USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 657 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 57 GLN :FLIP amide:sc= -0.4 F(o=-0.87,f=-0.26) USER MOD Set 1.2: A 80 TYR OH : rot -108:sc= 0.136 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0824 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 4 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.7!) USER MOD Single : A 6 GLN : amide:sc= 0.446 K(o=0.45,f=-0.1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00933 USER MOD Single : A 32 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.028) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0268) USER MOD Single : A 47 ASN : amide:sc= -0.85 K(o=-0.85,f=-5!) USER MOD Single : A 56 GLN : amide:sc= -0.855 X(o=-0.85,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= 1.59 (180deg=-1.61!) USER MOD Single : A 61 SER OG : rot -77:sc= 1.26 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.047 F(o=-0.94,f=-0.047) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -62:sc= 1.37 USER MOD Single : A 74 CYS SG : rot -37:sc= -0.181 USER MOD Single : A 77 MET CE :methyl -110:sc= -6.44! (180deg=-10.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.334 -1.429 -7.638 1.00 62.02 N ATOM 2 CA GLY A 1 13.847 -1.299 -6.260 1.00 74.03 C ATOM 3 C GLY A 1 14.770 -0.397 -5.456 1.00 61.42 C ATOM 4 O GLY A 1 15.961 -0.313 -5.768 1.00 72.10 O ATOM 0 H1 GLY A 1 13.680 -0.943 -8.284 1.00 62.02 H new ATOM 0 H2 GLY A 1 15.279 -1.001 -7.714 1.00 62.02 H new ATOM 0 H3 GLY A 1 14.388 -2.436 -7.893 1.00 62.02 H new ATOM 0 HA2 GLY A 1 12.837 -0.889 -6.261 1.00 74.03 H new ATOM 0 HA3 GLY A 1 13.791 -2.282 -5.793 1.00 74.03 H new ATOM 8 N SER A 2 14.250 0.273 -4.431 1.00 5.13 N ATOM 9 CA SER A 2 15.041 0.944 -3.407 1.00 60.14 C ATOM 10 C SER A 2 15.624 -0.112 -2.451 1.00 61.11 C ATOM 11 O SER A 2 15.591 -1.319 -2.709 1.00 51.41 O ATOM 12 CB SER A 2 14.127 1.962 -2.705 1.00 51.51 C ATOM 13 OG SER A 2 14.756 2.747 -1.704 1.00 11.43 O ATOM 0 H SER A 2 13.244 0.366 -4.287 1.00 5.13 H new ATOM 0 HA SER A 2 15.889 1.486 -3.826 1.00 60.14 H new ATOM 0 HB2 SER A 2 13.707 2.629 -3.458 1.00 51.51 H new ATOM 0 HB3 SER A 2 13.292 1.426 -2.253 1.00 51.51 H new ATOM 0 HG SER A 2 14.103 3.365 -1.314 1.00 11.43 H new ATOM 19 N GLU A 3 16.203 0.353 -1.347 1.00 2.54 N ATOM 20 CA GLU A 3 16.591 -0.455 -0.202 1.00 43.53 C ATOM 21 C GLU A 3 15.371 -1.007 0.546 1.00 23.33 C ATOM 22 O GLU A 3 15.413 -2.148 1.021 1.00 43.43 O ATOM 23 CB GLU A 3 17.539 0.349 0.697 1.00 23.12 C ATOM 24 CG GLU A 3 16.963 1.663 1.252 1.00 52.32 C ATOM 25 CD GLU A 3 16.525 1.550 2.711 1.00 53.24 C ATOM 26 OE1 GLU A 3 17.368 1.237 3.586 1.00 11.43 O ATOM 27 OE2 GLU A 3 15.350 1.853 2.996 1.00 14.45 O ATOM 0 H GLU A 3 16.422 1.342 -1.224 1.00 2.54 H new ATOM 0 HA GLU A 3 17.133 -1.334 -0.551 1.00 43.53 H new ATOM 0 HB2 GLU A 3 17.838 -0.280 1.535 1.00 23.12 H new ATOM 0 HB3 GLU A 3 18.442 0.578 0.132 1.00 23.12 H new ATOM 0 HG2 GLU A 3 17.713 2.449 1.163 1.00 52.32 H new ATOM 0 HG3 GLU A 3 16.110 1.966 0.644 1.00 52.32 H new ATOM 34 N ASN A 4 14.286 -0.224 0.619 1.00 61.23 N ATOM 35 CA ASN A 4 13.125 -0.506 1.470 1.00 41.44 C ATOM 36 C ASN A 4 12.468 -1.852 1.151 1.00 0.45 C ATOM 37 O ASN A 4 11.888 -2.475 2.045 1.00 63.22 O ATOM 38 CB ASN A 4 12.100 0.645 1.399 1.00 53.11 C ATOM 39 CG ASN A 4 11.204 0.568 0.174 1.00 40.12 C ATOM 40 OD1 ASN A 4 10.366 -0.319 0.063 1.00 62.45 O ATOM 41 ND2 ASN A 4 11.346 1.501 -0.748 1.00 33.21 N ATOM 0 H ASN A 4 14.190 0.636 0.079 1.00 61.23 H new ATOM 0 HA ASN A 4 13.495 -0.579 2.493 1.00 41.44 H new ATOM 0 HB2 ASN A 4 11.481 0.629 2.296 1.00 53.11 H new ATOM 0 HB3 ASN A 4 12.631 1.597 1.395 1.00 53.11 H new ATOM 0 HD21 ASN A 4 10.751 1.494 -1.576 1.00 33.21 H new ATOM 0 HD22 ASN A 4 12.051 2.229 -0.633 1.00 33.21 H new ATOM 48 N PHE A 5 12.601 -2.321 -0.093 1.00 3.45 N ATOM 49 CA PHE A 5 12.141 -3.609 -0.585 1.00 3.45 C ATOM 50 C PHE A 5 12.493 -4.757 0.359 1.00 31.01 C ATOM 51 O PHE A 5 11.701 -5.675 0.576 1.00 23.44 O ATOM 52 CB PHE A 5 12.829 -3.839 -1.932 1.00 73.00 C ATOM 53 CG PHE A 5 12.498 -5.168 -2.571 1.00 32.03 C ATOM 54 CD1 PHE A 5 11.189 -5.443 -3.007 1.00 61.33 C ATOM 55 CD2 PHE A 5 13.496 -6.151 -2.681 1.00 31.43 C ATOM 56 CE1 PHE A 5 10.883 -6.709 -3.537 1.00 24.22 C ATOM 57 CE2 PHE A 5 13.191 -7.407 -3.224 1.00 61.20 C ATOM 58 CZ PHE A 5 11.883 -7.688 -3.645 1.00 31.24 C ATOM 0 H PHE A 5 13.061 -1.774 -0.821 1.00 3.45 H new ATOM 0 HA PHE A 5 11.054 -3.592 -0.668 1.00 3.45 H new ATOM 0 HB2 PHE A 5 12.545 -3.038 -2.615 1.00 73.00 H new ATOM 0 HB3 PHE A 5 13.908 -3.773 -1.794 1.00 73.00 H new ATOM 0 HD1 PHE A 5 10.423 -4.685 -2.935 1.00 61.33 H new ATOM 0 HD2 PHE A 5 14.501 -5.938 -2.346 1.00 31.43 H new ATOM 0 HE1 PHE A 5 9.877 -6.928 -3.862 1.00 24.22 H new ATOM 0 HE2 PHE A 5 13.962 -8.157 -3.318 1.00 61.20 H new ATOM 0 HZ PHE A 5 11.645 -8.659 -4.053 1.00 31.24 H new ATOM 68 N GLN A 6 13.705 -4.722 0.904 1.00 1.34 N ATOM 69 CA GLN A 6 14.185 -5.807 1.743 1.00 55.42 C ATOM 70 C GLN A 6 13.452 -5.855 3.088 1.00 0.52 C ATOM 71 O GLN A 6 13.190 -6.954 3.585 1.00 62.40 O ATOM 72 CB GLN A 6 15.702 -5.699 1.928 1.00 53.24 C ATOM 73 CG GLN A 6 16.268 -6.879 2.725 1.00 15.45 C ATOM 74 CD GLN A 6 16.043 -8.236 2.051 1.00 71.32 C ATOM 75 OE1 GLN A 6 16.900 -8.727 1.315 1.00 53.23 O ATOM 76 NE2 GLN A 6 14.920 -8.880 2.324 1.00 41.33 N ATOM 0 H GLN A 6 14.368 -3.957 0.779 1.00 1.34 H new ATOM 0 HA GLN A 6 13.967 -6.748 1.239 1.00 55.42 H new ATOM 0 HB2 GLN A 6 16.184 -5.656 0.951 1.00 53.24 H new ATOM 0 HB3 GLN A 6 15.939 -4.767 2.442 1.00 53.24 H new ATOM 0 HG2 GLN A 6 17.337 -6.728 2.872 1.00 15.45 H new ATOM 0 HG3 GLN A 6 15.809 -6.893 3.714 1.00 15.45 H new ATOM 0 HE21 GLN A 6 14.224 -8.454 2.936 1.00 41.33 H new ATOM 0 HE22 GLN A 6 14.750 -9.802 1.922 1.00 41.33 H new ATOM 85 N THR A 7 13.122 -4.708 3.686 1.00 22.23 N ATOM 86 CA THR A 7 12.274 -4.692 4.868 1.00 34.42 C ATOM 87 C THR A 7 10.886 -5.196 4.490 1.00 2.41 C ATOM 88 O THR A 7 10.297 -5.947 5.255 1.00 33.04 O ATOM 89 CB THR A 7 12.197 -3.277 5.454 1.00 34.21 C ATOM 90 OG1 THR A 7 13.489 -2.823 5.791 1.00 42.10 O ATOM 91 CG2 THR A 7 11.287 -3.209 6.687 1.00 24.05 C ATOM 0 H THR A 7 13.429 -3.788 3.370 1.00 22.23 H new ATOM 0 HA THR A 7 12.699 -5.345 5.630 1.00 34.42 H new ATOM 0 HB THR A 7 11.765 -2.632 4.689 1.00 34.21 H new ATOM 0 HG1 THR A 7 13.431 -1.918 6.163 1.00 42.10 H new ATOM 0 HG21 THR A 7 11.264 -2.187 7.066 1.00 24.05 H new ATOM 0 HG22 THR A 7 10.278 -3.517 6.412 1.00 24.05 H new ATOM 0 HG23 THR A 7 11.671 -3.875 7.460 1.00 24.05 H new ATOM 99 N LEU A 8 10.365 -4.825 3.317 1.00 14.15 N ATOM 100 CA LEU A 8 9.028 -5.227 2.906 1.00 41.53 C ATOM 101 C LEU A 8 8.892 -6.740 2.841 1.00 60.03 C ATOM 102 O LEU A 8 7.930 -7.290 3.384 1.00 41.23 O ATOM 103 CB LEU A 8 8.681 -4.643 1.538 1.00 4.44 C ATOM 104 CG LEU A 8 8.451 -3.123 1.489 1.00 11.43 C ATOM 105 CD1 LEU A 8 7.996 -2.759 0.077 1.00 0.41 C ATOM 106 CD2 LEU A 8 7.434 -2.618 2.522 1.00 63.05 C ATOM 0 H LEU A 8 10.856 -4.245 2.637 1.00 14.15 H new ATOM 0 HA LEU A 8 8.339 -4.842 3.657 1.00 41.53 H new ATOM 0 HB2 LEU A 8 9.485 -4.891 0.845 1.00 4.44 H new ATOM 0 HB3 LEU A 8 7.781 -5.138 1.172 1.00 4.44 H new ATOM 0 HG LEU A 8 9.392 -2.635 1.744 1.00 11.43 H new ATOM 0 HD11 LEU A 8 7.826 -1.684 0.015 1.00 0.41 H new ATOM 0 HD12 LEU A 8 8.766 -3.046 -0.639 1.00 0.41 H new ATOM 0 HD13 LEU A 8 7.071 -3.287 -0.155 1.00 0.41 H new ATOM 0 HD21 LEU A 8 7.325 -1.538 2.427 1.00 63.05 H new ATOM 0 HD22 LEU A 8 6.470 -3.097 2.348 1.00 63.05 H new ATOM 0 HD23 LEU A 8 7.784 -2.860 3.526 1.00 63.05 H new ATOM 118 N LEU A 9 9.855 -7.400 2.193 1.00 45.20 N ATOM 119 CA LEU A 9 9.948 -8.855 2.134 1.00 61.03 C ATOM 120 C LEU A 9 9.879 -9.461 3.533 1.00 21.35 C ATOM 121 O LEU A 9 9.237 -10.493 3.728 1.00 11.54 O ATOM 122 CB LEU A 9 11.276 -9.260 1.466 1.00 74.00 C ATOM 123 CG LEU A 9 11.282 -9.233 -0.071 1.00 12.23 C ATOM 124 CD1 LEU A 9 12.710 -9.508 -0.553 1.00 32.14 C ATOM 125 CD2 LEU A 9 10.339 -10.281 -0.678 1.00 25.14 C ATOM 0 H LEU A 9 10.604 -6.927 1.687 1.00 45.20 H new ATOM 0 HA LEU A 9 9.108 -9.231 1.550 1.00 61.03 H new ATOM 0 HB2 LEU A 9 12.061 -8.595 1.826 1.00 74.00 H new ATOM 0 HB3 LEU A 9 11.535 -10.266 1.795 1.00 74.00 H new ATOM 0 HG LEU A 9 10.932 -8.252 -0.394 1.00 12.23 H new ATOM 0 HD11 LEU A 9 12.735 -9.493 -1.643 1.00 32.14 H new ATOM 0 HD12 LEU A 9 13.379 -8.741 -0.164 1.00 32.14 H new ATOM 0 HD13 LEU A 9 13.033 -10.486 -0.196 1.00 32.14 H new ATOM 0 HD21 LEU A 9 10.380 -10.221 -1.766 1.00 25.14 H new ATOM 0 HD22 LEU A 9 10.647 -11.276 -0.358 1.00 25.14 H new ATOM 0 HD23 LEU A 9 9.320 -10.091 -0.342 1.00 25.14 H new ATOM 137 N ASP A 10 10.520 -8.802 4.500 1.00 20.15 N ATOM 138 CA ASP A 10 10.655 -9.318 5.869 1.00 11.22 C ATOM 139 C ASP A 10 9.523 -8.836 6.778 1.00 0.45 C ATOM 140 O ASP A 10 9.389 -9.282 7.916 1.00 1.13 O ATOM 141 CB ASP A 10 12.013 -8.940 6.470 1.00 4.23 C ATOM 142 CG ASP A 10 12.382 -9.879 7.631 1.00 64.44 C ATOM 143 OD1 ASP A 10 12.851 -11.011 7.361 1.00 2.54 O ATOM 144 OD2 ASP A 10 12.211 -9.477 8.807 1.00 41.51 O ATOM 0 H ASP A 10 10.962 -7.894 4.359 1.00 20.15 H new ATOM 0 HA ASP A 10 10.590 -10.404 5.804 1.00 11.22 H new ATOM 0 HB2 ASP A 10 12.782 -8.989 5.699 1.00 4.23 H new ATOM 0 HB3 ASP A 10 11.983 -7.910 6.826 1.00 4.23 H new ATOM 149 N ALA A 11 8.666 -7.933 6.302 1.00 75.33 N ATOM 150 CA ALA A 11 7.538 -7.382 7.039 1.00 32.03 C ATOM 151 C ALA A 11 6.301 -8.268 6.887 1.00 23.31 C ATOM 152 O ALA A 11 5.239 -7.917 7.399 1.00 54.24 O ATOM 153 CB ALA A 11 7.253 -5.954 6.555 1.00 24.42 C ATOM 0 H ALA A 11 8.744 -7.554 5.358 1.00 75.33 H new ATOM 0 HA ALA A 11 7.791 -7.351 8.099 1.00 32.03 H new ATOM 0 HB1 ALA A 11 6.408 -5.544 7.108 1.00 24.42 H new ATOM 0 HB2 ALA A 11 8.132 -5.331 6.721 1.00 24.42 H new ATOM 0 HB3 ALA A 11 7.016 -5.971 5.491 1.00 24.42 H new ATOM 159 N GLY A 12 6.391 -9.398 6.183 1.00 22.12 N ATOM 160 CA GLY A 12 5.277 -10.309 5.942 1.00 14.50 C ATOM 161 C GLY A 12 4.999 -10.490 4.456 1.00 32.12 C ATOM 162 O GLY A 12 4.387 -11.483 4.060 1.00 21.03 O ATOM 0 H GLY A 12 7.263 -9.710 5.755 1.00 22.12 H new ATOM 0 HA2 GLY A 12 5.498 -11.278 6.390 1.00 14.50 H new ATOM 0 HA3 GLY A 12 4.383 -9.926 6.434 1.00 14.50 H new ATOM 166 N LEU A 13 5.412 -9.530 3.627 1.00 65.41 N ATOM 167 CA LEU A 13 4.827 -9.378 2.305 1.00 21.04 C ATOM 168 C LEU A 13 5.390 -10.413 1.338 1.00 42.13 C ATOM 169 O LEU A 13 6.590 -10.708 1.376 1.00 12.44 O ATOM 170 CB LEU A 13 5.085 -7.968 1.753 1.00 3.11 C ATOM 171 CG LEU A 13 4.505 -6.860 2.648 1.00 4.52 C ATOM 172 CD1 LEU A 13 4.943 -5.490 2.145 1.00 4.41 C ATOM 173 CD2 LEU A 13 2.980 -6.895 2.694 1.00 4.33 C ATOM 0 H LEU A 13 6.143 -8.854 3.850 1.00 65.41 H new ATOM 0 HA LEU A 13 3.752 -9.532 2.401 1.00 21.04 H new ATOM 0 HB2 LEU A 13 6.159 -7.816 1.645 1.00 3.11 H new ATOM 0 HB3 LEU A 13 4.650 -7.888 0.757 1.00 3.11 H new ATOM 0 HG LEU A 13 4.887 -7.038 3.653 1.00 4.52 H new ATOM 0 HD11 LEU A 13 4.525 -4.716 2.788 1.00 4.41 H new ATOM 0 HD12 LEU A 13 6.031 -5.427 2.161 1.00 4.41 H new ATOM 0 HD13 LEU A 13 4.587 -5.346 1.125 1.00 4.41 H new ATOM 0 HD21 LEU A 13 2.617 -6.094 3.338 1.00 4.33 H new ATOM 0 HD22 LEU A 13 2.582 -6.760 1.688 1.00 4.33 H new ATOM 0 HD23 LEU A 13 2.650 -7.856 3.089 1.00 4.33 H new ATOM 185 N PRO A 14 4.569 -10.913 0.402 1.00 73.12 N ATOM 186 CA PRO A 14 5.075 -11.642 -0.745 1.00 42.42 C ATOM 187 C PRO A 14 5.920 -10.703 -1.611 1.00 74.02 C ATOM 188 O PRO A 14 5.713 -9.485 -1.628 1.00 4.53 O ATOM 189 CB PRO A 14 3.833 -12.176 -1.460 1.00 54.11 C ATOM 190 CG PRO A 14 2.763 -11.157 -1.111 1.00 25.30 C ATOM 191 CD PRO A 14 3.128 -10.724 0.302 1.00 71.35 C ATOM 0 HA PRO A 14 5.733 -12.470 -0.483 1.00 42.42 H new ATOM 0 HB2 PRO A 14 3.987 -12.244 -2.537 1.00 54.11 H new ATOM 0 HB3 PRO A 14 3.567 -13.174 -1.112 1.00 54.11 H new ATOM 0 HG2 PRO A 14 2.771 -10.315 -1.803 1.00 25.30 H new ATOM 0 HG3 PRO A 14 1.765 -11.594 -1.151 1.00 25.30 H new ATOM 0 HD2 PRO A 14 2.855 -9.684 0.477 1.00 71.35 H new ATOM 0 HD3 PRO A 14 2.600 -11.322 1.045 1.00 71.35 H new ATOM 199 N GLN A 15 6.833 -11.276 -2.396 1.00 54.15 N ATOM 200 CA GLN A 15 7.728 -10.544 -3.277 1.00 31.22 C ATOM 201 C GLN A 15 6.899 -9.747 -4.264 1.00 70.01 C ATOM 202 O GLN A 15 7.224 -8.601 -4.564 1.00 43.31 O ATOM 203 CB GLN A 15 8.642 -11.550 -3.992 1.00 42.50 C ATOM 204 CG GLN A 15 9.505 -10.878 -5.063 1.00 44.31 C ATOM 205 CD GLN A 15 10.572 -11.810 -5.619 1.00 62.00 C ATOM 206 OE1 GLN A 15 11.305 -12.457 -4.882 1.00 63.33 O ATOM 207 NE2 GLN A 15 10.756 -11.836 -6.923 1.00 33.25 N ATOM 0 H GLN A 15 6.970 -12.286 -2.434 1.00 54.15 H new ATOM 0 HA GLN A 15 8.352 -9.849 -2.716 1.00 31.22 H new ATOM 0 HB2 GLN A 15 9.286 -12.038 -3.261 1.00 42.50 H new ATOM 0 HB3 GLN A 15 8.034 -12.329 -4.452 1.00 42.50 H new ATOM 0 HG2 GLN A 15 8.867 -10.535 -5.877 1.00 44.31 H new ATOM 0 HG3 GLN A 15 9.983 -9.995 -4.639 1.00 44.31 H new ATOM 0 HE21 GLN A 15 10.144 -11.296 -7.535 1.00 33.25 H new ATOM 0 HE22 GLN A 15 11.510 -12.396 -7.321 1.00 33.25 H new ATOM 216 N LYS A 16 5.816 -10.352 -4.753 1.00 63.05 N ATOM 217 CA LYS A 16 4.962 -9.717 -5.733 1.00 74.13 C ATOM 218 C LYS A 16 4.439 -8.367 -5.253 1.00 53.54 C ATOM 219 O LYS A 16 4.451 -7.408 -6.021 1.00 24.13 O ATOM 220 CB LYS A 16 3.800 -10.649 -6.080 1.00 12.11 C ATOM 221 CG LYS A 16 4.194 -11.814 -6.987 1.00 22.14 C ATOM 222 CD LYS A 16 4.361 -11.332 -8.431 1.00 31.24 C ATOM 223 CE LYS A 16 4.248 -12.538 -9.352 1.00 72.24 C ATOM 224 NZ LYS A 16 4.015 -12.127 -10.748 1.00 12.22 N ATOM 0 H LYS A 16 5.516 -11.287 -4.478 1.00 63.05 H new ATOM 0 HA LYS A 16 5.559 -9.527 -6.625 1.00 74.13 H new ATOM 0 HB2 LYS A 16 3.377 -11.046 -5.157 1.00 12.11 H new ATOM 0 HB3 LYS A 16 3.015 -10.070 -6.567 1.00 12.11 H new ATOM 0 HG2 LYS A 16 5.125 -12.259 -6.635 1.00 22.14 H new ATOM 0 HG3 LYS A 16 3.432 -12.592 -6.942 1.00 22.14 H new ATOM 0 HD2 LYS A 16 3.597 -10.594 -8.676 1.00 31.24 H new ATOM 0 HD3 LYS A 16 5.328 -10.845 -8.560 1.00 31.24 H new ATOM 0 HE2 LYS A 16 5.161 -13.130 -9.293 1.00 72.24 H new ATOM 0 HE3 LYS A 16 3.431 -13.178 -9.018 1.00 72.24 H new ATOM 0 HZ1 LYS A 16 3.943 -12.971 -11.351 1.00 12.22 H new ATOM 0 HZ2 LYS A 16 3.131 -11.583 -10.807 1.00 12.22 H new ATOM 0 HZ3 LYS A 16 4.807 -11.537 -11.073 1.00 12.22 H new ATOM 238 N VAL A 17 3.962 -8.299 -4.011 1.00 43.41 N ATOM 239 CA VAL A 17 3.499 -7.063 -3.397 1.00 72.15 C ATOM 240 C VAL A 17 4.710 -6.170 -3.149 1.00 13.33 C ATOM 241 O VAL A 17 4.692 -5.010 -3.559 1.00 5.13 O ATOM 242 CB VAL A 17 2.706 -7.388 -2.114 1.00 11.51 C ATOM 243 CG1 VAL A 17 2.264 -6.147 -1.328 1.00 42.51 C ATOM 244 CG2 VAL A 17 1.438 -8.162 -2.493 1.00 2.23 C ATOM 0 H VAL A 17 3.887 -9.112 -3.399 1.00 43.41 H new ATOM 0 HA VAL A 17 2.816 -6.521 -4.051 1.00 72.15 H new ATOM 0 HB VAL A 17 3.379 -7.965 -1.480 1.00 11.51 H new ATOM 0 HG11 VAL A 17 1.713 -6.456 -0.440 1.00 42.51 H new ATOM 0 HG12 VAL A 17 3.142 -5.574 -1.029 1.00 42.51 H new ATOM 0 HG13 VAL A 17 1.623 -5.528 -1.956 1.00 42.51 H new ATOM 0 HG21 VAL A 17 0.871 -8.396 -1.592 1.00 2.23 H new ATOM 0 HG22 VAL A 17 0.826 -7.554 -3.159 1.00 2.23 H new ATOM 0 HG23 VAL A 17 1.714 -9.087 -2.998 1.00 2.23 H new ATOM 254 N ALA A 18 5.762 -6.703 -2.516 1.00 1.10 N ATOM 255 CA ALA A 18 6.935 -5.935 -2.120 1.00 54.24 C ATOM 256 C ALA A 18 7.526 -5.155 -3.299 1.00 51.31 C ATOM 257 O ALA A 18 7.847 -3.984 -3.132 1.00 61.15 O ATOM 258 CB ALA A 18 7.972 -6.857 -1.470 1.00 21.22 C ATOM 0 H ALA A 18 5.817 -7.690 -2.265 1.00 1.10 H new ATOM 0 HA ALA A 18 6.627 -5.194 -1.382 1.00 54.24 H new ATOM 0 HB1 ALA A 18 8.845 -6.274 -1.178 1.00 21.22 H new ATOM 0 HB2 ALA A 18 7.538 -7.328 -0.588 1.00 21.22 H new ATOM 0 HB3 ALA A 18 8.272 -7.626 -2.182 1.00 21.22 H new ATOM 264 N GLU A 19 7.629 -5.755 -4.491 1.00 12.30 N ATOM 265 CA GLU A 19 8.176 -5.085 -5.670 1.00 62.42 C ATOM 266 C GLU A 19 7.367 -3.835 -6.012 1.00 25.01 C ATOM 267 O GLU A 19 7.919 -2.739 -6.137 1.00 2.10 O ATOM 268 CB GLU A 19 8.181 -6.021 -6.890 1.00 11.50 C ATOM 269 CG GLU A 19 9.290 -7.078 -6.867 1.00 42.32 C ATOM 270 CD GLU A 19 9.806 -7.334 -8.284 1.00 22.13 C ATOM 271 OE1 GLU A 19 9.024 -7.861 -9.111 1.00 51.41 O ATOM 272 OE2 GLU A 19 10.989 -7.014 -8.556 1.00 44.31 O ATOM 0 H GLU A 19 7.335 -6.717 -4.662 1.00 12.30 H new ATOM 0 HA GLU A 19 9.201 -4.802 -5.430 1.00 62.42 H new ATOM 0 HB2 GLU A 19 7.216 -6.524 -6.951 1.00 11.50 H new ATOM 0 HB3 GLU A 19 8.285 -5.421 -7.794 1.00 11.50 H new ATOM 0 HG2 GLU A 19 10.108 -6.743 -6.229 1.00 42.32 H new ATOM 0 HG3 GLU A 19 8.910 -8.005 -6.438 1.00 42.32 H new ATOM 279 N LYS A 20 6.055 -4.005 -6.200 1.00 25.20 N ATOM 280 CA LYS A 20 5.187 -2.914 -6.625 1.00 41.14 C ATOM 281 C LYS A 20 5.053 -1.856 -5.529 1.00 65.12 C ATOM 282 O LYS A 20 4.856 -0.686 -5.860 1.00 71.11 O ATOM 283 CB LYS A 20 3.808 -3.458 -7.042 1.00 14.44 C ATOM 284 CG LYS A 20 3.705 -3.883 -8.516 1.00 41.53 C ATOM 285 CD LYS A 20 4.517 -5.126 -8.913 1.00 11.34 C ATOM 286 CE LYS A 20 4.138 -5.478 -10.357 1.00 34.43 C ATOM 287 NZ LYS A 20 4.808 -6.687 -10.880 1.00 45.52 N ATOM 0 H LYS A 20 5.573 -4.894 -6.063 1.00 25.20 H new ATOM 0 HA LYS A 20 5.642 -2.433 -7.491 1.00 41.14 H new ATOM 0 HB2 LYS A 20 3.565 -4.314 -6.413 1.00 14.44 H new ATOM 0 HB3 LYS A 20 3.056 -2.694 -6.845 1.00 14.44 H new ATOM 0 HG2 LYS A 20 2.656 -4.068 -8.749 1.00 41.53 H new ATOM 0 HG3 LYS A 20 4.027 -3.048 -9.138 1.00 41.53 H new ATOM 0 HD2 LYS A 20 5.586 -4.928 -8.834 1.00 11.34 H new ATOM 0 HD3 LYS A 20 4.297 -5.958 -8.244 1.00 11.34 H new ATOM 0 HE2 LYS A 20 3.059 -5.621 -10.413 1.00 34.43 H new ATOM 0 HE3 LYS A 20 4.382 -4.633 -11.001 1.00 34.43 H new ATOM 0 HZ1 LYS A 20 4.501 -6.858 -11.859 1.00 45.52 H new ATOM 0 HZ2 LYS A 20 5.839 -6.549 -10.860 1.00 45.52 H new ATOM 0 HZ3 LYS A 20 4.557 -7.506 -10.290 1.00 45.52 H new ATOM 301 N LEU A 21 5.138 -2.253 -4.254 1.00 1.50 N ATOM 302 CA LEU A 21 4.998 -1.368 -3.101 1.00 32.34 C ATOM 303 C LEU A 21 6.266 -0.543 -2.900 1.00 34.42 C ATOM 304 O LEU A 21 6.180 0.630 -2.562 1.00 72.04 O ATOM 305 CB LEU A 21 4.692 -2.193 -1.844 1.00 23.03 C ATOM 306 CG LEU A 21 4.470 -1.365 -0.563 1.00 63.11 C ATOM 307 CD1 LEU A 21 3.408 -0.268 -0.672 1.00 71.35 C ATOM 308 CD2 LEU A 21 4.077 -2.311 0.574 1.00 33.32 C ATOM 0 H LEU A 21 5.310 -3.224 -3.993 1.00 1.50 H new ATOM 0 HA LEU A 21 4.171 -0.682 -3.284 1.00 32.34 H new ATOM 0 HB2 LEU A 21 3.802 -2.794 -2.029 1.00 23.03 H new ATOM 0 HB3 LEU A 21 5.515 -2.887 -1.673 1.00 23.03 H new ATOM 0 HG LEU A 21 5.413 -0.852 -0.377 1.00 63.11 H new ATOM 0 HD11 LEU A 21 3.327 0.256 0.280 1.00 71.35 H new ATOM 0 HD12 LEU A 21 3.693 0.438 -1.452 1.00 71.35 H new ATOM 0 HD13 LEU A 21 2.446 -0.716 -0.922 1.00 71.35 H new ATOM 0 HD21 LEU A 21 3.917 -1.737 1.486 1.00 33.32 H new ATOM 0 HD22 LEU A 21 3.159 -2.836 0.310 1.00 33.32 H new ATOM 0 HD23 LEU A 21 4.875 -3.036 0.737 1.00 33.32 H new ATOM 320 N ASP A 22 7.435 -1.130 -3.146 1.00 22.30 N ATOM 321 CA ASP A 22 8.727 -0.464 -2.990 1.00 61.45 C ATOM 322 C ASP A 22 8.776 0.822 -3.813 1.00 40.32 C ATOM 323 O ASP A 22 9.239 1.845 -3.315 1.00 3.24 O ATOM 324 CB ASP A 22 9.861 -1.431 -3.356 1.00 11.34 C ATOM 325 CG ASP A 22 11.170 -0.711 -3.682 1.00 64.25 C ATOM 326 OD1 ASP A 22 11.360 -0.359 -4.869 1.00 12.42 O ATOM 327 OD2 ASP A 22 12.042 -0.577 -2.803 1.00 41.24 O ATOM 0 H ASP A 22 7.513 -2.096 -3.464 1.00 22.30 H new ATOM 0 HA ASP A 22 8.860 -0.176 -1.947 1.00 61.45 H new ATOM 0 HB2 ASP A 22 10.027 -2.120 -2.528 1.00 11.34 H new ATOM 0 HB3 ASP A 22 9.558 -2.031 -4.214 1.00 11.34 H new ATOM 332 N GLU A 23 8.210 0.789 -5.026 1.00 25.21 N ATOM 333 CA GLU A 23 8.132 1.905 -5.961 1.00 41.23 C ATOM 334 C GLU A 23 7.359 3.088 -5.387 1.00 12.52 C ATOM 335 O GLU A 23 7.567 4.234 -5.797 1.00 40.15 O ATOM 336 CB GLU A 23 7.373 1.460 -7.224 1.00 11.23 C ATOM 337 CG GLU A 23 8.147 1.732 -8.519 1.00 22.32 C ATOM 338 CD GLU A 23 7.173 1.971 -9.673 1.00 41.42 C ATOM 339 OE1 GLU A 23 6.585 0.999 -10.201 1.00 53.32 O ATOM 340 OE2 GLU A 23 6.898 3.141 -10.010 1.00 74.04 O ATOM 0 H GLU A 23 7.776 -0.058 -5.394 1.00 25.21 H new ATOM 0 HA GLU A 23 9.157 2.207 -6.175 1.00 41.23 H new ATOM 0 HB2 GLU A 23 7.157 0.394 -7.154 1.00 11.23 H new ATOM 0 HB3 GLU A 23 6.414 1.977 -7.265 1.00 11.23 H new ATOM 0 HG2 GLU A 23 8.791 2.602 -8.391 1.00 22.32 H new ATOM 0 HG3 GLU A 23 8.795 0.886 -8.749 1.00 22.32 H new ATOM 347 N ILE A 24 6.397 2.818 -4.503 1.00 0.10 N ATOM 348 CA ILE A 24 5.544 3.850 -3.951 1.00 32.33 C ATOM 349 C ILE A 24 6.428 4.785 -3.109 1.00 53.41 C ATOM 350 O ILE A 24 6.234 6.002 -3.128 1.00 72.35 O ATOM 351 CB ILE A 24 4.352 3.200 -3.194 1.00 2.30 C ATOM 352 CG1 ILE A 24 3.685 2.155 -4.127 1.00 2.20 C ATOM 353 CG2 ILE A 24 3.335 4.233 -2.692 1.00 11.41 C ATOM 354 CD1 ILE A 24 2.209 1.811 -3.904 1.00 24.02 C ATOM 0 H ILE A 24 6.195 1.880 -4.157 1.00 0.10 H new ATOM 0 HA ILE A 24 5.077 4.465 -4.720 1.00 32.33 H new ATOM 0 HB ILE A 24 4.735 2.709 -2.300 1.00 2.30 H new ATOM 0 HG12 ILE A 24 3.791 2.511 -5.152 1.00 2.20 H new ATOM 0 HG13 ILE A 24 4.256 1.230 -4.050 1.00 2.20 H new ATOM 0 HG21 ILE A 24 2.525 3.723 -2.171 1.00 11.41 H new ATOM 0 HG22 ILE A 24 3.827 4.925 -2.008 1.00 11.41 H new ATOM 0 HG23 ILE A 24 2.930 4.786 -3.539 1.00 11.41 H new ATOM 0 HD11 ILE A 24 1.894 1.067 -4.636 1.00 24.02 H new ATOM 0 HD12 ILE A 24 2.077 1.410 -2.899 1.00 24.02 H new ATOM 0 HD13 ILE A 24 1.604 2.711 -4.018 1.00 24.02 H new ATOM 366 N TYR A 25 7.468 4.225 -2.480 1.00 15.40 N ATOM 367 CA TYR A 25 8.431 4.907 -1.629 1.00 15.33 C ATOM 368 C TYR A 25 9.651 5.430 -2.404 1.00 11.51 C ATOM 369 O TYR A 25 10.627 5.885 -1.799 1.00 52.22 O ATOM 370 CB TYR A 25 8.846 3.938 -0.514 1.00 71.31 C ATOM 371 CG TYR A 25 7.712 3.178 0.159 1.00 14.42 C ATOM 372 CD1 TYR A 25 6.608 3.873 0.674 1.00 75.24 C ATOM 373 CD2 TYR A 25 7.759 1.779 0.286 1.00 13.44 C ATOM 374 CE1 TYR A 25 5.564 3.191 1.322 1.00 64.24 C ATOM 375 CE2 TYR A 25 6.738 1.086 0.959 1.00 61.11 C ATOM 376 CZ TYR A 25 5.646 1.793 1.509 1.00 40.13 C ATOM 377 OH TYR A 25 4.689 1.147 2.228 1.00 62.01 O ATOM 0 H TYR A 25 7.665 3.227 -2.560 1.00 15.40 H new ATOM 0 HA TYR A 25 7.961 5.795 -1.206 1.00 15.33 H new ATOM 0 HB2 TYR A 25 9.547 3.214 -0.930 1.00 71.31 H new ATOM 0 HB3 TYR A 25 9.384 4.501 0.249 1.00 71.31 H new ATOM 0 HD1 TYR A 25 6.560 4.947 0.571 1.00 75.24 H new ATOM 0 HD2 TYR A 25 8.588 1.231 -0.138 1.00 13.44 H new ATOM 0 HE1 TYR A 25 4.701 3.735 1.676 1.00 64.24 H new ATOM 0 HE2 TYR A 25 6.789 0.012 1.056 1.00 61.11 H new ATOM 0 HH TYR A 25 4.894 0.189 2.260 1.00 62.01 H new ATOM 387 N VAL A 26 9.635 5.360 -3.741 1.00 23.40 N ATOM 388 CA VAL A 26 10.668 5.940 -4.599 1.00 55.15 C ATOM 389 C VAL A 26 10.184 7.289 -5.139 1.00 35.34 C ATOM 390 O VAL A 26 10.976 8.229 -5.226 1.00 14.52 O ATOM 391 CB VAL A 26 11.045 4.952 -5.729 1.00 53.24 C ATOM 392 CG1 VAL A 26 12.138 5.494 -6.660 1.00 44.14 C ATOM 393 CG2 VAL A 26 11.601 3.646 -5.153 1.00 33.02 C ATOM 0 H VAL A 26 8.893 4.892 -4.261 1.00 23.40 H new ATOM 0 HA VAL A 26 11.575 6.119 -4.021 1.00 55.15 H new ATOM 0 HB VAL A 26 10.120 4.797 -6.285 1.00 53.24 H new ATOM 0 HG11 VAL A 26 12.358 4.756 -7.431 1.00 44.14 H new ATOM 0 HG12 VAL A 26 11.793 6.416 -7.128 1.00 44.14 H new ATOM 0 HG13 VAL A 26 13.040 5.696 -6.083 1.00 44.14 H new ATOM 0 HG21 VAL A 26 11.858 2.969 -5.968 1.00 33.02 H new ATOM 0 HG22 VAL A 26 12.493 3.859 -4.563 1.00 33.02 H new ATOM 0 HG23 VAL A 26 10.849 3.179 -4.517 1.00 33.02 H new ATOM 403 N ALA A 27 8.898 7.421 -5.478 1.00 1.11 N ATOM 404 CA ALA A 27 8.398 8.531 -6.284 1.00 15.20 C ATOM 405 C ALA A 27 8.273 9.838 -5.500 1.00 72.11 C ATOM 406 O ALA A 27 8.203 10.906 -6.104 1.00 55.45 O ATOM 407 CB ALA A 27 7.053 8.133 -6.896 1.00 20.31 C ATOM 0 H ALA A 27 8.175 6.758 -5.199 1.00 1.11 H new ATOM 0 HA ALA A 27 9.128 8.727 -7.069 1.00 15.20 H new ATOM 0 HB1 ALA A 27 6.671 8.956 -7.500 1.00 20.31 H new ATOM 0 HB2 ALA A 27 7.186 7.252 -7.524 1.00 20.31 H new ATOM 0 HB3 ALA A 27 6.344 7.907 -6.100 1.00 20.31 H new ATOM 413 N GLY A 28 8.269 9.781 -4.171 1.00 31.03 N ATOM 414 CA GLY A 28 8.023 10.939 -3.327 1.00 44.25 C ATOM 415 C GLY A 28 6.558 11.033 -2.905 1.00 13.42 C ATOM 416 O GLY A 28 6.115 12.088 -2.447 1.00 3.42 O ATOM 0 H GLY A 28 8.438 8.921 -3.649 1.00 31.03 H new ATOM 0 HA2 GLY A 28 8.654 10.883 -2.440 1.00 44.25 H new ATOM 0 HA3 GLY A 28 8.306 11.845 -3.862 1.00 44.25 H new ATOM 420 N LEU A 29 5.784 9.962 -3.108 1.00 32.13 N ATOM 421 CA LEU A 29 4.363 9.916 -2.788 1.00 35.44 C ATOM 422 C LEU A 29 4.207 9.715 -1.290 1.00 71.45 C ATOM 423 O LEU A 29 3.531 10.506 -0.636 1.00 15.24 O ATOM 424 CB LEU A 29 3.659 8.784 -3.554 1.00 23.41 C ATOM 425 CG LEU A 29 3.801 8.908 -5.078 1.00 61.34 C ATOM 426 CD1 LEU A 29 3.247 7.650 -5.741 1.00 43.45 C ATOM 427 CD2 LEU A 29 3.122 10.148 -5.662 1.00 4.10 C ATOM 0 H LEU A 29 6.138 9.092 -3.506 1.00 32.13 H new ATOM 0 HA LEU A 29 3.898 10.855 -3.089 1.00 35.44 H new ATOM 0 HB2 LEU A 29 4.070 7.827 -3.234 1.00 23.41 H new ATOM 0 HB3 LEU A 29 2.601 8.780 -3.293 1.00 23.41 H new ATOM 0 HG LEU A 29 4.865 9.020 -5.286 1.00 61.34 H new ATOM 0 HD11 LEU A 29 3.346 7.735 -6.823 1.00 43.45 H new ATOM 0 HD12 LEU A 29 3.804 6.780 -5.393 1.00 43.45 H new ATOM 0 HD13 LEU A 29 2.195 7.535 -5.481 1.00 43.45 H new ATOM 0 HD21 LEU A 29 3.265 10.167 -6.742 1.00 4.10 H new ATOM 0 HD22 LEU A 29 2.056 10.118 -5.438 1.00 4.10 H new ATOM 0 HD23 LEU A 29 3.560 11.044 -5.222 1.00 4.10 H new ATOM 439 N VAL A 30 4.822 8.657 -0.757 1.00 21.42 N ATOM 440 CA VAL A 30 4.868 8.392 0.679 1.00 40.44 C ATOM 441 C VAL A 30 6.252 7.867 1.067 1.00 31.22 C ATOM 442 O VAL A 30 6.940 7.288 0.231 1.00 20.03 O ATOM 443 CB VAL A 30 3.747 7.410 1.081 1.00 74.33 C ATOM 444 CG1 VAL A 30 2.361 8.035 0.916 1.00 12.50 C ATOM 445 CG2 VAL A 30 3.698 6.114 0.268 1.00 71.04 C ATOM 0 H VAL A 30 5.306 7.955 -1.317 1.00 21.42 H new ATOM 0 HA VAL A 30 4.697 9.320 1.224 1.00 40.44 H new ATOM 0 HB VAL A 30 3.992 7.181 2.118 1.00 74.33 H new ATOM 0 HG11 VAL A 30 1.599 7.313 1.209 1.00 12.50 H new ATOM 0 HG12 VAL A 30 2.284 8.920 1.547 1.00 12.50 H new ATOM 0 HG13 VAL A 30 2.211 8.318 -0.126 1.00 12.50 H new ATOM 0 HG21 VAL A 30 2.878 5.491 0.625 1.00 71.04 H new ATOM 0 HG22 VAL A 30 3.542 6.350 -0.785 1.00 71.04 H new ATOM 0 HG23 VAL A 30 4.639 5.576 0.383 1.00 71.04 H new ATOM 455 N ALA A 31 6.654 8.013 2.330 1.00 35.23 N ATOM 456 CA ALA A 31 7.780 7.281 2.898 1.00 63.43 C ATOM 457 C ALA A 31 7.324 5.871 3.279 1.00 15.53 C ATOM 458 O ALA A 31 6.142 5.658 3.558 1.00 2.11 O ATOM 459 CB ALA A 31 8.297 8.012 4.143 1.00 74.12 C ATOM 0 H ALA A 31 6.203 8.647 2.989 1.00 35.23 H new ATOM 0 HA ALA A 31 8.583 7.218 2.163 1.00 63.43 H new ATOM 0 HB1 ALA A 31 9.138 7.462 4.565 1.00 74.12 H new ATOM 0 HB2 ALA A 31 8.621 9.016 3.867 1.00 74.12 H new ATOM 0 HB3 ALA A 31 7.500 8.079 4.883 1.00 74.12 H new ATOM 465 N HIS A 32 8.257 4.924 3.401 1.00 40.23 N ATOM 466 CA HIS A 32 7.925 3.580 3.878 1.00 63.12 C ATOM 467 C HIS A 32 7.377 3.594 5.311 1.00 73.12 C ATOM 468 O HIS A 32 6.587 2.726 5.672 1.00 51.21 O ATOM 469 CB HIS A 32 9.105 2.616 3.694 1.00 13.10 C ATOM 470 CG HIS A 32 10.384 3.049 4.359 1.00 40.13 C ATOM 471 ND1 HIS A 32 10.816 2.667 5.608 1.00 24.34 N ATOM 472 CD2 HIS A 32 11.355 3.831 3.798 1.00 71.01 C ATOM 473 CE1 HIS A 32 12.021 3.220 5.819 1.00 44.34 C ATOM 474 NE2 HIS A 32 12.391 3.932 4.734 1.00 3.42 N ATOM 0 H HIS A 32 9.243 5.062 3.178 1.00 40.23 H new ATOM 0 HA HIS A 32 7.114 3.200 3.257 1.00 63.12 H new ATOM 0 HB2 HIS A 32 8.822 1.639 4.085 1.00 13.10 H new ATOM 0 HB3 HIS A 32 9.291 2.491 2.627 1.00 13.10 H new ATOM 0 HD2 HIS A 32 11.328 4.285 2.818 1.00 71.01 H new ATOM 0 HE1 HIS A 32 12.606 3.111 6.721 1.00 44.34 H new ATOM 0 HE2 HIS A 32 13.263 4.448 4.618 1.00 3.42 H new ATOM 482 N SER A 33 7.708 4.609 6.112 1.00 20.20 N ATOM 483 CA SER A 33 7.240 4.755 7.484 1.00 64.43 C ATOM 484 C SER A 33 6.199 5.887 7.617 1.00 21.30 C ATOM 485 O SER A 33 5.898 6.325 8.729 1.00 74.13 O ATOM 486 CB SER A 33 8.490 4.898 8.364 1.00 75.01 C ATOM 487 OG SER A 33 8.294 4.456 9.693 1.00 64.04 O ATOM 0 H SER A 33 8.323 5.367 5.814 1.00 20.20 H new ATOM 0 HA SER A 33 6.685 3.881 7.824 1.00 64.43 H new ATOM 0 HB2 SER A 33 9.307 4.331 7.917 1.00 75.01 H new ATOM 0 HB3 SER A 33 8.798 5.944 8.378 1.00 75.01 H new ATOM 0 HG SER A 33 9.124 4.571 10.202 1.00 64.04 H new ATOM 493 N ASP A 34 5.609 6.369 6.509 1.00 43.11 N ATOM 494 CA ASP A 34 4.483 7.321 6.573 1.00 64.42 C ATOM 495 C ASP A 34 3.224 6.647 7.140 1.00 23.11 C ATOM 496 O ASP A 34 2.313 7.334 7.614 1.00 73.32 O ATOM 497 CB ASP A 34 4.132 7.892 5.178 1.00 63.05 C ATOM 498 CG ASP A 34 4.544 9.348 4.940 1.00 53.14 C ATOM 499 OD1 ASP A 34 4.516 10.175 5.878 1.00 35.02 O ATOM 500 OD2 ASP A 34 4.874 9.684 3.781 1.00 3.30 O ATOM 0 H ASP A 34 5.891 6.117 5.562 1.00 43.11 H new ATOM 0 HA ASP A 34 4.804 8.132 7.226 1.00 64.42 H new ATOM 0 HB2 ASP A 34 4.607 7.269 4.420 1.00 63.05 H new ATOM 0 HB3 ASP A 34 3.055 7.808 5.031 1.00 63.05 H new ATOM 505 N LEU A 35 3.133 5.317 7.026 1.00 52.43 N ATOM 506 CA LEU A 35 1.980 4.504 7.385 1.00 63.32 C ATOM 507 C LEU A 35 2.024 4.132 8.873 1.00 73.11 C ATOM 508 O LEU A 35 3.037 4.358 9.530 1.00 43.41 O ATOM 509 CB LEU A 35 1.955 3.230 6.522 1.00 21.13 C ATOM 510 CG LEU A 35 1.937 3.390 4.987 1.00 3.24 C ATOM 511 CD1 LEU A 35 0.952 4.469 4.524 1.00 41.45 C ATOM 512 CD2 LEU A 35 3.304 3.661 4.354 1.00 33.40 C ATOM 0 H LEU A 35 3.904 4.757 6.662 1.00 52.43 H new ATOM 0 HA LEU A 35 1.073 5.081 7.202 1.00 63.32 H new ATOM 0 HB2 LEU A 35 2.828 2.633 6.784 1.00 21.13 H new ATOM 0 HB3 LEU A 35 1.076 2.652 6.807 1.00 21.13 H new ATOM 0 HG LEU A 35 1.607 2.412 4.636 1.00 3.24 H new ATOM 0 HD11 LEU A 35 0.977 4.542 3.437 1.00 41.45 H new ATOM 0 HD12 LEU A 35 -0.055 4.205 4.847 1.00 41.45 H new ATOM 0 HD13 LEU A 35 1.232 5.428 4.959 1.00 41.45 H new ATOM 0 HD21 LEU A 35 3.192 3.759 3.274 1.00 33.40 H new ATOM 0 HD22 LEU A 35 3.717 4.584 4.761 1.00 33.40 H new ATOM 0 HD23 LEU A 35 3.978 2.833 4.575 1.00 33.40 H new ATOM 524 N ASP A 36 0.968 3.489 9.385 1.00 3.24 N ATOM 525 CA ASP A 36 0.915 2.942 10.748 1.00 12.11 C ATOM 526 C ASP A 36 0.432 1.495 10.681 1.00 73.35 C ATOM 527 O ASP A 36 0.032 1.026 9.618 1.00 23.22 O ATOM 528 CB ASP A 36 -0.031 3.713 11.695 1.00 3.22 C ATOM 529 CG ASP A 36 0.042 5.241 11.683 1.00 71.13 C ATOM 530 OD1 ASP A 36 0.815 5.824 12.469 1.00 52.25 O ATOM 531 OD2 ASP A 36 -0.800 5.849 10.976 1.00 73.11 O ATOM 0 H ASP A 36 0.111 3.331 8.855 1.00 3.24 H new ATOM 0 HA ASP A 36 1.923 3.028 11.153 1.00 12.11 H new ATOM 0 HB2 ASP A 36 -1.054 3.424 11.455 1.00 3.22 H new ATOM 0 HB3 ASP A 36 0.165 3.376 12.713 1.00 3.22 H new ATOM 536 N GLU A 37 0.411 0.802 11.820 1.00 53.31 N ATOM 537 CA GLU A 37 0.157 -0.631 11.986 1.00 20.41 C ATOM 538 C GLU A 37 -1.028 -1.168 11.172 1.00 55.22 C ATOM 539 O GLU A 37 -0.896 -2.205 10.520 1.00 53.12 O ATOM 540 CB GLU A 37 -0.028 -0.883 13.495 1.00 3.41 C ATOM 541 CG GLU A 37 -0.110 -2.353 13.923 1.00 71.45 C ATOM 542 CD GLU A 37 1.250 -3.053 13.973 1.00 73.11 C ATOM 543 OE1 GLU A 37 2.095 -2.874 13.065 1.00 22.12 O ATOM 544 OE2 GLU A 37 1.483 -3.833 14.921 1.00 20.13 O ATOM 0 H GLU A 37 0.583 1.259 12.715 1.00 53.31 H new ATOM 0 HA GLU A 37 1.009 -1.182 11.588 1.00 20.41 H new ATOM 0 HB2 GLU A 37 0.801 -0.416 14.026 1.00 3.41 H new ATOM 0 HB3 GLU A 37 -0.939 -0.379 13.819 1.00 3.41 H new ATOM 0 HG2 GLU A 37 -0.576 -2.411 14.907 1.00 71.45 H new ATOM 0 HG3 GLU A 37 -0.760 -2.889 13.231 1.00 71.45 H new ATOM 551 N ARG A 38 -2.175 -0.473 11.159 1.00 13.42 N ATOM 552 CA ARG A 38 -3.356 -0.954 10.428 1.00 14.40 C ATOM 553 C ARG A 38 -3.084 -1.097 8.921 1.00 4.54 C ATOM 554 O ARG A 38 -3.790 -1.853 8.248 1.00 1.44 O ATOM 555 CB ARG A 38 -4.597 -0.071 10.675 1.00 2.23 C ATOM 556 CG ARG A 38 -4.908 0.191 12.157 1.00 20.31 C ATOM 557 CD ARG A 38 -6.367 0.620 12.394 1.00 15.13 C ATOM 558 NE ARG A 38 -7.218 -0.477 12.896 1.00 0.20 N ATOM 559 CZ ARG A 38 -8.506 -0.345 13.252 1.00 62.02 C ATOM 560 NH1 ARG A 38 -9.221 0.693 12.828 1.00 42.52 N ATOM 561 NH2 ARG A 38 -9.083 -1.247 14.034 1.00 35.02 N ATOM 0 H ARG A 38 -2.309 0.416 11.641 1.00 13.42 H new ATOM 0 HA ARG A 38 -3.573 -1.946 10.825 1.00 14.40 H new ATOM 0 HB2 ARG A 38 -4.453 0.885 10.173 1.00 2.23 H new ATOM 0 HB3 ARG A 38 -5.463 -0.546 10.214 1.00 2.23 H new ATOM 0 HG2 ARG A 38 -4.702 -0.712 12.732 1.00 20.31 H new ATOM 0 HG3 ARG A 38 -4.241 0.967 12.532 1.00 20.31 H new ATOM 0 HD2 ARG A 38 -6.386 1.443 13.108 1.00 15.13 H new ATOM 0 HD3 ARG A 38 -6.785 0.998 11.461 1.00 15.13 H new ATOM 0 HE ARG A 38 -6.797 -1.402 12.978 1.00 0.20 H new ATOM 0 HH11 ARG A 38 -8.792 1.397 12.227 1.00 42.52 H new ATOM 0 HH12 ARG A 38 -10.199 0.785 13.103 1.00 42.52 H new ATOM 0 HH21 ARG A 38 -8.548 -2.048 14.369 1.00 35.02 H new ATOM 0 HH22 ARG A 38 -10.062 -1.140 14.300 1.00 35.02 H new ATOM 575 N ALA A 39 -2.078 -0.402 8.378 1.00 22.01 N ATOM 576 CA ALA A 39 -1.617 -0.565 7.008 1.00 22.01 C ATOM 577 C ALA A 39 -0.990 -1.950 6.828 1.00 20.02 C ATOM 578 O ALA A 39 -1.470 -2.718 5.997 1.00 2.20 O ATOM 579 CB ALA A 39 -0.655 0.563 6.620 1.00 40.11 C ATOM 0 H ALA A 39 -1.555 0.304 8.896 1.00 22.01 H new ATOM 0 HA ALA A 39 -2.470 -0.498 6.332 1.00 22.01 H new ATOM 0 HB1 ALA A 39 -0.323 0.421 5.592 1.00 40.11 H new ATOM 0 HB2 ALA A 39 -1.165 1.522 6.707 1.00 40.11 H new ATOM 0 HB3 ALA A 39 0.209 0.550 7.285 1.00 40.11 H new ATOM 585 N ILE A 40 0.053 -2.271 7.602 1.00 60.14 N ATOM 586 CA ILE A 40 0.761 -3.555 7.549 1.00 62.15 C ATOM 587 C ILE A 40 -0.208 -4.725 7.771 1.00 31.24 C ATOM 588 O ILE A 40 -0.177 -5.713 7.037 1.00 53.32 O ATOM 589 CB ILE A 40 1.915 -3.539 8.584 1.00 33.24 C ATOM 590 CG1 ILE A 40 2.928 -2.405 8.289 1.00 34.43 C ATOM 591 CG2 ILE A 40 2.679 -4.874 8.614 1.00 44.45 C ATOM 592 CD1 ILE A 40 2.708 -1.130 9.102 1.00 42.24 C ATOM 0 H ILE A 40 0.437 -1.631 8.298 1.00 60.14 H new ATOM 0 HA ILE A 40 1.192 -3.699 6.558 1.00 62.15 H new ATOM 0 HB ILE A 40 1.446 -3.370 9.553 1.00 33.24 H new ATOM 0 HG12 ILE A 40 3.935 -2.775 8.483 1.00 34.43 H new ATOM 0 HG13 ILE A 40 2.878 -2.158 7.229 1.00 34.43 H new ATOM 0 HG21 ILE A 40 3.479 -4.819 9.353 1.00 44.45 H new ATOM 0 HG22 ILE A 40 1.994 -5.679 8.880 1.00 44.45 H new ATOM 0 HG23 ILE A 40 3.106 -5.071 7.631 1.00 44.45 H new ATOM 0 HD11 ILE A 40 3.462 -0.391 8.831 1.00 42.24 H new ATOM 0 HD12 ILE A 40 1.716 -0.731 8.891 1.00 42.24 H new ATOM 0 HD13 ILE A 40 2.789 -1.358 10.165 1.00 42.24 H new ATOM 604 N GLU A 41 -1.090 -4.605 8.761 1.00 51.51 N ATOM 605 CA GLU A 41 -2.119 -5.587 9.079 1.00 23.23 C ATOM 606 C GLU A 41 -2.996 -5.879 7.856 1.00 72.42 C ATOM 607 O GLU A 41 -3.247 -7.041 7.523 1.00 2.31 O ATOM 608 CB GLU A 41 -2.928 -4.996 10.244 1.00 41.11 C ATOM 609 CG GLU A 41 -4.260 -5.683 10.557 1.00 63.32 C ATOM 610 CD GLU A 41 -5.009 -4.856 11.592 1.00 73.32 C ATOM 611 OE1 GLU A 41 -4.718 -4.993 12.804 1.00 13.51 O ATOM 612 OE2 GLU A 41 -5.868 -4.035 11.189 1.00 31.21 O ATOM 0 H GLU A 41 -1.107 -3.796 9.382 1.00 51.51 H new ATOM 0 HA GLU A 41 -1.685 -6.546 9.364 1.00 23.23 H new ATOM 0 HB2 GLU A 41 -2.309 -5.024 11.141 1.00 41.11 H new ATOM 0 HB3 GLU A 41 -3.126 -3.947 10.026 1.00 41.11 H new ATOM 0 HG2 GLU A 41 -4.856 -5.781 9.650 1.00 63.32 H new ATOM 0 HG3 GLU A 41 -4.085 -6.691 10.934 1.00 63.32 H new ATOM 619 N ALA A 42 -3.472 -4.821 7.192 1.00 72.11 N ATOM 620 CA ALA A 42 -4.359 -4.949 6.048 1.00 22.03 C ATOM 621 C ALA A 42 -3.642 -5.577 4.869 1.00 21.11 C ATOM 622 O ALA A 42 -4.256 -6.369 4.170 1.00 54.15 O ATOM 623 CB ALA A 42 -4.848 -3.583 5.600 1.00 72.33 C ATOM 0 H ALA A 42 -3.249 -3.856 7.438 1.00 72.11 H new ATOM 0 HA ALA A 42 -5.193 -5.577 6.361 1.00 22.03 H new ATOM 0 HB1 ALA A 42 -5.511 -3.697 4.742 1.00 72.33 H new ATOM 0 HB2 ALA A 42 -5.389 -3.105 6.416 1.00 72.33 H new ATOM 0 HB3 ALA A 42 -3.995 -2.965 5.319 1.00 72.33 H new ATOM 629 N LEU A 43 -2.375 -5.224 4.630 1.00 40.52 N ATOM 630 CA LEU A 43 -1.602 -5.783 3.528 1.00 24.24 C ATOM 631 C LEU A 43 -1.620 -7.314 3.555 1.00 33.23 C ATOM 632 O LEU A 43 -1.737 -7.924 2.492 1.00 74.22 O ATOM 633 CB LEU A 43 -0.165 -5.234 3.547 1.00 53.15 C ATOM 634 CG LEU A 43 -0.022 -3.886 2.819 1.00 1.54 C ATOM 635 CD1 LEU A 43 1.325 -3.228 3.138 1.00 74.34 C ATOM 636 CD2 LEU A 43 -0.151 -4.026 1.293 1.00 44.31 C ATOM 0 H LEU A 43 -1.863 -4.546 5.194 1.00 40.52 H new ATOM 0 HA LEU A 43 -2.069 -5.474 2.592 1.00 24.24 H new ATOM 0 HB2 LEU A 43 0.159 -5.117 4.581 1.00 53.15 H new ATOM 0 HB3 LEU A 43 0.501 -5.962 3.084 1.00 53.15 H new ATOM 0 HG LEU A 43 -0.838 -3.261 3.181 1.00 1.54 H new ATOM 0 HD11 LEU A 43 1.399 -2.277 2.610 1.00 74.34 H new ATOM 0 HD12 LEU A 43 1.400 -3.054 4.211 1.00 74.34 H new ATOM 0 HD13 LEU A 43 2.135 -3.884 2.819 1.00 74.34 H new ATOM 0 HD21 LEU A 43 -0.043 -3.046 0.827 1.00 44.31 H new ATOM 0 HD22 LEU A 43 0.627 -4.692 0.922 1.00 44.31 H new ATOM 0 HD23 LEU A 43 -1.129 -4.438 1.047 1.00 44.31 H new ATOM 648 N LYS A 44 -1.575 -7.938 4.740 1.00 62.34 N ATOM 649 CA LYS A 44 -1.706 -9.390 4.858 1.00 63.15 C ATOM 650 C LYS A 44 -3.115 -9.901 4.516 1.00 23.32 C ATOM 651 O LYS A 44 -3.244 -11.040 4.062 1.00 1.52 O ATOM 652 CB LYS A 44 -1.309 -9.861 6.268 1.00 72.05 C ATOM 653 CG LYS A 44 0.143 -10.335 6.331 1.00 23.13 C ATOM 654 CD LYS A 44 1.215 -9.251 6.460 1.00 3.40 C ATOM 655 CE LYS A 44 1.297 -8.611 7.854 1.00 0.14 C ATOM 656 NZ LYS A 44 1.787 -9.538 8.899 1.00 23.14 N ATOM 0 H LYS A 44 -1.449 -7.456 5.630 1.00 62.34 H new ATOM 0 HA LYS A 44 -1.023 -9.815 4.122 1.00 63.15 H new ATOM 0 HB2 LYS A 44 -1.454 -9.045 6.976 1.00 72.05 H new ATOM 0 HB3 LYS A 44 -1.968 -10.672 6.577 1.00 72.05 H new ATOM 0 HG2 LYS A 44 0.243 -11.014 7.177 1.00 23.13 H new ATOM 0 HG3 LYS A 44 0.351 -10.914 5.431 1.00 23.13 H new ATOM 0 HD2 LYS A 44 2.185 -9.683 6.213 1.00 3.40 H new ATOM 0 HD3 LYS A 44 1.017 -8.471 5.725 1.00 3.40 H new ATOM 0 HE2 LYS A 44 1.957 -7.744 7.809 1.00 0.14 H new ATOM 0 HE3 LYS A 44 0.310 -8.246 8.137 1.00 0.14 H new ATOM 0 HZ1 LYS A 44 1.915 -9.019 9.791 1.00 23.14 H new ATOM 0 HZ2 LYS A 44 1.094 -10.301 9.039 1.00 23.14 H new ATOM 0 HZ3 LYS A 44 2.696 -9.946 8.602 1.00 23.14 H new ATOM 670 N GLU A 45 -4.177 -9.114 4.731 1.00 22.42 N ATOM 671 CA GLU A 45 -5.541 -9.584 4.470 1.00 1.51 C ATOM 672 C GLU A 45 -5.777 -9.809 2.973 1.00 71.24 C ATOM 673 O GLU A 45 -6.625 -10.620 2.606 1.00 30.33 O ATOM 674 CB GLU A 45 -6.629 -8.671 5.077 1.00 44.41 C ATOM 675 CG GLU A 45 -6.741 -8.756 6.610 1.00 32.23 C ATOM 676 CD GLU A 45 -8.089 -8.271 7.186 1.00 52.34 C ATOM 677 OE1 GLU A 45 -8.466 -7.081 7.036 1.00 22.30 O ATOM 678 OE2 GLU A 45 -8.752 -9.059 7.900 1.00 2.12 O ATOM 0 H GLU A 45 -4.118 -8.158 5.082 1.00 22.42 H new ATOM 0 HA GLU A 45 -5.631 -10.543 4.979 1.00 1.51 H new ATOM 0 HB2 GLU A 45 -6.420 -7.639 4.796 1.00 44.41 H new ATOM 0 HB3 GLU A 45 -7.592 -8.932 4.639 1.00 44.41 H new ATOM 0 HG2 GLU A 45 -6.582 -9.790 6.916 1.00 32.23 H new ATOM 0 HG3 GLU A 45 -5.939 -8.166 7.053 1.00 32.23 H new ATOM 685 N PHE A 46 -4.990 -9.191 2.095 1.00 11.42 N ATOM 686 CA PHE A 46 -5.102 -9.331 0.658 1.00 3.13 C ATOM 687 C PHE A 46 -4.276 -10.506 0.161 1.00 73.03 C ATOM 688 O PHE A 46 -3.160 -10.752 0.616 1.00 63.12 O ATOM 689 CB PHE A 46 -4.652 -8.047 -0.035 1.00 2.54 C ATOM 690 CG PHE A 46 -5.484 -6.845 0.350 1.00 45.55 C ATOM 691 CD1 PHE A 46 -6.798 -6.711 -0.129 1.00 3.41 C ATOM 692 CD2 PHE A 46 -4.969 -5.901 1.251 1.00 34.34 C ATOM 693 CE1 PHE A 46 -7.607 -5.652 0.313 1.00 43.54 C ATOM 694 CE2 PHE A 46 -5.779 -4.853 1.712 1.00 31.33 C ATOM 695 CZ PHE A 46 -7.102 -4.735 1.251 1.00 61.32 C ATOM 0 H PHE A 46 -4.238 -8.563 2.379 1.00 11.42 H new ATOM 0 HA PHE A 46 -6.148 -9.519 0.416 1.00 3.13 H new ATOM 0 HB2 PHE A 46 -3.608 -7.854 0.213 1.00 2.54 H new ATOM 0 HB3 PHE A 46 -4.703 -8.186 -1.115 1.00 2.54 H new ATOM 0 HD1 PHE A 46 -7.187 -7.425 -0.840 1.00 3.41 H new ATOM 0 HD2 PHE A 46 -3.947 -5.981 1.590 1.00 34.34 H new ATOM 0 HE1 PHE A 46 -8.612 -5.543 -0.066 1.00 43.54 H new ATOM 0 HE2 PHE A 46 -5.387 -4.138 2.420 1.00 31.33 H new ATOM 0 HZ PHE A 46 -7.732 -3.938 1.618 1.00 61.32 H new ATOM 705 N ASN A 47 -4.831 -11.172 -0.843 1.00 64.02 N ATOM 706 CA ASN A 47 -4.163 -12.103 -1.749 1.00 42.44 C ATOM 707 C ASN A 47 -3.187 -11.376 -2.670 1.00 54.25 C ATOM 708 O ASN A 47 -3.079 -10.150 -2.658 1.00 45.42 O ATOM 709 CB ASN A 47 -5.192 -12.834 -2.631 1.00 51.15 C ATOM 710 CG ASN A 47 -5.995 -11.883 -3.508 1.00 4.41 C ATOM 711 OD1 ASN A 47 -6.588 -10.930 -3.013 1.00 30.00 O ATOM 712 ND2 ASN A 47 -6.075 -12.104 -4.803 1.00 61.12 N ATOM 0 H ASN A 47 -5.822 -11.072 -1.062 1.00 64.02 H new ATOM 0 HA ASN A 47 -3.620 -12.816 -1.128 1.00 42.44 H new ATOM 0 HB2 ASN A 47 -4.675 -13.556 -3.263 1.00 51.15 H new ATOM 0 HB3 ASN A 47 -5.874 -13.398 -1.995 1.00 51.15 H new ATOM 0 HD21 ASN A 47 -6.629 -11.483 -5.393 1.00 61.12 H new ATOM 0 HD22 ASN A 47 -5.583 -12.896 -5.217 1.00 61.12 H new ATOM 719 N GLU A 48 -2.507 -12.152 -3.513 1.00 1.34 N ATOM 720 CA GLU A 48 -1.553 -11.720 -4.510 1.00 25.30 C ATOM 721 C GLU A 48 -2.144 -10.609 -5.390 1.00 21.43 C ATOM 722 O GLU A 48 -1.682 -9.467 -5.376 1.00 11.30 O ATOM 723 CB GLU A 48 -1.171 -12.976 -5.320 1.00 41.52 C ATOM 724 CG GLU A 48 0.155 -12.770 -6.045 1.00 43.52 C ATOM 725 CD GLU A 48 0.536 -13.915 -6.999 1.00 10.40 C ATOM 726 OE1 GLU A 48 0.107 -15.072 -6.779 1.00 11.14 O ATOM 727 OE2 GLU A 48 1.246 -13.685 -8.000 1.00 34.10 O ATOM 0 H GLU A 48 -2.622 -13.165 -3.510 1.00 1.34 H new ATOM 0 HA GLU A 48 -0.664 -11.285 -4.054 1.00 25.30 H new ATOM 0 HB2 GLU A 48 -1.097 -13.835 -4.654 1.00 41.52 H new ATOM 0 HB3 GLU A 48 -1.955 -13.200 -6.043 1.00 41.52 H new ATOM 0 HG2 GLU A 48 0.106 -11.841 -6.612 1.00 43.52 H new ATOM 0 HG3 GLU A 48 0.946 -12.650 -5.305 1.00 43.52 H new ATOM 734 N ASP A 49 -3.177 -10.948 -6.157 1.00 72.45 N ATOM 735 CA ASP A 49 -3.751 -10.075 -7.174 1.00 11.44 C ATOM 736 C ASP A 49 -4.478 -8.897 -6.524 1.00 51.43 C ATOM 737 O ASP A 49 -4.421 -7.773 -7.031 1.00 72.35 O ATOM 738 CB ASP A 49 -4.709 -10.889 -8.054 1.00 13.53 C ATOM 739 CG ASP A 49 -4.668 -10.449 -9.515 1.00 51.41 C ATOM 740 OD1 ASP A 49 -3.848 -11.017 -10.273 1.00 73.13 O ATOM 741 OD2 ASP A 49 -5.488 -9.581 -9.906 1.00 30.04 O ATOM 0 H ASP A 49 -3.645 -11.851 -6.087 1.00 72.45 H new ATOM 0 HA ASP A 49 -2.952 -9.669 -7.795 1.00 11.44 H new ATOM 0 HB2 ASP A 49 -4.450 -11.946 -7.988 1.00 13.53 H new ATOM 0 HB3 ASP A 49 -5.725 -10.785 -7.674 1.00 13.53 H new ATOM 746 N GLY A 50 -5.157 -9.137 -5.398 1.00 23.23 N ATOM 747 CA GLY A 50 -5.958 -8.120 -4.740 1.00 2.44 C ATOM 748 C GLY A 50 -5.083 -7.051 -4.099 1.00 3.42 C ATOM 749 O GLY A 50 -5.430 -5.867 -4.145 1.00 33.33 O ATOM 0 H GLY A 50 -5.162 -10.040 -4.925 1.00 23.23 H new ATOM 0 HA2 GLY A 50 -6.628 -7.657 -5.465 1.00 2.44 H new ATOM 0 HA3 GLY A 50 -6.584 -8.585 -3.978 1.00 2.44 H new ATOM 753 N ALA A 51 -3.936 -7.445 -3.537 1.00 24.23 N ATOM 754 CA ALA A 51 -2.962 -6.504 -3.009 1.00 32.40 C ATOM 755 C ALA A 51 -2.430 -5.634 -4.141 1.00 42.15 C ATOM 756 O ALA A 51 -2.359 -4.419 -3.994 1.00 71.12 O ATOM 757 CB ALA A 51 -1.814 -7.253 -2.335 1.00 1.11 C ATOM 0 H ALA A 51 -3.664 -8.423 -3.439 1.00 24.23 H new ATOM 0 HA ALA A 51 -3.444 -5.870 -2.265 1.00 32.40 H new ATOM 0 HB1 ALA A 51 -1.092 -6.536 -1.944 1.00 1.11 H new ATOM 0 HB2 ALA A 51 -2.205 -7.858 -1.517 1.00 1.11 H new ATOM 0 HB3 ALA A 51 -1.325 -7.900 -3.063 1.00 1.11 H new ATOM 763 N LEU A 52 -2.080 -6.230 -5.286 1.00 54.55 N ATOM 764 CA LEU A 52 -1.555 -5.476 -6.425 1.00 52.41 C ATOM 765 C LEU A 52 -2.530 -4.378 -6.853 1.00 4.20 C ATOM 766 O LEU A 52 -2.098 -3.269 -7.155 1.00 44.35 O ATOM 767 CB LEU A 52 -1.227 -6.421 -7.593 1.00 44.25 C ATOM 768 CG LEU A 52 0.069 -7.215 -7.356 1.00 72.14 C ATOM 769 CD1 LEU A 52 0.136 -8.441 -8.272 1.00 22.41 C ATOM 770 CD2 LEU A 52 1.330 -6.373 -7.560 1.00 42.31 C ATOM 0 H LEU A 52 -2.152 -7.235 -5.447 1.00 54.55 H new ATOM 0 HA LEU A 52 -0.630 -4.989 -6.117 1.00 52.41 H new ATOM 0 HB2 LEU A 52 -2.054 -7.116 -7.739 1.00 44.25 H new ATOM 0 HB3 LEU A 52 -1.132 -5.841 -8.511 1.00 44.25 H new ATOM 0 HG LEU A 52 0.039 -7.529 -6.313 1.00 72.14 H new ATOM 0 HD11 LEU A 52 1.062 -8.985 -8.085 1.00 22.41 H new ATOM 0 HD12 LEU A 52 -0.715 -9.092 -8.071 1.00 22.41 H new ATOM 0 HD13 LEU A 52 0.109 -8.119 -9.313 1.00 22.41 H new ATOM 0 HD21 LEU A 52 2.211 -6.988 -7.379 1.00 42.31 H new ATOM 0 HD22 LEU A 52 1.355 -5.996 -8.583 1.00 42.31 H new ATOM 0 HD23 LEU A 52 1.324 -5.534 -6.864 1.00 42.31 H new ATOM 782 N ALA A 53 -3.838 -4.641 -6.809 1.00 72.35 N ATOM 783 CA ALA A 53 -4.838 -3.625 -7.107 1.00 22.44 C ATOM 784 C ALA A 53 -4.802 -2.460 -6.104 1.00 12.53 C ATOM 785 O ALA A 53 -4.757 -1.302 -6.519 1.00 61.44 O ATOM 786 CB ALA A 53 -6.216 -4.278 -7.170 1.00 62.11 C ATOM 0 H ALA A 53 -4.226 -5.553 -6.569 1.00 72.35 H new ATOM 0 HA ALA A 53 -4.608 -3.187 -8.078 1.00 22.44 H new ATOM 0 HB1 ALA A 53 -6.968 -3.521 -7.393 1.00 62.11 H new ATOM 0 HB2 ALA A 53 -6.223 -5.038 -7.952 1.00 62.11 H new ATOM 0 HB3 ALA A 53 -6.443 -4.743 -6.210 1.00 62.11 H new ATOM 792 N VAL A 54 -4.762 -2.737 -4.795 1.00 44.45 N ATOM 793 CA VAL A 54 -4.594 -1.707 -3.762 1.00 10.10 C ATOM 794 C VAL A 54 -3.379 -0.823 -4.084 1.00 72.31 C ATOM 795 O VAL A 54 -3.422 0.391 -3.857 1.00 0.34 O ATOM 796 CB VAL A 54 -4.472 -2.388 -2.378 1.00 14.12 C ATOM 797 CG1 VAL A 54 -3.956 -1.506 -1.243 1.00 75.22 C ATOM 798 CG2 VAL A 54 -5.799 -2.975 -1.887 1.00 14.14 C ATOM 0 H VAL A 54 -4.845 -3.683 -4.422 1.00 44.45 H new ATOM 0 HA VAL A 54 -5.466 -1.053 -3.741 1.00 10.10 H new ATOM 0 HB VAL A 54 -3.732 -3.161 -2.584 1.00 14.12 H new ATOM 0 HG11 VAL A 54 -3.912 -2.087 -0.322 1.00 75.22 H new ATOM 0 HG12 VAL A 54 -2.959 -1.141 -1.490 1.00 75.22 H new ATOM 0 HG13 VAL A 54 -4.628 -0.659 -1.106 1.00 75.22 H new ATOM 0 HG21 VAL A 54 -5.653 -3.440 -0.912 1.00 14.14 H new ATOM 0 HG22 VAL A 54 -6.540 -2.180 -1.803 1.00 14.14 H new ATOM 0 HG23 VAL A 54 -6.150 -3.724 -2.597 1.00 14.14 H new ATOM 808 N LEU A 55 -2.298 -1.414 -4.600 1.00 34.00 N ATOM 809 CA LEU A 55 -1.059 -0.710 -4.875 1.00 41.52 C ATOM 810 C LEU A 55 -1.229 0.180 -6.094 1.00 52.15 C ATOM 811 O LEU A 55 -0.972 1.382 -5.995 1.00 2.22 O ATOM 812 CB LEU A 55 0.123 -1.671 -5.066 1.00 10.21 C ATOM 813 CG LEU A 55 0.464 -2.525 -3.832 1.00 61.31 C ATOM 814 CD1 LEU A 55 1.761 -3.277 -4.121 1.00 45.41 C ATOM 815 CD2 LEU A 55 0.588 -1.712 -2.539 1.00 12.50 C ATOM 0 H LEU A 55 -2.266 -2.405 -4.838 1.00 34.00 H new ATOM 0 HA LEU A 55 -0.829 -0.092 -4.007 1.00 41.52 H new ATOM 0 HB2 LEU A 55 -0.098 -2.336 -5.901 1.00 10.21 H new ATOM 0 HB3 LEU A 55 1.003 -1.092 -5.344 1.00 10.21 H new ATOM 0 HG LEU A 55 -0.362 -3.216 -3.660 1.00 61.31 H new ATOM 0 HD11 LEU A 55 2.025 -3.891 -3.260 1.00 45.41 H new ATOM 0 HD12 LEU A 55 1.625 -3.915 -4.994 1.00 45.41 H new ATOM 0 HD13 LEU A 55 2.560 -2.562 -4.316 1.00 45.41 H new ATOM 0 HD21 LEU A 55 0.830 -2.379 -1.712 1.00 12.50 H new ATOM 0 HD22 LEU A 55 1.379 -0.970 -2.650 1.00 12.50 H new ATOM 0 HD23 LEU A 55 -0.356 -1.207 -2.334 1.00 12.50 H new ATOM 827 N GLN A 56 -1.685 -0.398 -7.211 1.00 53.13 N ATOM 828 CA GLN A 56 -1.823 0.308 -8.476 1.00 2.44 C ATOM 829 C GLN A 56 -2.686 1.551 -8.291 1.00 1.34 C ATOM 830 O GLN A 56 -2.322 2.632 -8.761 1.00 10.44 O ATOM 831 CB GLN A 56 -2.290 -0.642 -9.607 1.00 2.12 C ATOM 832 CG GLN A 56 -3.794 -0.941 -9.784 1.00 64.25 C ATOM 833 CD GLN A 56 -4.643 0.206 -10.335 1.00 13.32 C ATOM 834 OE1 GLN A 56 -4.160 1.055 -11.071 1.00 45.53 O ATOM 835 NE2 GLN A 56 -5.925 0.258 -10.005 1.00 3.43 N ATOM 0 H GLN A 56 -1.969 -1.377 -7.256 1.00 53.13 H new ATOM 0 HA GLN A 56 -0.847 0.665 -8.805 1.00 2.44 H new ATOM 0 HB2 GLN A 56 -1.927 -0.230 -10.549 1.00 2.12 H new ATOM 0 HB3 GLN A 56 -1.784 -1.596 -9.460 1.00 2.12 H new ATOM 0 HG2 GLN A 56 -3.898 -1.797 -10.450 1.00 64.25 H new ATOM 0 HG3 GLN A 56 -4.202 -1.238 -8.818 1.00 64.25 H new ATOM 0 HE21 GLN A 56 -6.323 -0.453 -9.391 1.00 3.43 H new ATOM 0 HE22 GLN A 56 -6.514 1.009 -10.365 1.00 3.43 H new ATOM 844 N GLN A 57 -3.789 1.414 -7.544 1.00 63.25 N ATOM 845 CA GLN A 57 -4.749 2.490 -7.390 1.00 62.14 C ATOM 846 C GLN A 57 -4.160 3.634 -6.567 1.00 63.43 C ATOM 847 O GLN A 57 -4.542 4.783 -6.761 1.00 41.55 O ATOM 848 CB GLN A 57 -5.999 1.923 -6.704 1.00 61.01 C ATOM 849 CG GLN A 57 -7.204 2.840 -6.907 1.00 42.41 C ATOM 850 CD GLN A 57 -8.431 2.373 -6.131 1.00 1.11 C ATOM 851 OE1 GLN A 57 -8.561 2.773 -4.883 1.00 2.22 O flip ATOM 852 NE2 GLN A 57 -9.288 1.656 -6.629 1.00 23.00 N flip ATOM 0 H GLN A 57 -4.030 0.561 -7.039 1.00 63.25 H new ATOM 0 HA GLN A 57 -5.008 2.893 -8.369 1.00 62.14 H new ATOM 0 HB2 GLN A 57 -6.220 0.934 -7.105 1.00 61.01 H new ATOM 0 HB3 GLN A 57 -5.808 1.800 -5.638 1.00 61.01 H new ATOM 0 HG2 GLN A 57 -6.944 3.851 -6.594 1.00 42.41 H new ATOM 0 HG3 GLN A 57 -7.446 2.887 -7.969 1.00 42.41 H new ATOM 0 HE21 GLN A 57 -9.193 1.343 -7.595 1.00 23.00 H new ATOM 0 HE22 GLN A 57 -10.098 1.371 -6.078 1.00 23.00 H new ATOM 861 N PHE A 58 -3.263 3.316 -5.628 1.00 55.11 N ATOM 862 CA PHE A 58 -2.628 4.283 -4.743 1.00 71.13 C ATOM 863 C PHE A 58 -1.590 5.122 -5.485 1.00 15.14 C ATOM 864 O PHE A 58 -1.623 6.346 -5.359 1.00 23.43 O ATOM 865 CB PHE A 58 -1.973 3.590 -3.551 1.00 52.12 C ATOM 866 CG PHE A 58 -1.531 4.508 -2.417 1.00 71.33 C ATOM 867 CD1 PHE A 58 -2.369 5.533 -1.926 1.00 61.32 C ATOM 868 CD2 PHE A 58 -0.276 4.310 -1.813 1.00 1.31 C ATOM 869 CE1 PHE A 58 -1.941 6.357 -0.871 1.00 3.33 C ATOM 870 CE2 PHE A 58 0.144 5.124 -0.748 1.00 75.32 C ATOM 871 CZ PHE A 58 -0.685 6.154 -0.283 1.00 24.11 C ATOM 0 H PHE A 58 -2.955 2.358 -5.463 1.00 55.11 H new ATOM 0 HA PHE A 58 -3.413 4.946 -4.378 1.00 71.13 H new ATOM 0 HB2 PHE A 58 -2.673 2.858 -3.150 1.00 52.12 H new ATOM 0 HB3 PHE A 58 -1.103 3.038 -3.907 1.00 52.12 H new ATOM 0 HD1 PHE A 58 -3.345 5.685 -2.364 1.00 61.32 H new ATOM 0 HD2 PHE A 58 0.372 3.524 -2.172 1.00 1.31 H new ATOM 0 HE1 PHE A 58 -2.582 7.149 -0.512 1.00 3.33 H new ATOM 0 HE2 PHE A 58 1.106 4.956 -0.287 1.00 75.32 H new ATOM 0 HZ PHE A 58 -0.357 6.790 0.526 1.00 24.11 H new ATOM 881 N LYS A 59 -0.665 4.520 -6.246 1.00 43.55 N ATOM 882 CA LYS A 59 0.266 5.324 -7.045 1.00 34.43 C ATOM 883 C LYS A 59 -0.514 6.172 -8.047 1.00 23.42 C ATOM 884 O LYS A 59 -0.170 7.338 -8.245 1.00 31.10 O ATOM 885 CB LYS A 59 1.318 4.465 -7.763 1.00 44.23 C ATOM 886 CG LYS A 59 2.483 4.012 -6.875 1.00 12.10 C ATOM 887 CD LYS A 59 3.830 3.867 -7.618 1.00 51.21 C ATOM 888 CE LYS A 59 4.645 5.171 -7.617 1.00 44.31 C ATOM 889 NZ LYS A 59 5.990 5.013 -8.228 1.00 1.12 N ATOM 0 H LYS A 59 -0.543 3.510 -6.324 1.00 43.55 H new ATOM 0 HA LYS A 59 0.810 5.976 -6.361 1.00 34.43 H new ATOM 0 HB2 LYS A 59 0.828 3.583 -8.176 1.00 44.23 H new ATOM 0 HB3 LYS A 59 1.718 5.031 -8.604 1.00 44.23 H new ATOM 0 HG2 LYS A 59 2.605 4.728 -6.062 1.00 12.10 H new ATOM 0 HG3 LYS A 59 2.227 3.055 -6.421 1.00 12.10 H new ATOM 0 HD2 LYS A 59 4.416 3.076 -7.151 1.00 51.21 H new ATOM 0 HD3 LYS A 59 3.643 3.560 -8.647 1.00 51.21 H new ATOM 0 HE2 LYS A 59 4.093 5.939 -8.159 1.00 44.31 H new ATOM 0 HE3 LYS A 59 4.757 5.523 -6.591 1.00 44.31 H new ATOM 0 HZ1 LYS A 59 6.225 5.865 -8.776 1.00 1.12 H new ATOM 0 HZ2 LYS A 59 6.698 4.877 -7.478 1.00 1.12 H new ATOM 0 HZ3 LYS A 59 5.990 4.186 -8.858 1.00 1.12 H new ATOM 903 N ASP A 60 -1.577 5.627 -8.640 1.00 70.04 N ATOM 904 CA ASP A 60 -2.403 6.385 -9.575 1.00 73.31 C ATOM 905 C ASP A 60 -3.442 7.274 -8.878 1.00 63.34 C ATOM 906 O ASP A 60 -4.274 7.868 -9.564 1.00 15.23 O ATOM 907 CB ASP A 60 -3.071 5.452 -10.596 1.00 74.33 C ATOM 908 CG ASP A 60 -3.295 6.191 -11.920 1.00 23.10 C ATOM 909 OD1 ASP A 60 -2.298 6.702 -12.493 1.00 54.35 O ATOM 910 OD2 ASP A 60 -4.439 6.255 -12.428 1.00 41.35 O ATOM 0 H ASP A 60 -1.884 4.666 -8.489 1.00 70.04 H new ATOM 0 HA ASP A 60 -1.730 7.060 -10.105 1.00 73.31 H new ATOM 0 HB2 ASP A 60 -2.446 4.575 -10.762 1.00 74.33 H new ATOM 0 HB3 ASP A 60 -4.024 5.095 -10.205 1.00 74.33 H new ATOM 915 N SER A 61 -3.446 7.376 -7.542 1.00 34.43 N ATOM 916 CA SER A 61 -4.429 8.197 -6.840 1.00 24.22 C ATOM 917 C SER A 61 -4.115 9.681 -6.988 1.00 4.54 C ATOM 918 O SER A 61 -3.066 10.072 -7.512 1.00 13.40 O ATOM 919 CB SER A 61 -4.629 7.763 -5.375 1.00 31.23 C ATOM 920 OG SER A 61 -3.499 7.949 -4.551 1.00 4.10 O ATOM 0 H SER A 61 -2.781 6.901 -6.932 1.00 34.43 H new ATOM 0 HA SER A 61 -5.393 8.030 -7.320 1.00 24.22 H new ATOM 0 HB2 SER A 61 -5.465 8.321 -4.955 1.00 31.23 H new ATOM 0 HB3 SER A 61 -4.907 6.709 -5.356 1.00 31.23 H new ATOM 0 HG SER A 61 -2.848 7.237 -4.723 1.00 4.10 H new ATOM 926 N ASP A 62 -5.053 10.515 -6.551 1.00 21.00 N ATOM 927 CA ASP A 62 -4.872 11.946 -6.482 1.00 41.23 C ATOM 928 C ASP A 62 -4.465 12.299 -5.060 1.00 0.24 C ATOM 929 O ASP A 62 -5.291 12.360 -4.147 1.00 40.11 O ATOM 930 CB ASP A 62 -6.129 12.689 -6.919 1.00 42.23 C ATOM 931 CG ASP A 62 -5.732 14.137 -7.151 1.00 1.41 C ATOM 932 OD1 ASP A 62 -5.506 14.863 -6.158 1.00 33.12 O ATOM 933 OD2 ASP A 62 -5.571 14.503 -8.339 1.00 11.14 O ATOM 0 H ASP A 62 -5.970 10.203 -6.232 1.00 21.00 H new ATOM 0 HA ASP A 62 -4.088 12.258 -7.172 1.00 41.23 H new ATOM 0 HB2 ASP A 62 -6.539 12.251 -7.829 1.00 42.23 H new ATOM 0 HB3 ASP A 62 -6.903 12.619 -6.155 1.00 42.23 H new ATOM 938 N LEU A 63 -3.165 12.480 -4.853 1.00 75.34 N ATOM 939 CA LEU A 63 -2.578 12.864 -3.574 1.00 4.52 C ATOM 940 C LEU A 63 -2.299 14.371 -3.561 1.00 32.22 C ATOM 941 O LEU A 63 -1.396 14.822 -2.854 1.00 74.25 O ATOM 942 CB LEU A 63 -1.313 12.020 -3.299 1.00 14.20 C ATOM 943 CG LEU A 63 -1.599 10.513 -3.145 1.00 44.51 C ATOM 944 CD1 LEU A 63 -0.288 9.727 -3.142 1.00 11.31 C ATOM 945 CD2 LEU A 63 -2.345 10.179 -1.849 1.00 62.13 C ATOM 0 H LEU A 63 -2.471 12.360 -5.591 1.00 75.34 H new ATOM 0 HA LEU A 63 -3.279 12.660 -2.765 1.00 4.52 H new ATOM 0 HB2 LEU A 63 -0.605 12.166 -4.115 1.00 14.20 H new ATOM 0 HB3 LEU A 63 -0.833 12.385 -2.391 1.00 14.20 H new ATOM 0 HG LEU A 63 -2.228 10.236 -3.991 1.00 44.51 H new ATOM 0 HD11 LEU A 63 -0.502 8.664 -3.033 1.00 11.31 H new ATOM 0 HD12 LEU A 63 0.240 9.897 -4.080 1.00 11.31 H new ATOM 0 HD13 LEU A 63 0.334 10.060 -2.311 1.00 11.31 H new ATOM 0 HD21 LEU A 63 -2.518 9.104 -1.796 1.00 62.13 H new ATOM 0 HD22 LEU A 63 -1.747 10.493 -0.994 1.00 62.13 H new ATOM 0 HD23 LEU A 63 -3.301 10.702 -1.834 1.00 62.13 H new ATOM 957 N SER A 64 -3.023 15.167 -4.352 1.00 33.24 N ATOM 958 CA SER A 64 -2.786 16.600 -4.445 1.00 32.42 C ATOM 959 C SER A 64 -3.131 17.305 -3.127 1.00 4.22 C ATOM 960 O SER A 64 -2.392 18.195 -2.702 1.00 64.44 O ATOM 961 CB SER A 64 -3.576 17.164 -5.633 1.00 64.35 C ATOM 962 OG SER A 64 -3.049 18.406 -6.061 1.00 23.21 O ATOM 0 H SER A 64 -3.786 14.833 -4.941 1.00 33.24 H new ATOM 0 HA SER A 64 -1.726 16.785 -4.620 1.00 32.42 H new ATOM 0 HB2 SER A 64 -3.552 16.453 -6.459 1.00 64.35 H new ATOM 0 HB3 SER A 64 -4.621 17.289 -5.350 1.00 64.35 H new ATOM 0 HG SER A 64 -3.572 18.739 -6.820 1.00 23.21 H new ATOM 968 N HIS A 65 -4.203 16.905 -2.435 1.00 33.21 N ATOM 969 CA HIS A 65 -4.751 17.625 -1.283 1.00 22.43 C ATOM 970 C HIS A 65 -5.002 16.701 -0.080 1.00 15.41 C ATOM 971 O HIS A 65 -5.829 17.001 0.786 1.00 41.41 O ATOM 972 CB HIS A 65 -6.018 18.385 -1.700 1.00 64.31 C ATOM 973 CG HIS A 65 -5.901 19.296 -2.898 1.00 52.24 C ATOM 974 ND1 HIS A 65 -6.889 19.460 -3.840 1.00 72.12 N ATOM 975 CD2 HIS A 65 -4.882 20.163 -3.206 1.00 33.32 C ATOM 976 CE1 HIS A 65 -6.500 20.414 -4.689 1.00 40.13 C ATOM 977 NE2 HIS A 65 -5.278 20.871 -4.353 1.00 54.44 N ATOM 0 H HIS A 65 -4.722 16.058 -2.664 1.00 33.21 H new ATOM 0 HA HIS A 65 -4.007 18.348 -0.949 1.00 22.43 H new ATOM 0 HB2 HIS A 65 -6.801 17.655 -1.904 1.00 64.31 H new ATOM 0 HB3 HIS A 65 -6.352 18.981 -0.851 1.00 64.31 H new ATOM 0 HD2 HIS A 65 -3.952 20.279 -2.669 1.00 33.32 H new ATOM 0 HE1 HIS A 65 -7.082 20.769 -5.526 1.00 40.13 H new ATOM 0 HE2 HIS A 65 -4.743 21.592 -4.838 1.00 54.44 H new ATOM 985 N VAL A 66 -4.299 15.573 -0.013 1.00 72.12 N ATOM 986 CA VAL A 66 -4.184 14.743 1.182 1.00 15.40 C ATOM 987 C VAL A 66 -3.457 15.518 2.293 1.00 64.11 C ATOM 988 O VAL A 66 -2.839 16.553 2.046 1.00 1.44 O ATOM 989 CB VAL A 66 -3.522 13.405 0.788 1.00 12.43 C ATOM 990 CG1 VAL A 66 -2.122 13.554 0.196 1.00 63.31 C ATOM 991 CG2 VAL A 66 -3.417 12.384 1.930 1.00 1.14 C ATOM 0 H VAL A 66 -3.780 15.202 -0.809 1.00 72.12 H new ATOM 0 HA VAL A 66 -5.161 14.498 1.599 1.00 15.40 H new ATOM 0 HB VAL A 66 -4.212 13.034 0.030 1.00 12.43 H new ATOM 0 HG11 VAL A 66 -1.726 12.570 -0.054 1.00 63.31 H new ATOM 0 HG12 VAL A 66 -2.171 14.165 -0.705 1.00 63.31 H new ATOM 0 HG13 VAL A 66 -1.468 14.033 0.924 1.00 63.31 H new ATOM 0 HG21 VAL A 66 -2.940 11.475 1.563 1.00 1.14 H new ATOM 0 HG22 VAL A 66 -2.822 12.805 2.740 1.00 1.14 H new ATOM 0 HG23 VAL A 66 -4.415 12.146 2.298 1.00 1.14 H new ATOM 1001 N GLN A 67 -3.538 15.011 3.525 1.00 20.43 N ATOM 1002 CA GLN A 67 -2.807 15.517 4.680 1.00 73.34 C ATOM 1003 C GLN A 67 -1.981 14.347 5.221 1.00 3.51 C ATOM 1004 O GLN A 67 -0.855 14.115 4.773 1.00 13.44 O ATOM 1005 CB GLN A 67 -3.814 16.080 5.699 1.00 34.41 C ATOM 1006 CG GLN A 67 -4.543 17.332 5.200 1.00 54.22 C ATOM 1007 CD GLN A 67 -5.724 17.651 6.109 1.00 0.42 C ATOM 1008 OE1 GLN A 67 -5.629 18.450 7.034 1.00 23.11 O ATOM 1009 NE2 GLN A 67 -6.886 17.075 5.840 1.00 43.14 N ATOM 0 H GLN A 67 -4.133 14.213 3.749 1.00 20.43 H new ATOM 0 HA GLN A 67 -2.130 16.336 4.435 1.00 73.34 H new ATOM 0 HB2 GLN A 67 -4.549 15.311 5.937 1.00 34.41 H new ATOM 0 HB3 GLN A 67 -3.290 16.318 6.625 1.00 34.41 H new ATOM 0 HG2 GLN A 67 -3.855 18.177 5.176 1.00 54.22 H new ATOM 0 HG3 GLN A 67 -4.892 17.176 4.179 1.00 54.22 H new ATOM 0 HE21 GLN A 67 -6.960 16.411 5.069 1.00 43.14 H new ATOM 0 HE22 GLN A 67 -7.707 17.296 6.404 1.00 43.14 H new ATOM 1018 N ASN A 68 -2.583 13.518 6.077 1.00 42.21 N ATOM 1019 CA ASN A 68 -1.941 12.327 6.623 1.00 22.10 C ATOM 1020 C ASN A 68 -1.880 11.282 5.520 1.00 75.43 C ATOM 1021 O ASN A 68 -2.926 10.822 5.048 1.00 12.23 O ATOM 1022 CB ASN A 68 -2.654 11.710 7.844 1.00 24.12 C ATOM 1023 CG ASN A 68 -3.730 12.542 8.515 1.00 54.45 C ATOM 1024 OD1 ASN A 68 -4.867 12.742 7.867 1.00 55.52 O flip ATOM 1025 ND2 ASN A 68 -3.581 12.950 9.659 1.00 72.42 N flip ATOM 0 H ASN A 68 -3.536 13.658 6.411 1.00 42.21 H new ATOM 0 HA ASN A 68 -0.957 12.636 6.975 1.00 22.10 H new ATOM 0 HB2 ASN A 68 -3.103 10.767 7.532 1.00 24.12 H new ATOM 0 HB3 ASN A 68 -1.897 11.471 8.591 1.00 24.12 H new ATOM 0 HD21 ASN A 68 -2.700 12.789 10.147 1.00 72.42 H new ATOM 0 HD22 ASN A 68 -4.338 13.451 10.124 1.00 72.42 H new ATOM 1032 N LYS A 69 -0.688 10.877 5.097 1.00 32.03 N ATOM 1033 CA LYS A 69 -0.555 9.887 4.032 1.00 31.31 C ATOM 1034 C LYS A 69 -1.129 8.530 4.441 1.00 3.40 C ATOM 1035 O LYS A 69 -1.732 7.840 3.621 1.00 63.04 O ATOM 1036 CB LYS A 69 0.921 9.731 3.674 1.00 60.14 C ATOM 1037 CG LYS A 69 1.579 10.988 3.079 1.00 41.55 C ATOM 1038 CD LYS A 69 0.864 11.534 1.828 1.00 3.34 C ATOM 1039 CE LYS A 69 1.800 12.417 0.987 1.00 33.34 C ATOM 1040 NZ LYS A 69 2.081 13.734 1.592 1.00 60.13 N ATOM 0 H LYS A 69 0.197 11.217 5.473 1.00 32.03 H new ATOM 0 HA LYS A 69 -1.121 10.239 3.170 1.00 31.31 H new ATOM 0 HB2 LYS A 69 1.469 9.442 4.571 1.00 60.14 H new ATOM 0 HB3 LYS A 69 1.022 8.913 2.961 1.00 60.14 H new ATOM 0 HG2 LYS A 69 1.605 11.768 3.840 1.00 41.55 H new ATOM 0 HG3 LYS A 69 2.613 10.758 2.823 1.00 41.55 H new ATOM 0 HD2 LYS A 69 0.503 10.703 1.222 1.00 3.34 H new ATOM 0 HD3 LYS A 69 -0.010 12.112 2.130 1.00 3.34 H new ATOM 0 HE2 LYS A 69 2.742 11.890 0.834 1.00 33.34 H new ATOM 0 HE3 LYS A 69 1.356 12.567 0.003 1.00 33.34 H new ATOM 0 HZ1 LYS A 69 2.717 14.273 0.970 1.00 60.13 H new ATOM 0 HZ2 LYS A 69 1.191 14.257 1.714 1.00 60.13 H new ATOM 0 HZ3 LYS A 69 2.534 13.601 2.519 1.00 60.13 H new ATOM 1054 N SER A 70 -0.970 8.173 5.713 1.00 73.14 N ATOM 1055 CA SER A 70 -1.376 6.905 6.309 1.00 60.41 C ATOM 1056 C SER A 70 -2.868 6.742 6.098 1.00 31.30 C ATOM 1057 O SER A 70 -3.318 5.746 5.537 1.00 23.31 O ATOM 1058 CB SER A 70 -1.042 6.849 7.811 1.00 74.03 C ATOM 1059 OG SER A 70 -0.215 7.935 8.210 1.00 41.24 O ATOM 0 H SER A 70 -0.531 8.795 6.391 1.00 73.14 H new ATOM 0 HA SER A 70 -0.828 6.093 5.830 1.00 60.41 H new ATOM 0 HB2 SER A 70 -1.966 6.864 8.389 1.00 74.03 H new ATOM 0 HB3 SER A 70 -0.540 5.908 8.037 1.00 74.03 H new ATOM 0 HG SER A 70 0.639 7.889 7.732 1.00 41.24 H new ATOM 1065 N ALA A 71 -3.618 7.770 6.501 1.00 13.14 N ATOM 1066 CA ALA A 71 -5.059 7.763 6.469 1.00 12.11 C ATOM 1067 C ALA A 71 -5.615 7.630 5.062 1.00 53.12 C ATOM 1068 O ALA A 71 -6.744 7.163 4.907 1.00 15.51 O ATOM 1069 CB ALA A 71 -5.554 9.042 7.155 1.00 44.24 C ATOM 0 H ALA A 71 -3.223 8.638 6.862 1.00 13.14 H new ATOM 0 HA ALA A 71 -5.422 6.885 7.003 1.00 12.11 H new ATOM 0 HB1 ALA A 71 -6.644 9.062 7.145 1.00 44.24 H new ATOM 0 HB2 ALA A 71 -5.201 9.062 8.186 1.00 44.24 H new ATOM 0 HB3 ALA A 71 -5.170 9.912 6.623 1.00 44.24 H new ATOM 1075 N PHE A 72 -4.856 8.036 4.044 1.00 44.51 N ATOM 1076 CA PHE A 72 -5.314 7.858 2.668 1.00 0.52 C ATOM 1077 C PHE A 72 -5.172 6.385 2.291 1.00 62.35 C ATOM 1078 O PHE A 72 -6.127 5.726 1.875 1.00 13.52 O ATOM 1079 CB PHE A 72 -4.515 8.780 1.746 1.00 51.32 C ATOM 1080 CG PHE A 72 -5.119 9.031 0.375 1.00 32.10 C ATOM 1081 CD1 PHE A 72 -5.220 8.003 -0.584 1.00 62.33 C ATOM 1082 CD2 PHE A 72 -5.490 10.340 0.019 1.00 0.53 C ATOM 1083 CE1 PHE A 72 -5.639 8.299 -1.893 1.00 60.34 C ATOM 1084 CE2 PHE A 72 -5.853 10.648 -1.299 1.00 32.31 C ATOM 1085 CZ PHE A 72 -5.927 9.625 -2.259 1.00 43.24 C ATOM 0 H PHE A 72 -3.943 8.480 4.142 1.00 44.51 H new ATOM 0 HA PHE A 72 -6.365 8.129 2.564 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -4.386 9.740 2.246 1.00 51.32 H new ATOM 0 HB3 PHE A 72 -3.520 8.355 1.611 1.00 51.32 H new ATOM 0 HD1 PHE A 72 -4.975 6.987 -0.313 1.00 62.33 H new ATOM 0 HD2 PHE A 72 -5.495 11.116 0.770 1.00 0.53 H new ATOM 0 HE1 PHE A 72 -5.740 7.506 -2.619 1.00 60.34 H new ATOM 0 HE2 PHE A 72 -6.075 11.668 -1.576 1.00 32.31 H new ATOM 0 HZ PHE A 72 -6.205 9.857 -3.277 1.00 43.24 H new ATOM 1095 N LEU A 73 -3.968 5.847 2.490 1.00 62.44 N ATOM 1096 CA LEU A 73 -3.590 4.501 2.070 1.00 54.54 C ATOM 1097 C LEU A 73 -4.478 3.493 2.775 1.00 0.30 C ATOM 1098 O LEU A 73 -5.128 2.641 2.164 1.00 0.51 O ATOM 1099 CB LEU A 73 -2.106 4.292 2.411 1.00 73.11 C ATOM 1100 CG LEU A 73 -1.562 2.860 2.218 1.00 12.24 C ATOM 1101 CD1 LEU A 73 -1.646 2.055 3.502 1.00 22.32 C ATOM 1102 CD2 LEU A 73 -2.052 2.152 0.960 1.00 75.04 C ATOM 0 H LEU A 73 -3.213 6.348 2.958 1.00 62.44 H new ATOM 0 HA LEU A 73 -3.724 4.367 0.997 1.00 54.54 H new ATOM 0 HB2 LEU A 73 -1.514 4.970 1.797 1.00 73.11 H new ATOM 0 HB3 LEU A 73 -1.948 4.582 3.450 1.00 73.11 H new ATOM 0 HG LEU A 73 -0.497 2.958 2.005 1.00 12.24 H new ATOM 0 HD11 LEU A 73 -1.255 1.052 3.329 1.00 22.32 H new ATOM 0 HD12 LEU A 73 -1.058 2.545 4.278 1.00 22.32 H new ATOM 0 HD13 LEU A 73 -2.686 1.988 3.822 1.00 22.32 H new ATOM 0 HD21 LEU A 73 -1.617 1.154 0.911 1.00 75.04 H new ATOM 0 HD22 LEU A 73 -3.139 2.073 0.987 1.00 75.04 H new ATOM 0 HD23 LEU A 73 -1.751 2.722 0.081 1.00 75.04 H new ATOM 1114 N CYS A 74 -4.513 3.622 4.096 1.00 72.34 N ATOM 1115 CA CYS A 74 -5.238 2.714 4.956 1.00 60.25 C ATOM 1116 C CYS A 74 -6.752 2.768 4.656 1.00 11.23 C ATOM 1117 O CYS A 74 -7.475 1.823 4.989 1.00 41.45 O ATOM 1118 CB CYS A 74 -4.919 3.070 6.419 1.00 51.35 C ATOM 1119 SG CYS A 74 -5.141 1.662 7.540 1.00 12.12 S ATOM 0 H CYS A 74 -4.033 4.369 4.598 1.00 72.34 H new ATOM 0 HA CYS A 74 -4.926 1.686 4.771 1.00 60.25 H new ATOM 0 HB2 CYS A 74 -3.891 3.426 6.487 1.00 51.35 H new ATOM 0 HB3 CYS A 74 -5.562 3.890 6.739 1.00 51.35 H new ATOM 0 HG CYS A 74 -6.168 0.962 7.159 1.00 12.12 H new ATOM 1125 N GLY A 75 -7.250 3.845 4.033 1.00 33.41 N ATOM 1126 CA GLY A 75 -8.619 3.960 3.552 1.00 1.20 C ATOM 1127 C GLY A 75 -8.814 3.157 2.271 1.00 73.15 C ATOM 1128 O GLY A 75 -9.683 2.283 2.276 1.00 63.03 O ATOM 0 H GLY A 75 -6.691 4.678 3.849 1.00 33.41 H new ATOM 0 HA2 GLY A 75 -9.309 3.605 4.317 1.00 1.20 H new ATOM 0 HA3 GLY A 75 -8.858 5.008 3.369 1.00 1.20 H new ATOM 1132 N VAL A 76 -7.983 3.368 1.231 1.00 31.03 N ATOM 1133 CA VAL A 76 -8.057 2.628 -0.043 1.00 1.23 C ATOM 1134 C VAL A 76 -8.164 1.136 0.246 1.00 31.00 C ATOM 1135 O VAL A 76 -9.074 0.470 -0.244 1.00 31.23 O ATOM 1136 CB VAL A 76 -6.863 2.931 -0.994 1.00 14.51 C ATOM 1137 CG1 VAL A 76 -6.822 1.983 -2.206 1.00 3.10 C ATOM 1138 CG2 VAL A 76 -6.876 4.388 -1.466 1.00 34.40 C ATOM 0 H VAL A 76 -7.236 4.062 1.253 1.00 31.03 H new ATOM 0 HA VAL A 76 -8.949 2.966 -0.571 1.00 1.23 H new ATOM 0 HB VAL A 76 -5.959 2.761 -0.409 1.00 14.51 H new ATOM 0 HG11 VAL A 76 -5.971 2.237 -2.838 1.00 3.10 H new ATOM 0 HG12 VAL A 76 -6.723 0.954 -1.860 1.00 3.10 H new ATOM 0 HG13 VAL A 76 -7.743 2.086 -2.780 1.00 3.10 H new ATOM 0 HG21 VAL A 76 -6.028 4.564 -2.128 1.00 34.40 H new ATOM 0 HG22 VAL A 76 -7.803 4.588 -2.003 1.00 34.40 H new ATOM 0 HG23 VAL A 76 -6.806 5.051 -0.603 1.00 34.40 H new ATOM 1148 N MET A 77 -7.268 0.614 1.090 1.00 3.42 N ATOM 1149 CA MET A 77 -7.295 -0.791 1.467 1.00 1.54 C ATOM 1150 C MET A 77 -8.670 -1.189 1.997 1.00 32.22 C ATOM 1151 O MET A 77 -9.225 -2.189 1.552 1.00 62.33 O ATOM 1152 CB MET A 77 -6.246 -1.100 2.534 1.00 60.42 C ATOM 1153 CG MET A 77 -4.811 -0.745 2.144 1.00 52.24 C ATOM 1154 SD MET A 77 -3.576 -1.930 2.731 1.00 33.41 S ATOM 1155 CE MET A 77 -2.064 -0.992 2.448 1.00 14.50 C ATOM 0 H MET A 77 -6.516 1.150 1.523 1.00 3.42 H new ATOM 0 HA MET A 77 -7.071 -1.366 0.568 1.00 1.54 H new ATOM 0 HB2 MET A 77 -6.504 -0.560 3.445 1.00 60.42 H new ATOM 0 HB3 MET A 77 -6.291 -2.163 2.771 1.00 60.42 H new ATOM 0 HG2 MET A 77 -4.747 -0.676 1.058 1.00 52.24 H new ATOM 0 HG3 MET A 77 -4.571 0.241 2.541 1.00 52.24 H new ATOM 0 HE1 MET A 77 -1.504 -1.443 1.628 1.00 14.50 H new ATOM 0 HE2 MET A 77 -2.317 0.037 2.192 1.00 14.50 H new ATOM 0 HE3 MET A 77 -1.455 -1.002 3.352 1.00 14.50 H new ATOM 1165 N LYS A 78 -9.227 -0.444 2.958 1.00 62.02 N ATOM 1166 CA LYS A 78 -10.513 -0.803 3.538 1.00 55.33 C ATOM 1167 C LYS A 78 -11.590 -0.837 2.470 1.00 0.34 C ATOM 1168 O LYS A 78 -12.299 -1.831 2.384 1.00 74.45 O ATOM 1169 CB LYS A 78 -10.911 0.087 4.729 1.00 53.42 C ATOM 1170 CG LYS A 78 -11.257 -0.863 5.894 1.00 33.40 C ATOM 1171 CD LYS A 78 -12.021 -0.271 7.078 1.00 1.31 C ATOM 1172 CE LYS A 78 -11.137 0.655 7.913 1.00 74.13 C ATOM 1173 NZ LYS A 78 -11.619 0.799 9.302 1.00 32.14 N ATOM 0 H LYS A 78 -8.808 0.402 3.343 1.00 62.02 H new ATOM 0 HA LYS A 78 -10.407 -1.807 3.949 1.00 55.33 H new ATOM 0 HB2 LYS A 78 -10.094 0.755 5.003 1.00 53.42 H new ATOM 0 HB3 LYS A 78 -11.765 0.715 4.475 1.00 53.42 H new ATOM 0 HG2 LYS A 78 -11.844 -1.689 5.493 1.00 33.40 H new ATOM 0 HG3 LYS A 78 -10.326 -1.287 6.271 1.00 33.40 H new ATOM 0 HD2 LYS A 78 -12.886 0.283 6.713 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -12.400 -1.077 7.706 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -10.119 0.267 7.924 1.00 74.13 H new ATOM 0 HE3 LYS A 78 -11.099 1.637 7.442 1.00 74.13 H new ATOM 0 HZ1 LYS A 78 -10.985 1.436 9.825 1.00 32.14 H new ATOM 0 HZ2 LYS A 78 -12.581 1.195 9.296 1.00 32.14 H new ATOM 0 HZ3 LYS A 78 -11.631 -0.133 9.764 1.00 32.14 H new ATOM 1187 N THR A 79 -11.671 0.182 1.623 1.00 41.33 N ATOM 1188 CA THR A 79 -12.675 0.183 0.579 1.00 35.42 C ATOM 1189 C THR A 79 -12.499 -1.023 -0.358 1.00 13.20 C ATOM 1190 O THR A 79 -13.504 -1.618 -0.729 1.00 21.43 O ATOM 1191 CB THR A 79 -12.620 1.516 -0.175 1.00 43.15 C ATOM 1192 OG1 THR A 79 -12.526 2.625 0.707 1.00 1.32 O ATOM 1193 CG2 THR A 79 -13.903 1.695 -0.973 1.00 53.43 C ATOM 0 H THR A 79 -11.064 1.001 1.640 1.00 41.33 H new ATOM 0 HA THR A 79 -13.664 0.084 1.026 1.00 35.42 H new ATOM 0 HB THR A 79 -11.737 1.485 -0.814 1.00 43.15 H new ATOM 0 HG1 THR A 79 -12.492 3.455 0.187 1.00 1.32 H new ATOM 0 HG21 THR A 79 -13.868 2.642 -1.511 1.00 53.43 H new ATOM 0 HG22 THR A 79 -14.005 0.877 -1.686 1.00 53.43 H new ATOM 0 HG23 THR A 79 -14.756 1.694 -0.295 1.00 53.43 H new ATOM 1201 N TYR A 80 -11.267 -1.430 -0.699 1.00 13.34 N ATOM 1202 CA TYR A 80 -11.028 -2.600 -1.545 1.00 40.45 C ATOM 1203 C TYR A 80 -11.669 -3.857 -0.943 1.00 4.51 C ATOM 1204 O TYR A 80 -12.502 -4.503 -1.586 1.00 33.04 O ATOM 1205 CB TYR A 80 -9.529 -2.838 -1.778 1.00 45.52 C ATOM 1206 CG TYR A 80 -9.054 -2.350 -3.125 1.00 64.44 C ATOM 1207 CD1 TYR A 80 -9.255 -3.147 -4.266 1.00 70.35 C ATOM 1208 CD2 TYR A 80 -8.423 -1.102 -3.239 1.00 54.41 C ATOM 1209 CE1 TYR A 80 -8.825 -2.695 -5.524 1.00 71.12 C ATOM 1210 CE2 TYR A 80 -7.960 -0.652 -4.484 1.00 71.22 C ATOM 1211 CZ TYR A 80 -8.169 -1.448 -5.639 1.00 4.52 C ATOM 1212 OH TYR A 80 -7.746 -1.010 -6.857 1.00 31.22 O ATOM 0 H TYR A 80 -10.415 -0.958 -0.396 1.00 13.34 H new ATOM 0 HA TYR A 80 -11.493 -2.394 -2.509 1.00 40.45 H new ATOM 0 HB2 TYR A 80 -8.961 -2.335 -0.995 1.00 45.52 H new ATOM 0 HB3 TYR A 80 -9.318 -3.904 -1.689 1.00 45.52 H new ATOM 0 HD1 TYR A 80 -9.740 -4.107 -4.175 1.00 70.35 H new ATOM 0 HD2 TYR A 80 -8.293 -0.484 -2.363 1.00 54.41 H new ATOM 0 HE1 TYR A 80 -8.995 -3.299 -6.403 1.00 71.12 H new ATOM 0 HE2 TYR A 80 -7.447 0.295 -4.563 1.00 71.22 H new ATOM 0 HH TYR A 80 -6.768 -1.063 -6.902 1.00 31.22 H new ATOM 1222 N ARG A 81 -11.287 -4.222 0.294 1.00 13.54 N ATOM 1223 CA ARG A 81 -11.847 -5.404 0.951 1.00 0.53 C ATOM 1224 C ARG A 81 -13.377 -5.300 1.060 1.00 20.20 C ATOM 1225 O ARG A 81 -14.045 -6.304 0.808 1.00 51.05 O ATOM 1226 CB ARG A 81 -11.116 -5.783 2.259 1.00 15.11 C ATOM 1227 CG ARG A 81 -11.021 -4.611 3.220 1.00 0.10 C ATOM 1228 CD ARG A 81 -10.803 -4.924 4.708 1.00 51.13 C ATOM 1229 NE ARG A 81 -9.411 -5.202 5.122 1.00 31.04 N ATOM 1230 CZ ARG A 81 -8.559 -4.275 5.579 1.00 55.44 C ATOM 1231 NH1 ARG A 81 -8.562 -3.064 5.044 1.00 53.54 N ATOM 1232 NH2 ARG A 81 -7.732 -4.552 6.578 1.00 62.35 N ATOM 0 H ARG A 81 -10.598 -3.716 0.851 1.00 13.54 H new ATOM 0 HA ARG A 81 -11.656 -6.265 0.311 1.00 0.53 H new ATOM 0 HB2 ARG A 81 -11.642 -6.606 2.743 1.00 15.11 H new ATOM 0 HB3 ARG A 81 -10.114 -6.140 2.023 1.00 15.11 H new ATOM 0 HG2 ARG A 81 -10.203 -3.971 2.889 1.00 0.10 H new ATOM 0 HG3 ARG A 81 -11.938 -4.029 3.131 1.00 0.10 H new ATOM 0 HD2 ARG A 81 -11.172 -4.081 5.292 1.00 51.13 H new ATOM 0 HD3 ARG A 81 -11.416 -5.786 4.970 1.00 51.13 H new ATOM 0 HE ARG A 81 -9.077 -6.164 5.055 1.00 31.04 H new ATOM 0 HH11 ARG A 81 -9.210 -2.842 4.289 1.00 53.54 H new ATOM 0 HH12 ARG A 81 -7.916 -2.353 5.387 1.00 53.54 H new ATOM 0 HH21 ARG A 81 -7.741 -5.478 7.006 1.00 62.35 H new ATOM 0 HH22 ARG A 81 -7.087 -3.839 6.919 1.00 62.35 H new ATOM 1246 N GLN A 82 -13.917 -4.094 1.276 1.00 71.35 N ATOM 1247 CA GLN A 82 -15.325 -3.804 1.561 1.00 64.22 C ATOM 1248 C GLN A 82 -16.090 -3.139 0.391 1.00 33.41 C ATOM 1249 O GLN A 82 -16.956 -2.269 0.573 1.00 60.41 O ATOM 1250 CB GLN A 82 -15.379 -2.940 2.823 1.00 32.33 C ATOM 1251 CG GLN A 82 -15.017 -3.723 4.092 1.00 61.31 C ATOM 1252 CD GLN A 82 -15.245 -2.948 5.386 1.00 35.30 C ATOM 1253 OE1 GLN A 82 -14.370 -2.240 5.882 1.00 51.23 O ATOM 1254 NE2 GLN A 82 -16.415 -3.069 5.991 1.00 20.14 N ATOM 0 H GLN A 82 -13.349 -3.247 1.255 1.00 71.35 H new ATOM 0 HA GLN A 82 -15.839 -4.753 1.711 1.00 64.22 H new ATOM 0 HB2 GLN A 82 -14.695 -2.099 2.712 1.00 32.33 H new ATOM 0 HB3 GLN A 82 -16.381 -2.524 2.931 1.00 32.33 H new ATOM 0 HG2 GLN A 82 -15.606 -4.640 4.121 1.00 61.31 H new ATOM 0 HG3 GLN A 82 -13.969 -4.019 4.038 1.00 61.31 H new ATOM 0 HE21 GLN A 82 -17.142 -3.655 5.582 1.00 20.14 H new ATOM 0 HE22 GLN A 82 -16.590 -2.576 6.867 1.00 20.14 H new ATOM 1263 N ARG A 83 -15.787 -3.535 -0.838 1.00 43.03 N ATOM 1264 CA ARG A 83 -16.487 -3.112 -2.059 1.00 14.03 C ATOM 1265 C ARG A 83 -17.843 -3.805 -2.180 1.00 62.41 C ATOM 1266 O ARG A 83 -18.054 -4.688 -3.020 1.00 10.24 O ATOM 1267 CB ARG A 83 -15.609 -3.289 -3.311 1.00 53.32 C ATOM 1268 CG ARG A 83 -14.751 -2.048 -3.585 1.00 50.35 C ATOM 1269 CD ARG A 83 -14.972 -1.555 -5.017 1.00 42.15 C ATOM 1270 NE ARG A 83 -14.453 -0.196 -5.178 1.00 53.33 N ATOM 1271 CZ ARG A 83 -15.134 0.923 -4.907 1.00 24.10 C ATOM 1272 NH1 ARG A 83 -16.409 0.870 -4.527 1.00 10.13 N ATOM 1273 NH2 ARG A 83 -14.518 2.095 -5.005 1.00 53.31 N ATOM 0 H ARG A 83 -15.021 -4.182 -1.026 1.00 43.03 H new ATOM 0 HA ARG A 83 -16.685 -2.043 -1.982 1.00 14.03 H new ATOM 0 HB2 ARG A 83 -14.962 -4.157 -3.182 1.00 53.32 H new ATOM 0 HB3 ARG A 83 -16.243 -3.490 -4.174 1.00 53.32 H new ATOM 0 HG2 ARG A 83 -15.005 -1.258 -2.878 1.00 50.35 H new ATOM 0 HG3 ARG A 83 -13.698 -2.285 -3.433 1.00 50.35 H new ATOM 0 HD2 ARG A 83 -14.476 -2.225 -5.719 1.00 42.15 H new ATOM 0 HD3 ARG A 83 -16.036 -1.575 -5.254 1.00 42.15 H new ATOM 0 HE ARG A 83 -13.499 -0.094 -5.523 1.00 53.33 H new ATOM 0 HH11 ARG A 83 -16.878 -0.032 -4.439 1.00 10.13 H new ATOM 0 HH12 ARG A 83 -16.917 1.731 -4.323 1.00 10.13 H new ATOM 0 HH21 ARG A 83 -13.538 2.134 -5.284 1.00 53.31 H new ATOM 0 HH22 ARG A 83 -15.025 2.956 -4.801 1.00 53.31 H new ATOM 1287 N GLU A 84 -18.768 -3.371 -1.336 1.00 12.33 N ATOM 1288 CA GLU A 84 -20.193 -3.618 -1.432 1.00 63.12 C ATOM 1289 C GLU A 84 -20.764 -2.407 -2.174 1.00 4.30 C ATOM 1290 O GLU A 84 -21.109 -1.402 -1.546 1.00 61.43 O ATOM 1291 CB GLU A 84 -20.777 -3.800 -0.022 1.00 53.45 C ATOM 1292 CG GLU A 84 -20.132 -4.983 0.712 1.00 11.13 C ATOM 1293 CD GLU A 84 -20.850 -5.264 2.026 1.00 31.34 C ATOM 1294 OE1 GLU A 84 -20.559 -4.607 3.057 1.00 64.52 O ATOM 1295 OE2 GLU A 84 -21.787 -6.092 2.034 1.00 11.34 O ATOM 0 H GLU A 84 -18.527 -2.806 -0.522 1.00 12.33 H new ATOM 0 HA GLU A 84 -20.442 -4.531 -1.972 1.00 63.12 H new ATOM 0 HB2 GLU A 84 -20.626 -2.888 0.555 1.00 53.45 H new ATOM 0 HB3 GLU A 84 -21.853 -3.958 -0.092 1.00 53.45 H new ATOM 0 HG2 GLU A 84 -20.163 -5.870 0.079 1.00 11.13 H new ATOM 0 HG3 GLU A 84 -19.081 -4.767 0.906 1.00 11.13 H new ATOM 1302 N LYS A 85 -20.793 -2.479 -3.509 1.00 71.12 N ATOM 1303 CA LYS A 85 -20.611 -1.343 -4.415 1.00 2.41 C ATOM 1304 C LYS A 85 -19.263 -0.705 -4.114 1.00 32.50 C ATOM 1305 O LYS A 85 -18.263 -1.279 -4.595 1.00 45.45 O ATOM 1306 CB LYS A 85 -21.791 -0.348 -4.446 1.00 1.30 C ATOM 1307 CG LYS A 85 -23.129 -0.951 -4.889 1.00 2.33 C ATOM 1308 CD LYS A 85 -23.199 -1.420 -6.353 1.00 52.43 C ATOM 1309 CE LYS A 85 -23.834 -0.368 -7.280 1.00 52.03 C ATOM 1310 NZ LYS A 85 -24.153 -0.955 -8.600 1.00 33.23 N ATOM 0 H LYS A 85 -20.949 -3.358 -4.003 1.00 71.12 H new ATOM 0 HA LYS A 85 -20.608 -1.714 -5.440 1.00 2.41 H new ATOM 0 HB2 LYS A 85 -21.913 0.080 -3.451 1.00 1.30 H new ATOM 0 HB3 LYS A 85 -21.538 0.473 -5.117 1.00 1.30 H new ATOM 0 HG2 LYS A 85 -23.355 -1.800 -4.244 1.00 2.33 H new ATOM 0 HG3 LYS A 85 -23.912 -0.210 -4.727 1.00 2.33 H new ATOM 0 HD2 LYS A 85 -22.194 -1.651 -6.706 1.00 52.43 H new ATOM 0 HD3 LYS A 85 -23.776 -2.343 -6.408 1.00 52.43 H new ATOM 0 HE2 LYS A 85 -24.742 0.025 -6.823 1.00 52.03 H new ATOM 0 HE3 LYS A 85 -23.151 0.472 -7.406 1.00 52.03 H new ATOM 0 HZ1 LYS A 85 -24.580 -0.228 -9.209 1.00 33.23 H new ATOM 0 HZ2 LYS A 85 -23.281 -1.309 -9.043 1.00 33.23 H new ATOM 0 HZ3 LYS A 85 -24.823 -1.741 -8.478 1.00 33.23 H new TER 1324 LYS A 85