.00 11.11 H new ATOM 0 HG22 VAL A 47 3.023 4.801 -8.105 1.00 11.11 H new ATOM 0 HG23 VAL A 47 4.250 3.515 -8.194 1.00 11.11 H new ATOM 797 N GLN A 48 6.396 7.308 -5.387 1.00 64.33 N ATOM 798 CA GLN A 48 7.336 7.758 -4.346 1.00 34.12 C ATOM 799 C GLN A 48 6.830 7.392 -2.942 1.00 5.20 C ATOM 800 O GLN A 48 7.617 7.033 -2.067 1.00 0.23 O ATOM 801 CB GLN A 48 7.588 9.285 -4.483 1.00 2.03 C ATOM 802 CG GLN A 48 8.221 9.706 -5.829 1.00 11.22 C ATOM 803 CD GLN A 48 9.514 8.938 -6.153 1.00 43.11 C ATOM 804 OE1 GLN A 48 10.611 9.348 -5.774 1.00 64.13 O ATOM 805 NE2 GLN A 48 9.398 7.832 -6.878 1.00 21.20 N ATOM 0 H GLN A 48 5.718 8.017 -5.665 1.00 64.33 H new ATOM 0 HA GLN A 48 8.285 7.240 -4.486 1.00 34.12 H new ATOM 0 HB2 GLN A 48 6.641 9.810 -4.360 1.00 2.03 H new ATOM 0 HB3 GLN A 48 8.240 9.608 -3.671 1.00 2.03 H new ATOM 0 HG2 GLN A 48 7.499 9.545 -6.630 1.00 11.22 H new ATOM 0 HG3 GLN A 48 8.436 10.774 -5.804 1.00 11.22 H new ATOM 0 HE21 GLN A 48 8.477 7.514 -7.179 1.00 21.20 H new ATOM 0 HE22 GLN A 48 10.230 7.300 -7.134 1.00 21.20 H new ATOM 814 N LYS A 49 5.504 7.496 -2.732 1.00 31.34 N ATOM 815 CA LYS A 49 4.868 7.218 -1.425 1.00 64.41 C ATOM 816 C LYS A 49 3.916 6.023 -1.547 1.00 71.21 C ATOM 817 O LYS A 49 2.986 6.053 -2.354 1.00 64.32 O ATOM 818 CB LYS A 49 4.091 8.471 -0.947 1.00 10.44 C ATOM 819 CG LYS A 49 4.911 9.772 -1.012 1.00 13.51 C ATOM 820 CD LYS A 49 4.098 11.013 -0.597 1.00 43.22 C ATOM 821 CE LYS A 49 4.842 12.323 -0.890 1.00 1.05 C ATOM 822 NZ LYS A 49 6.144 12.426 -0.182 1.00 63.53 N ATOM 0 H LYS A 49 4.844 7.774 -3.458 1.00 31.34 H new ATOM 0 HA LYS A 49 5.641 6.976 -0.695 1.00 64.41 H new ATOM 0 HB2 LYS A 49 3.195 8.586 -1.557 1.00 10.44 H new ATOM 0 HB3 LYS A 49 3.760 8.312 0.079 1.00 10.44 H new ATOM 0 HG2 LYS A 49 5.781 9.680 -0.362 1.00 13.51 H new ATOM 0 HG3 LYS A 49 5.284 9.911 -2.027 1.00 13.51 H new ATOM 0 HD2 LYS A 49 3.145 11.013 -1.126 1.00 43.22 H new ATOM 0 HD3 LYS A 49 3.872 10.957 0.468 1.00 43.22 H new ATOM 0 HE2 LYS A 49 5.012 12.405 -1.964 1.00 1.05 H new ATOM 0 HE3 LYS A 49 4.211 13.164 -0.602 1.00 1.05 H new ATOM 0 HZ1 LYS A 49 6.590 13.338 -0.406 1.00 63.53 H new ATOM 0 HZ2 LYS A 49 5.987 12.360 0.844 1.00 63.53 H new ATOM 0 HZ3 LYS A 49 6.767 11.652 -0.487 1.00 63.53 H new ATOM 836 N VAL A 50 4.159 4.975 -0.749 1.00 24.21 N ATOM 837 CA VAL A 50 3.337 3.751 -0.740 1.00 64.32 C ATOM 838 C VAL A 50 2.806 3.488 0.679 1.00 11.01 C ATOM 839 O VAL A 50 3.572 3.472 1.643 1.00 45.23 O ATOM 840 CB VAL A 50 4.165 2.515 -1.258 1.00 21.52 C ATOM 841 CG1 VAL A 50 3.367 1.194 -1.152 1.00 4.15 C ATOM 842 CG2 VAL A 50 4.639 2.757 -2.710 1.00 53.41 C ATOM 0 H VAL A 50 4.935 4.949 -0.087 1.00 24.21 H new ATOM 0 HA VAL A 50 2.492 3.895 -1.413 1.00 64.32 H new ATOM 0 HB VAL A 50 5.039 2.411 -0.614 1.00 21.52 H new ATOM 0 HG11 VAL A 50 3.978 0.370 -1.520 1.00 4.15 H new ATOM 0 HG12 VAL A 50 3.101 1.012 -0.111 1.00 4.15 H new ATOM 0 HG13 VAL A 50 2.459 1.268 -1.750 1.00 4.15 H new ATOM 0 HG21 VAL A 50 5.210 1.895 -3.055 1.00 53.41 H new ATOM 0 HG22 VAL A 50 3.773 2.901 -3.356 1.00 53.41 H new ATOM 0 HG23 VAL A 50 5.269 3.646 -2.744 1.00 53.41 H new ATOM 852 N VAL A 51 1.484 3.293 0.790 1.00 1.54 N ATOM 853 CA VAL A 51 0.810 2.965 2.053 1.00 33.41 C ATOM 854 C VAL A 51 0.722 1.439 2.197 1.00 72.22 C ATOM 855 O VAL A 51 0.265 0.774 1.285 1.00 45.33 O ATOM 856 CB VAL A 51 -0.637 3.578 2.090 1.00 2.43 C ATOM 857 CG1 VAL A 51 -1.392 3.205 3.378 1.00 44.44 C ATOM 858 CG2 VAL A 51 -0.594 5.100 1.911 1.00 42.12 C ATOM 0 H VAL A 51 0.847 3.359 -0.004 1.00 1.54 H new ATOM 0 HA VAL A 51 1.386 3.387 2.877 1.00 33.41 H new ATOM 0 HB VAL A 51 -1.187 3.145 1.254 1.00 2.43 H new ATOM 0 HG11 VAL A 51 -2.387 3.651 3.359 1.00 44.44 H new ATOM 0 HG12 VAL A 51 -1.481 2.121 3.446 1.00 44.44 H new ATOM 0 HG13 VAL A 51 -0.843 3.579 4.243 1.00 44.44 H new ATOM 0 HG21 VAL A 51 -1.608 5.499 1.940 1.00 42.12 H new ATOM 0 HG22 VAL A 51 -0.006 5.544 2.714 1.00 42.12 H new ATOM 0 HG23 VAL A 51 -0.137 5.341 0.951 1.00 42.12 H new ATOM 868 N LEU A 52 1.174 0.891 3.329 1.00 3.34 N ATOM 869 CA LEU A 52 1.070 -0.546 3.621 1.00 51.10 C ATOM 870 C LEU A 52 0.061 -0.767 4.772 1.00 73.22 C ATOM 871 O LEU A 52 0.406 -0.651 5.943 1.00 71.24 O ATOM 872 CB LEU A 52 2.481 -1.108 3.966 1.00 35.40 C ATOM 873 CG LEU A 52 3.551 -1.059 2.820 1.00 53.41 C ATOM 874 CD1 LEU A 52 4.921 -1.581 3.295 1.00 31.52 C ATOM 875 CD2 LEU A 52 3.089 -1.833 1.580 1.00 3.10 C ATOM 0 H LEU A 52 1.623 1.429 4.070 1.00 3.34 H new ATOM 0 HA LEU A 52 0.701 -1.085 2.748 1.00 51.10 H new ATOM 0 HB2 LEU A 52 2.870 -0.554 4.820 1.00 35.40 H new ATOM 0 HB3 LEU A 52 2.368 -2.145 4.283 1.00 35.40 H new ATOM 0 HG LEU A 52 3.664 -0.011 2.544 1.00 53.41 H new ATOM 0 HD11 LEU A 52 5.635 -1.531 2.473 1.00 31.52 H new ATOM 0 HD12 LEU A 52 5.277 -0.967 4.122 1.00 31.52 H new ATOM 0 HD13 LEU A 52 4.822 -2.615 3.626 1.00 31.52 H new ATOM 0 HD21 LEU A 52 3.857 -1.776 0.808 1.00 3.10 H new ATOM 0 HD22 LEU A 52 2.918 -2.876 1.845 1.00 3.10 H new ATOM 0 HD23 LEU A 52 2.163 -1.398 1.204 1.00 3.10 H new ATOM 887 N VAL A 53 -1.206 -1.050 4.420 1.00 65.54 N ATOM 888 CA VAL A 53 -2.299 -1.262 5.390 1.00 62.23 C ATOM 889 C VAL A 53 -2.293 -2.709 5.912 1.00 52.31 C ATOM 890 O VAL A 53 -2.582 -3.653 5.159 1.00 72.13 O ATOM 891 CB VAL A 53 -3.711 -0.939 4.761 1.00 23.21 C ATOM 892 CG1 VAL A 53 -4.855 -1.099 5.797 1.00 14.22 C ATOM 893 CG2 VAL A 53 -3.732 0.468 4.136 1.00 51.33 C ATOM 0 H VAL A 53 -1.504 -1.139 3.448 1.00 65.54 H new ATOM 0 HA VAL A 53 -2.125 -0.576 6.219 1.00 62.23 H new ATOM 0 HB VAL A 53 -3.883 -1.667 3.968 1.00 23.21 H new ATOM 0 HG11 VAL A 53 -5.809 -0.868 5.324 1.00 14.22 H new ATOM 0 HG12 VAL A 53 -4.872 -2.125 6.165 1.00 14.22 H new ATOM 0 HG13 VAL A 53 -4.689 -0.417 6.631 1.00 14.22 H new ATOM 0 HG21 VAL A 53 -4.717 0.663 3.711 1.00 51.33 H new ATOM 0 HG22 VAL A 53 -3.515 1.211 4.904 1.00 51.33 H new ATOM 0 HG23 VAL A 53 -2.979 0.528 3.350 1.00 51.33 H new ATOM 903 N GLY A 54 -1.942 -2.854 7.205 1.00 10.14 N ATOM 904 CA GLY A 54 -2.027 -4.125 7.918 1.00 73.15 C ATOM 905 C GLY A 54 -1.120 -5.213 7.349 1.00 43.12 C ATOM 906 O GLY A 54 -1.562 -6.342 7.129 1.00 11.55 O ATOM 0 H GLY A 54 -1.592 -2.086 7.777 1.00 10.14 H new ATOM 0 HA2 GLY A 54 -1.770 -3.962 8.965 1.00 73.15 H new ATOM 0 HA3 GLY A 54 -3.059 -4.476 7.894 1.00 73.15 H new ATOM 910 N VAL A 55 0.154 -4.864 7.106 1.00 25.31 N ATOM 911 CA VAL A 55 1.158 -5.807 6.566 1.00 31.13 C ATOM 912 C VAL A 55 2.072 -6.307 7.691 1.00 75.05 C ATOM 913 O VAL A 55 2.183 -5.675 8.756 1.00 64.20 O ATOM 914 CB VAL A 55 2.032 -5.163 5.415 1.00 44.21 C ATOM 915 CG1 VAL A 55 1.142 -4.615 4.271 1.00 65.33 C ATOM 916 CG2 VAL A 55 2.994 -4.077 5.956 1.00 61.11 C ATOM 0 H VAL A 55 0.519 -3.927 7.276 1.00 25.31 H new ATOM 0 HA VAL A 55 0.610 -6.644 6.133 1.00 31.13 H new ATOM 0 HB VAL A 55 2.652 -5.958 5.000 1.00 44.21 H new ATOM 0 HG11 VAL A 55 1.773 -4.179 3.496 1.00 65.33 H new ATOM 0 HG12 VAL A 55 0.554 -5.429 3.846 1.00 65.33 H new ATOM 0 HG13 VAL A 55 0.472 -3.851 4.665 1.00 65.33 H new ATOM 0 HG21 VAL A 55 3.574 -3.662 5.132 1.00 61.11 H new ATOM 0 HG22 VAL A 55 2.417 -3.283 6.430 1.00 61.11 H new ATOM 0 HG23 VAL A 55 3.669 -4.521 6.688 1.00 61.11 H new ATOM 926 N SER A 56 2.726 -7.444 7.438 1.00 72.45 N ATOM 927 CA SER A 56 3.773 -7.966 8.319 1.00 33.10 C ATOM 928 C SER A 56 5.028 -7.082 8.213 1.00 12.34 C ATOM 929 O SER A 56 5.222 -6.384 7.209 1.00 40.43 O ATOM 930 CB SER A 56 4.112 -9.423 7.939 1.00 43.34 C ATOM 931 OG SER A 56 5.129 -9.961 8.778 1.00 3.22 O ATOM 0 H SER A 56 2.545 -8.026 6.620 1.00 72.45 H new ATOM 0 HA SER A 56 3.413 -7.951 9.348 1.00 33.10 H new ATOM 0 HB2 SER A 56 3.215 -10.037 8.014 1.00 43.34 H new ATOM 0 HB3 SER A 56 4.439 -9.462 6.900 1.00 43.34 H new ATOM 0 HG SER A 56 4.720 -10.521 9.470 1.00 3.22 H new ATOM 937 N GLU A 57 5.889 -7.144 9.244 1.00 73.22 N ATOM 938 CA GLU A 57 7.168 -6.406 9.276 1.00 63.52 C ATOM 939 C GLU A 57 8.123 -6.912 8.169 1.00 62.43 C ATOM 940 O GLU A 57 8.974 -6.160 7.696 1.00 44.35 O ATOM 941 CB GLU A 57 7.821 -6.519 10.677 1.00 52.44 C ATOM 942 CG GLU A 57 8.141 -7.955 11.131 1.00 72.12 C ATOM 943 CD GLU A 57 8.698 -8.005 12.561 1.00 55.10 C ATOM 944 OE1 GLU A 57 7.892 -8.003 13.520 1.00 65.10 O ATOM 945 OE2 GLU A 57 9.936 -8.024 12.738 1.00 41.41 O ATOM 0 H GLU A 57 5.720 -7.706 10.078 1.00 73.22 H new ATOM 0 HA GLU A 57 6.966 -5.353 9.081 1.00 63.52 H new ATOM 0 HB2 GLU A 57 8.744 -5.939 10.679 1.00 52.44 H new ATOM 0 HB3 GLU A 57 7.156 -6.062 11.410 1.00 52.44 H new ATOM 0 HG2 GLU A 57 7.237 -8.561 11.074 1.00 72.12 H new ATOM 0 HG3 GLU A 57 8.865 -8.397 10.446 1.00 72.12 H new ATOM 952 N LYS A 58 7.947 -8.190 7.750 1.00 45.54 N ATOM 953 CA LYS A 58 8.726 -8.783 6.645 1.00 4.51 C ATOM 954 C LYS A 58 8.346 -8.120 5.299 1.00 54.45 C ATOM 955 O LYS A 58 9.207 -7.894 4.455 1.00 33.34 O ATOM 956 CB LYS A 58 8.525 -10.327 6.579 1.00 14.22 C ATOM 957 CG LYS A 58 7.103 -10.794 6.165 1.00 5.02 C ATOM 958 CD LYS A 58 6.968 -12.328 6.046 1.00 2.44 C ATOM 959 CE LYS A 58 7.093 -13.061 7.392 1.00 51.33 C ATOM 960 NZ LYS A 58 5.980 -12.718 8.316 1.00 11.53 N ATOM 0 H LYS A 58 7.268 -8.828 8.166 1.00 45.54 H new ATOM 0 HA LYS A 58 9.782 -8.595 6.836 1.00 4.51 H new ATOM 0 HB2 LYS A 58 9.245 -10.741 5.873 1.00 14.22 H new ATOM 0 HB3 LYS A 58 8.758 -10.749 7.556 1.00 14.22 H new ATOM 0 HG2 LYS A 58 6.382 -10.430 6.897 1.00 5.02 H new ATOM 0 HG3 LYS A 58 6.844 -10.339 5.209 1.00 5.02 H new ATOM 0 HD2 LYS A 58 6.002 -12.566 5.600 1.00 2.44 H new ATOM 0 HD3 LYS A 58 7.734 -12.701 5.366 1.00 2.44 H new ATOM 0 HE2 LYS A 58 7.103 -14.137 7.220 1.00 51.33 H new ATOM 0 HE3 LYS A 58 8.044 -12.804 7.858 1.00 51.33 H new ATOM 0 HZ1 LYS A 58 6.146 -13.165 9.240 1.00 11.53 H new ATOM 0 HZ2 LYS A 58 5.933 -11.686 8.434 1.00 11.53 H new ATOM 0 HZ3 LYS A 58 5.082 -13.063 7.921 1.00 11.53 H new ATOM 974 N LEU A 59 7.043 -7.790 5.138 1.00 55.35 N ATOM 975 CA LEU A 59 6.516 -7.129 3.928 1.00 13.25 C ATOM 976 C LEU A 59 6.832 -5.632 3.957 1.00 23.31 C ATOM 977 O LEU A 59 7.046 -5.028 2.909 1.00 53.23 O ATOM 978 CB LEU A 59 4.980 -7.337 3.783 1.00 33.01 C ATOM 979 CG LEU A 59 4.489 -8.799 3.551 1.00 52.13 C ATOM 980 CD1 LEU A 59 2.954 -8.839 3.401 1.00 41.51 C ATOM 981 CD2 LEU A 59 5.185 -9.437 2.328 1.00 51.53 C ATOM 0 H LEU A 59 6.331 -7.976 5.844 1.00 55.35 H new ATOM 0 HA LEU A 59 7.004 -7.587 3.068 1.00 13.25 H new ATOM 0 HB2 LEU A 59 4.499 -6.955 4.683 1.00 33.01 H new ATOM 0 HB3 LEU A 59 4.631 -6.725 2.951 1.00 33.01 H new ATOM 0 HG LEU A 59 4.761 -9.389 4.426 1.00 52.13 H new ATOM 0 HD11 LEU A 59 2.631 -9.867 3.240 1.00 41.51 H new ATOM 0 HD12 LEU A 59 2.490 -8.450 4.307 1.00 41.51 H new ATOM 0 HD13 LEU A 59 2.656 -8.227 2.550 1.00 41.51 H new ATOM 0 HD21 LEU A 59 4.821 -10.456 2.193 1.00 51.53 H new ATOM 0 HD22 LEU A 59 4.963 -8.851 1.436 1.00 51.53 H new ATOM 0 HD23 LEU A 59 6.263 -9.455 2.491 1.00 51.53 H new ATOM 993 N LEU A 60 6.853 -5.039 5.174 1.00 40.33 N ATOM 994 CA LEU A 60 7.198 -3.621 5.348 1.00 40.34 C ATOM 995 C LEU A 60 8.624 -3.392 4.862 1.00 11.32 C ATOM 996 O LEU A 60 8.827 -2.686 3.886 1.00 50.11 O ATOM 997 CB LEU A 60 7.003 -3.148 6.826 1.00 13.20 C ATOM 998 CG LEU A 60 7.158 -1.593 7.112 1.00 11.04 C ATOM 999 CD1 LEU A 60 6.461 -1.194 8.422 1.00 51.05 C ATOM 1000 CD2 LEU A 60 8.632 -1.111 7.157 1.00 21.12 C ATOM 0 H LEU A 60 6.635 -5.525 6.044 1.00 40.33 H new ATOM 0 HA LEU A 60 6.517 -3.016 4.749 1.00 40.34 H new ATOM 0 HB2 LEU A 60 6.009 -3.455 7.152 1.00 13.20 H new ATOM 0 HB3 LEU A 60 7.721 -3.680 7.450 1.00 13.20 H new ATOM 0 HG LEU A 60 6.677 -1.101 6.267 1.00 11.04 H new ATOM 0 HD11 LEU A 60 6.585 -0.124 8.589 1.00 51.05 H new ATOM 0 HD12 LEU A 60 5.399 -1.430 8.356 1.00 51.05 H new ATOM 0 HD13 LEU A 60 6.904 -1.745 9.252 1.00 51.05 H new ATOM 0 HD21 LEU A 60 8.659 -0.040 7.356 1.00 21.12 H new ATOM 0 HD22 LEU A 60 9.164 -1.641 7.947 1.00 21.12 H new ATOM 0 HD23 LEU A 60 9.110 -1.314 6.199 1.00 21.12 H new ATOM 1012 N GLN A 61 9.587 -4.055 5.526 1.00 52.53 N ATOM 1013 CA GLN A 61 11.025 -3.859 5.278 1.00 55.54 C ATOM 1014 C GLN A 61 11.415 -4.241 3.839 1.00 74.10 C ATOM 1015 O GLN A 61 12.328 -3.652 3.268 1.00 30.41 O ATOM 1016 CB GLN A 61 11.849 -4.666 6.315 1.00 45.31 C ATOM 1017 CG GLN A 61 11.617 -4.249 7.794 1.00 75.12 C ATOM 1018 CD GLN A 61 12.188 -2.867 8.174 1.00 71.33 C ATOM 1019 OE1 GLN A 61 12.272 -1.953 7.351 1.00 72.50 O ATOM 1020 NE2 GLN A 61 12.581 -2.702 9.432 1.00 63.34 N ATOM 0 H GLN A 61 9.389 -4.744 6.252 1.00 52.53 H new ATOM 0 HA GLN A 61 11.251 -2.799 5.393 1.00 55.54 H new ATOM 0 HB2 GLN A 61 11.607 -5.723 6.208 1.00 45.31 H new ATOM 0 HB3 GLN A 61 12.908 -4.556 6.082 1.00 45.31 H new ATOM 0 HG2 GLN A 61 10.545 -4.251 7.993 1.00 75.12 H new ATOM 0 HG3 GLN A 61 12.064 -5.002 8.443 1.00 75.12 H new ATOM 0 HE21 GLN A 61 12.502 -3.472 10.096 1.00 63.34 H new ATOM 0 HE22 GLN A 61 12.961 -1.805 9.734 1.00 63.34 H new ATOM 1029 N LYS A 62 10.696 -5.211 3.258 1.00 62.12 N ATOM 1030 CA LYS A 62 10.961 -5.686 1.895 1.00 3.31 C ATOM 1031 C LYS A 62 10.521 -4.639 0.857 1.00 74.21 C ATOM 1032 O LYS A 62 11.331 -4.201 0.060 1.00 5.53 O ATOM 1033 CB LYS A 62 10.268 -7.036 1.655 1.00 35.02 C ATOM 1034 CG LYS A 62 10.671 -7.742 0.345 1.00 53.32 C ATOM 1035 CD LYS A 62 9.981 -9.112 0.196 1.00 73.24 C ATOM 1036 CE LYS A 62 8.448 -8.996 0.153 1.00 24.10 C ATOM 1037 NZ LYS A 62 7.801 -10.324 0.018 1.00 43.32 N ATOM 0 H LYS A 62 9.919 -5.686 3.717 1.00 62.12 H new ATOM 0 HA LYS A 62 12.035 -5.833 1.780 1.00 3.31 H new ATOM 0 HB2 LYS A 62 10.491 -7.698 2.492 1.00 35.02 H new ATOM 0 HB3 LYS A 62 9.189 -6.880 1.651 1.00 35.02 H new ATOM 0 HG2 LYS A 62 10.410 -7.110 -0.504 1.00 53.32 H new ATOM 0 HG3 LYS A 62 11.753 -7.876 0.322 1.00 53.32 H new ATOM 0 HD2 LYS A 62 10.332 -9.595 -0.716 1.00 73.24 H new ATOM 0 HD3 LYS A 62 10.271 -9.754 1.028 1.00 73.24 H new ATOM 0 HE2 LYS A 62 8.094 -8.510 1.062 1.00 24.10 H new ATOM 0 HE3 LYS A 62 8.154 -8.361 -0.683 1.00 24.10 H new ATOM 0 HZ1 LYS A 62 6.772 -10.222 0.128 1.00 43.32 H new ATOM 0 HZ2 LYS A 62 8.011 -10.719 -0.921 1.00 43.32 H new ATOM 0 HZ3 LYS A 62 8.166 -10.964 0.752 1.00 43.32 H new ATOM 1051 N ILE A 63 9.242 -4.210 0.909 1.00 23.52 N ATOM 1052 CA ILE A 63 8.696 -3.185 -0.019 1.00 1.01 C ATOM 1053 C ILE A 63 9.443 -1.824 0.180 1.00 13.23 C ATOM 1054 O ILE A 63 9.734 -1.120 -0.789 1.00 41.12 O ATOM 1055 CB ILE A 63 7.106 -3.037 0.132 1.00 4.51 C ATOM 1056 CG1 ILE A 63 6.325 -4.179 -0.629 1.00 34.43 C ATOM 1057 CG2 ILE A 63 6.586 -1.650 -0.334 1.00 22.44 C ATOM 1058 CD1 ILE A 63 6.583 -5.607 -0.163 1.00 43.53 C ATOM 0 H ILE A 63 8.562 -4.557 1.586 1.00 23.52 H new ATOM 0 HA ILE A 63 8.874 -3.515 -1.043 1.00 1.01 H new ATOM 0 HB ILE A 63 6.909 -3.132 1.200 1.00 4.51 H new ATOM 0 HG12 ILE A 63 5.257 -3.979 -0.541 1.00 34.43 H new ATOM 0 HG13 ILE A 63 6.575 -4.116 -1.688 1.00 34.43 H new ATOM 0 HG21 ILE A 63 5.504 -1.606 -0.209 1.00 22.44 H new ATOM 0 HG22 ILE A 63 7.052 -0.867 0.264 1.00 22.44 H new ATOM 0 HG23 ILE A 63 6.836 -1.502 -1.384 1.00 22.44 H new ATOM 0 HD11 ILE A 63 5.990 -6.298 -0.762 1.00 43.53 H new ATOM 0 HD12 ILE A 63 7.641 -5.842 -0.279 1.00 43.53 H new ATOM 0 HD13 ILE A 63 6.303 -5.704 0.886 1.00 43.53 H new ATOM 1070 N LYS A 64 9.811 -1.529 1.442 1.00 23.34 N ATOM 1071 CA LYS A 64 10.497 -0.279 1.843 1.00 24.44 C ATOM 1072 C LYS A 64 11.884 -0.179 1.165 1.00 13.11 C ATOM 1073 O LYS A 64 12.201 0.830 0.529 1.00 70.23 O ATOM 1074 CB LYS A 64 10.605 -0.244 3.407 1.00 22.10 C ATOM 1075 CG LYS A 64 11.017 1.102 4.064 1.00 53.41 C ATOM 1076 CD LYS A 64 12.545 1.306 4.188 1.00 61.52 C ATOM 1077 CE LYS A 64 12.896 2.635 4.871 1.00 43.21 C ATOM 1078 NZ LYS A 64 14.365 2.844 4.989 1.00 60.11 N ATOM 0 H LYS A 64 9.639 -2.160 2.225 1.00 23.34 H new ATOM 0 HA LYS A 64 9.923 0.587 1.513 1.00 24.44 H new ATOM 0 HB2 LYS A 64 9.639 -0.538 3.818 1.00 22.10 H new ATOM 0 HB3 LYS A 64 11.326 -1.003 3.712 1.00 22.10 H new ATOM 0 HG2 LYS A 64 10.599 1.922 3.480 1.00 53.41 H new ATOM 0 HG3 LYS A 64 10.572 1.159 5.058 1.00 53.41 H new ATOM 0 HD2 LYS A 64 12.975 0.482 4.757 1.00 61.52 H new ATOM 0 HD3 LYS A 64 12.996 1.278 3.196 1.00 61.52 H new ATOM 0 HE2 LYS A 64 12.459 3.458 4.304 1.00 43.21 H new ATOM 0 HE3 LYS A 64 12.448 2.659 5.864 1.00 43.21 H new ATOM 0 HZ1 LYS A 64 14.550 3.754 5.456 1.00 60.11 H new ATOM 0 HZ2 LYS A 64 14.781 2.075 5.552 1.00 60.11 H new ATOM 0 HZ3 LYS A 64 14.792 2.849 4.041 1.00 60.11 H new ATOM 1092 N GLN A 65 12.681 -1.256 1.295 1.00 10.45 N ATOM 1093 CA GLN A 65 14.075 -1.296 0.801 1.00 64.13 C ATOM 1094 C GLN A 65 14.144 -1.569 -0.719 1.00 42.31 C ATOM 1095 O GLN A 65 14.931 -0.927 -1.426 1.00 74.30 O ATOM 1096 CB GLN A 65 14.893 -2.350 1.598 1.00 35.13 C ATOM 1097 CG GLN A 65 14.994 -2.050 3.116 1.00 53.15 C ATOM 1098 CD GLN A 65 15.728 -3.131 3.923 1.00 13.42 C ATOM 1099 OE1 GLN A 65 16.641 -3.794 3.422 1.00 64.12 O ATOM 1100 NE2 GLN A 65 15.315 -3.339 5.169 1.00 12.22 N ATOM 0 H GLN A 65 12.380 -2.121 1.743 1.00 10.45 H new ATOM 0 HA GLN A 65 14.516 -0.313 0.963 1.00 64.13 H new ATOM 0 HB2 GLN A 65 14.436 -3.330 1.461 1.00 35.13 H new ATOM 0 HB3 GLN A 65 15.899 -2.406 1.181 1.00 35.13 H new ATOM 0 HG2 GLN A 65 15.507 -1.098 3.254 1.00 53.15 H new ATOM 0 HG3 GLN A 65 13.988 -1.931 3.519 1.00 53.15 H new ATOM 0 HE21 GLN A 65 14.558 -2.775 5.556 1.00 12.22 H new ATOM 0 HE22 GLN A 65 15.755 -4.062 5.738 1.00 12.22 H new ATOM 1109 N GLU A 66 13.308 -2.501 -1.217 1.00 50.12 N ATOM 1110 CA GLU A 66 13.332 -2.922 -2.640 1.00 15.12 C ATOM 1111 C GLU A 66 12.761 -1.833 -3.559 1.00 71.51 C ATOM 1112 O GLU A 66 13.407 -1.446 -4.541 1.00 61.22 O ATOM 1113 CB GLU A 66 12.567 -4.258 -2.854 1.00 71.25 C ATOM 1114 CG GLU A 66 13.197 -5.483 -2.163 1.00 73.00 C ATOM 1115 CD GLU A 66 14.640 -5.766 -2.622 1.00 32.11 C ATOM 1116 OE1 GLU A 66 14.839 -6.122 -3.810 1.00 42.33 O ATOM 1117 OE2 GLU A 66 15.583 -5.638 -1.812 1.00 21.22 O ATOM 0 H GLU A 66 12.604 -2.981 -0.656 1.00 50.12 H new ATOM 0 HA GLU A 66 14.378 -3.081 -2.904 1.00 15.12 H new ATOM 0 HB2 GLU A 66 11.547 -4.138 -2.490 1.00 71.25 H new ATOM 0 HB3 GLU A 66 12.502 -4.456 -3.924 1.00 71.25 H new ATOM 0 HG2 GLU A 66 13.190 -5.326 -1.084 1.00 73.00 H new ATOM 0 HG3 GLU A 66 12.581 -6.360 -2.362 1.00 73.00 H new ATOM 1124 N ALA A 67 11.548 -1.341 -3.240 1.00 34.33 N ATOM 1125 CA ALA A 67 10.903 -0.282 -4.039 1.00 31.31 C ATOM 1126 C ALA A 67 11.560 1.090 -3.763 1.00 20.42 C ATOM 1127 O ALA A 67 11.480 1.991 -4.610 1.00 30.53 O ATOM 1128 CB ALA A 67 9.394 -0.250 -3.777 1.00 33.34 C ATOM 0 H ALA A 67 10.999 -1.657 -2.441 1.00 34.33 H new ATOM 0 HA ALA A 67 11.049 -0.508 -5.095 1.00 31.31 H new ATOM 0 HB1 ALA A 67 8.937 0.538 -4.376 1.00 33.34 H new ATOM 0 HB2 ALA A 67 8.957 -1.211 -4.048 1.00 33.34 H new ATOM 0 HB3 ALA A 67 9.212 -0.054 -2.720 1.00 33.34 H new ATOM 1134 N ASN A 68 12.219 1.214 -2.579 1.00 4.43 N ATOM 1135 CA ASN A 68 12.967 2.429 -2.157 1.00 73.11 C ATOM 1136 C ASN A 68 11.999 3.630 -2.070 1.00 15.35 C ATOM 1137 O ASN A 68 12.200 4.689 -2.672 1.00 23.03 O ATOM 1138 CB ASN A 68 14.202 2.676 -3.090 1.00 1.35 C ATOM 1139 CG ASN A 68 15.144 3.809 -2.628 1.00 63.11 C ATOM 1140 OD1 ASN A 68 16.041 3.599 -1.810 1.00 62.03 O ATOM 1141 ND2 ASN A 68 14.970 5.010 -3.171 1.00 65.43 N ATOM 0 H ASN A 68 12.246 0.467 -1.885 1.00 4.43 H new ATOM 0 HA ASN A 68 13.381 2.285 -1.159 1.00 73.11 H new ATOM 0 HB2 ASN A 68 14.776 1.752 -3.163 1.00 1.35 H new ATOM 0 HB3 ASN A 68 13.842 2.907 -4.093 1.00 1.35 H new ATOM 0 HD21 ASN A 68 15.586 5.781 -2.912 1.00 65.43 H new ATOM 0 HD22 ASN A 68 14.221 5.161 -3.846 1.00 65.43 H new ATOM 1148 N VAL A 69 10.922 3.419 -1.299 1.00 3.53 N ATOM 1149 CA VAL A 69 9.772 4.347 -1.212 1.00 32.13 C ATOM 1150 C VAL A 69 9.511 4.769 0.237 1.00 62.14 C ATOM 1151 O VAL A 69 9.895 4.061 1.184 1.00 11.44 O ATOM 1152 CB VAL A 69 8.468 3.695 -1.809 1.00 64.42 C ATOM 1153 CG1 VAL A 69 8.604 3.489 -3.331 1.00 73.11 C ATOM 1154 CG2 VAL A 69 8.122 2.359 -1.098 1.00 4.40 C ATOM 0 H VAL A 69 10.819 2.592 -0.710 1.00 3.53 H new ATOM 0 HA VAL A 69 10.027 5.230 -1.798 1.00 32.13 H new ATOM 0 HB VAL A 69 7.644 4.385 -1.630 1.00 64.42 H new ATOM 0 HG11 VAL A 69 7.691 3.038 -3.720 1.00 73.11 H new ATOM 0 HG12 VAL A 69 8.768 4.452 -3.815 1.00 73.11 H new ATOM 0 HG13 VAL A 69 9.449 2.832 -3.535 1.00 73.11 H new ATOM 0 HG21 VAL A 69 7.217 1.938 -1.536 1.00 4.40 H new ATOM 0 HG22 VAL A 69 8.946 1.657 -1.222 1.00 4.40 H new ATOM 0 HG23 VAL A 69 7.960 2.543 -0.036 1.00 4.40 H new ATOM 1164 N GLN A 70 8.877 5.937 0.390 1.00 55.23 N ATOM 1165 CA GLN A 70 8.395 6.423 1.675 1.00 41.43 C ATOM 1166 C GLN A 70 7.123 5.642 2.041 1.00 14.41 C ATOM 1167 O GLN A 70 6.078 5.797 1.399 1.00 2.22 O ATOM 1168 CB GLN A 70 8.113 7.954 1.609 1.00 31.02 C ATOM 1169 CG GLN A 70 9.375 8.857 1.588 1.00 12.33 C ATOM 1170 CD GLN A 70 10.273 8.703 0.344 1.00 54.32 C ATOM 1171 OE1 GLN A 70 9.804 8.408 -0.754 1.00 2.03 O ATOM 1172 NE2 GLN A 70 11.573 8.930 0.497 1.00 74.50 N ATOM 0 H GLN A 70 8.686 6.572 -0.385 1.00 55.23 H new ATOM 0 HA GLN A 70 9.153 6.266 2.443 1.00 41.43 H new ATOM 0 HB2 GLN A 70 7.523 8.161 0.716 1.00 31.02 H new ATOM 0 HB3 GLN A 70 7.501 8.232 2.467 1.00 31.02 H new ATOM 0 HG2 GLN A 70 9.059 9.898 1.661 1.00 12.33 H new ATOM 0 HG3 GLN A 70 9.971 8.642 2.475 1.00 12.33 H new ATOM 0 HE21 GLN A 70 11.944 9.174 1.416 1.00 74.50 H new ATOM 0 HE22 GLN A 70 12.201 8.861 -0.304 1.00 74.50 H new ATOM 1181 N VAL A 71 7.233 4.815 3.084 1.00 31.30 N ATOM 1182 CA VAL A 71 6.177 3.887 3.509 1.00 72.44 C ATOM 1183 C VAL A 71 5.353 4.510 4.638 1.00 11.53 C ATOM 1184 O VAL A 71 5.904 5.117 5.557 1.00 71.25 O ATOM 1185 CB VAL A 71 6.797 2.510 3.972 1.00 3.31 C ATOM 1186 CG1 VAL A 71 5.763 1.604 4.688 1.00 41.50 C ATOM 1187 CG2 VAL A 71 7.431 1.777 2.767 1.00 4.53 C ATOM 0 H VAL A 71 8.069 4.769 3.666 1.00 31.30 H new ATOM 0 HA VAL A 71 5.521 3.696 2.660 1.00 72.44 H new ATOM 0 HB VAL A 71 7.574 2.733 4.703 1.00 3.31 H new ATOM 0 HG11 VAL A 71 6.241 0.671 4.985 1.00 41.50 H new ATOM 0 HG12 VAL A 71 5.383 2.115 5.573 1.00 41.50 H new ATOM 0 HG13 VAL A 71 4.937 1.389 4.010 1.00 41.50 H new ATOM 0 HG21 VAL A 71 7.855 0.829 3.099 1.00 4.53 H new ATOM 0 HG22 VAL A 71 6.667 1.588 2.013 1.00 4.53 H new ATOM 0 HG23 VAL A 71 8.219 2.396 2.338 1.00 4.53 H new ATOM 1197 N TYR A 72 4.024 4.388 4.522 1.00 32.41 N ATOM 1198 CA TYR A 72 3.072 4.748 5.576 1.00 63.23 C ATOM 1199 C TYR A 72 2.305 3.475 5.959 1.00 64.33 C ATOM 1200 O TYR A 72 1.395 3.075 5.231 1.00 71.23 O ATOM 1201 CB TYR A 72 2.084 5.828 5.039 1.00 21.32 C ATOM 1202 CG TYR A 72 2.723 7.183 4.685 1.00 4.42 C ATOM 1203 CD1 TYR A 72 3.453 7.369 3.497 1.00 11.33 C ATOM 1204 CD2 TYR A 72 2.574 8.288 5.526 1.00 1.12 C ATOM 1205 CE1 TYR A 72 4.015 8.599 3.182 1.00 3.31 C ATOM 1206 CE2 TYR A 72 3.125 9.513 5.209 1.00 65.32 C ATOM 1207 CZ TYR A 72 3.838 9.667 4.040 1.00 53.22 C ATOM 1208 OH TYR A 72 4.373 10.903 3.724 1.00 34.50 O ATOM 0 H TYR A 72 3.575 4.030 3.679 1.00 32.41 H new ATOM 0 HA TYR A 72 3.588 5.156 6.445 1.00 63.23 H new ATOM 0 HB2 TYR A 72 1.589 5.435 4.151 1.00 21.32 H new ATOM 0 HB3 TYR A 72 1.310 5.994 5.788 1.00 21.32 H new ATOM 0 HD1 TYR A 72 3.579 6.539 2.817 1.00 11.33 H new ATOM 0 HD2 TYR A 72 2.016 8.182 6.444 1.00 1.12 H new ATOM 0 HE1 TYR A 72 4.586 8.720 2.273 1.00 3.31 H new ATOM 0 HE2 TYR A 72 2.997 10.351 5.878 1.00 65.32 H new ATOM 0 HH TYR A 72 4.156 11.544 4.433 1.00 34.50 H new ATOM 1218 N ARG A 73 2.675 2.814 7.074 1.00 11.13 N ATOM 1219 CA ARG A 73 1.959 1.603 7.506 1.00 40.13 C ATOM 1220 C ARG A 73 0.748 2.001 8.350 1.00 11.44 C ATOM 1221 O ARG A 73 0.878 2.676 9.377 1.00 22.31 O ATOM 1222 CB ARG A 73 2.831 0.568 8.268 1.00 31.21 C ATOM 1223 CG ARG A 73 2.008 -0.679 8.729 1.00 61.21 C ATOM 1224 CD ARG A 73 2.845 -1.929 9.004 1.00 25.12 C ATOM 1225 NE ARG A 73 3.749 -1.781 10.147 1.00 50.31 N ATOM 1226 CZ ARG A 73 4.269 -2.795 10.860 1.00 53.53 C ATOM 1227 NH1 ARG A 73 3.968 -4.068 10.575 1.00 24.31 N ATOM 1228 NH2 ARG A 73 5.104 -2.518 11.850 1.00 41.24 N ATOM 0 H ARG A 73 3.448 3.092 7.678 1.00 11.13 H new ATOM 0 HA ARG A 73 1.647 1.095 6.593 1.00 40.13 H new ATOM 0 HB2 ARG A 73 3.649 0.243 7.625 1.00 31.21 H new ATOM 0 HB3 ARG A 73 3.280 1.046 9.139 1.00 31.21 H new ATOM 0 HG2 ARG A 73 1.458 -0.420 9.634 1.00 61.21 H new ATOM 0 HG3 ARG A 73 1.269 -0.914 7.963 1.00 61.21 H new ATOM 0 HD2 ARG A 73 2.178 -2.772 9.184 1.00 25.12 H new ATOM 0 HD3 ARG A 73 3.430 -2.169 8.116 1.00 25.12 H new ATOM 0 HE ARG A 73 4.004 -0.833 10.424 1.00 50.31 H new ATOM 0 HH11 ARG A 73 3.334 -4.282 9.805 1.00 24.31 H new ATOM 0 HH12 ARG A 73 4.373 -4.824 11.128 1.00 24.31 H new ATOM 0 HH21 ARG A 73 5.342 -1.549 12.060 1.00 41.24 H new ATOM 0 HH22 ARG A 73 5.509 -3.274 12.402 1.00 41.24 H new ATOM 1242 N VAL A 74 -0.420 1.575 7.881 1.00 31.24 N ATOM 1243 CA VAL A 74 -1.702 1.839 8.518 1.00 71.13 C ATOM 1244 C VAL A 74 -2.092 0.653 9.413 1.00 25.44 C ATOM 1245 O VAL A 74 -2.069 -0.503 8.977 1.00 0.24 O ATOM 1246 CB VAL A 74 -2.767 2.093 7.397 1.00 64.32 C ATOM 1247 CG1 VAL A 74 -4.214 1.998 7.912 1.00 73.44 C ATOM 1248 CG2 VAL A 74 -2.498 3.454 6.713 1.00 1.11 C ATOM 0 H VAL A 74 -0.502 1.024 7.027 1.00 31.24 H new ATOM 0 HA VAL A 74 -1.643 2.722 9.154 1.00 71.13 H new ATOM 0 HB VAL A 74 -2.662 1.297 6.660 1.00 64.32 H new ATOM 0 HG11 VAL A 74 -4.906 2.183 7.090 1.00 73.44 H new ATOM 0 HG12 VAL A 74 -4.391 1.002 8.318 1.00 73.44 H new ATOM 0 HG13 VAL A 74 -4.372 2.741 8.693 1.00 73.44 H new ATOM 0 HG21 VAL A 74 -3.242 3.624 5.935 1.00 1.11 H new ATOM 0 HG22 VAL A 74 -2.559 4.252 7.453 1.00 1.11 H new ATOM 0 HG23 VAL A 74 -1.503 3.447 6.268 1.00 1.11 H new ATOM 1258 N THR A 75 -2.430 0.967 10.669 1.00 74.20 N ATOM 1259 CA THR A 75 -2.908 -0.009 11.662 1.00 40.05 C ATOM 1260 C THR A 75 -4.425 0.155 11.907 1.00 2.52 C ATOM 1261 O THR A 75 -5.086 -0.764 12.407 1.00 62.33 O ATOM 1262 CB THR A 75 -2.128 0.185 13.000 1.00 45.35 C ATOM 1263 OG1 THR A 75 -2.299 1.542 13.449 1.00 41.21 O ATOM 1264 CG2 THR A 75 -0.620 -0.109 12.841 1.00 73.51 C ATOM 0 H THR A 75 -2.379 1.919 11.032 1.00 74.20 H new ATOM 0 HA THR A 75 -2.731 -1.014 11.278 1.00 40.05 H new ATOM 0 HB THR A 75 -2.530 -0.520 13.728 1.00 45.35 H new ATOM 0 HG1 THR A 75 -1.813 1.672 14.290 1.00 41.21 H new ATOM 0 HG21 THR A 75 -0.118 0.039 13.797 1.00 73.51 H new ATOM 0 HG22 THR A 75 -0.483 -1.140 12.515 1.00 73.51 H new ATOM 0 HG23 THR A 75 -0.194 0.566 12.099 1.00 73.51 H new ATOM 1272 N SER A 76 -4.961 1.333 11.548 1.00 42.33 N ATOM 1273 CA SER A 76 -6.379 1.681 11.757 1.00 4.12 C ATOM 1274 C SER A 76 -6.890 2.561 10.608 1.00 52.31 C ATOM 1275 O SER A 76 -6.093 3.238 9.952 1.00 4.40 O ATOM 1276 CB SER A 76 -6.544 2.412 13.110 1.00 24.11 C ATOM 1277 OG SER A 76 -5.770 3.602 13.158 1.00 34.05 O ATOM 0 H SER A 76 -4.422 2.075 11.102 1.00 42.33 H new ATOM 0 HA SER A 76 -6.969 0.765 11.775 1.00 4.12 H new ATOM 0 HB2 SER A 76 -7.595 2.654 13.268 1.00 24.11 H new ATOM 0 HB3 SER A 76 -6.244 1.749 13.922 1.00 24.11 H new ATOM 0 HG SER A 76 -5.898 4.041 14.025 1.00 34.05 H new ATOM 1283 N ASN A 77 -8.227 2.571 10.400 1.00 22.52 N ATOM 1284 CA ASN A 77 -8.891 3.410 9.365 1.00 45.11 C ATOM 1285 C ASN A 77 -8.511 4.897 9.539 1.00 14.32 C ATOM 1286 O ASN A 77 -8.378 5.628 8.555 1.00 63.35 O ATOM 1287 CB ASN A 77 -10.442 3.249 9.420 1.00 54.04 C ATOM 1288 CG ASN A 77 -10.940 1.821 9.143 1.00 53.04 C ATOM 1289 OD1 ASN A 77 -10.246 0.833 9.402 1.00 0.30 O ATOM 1290 ND2 ASN A 77 -12.158 1.700 8.637 1.00 72.44 N ATOM 0 H ASN A 77 -8.877 2.001 10.941 1.00 22.52 H new ATOM 0 HA ASN A 77 -8.542 3.068 8.391 1.00 45.11 H new ATOM 0 HB2 ASN A 77 -10.793 3.559 10.404 1.00 54.04 H new ATOM 0 HB3 ASN A 77 -10.892 3.926 8.693 1.00 54.04 H new ATOM 0 HD21 ASN A 77 -12.544 0.774 8.452 1.00 72.44 H new ATOM 0 HD22 ASN A 77 -12.710 2.533 8.432 1.00 72.44 H new ATOM 1297 N ASP A 78 -8.295 5.292 10.813 1.00 22.25 N ATOM 1298 CA ASP A 78 -7.866 6.644 11.214 1.00 63.43 C ATOM 1299 C ASP A 78 -6.561 7.046 10.512 1.00 50.40 C ATOM 1300 O ASP A 78 -6.450 8.167 10.002 1.00 33.25 O ATOM 1301 CB ASP A 78 -7.681 6.714 12.757 1.00 41.33 C ATOM 1302 CG ASP A 78 -8.968 6.370 13.525 1.00 61.34 C ATOM 1303 OD1 ASP A 78 -9.800 7.277 13.758 1.00 41.31 O ATOM 1304 OD2 ASP A 78 -9.167 5.187 13.882 1.00 54.11 O ATOM 0 H ASP A 78 -8.418 4.663 11.607 1.00 22.25 H new ATOM 0 HA ASP A 78 -8.644 7.345 10.912 1.00 63.43 H new ATOM 0 HB2 ASP A 78 -6.890 6.026 13.056 1.00 41.33 H new ATOM 0 HB3 ASP A 78 -7.354 7.716 13.035 1.00 41.33 H new ATOM 1309 N GLU A 79 -5.591 6.108 10.484 1.00 13.23 N ATOM 1310 CA GLU A 79 -4.288 6.312 9.822 1.00 14.43 C ATOM 1311 C GLU A 79 -4.483 6.535 8.315 1.00 5.54 C ATOM 1312 O GLU A 79 -4.021 7.534 7.766 1.00 50.11 O ATOM 1313 CB GLU A 79 -3.351 5.092 10.055 1.00 21.52 C ATOM 1314 CG GLU A 79 -3.108 4.725 11.530 1.00 43.10 C ATOM 1315 CD GLU A 79 -2.485 5.869 12.347 1.00 22.41 C ATOM 1316 OE1 GLU A 79 -1.260 6.085 12.239 1.00 13.13 O ATOM 1317 OE2 GLU A 79 -3.213 6.564 13.090 1.00 25.15 O ATOM 0 H GLU A 79 -5.690 5.191 10.919 1.00 13.23 H new ATOM 0 HA GLU A 79 -3.824 7.197 10.258 1.00 14.43 H new ATOM 0 HB2 GLU A 79 -3.775 4.226 9.547 1.00 21.52 H new ATOM 0 HB3 GLU A 79 -2.389 5.298 9.585 1.00 21.52 H new ATOM 0 HG2 GLU A 79 -4.055 4.436 11.986 1.00 43.10 H new ATOM 0 HG3 GLU A 79 -2.453 3.855 11.578 1.00 43.10 H new ATOM 1324 N LEU A 80 -5.246 5.613 7.700 1.00 43.32 N ATOM 1325 CA LEU A 80 -5.449 5.529 6.240 1.00 41.25 C ATOM 1326 C LEU A 80 -6.030 6.841 5.685 1.00 22.30 C ATOM 1327 O LEU A 80 -5.477 7.422 4.740 1.00 43.13 O ATOM 1328 CB LEU A 80 -6.378 4.305 5.945 1.00 54.11 C ATOM 1329 CG LEU A 80 -6.613 3.888 4.451 1.00 73.22 C ATOM 1330 CD1 LEU A 80 -7.730 4.699 3.775 1.00 30.35 C ATOM 1331 CD2 LEU A 80 -5.298 3.947 3.632 1.00 53.52 C ATOM 0 H LEU A 80 -5.750 4.890 8.214 1.00 43.32 H new ATOM 0 HA LEU A 80 -4.493 5.383 5.736 1.00 41.25 H new ATOM 0 HB2 LEU A 80 -5.967 3.442 6.469 1.00 54.11 H new ATOM 0 HB3 LEU A 80 -7.352 4.513 6.388 1.00 54.11 H new ATOM 0 HG LEU A 80 -6.951 2.852 4.471 1.00 73.22 H new ATOM 0 HD11 LEU A 80 -7.848 4.367 2.744 1.00 30.35 H new ATOM 0 HD12 LEU A 80 -8.666 4.549 4.313 1.00 30.35 H new ATOM 0 HD13 LEU A 80 -7.470 5.757 3.788 1.00 30.35 H new ATOM 0 HD21 LEU A 80 -5.497 3.652 2.602 1.00 53.52 H new ATOM 0 HD22 LEU A 80 -4.904 4.963 3.649 1.00 53.52 H new ATOM 0 HD23 LEU A 80 -4.566 3.267 4.069 1.00 53.52 H new ATOM 1343 N GLU A 81 -7.129 7.288 6.315 1.00 53.14 N ATOM 1344 CA GLU A 81 -7.868 8.492 5.915 1.00 61.15 C ATOM 1345 C GLU A 81 -6.954 9.728 5.969 1.00 75.25 C ATOM 1346 O GLU A 81 -6.883 10.476 4.996 1.00 52.24 O ATOM 1347 CB GLU A 81 -9.116 8.658 6.821 1.00 43.31 C ATOM 1348 CG GLU A 81 -10.158 7.528 6.644 1.00 51.21 C ATOM 1349 CD GLU A 81 -11.269 7.539 7.709 1.00 52.42 C ATOM 1350 OE1 GLU A 81 -12.131 8.443 7.680 1.00 41.32 O ATOM 1351 OE2 GLU A 81 -11.300 6.639 8.580 1.00 12.54 O ATOM 0 H GLU A 81 -7.532 6.817 7.125 1.00 53.14 H new ATOM 0 HA GLU A 81 -8.207 8.387 4.884 1.00 61.15 H new ATOM 0 HB2 GLU A 81 -8.798 8.689 7.863 1.00 43.31 H new ATOM 0 HB3 GLU A 81 -9.589 9.616 6.604 1.00 43.31 H new ATOM 0 HG2 GLU A 81 -10.612 7.616 5.657 1.00 51.21 H new ATOM 0 HG3 GLU A 81 -9.647 6.566 6.675 1.00 51.21 H new ATOM 1358 N GLN A 82 -6.202 9.867 7.083 1.00 61.13 N ATOM 1359 CA GLN A 82 -5.316 11.026 7.323 1.00 61.23 C ATOM 1360 C GLN A 82 -4.131 11.069 6.335 1.00 21.24 C ATOM 1361 O GLN A 82 -3.686 12.162 5.964 1.00 15.44 O ATOM 1362 CB GLN A 82 -4.802 11.039 8.790 1.00 11.13 C ATOM 1363 CG GLN A 82 -5.893 11.297 9.856 1.00 60.21 C ATOM 1364 CD GLN A 82 -6.554 12.685 9.766 1.00 23.12 C ATOM 1365 OE1 GLN A 82 -5.934 13.667 9.350 1.00 61.23 O ATOM 1366 NE2 GLN A 82 -7.816 12.782 10.164 1.00 2.42 N ATOM 0 H GLN A 82 -6.192 9.181 7.838 1.00 61.13 H new ATOM 0 HA GLN A 82 -5.914 11.922 7.154 1.00 61.23 H new ATOM 0 HB2 GLN A 82 -4.326 10.082 9.002 1.00 11.13 H new ATOM 0 HB3 GLN A 82 -4.033 11.806 8.884 1.00 11.13 H new ATOM 0 HG2 GLN A 82 -6.665 10.533 9.761 1.00 60.21 H new ATOM 0 HG3 GLN A 82 -5.451 11.182 10.846 1.00 60.21 H new ATOM 0 HE21 GLN A 82 -8.308 11.956 10.504 1.00 2.42 H new ATOM 0 HE22 GLN A 82 -8.294 13.683 10.130 1.00 2.42 H new ATOM 1375 N VAL A 83 -3.628 9.882 5.916 1.00 4.32 N ATOM 1376 CA VAL A 83 -2.522 9.788 4.931 1.00 2.25 C ATOM 1377 C VAL A 83 -2.973 10.335 3.565 1.00 54.50 C ATOM 1378 O VAL A 83 -2.226 11.062 2.902 1.00 22.03 O ATOM 1379 CB VAL A 83 -1.958 8.316 4.769 1.00 53.31 C ATOM 1380 CG1 VAL A 83 -0.880 8.235 3.652 1.00 43.32 C ATOM 1381 CG2 VAL A 83 -1.374 7.783 6.100 1.00 71.40 C ATOM 0 H VAL A 83 -3.970 8.979 6.244 1.00 4.32 H new ATOM 0 HA VAL A 83 -1.707 10.398 5.321 1.00 2.25 H new ATOM 0 HB VAL A 83 -2.801 7.688 4.482 1.00 53.31 H new ATOM 0 HG11 VAL A 83 -0.517 7.211 3.570 1.00 43.32 H new ATOM 0 HG12 VAL A 83 -1.317 8.542 2.702 1.00 43.32 H new ATOM 0 HG13 VAL A 83 -0.049 8.896 3.900 1.00 43.32 H new ATOM 0 HG21 VAL A 83 -0.996 6.771 5.952 1.00 71.40 H new ATOM 0 HG22 VAL A 83 -0.560 8.430 6.425 1.00 71.40 H new ATOM 0 HG23 VAL A 83 -2.154 7.771 6.861 1.00 71.40 H new ATOM 1391 N VAL A 84 -4.214 9.994 3.165 1.00 12.44 N ATOM 1392 CA VAL A 84 -4.774 10.434 1.875 1.00 1.34 C ATOM 1393 C VAL A 84 -5.159 11.936 1.923 1.00 34.24 C ATOM 1394 O VAL A 84 -5.036 12.634 0.916 1.00 2.45 O ATOM 1395 CB VAL A 84 -5.991 9.550 1.417 1.00 14.42 C ATOM 1396 CG1 VAL A 84 -6.460 9.937 -0.011 1.00 2.45 C ATOM 1397 CG2 VAL A 84 -5.637 8.042 1.486 1.00 65.02 C ATOM 0 H VAL A 84 -4.846 9.415 3.718 1.00 12.44 H new ATOM 0 HA VAL A 84 -3.993 10.303 1.126 1.00 1.34 H new ATOM 0 HB VAL A 84 -6.815 9.740 2.105 1.00 14.42 H new ATOM 0 HG11 VAL A 84 -7.302 9.309 -0.300 1.00 2.45 H new ATOM 0 HG12 VAL A 84 -6.767 10.983 -0.022 1.00 2.45 H new ATOM 0 HG13 VAL A 84 -5.641 9.792 -0.715 1.00 2.45 H new ATOM 0 HG21 VAL A 84 -6.495 7.452 1.164 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.790 7.837 0.832 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -5.377 7.776 2.511 1.00 65.02 H new ATOM 1407 N LYS A 85 -5.591 12.432 3.101 1.00 55.54 N ATOM 1408 CA LYS A 85 -5.845 13.886 3.318 1.00 4.13 C ATOM 1409 C LYS A 85 -4.546 14.689 3.106 1.00 31.35 C ATOM 1410 O LYS A 85 -4.545 15.784 2.532 1.00 3.04 O ATOM 1411 CB LYS A 85 -6.375 14.148 4.754 1.00 73.21 C ATOM 1412 CG LYS A 85 -7.729 13.488 5.084 1.00 20.34 C ATOM 1413 CD LYS A 85 -8.125 13.668 6.567 1.00 0.10 C ATOM 1414 CE LYS A 85 -9.386 12.879 6.942 1.00 12.31 C ATOM 1415 NZ LYS A 85 -10.576 13.324 6.174 1.00 11.02 N ATOM 0 H LYS A 85 -5.773 11.853 3.921 1.00 55.54 H new ATOM 0 HA LYS A 85 -6.598 14.206 2.598 1.00 4.13 H new ATOM 0 HB2 LYS A 85 -5.632 13.793 5.469 1.00 73.21 H new ATOM 0 HB3 LYS A 85 -6.469 15.224 4.899 1.00 73.21 H new ATOM 0 HG2 LYS A 85 -8.504 13.917 4.449 1.00 20.34 H new ATOM 0 HG3 LYS A 85 -7.678 12.424 4.851 1.00 20.34 H new ATOM 0 HD2 LYS A 85 -7.299 13.347 7.201 1.00 0.10 H new ATOM 0 HD3 LYS A 85 -8.290 14.726 6.769 1.00 0.10 H new ATOM 0 HE2 LYS A 85 -9.215 11.818 6.761 1.00 12.31 H new ATOM 0 HE3 LYS A 85 -9.580 12.994 8.008 1.00 12.31 H new ATOM 0 HZ1 LYS A 85 -11.407 12.775 6.473 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 -10.746 14.334 6.352 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 -10.409 13.175 5.158 1.00 11.02 H new ATOM 1429 N ASP A 86 -3.447 14.090 3.581 1.00 12.12 N ATOM 1430 CA ASP A 86 -2.106 14.682 3.570 1.00 53.33 C ATOM 1431 C ASP A 86 -1.496 14.666 2.154 1.00 20.21 C ATOM 1432 O ASP A 86 -0.958 15.679 1.704 1.00 0.33 O ATOM 1433 CB ASP A 86 -1.210 13.913 4.577 1.00 64.41 C ATOM 1434 CG ASP A 86 0.233 14.437 4.637 1.00 14.34 C ATOM 1435 OD1 ASP A 86 0.470 15.479 5.284 1.00 33.51 O ATOM 1436 OD2 ASP A 86 1.140 13.795 4.071 1.00 61.31 O ATOM 0 H ASP A 86 -3.468 13.157 3.993 1.00 12.12 H new ATOM 0 HA ASP A 86 -2.173 15.727 3.871 1.00 53.33 H new ATOM 0 HB2 ASP A 86 -1.654 13.979 5.570 1.00 64.41 H new ATOM 0 HB3 ASP A 86 -1.194 12.858 4.305 1.00 64.41 H new ATOM 1441 N VAL A 87 -1.626 13.525 1.439 1.00 4.43 N ATOM 1442 CA VAL A 87 -0.965 13.318 0.126 1.00 40.22 C ATOM 1443 C VAL A 87 -1.540 14.255 -0.972 1.00 14.21 C ATOM 1444 O VAL A 87 -0.890 14.491 -1.988 1.00 71.33 O ATOM 1445 CB VAL A 87 -1.056 11.812 -0.349 1.00 22.11 C ATOM 1446 CG1 VAL A 87 -2.480 11.448 -0.819 1.00 21.41 C ATOM 1447 CG2 VAL A 87 -0.006 11.481 -1.442 1.00 42.03 C ATOM 0 H VAL A 87 -2.184 12.730 1.749 1.00 4.43 H new ATOM 0 HA VAL A 87 0.085 13.570 0.273 1.00 40.22 H new ATOM 0 HB VAL A 87 -0.825 11.196 0.520 1.00 22.11 H new ATOM 0 HG11 VAL A 87 -2.503 10.406 -1.138 1.00 21.41 H new ATOM 0 HG12 VAL A 87 -3.182 11.592 0.002 1.00 21.41 H new ATOM 0 HG13 VAL A 87 -2.762 12.089 -1.654 1.00 21.41 H new ATOM 0 HG21 VAL A 87 -0.106 10.437 -1.738 1.00 42.03 H new ATOM 0 HG22 VAL A 87 -0.169 12.121 -2.309 1.00 42.03 H new ATOM 0 HG23 VAL A 87 0.996 11.653 -1.048 1.00 42.03 H new