USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 CYS SG : rot 180:sc= -0.0557 USER MOD Set 1.2: A 77 MET CE :methyl -174:sc= -0.61 (180deg=-0.798) USER MOD Set 2.1: A 56 GLN : amide:sc= -0.564 X(o=-0.24,f=0.025) USER MOD Set 2.2: A 57 GLN : amide:sc= -0.185 X(o=-0.24,f=0.025) USER MOD Set 2.3: A 80 TYR OH : rot -41:sc= 0.505 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.12 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.925 K(o=0.92,f=-0.37) USER MOD Single : A 6 GLN : amide:sc= 0.787 K(o=0.79,f=-0.01) USER MOD Single : A 7 THR OG1 : rot 93:sc= 0.278 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) 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 30:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.761 X(o=-0.76,f=-0.9) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0.381 (180deg=0.381) USER MOD Single : A 47 ASN : amide:sc= 0.215 K(o=0.22,f=-4.9!) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= -0.0877 (180deg=-0.153) USER MOD Single : A 61 SER OG : rot 19:sc= 1.22 USER MOD Single : A 64 SER OG : rot -20:sc= 0.0905 USER MOD Single : A 65 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.51) USER MOD Single : A 68 ASN : amide:sc= 0.552 K(o=0.55,f=-7!) USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.2) USER MOD Single : A 70 SER OG : rot 162:sc= 1.14 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= -0.657 K(o=-0.66,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.674 -2.336 -8.000 1.00 23.22 N ATOM 2 CA GLY A 1 14.070 -1.952 -6.726 1.00 53.43 C ATOM 3 C GLY A 1 15.164 -1.483 -5.797 1.00 61.03 C ATOM 4 O GLY A 1 16.302 -1.941 -5.906 1.00 24.44 O ATOM 0 H1 GLY A 1 14.259 -3.233 -8.325 1.00 23.22 H new ATOM 0 H2 GLY A 1 14.494 -1.595 -8.707 1.00 23.22 H new ATOM 0 H3 GLY A 1 15.700 -2.454 -7.876 1.00 23.22 H new ATOM 0 HA2 GLY A 1 13.337 -1.160 -6.878 1.00 53.43 H new ATOM 0 HA3 GLY A 1 13.539 -2.798 -6.289 1.00 53.43 H new ATOM 8 N SER A 2 14.839 -0.538 -4.921 1.00 62.02 N ATOM 9 CA SER A 2 15.783 0.057 -3.989 1.00 10.32 C ATOM 10 C SER A 2 15.669 -0.608 -2.616 1.00 54.43 C ATOM 11 O SER A 2 14.998 -1.627 -2.454 1.00 53.33 O ATOM 12 CB SER A 2 15.540 1.557 -3.953 1.00 21.33 C ATOM 13 OG SER A 2 15.634 2.078 -5.267 1.00 42.11 O ATOM 0 H SER A 2 13.895 -0.159 -4.839 1.00 62.02 H new ATOM 0 HA SER A 2 16.810 -0.109 -4.315 1.00 10.32 H new ATOM 0 HB2 SER A 2 14.555 1.768 -3.535 1.00 21.33 H new ATOM 0 HB3 SER A 2 16.271 2.040 -3.305 1.00 21.33 H new ATOM 0 HG SER A 2 15.476 3.045 -5.248 1.00 42.11 H new ATOM 19 N GLU A 3 16.331 -0.036 -1.612 1.00 63.50 N ATOM 20 CA GLU A 3 16.409 -0.596 -0.271 1.00 44.04 C ATOM 21 C GLU A 3 15.060 -0.740 0.439 1.00 33.35 C ATOM 22 O GLU A 3 15.020 -1.365 1.502 1.00 5.33 O ATOM 23 CB GLU A 3 17.369 0.240 0.585 1.00 43.02 C ATOM 24 CG GLU A 3 17.042 1.742 0.682 1.00 32.51 C ATOM 25 CD GLU A 3 17.943 2.559 -0.240 1.00 44.40 C ATOM 26 OE1 GLU A 3 17.865 2.386 -1.471 1.00 21.53 O ATOM 27 OE2 GLU A 3 18.804 3.326 0.281 1.00 53.40 O ATOM 0 H GLU A 3 16.836 0.845 -1.713 1.00 63.50 H new ATOM 0 HA GLU A 3 16.784 -1.612 -0.393 1.00 44.04 H new ATOM 0 HB2 GLU A 3 17.384 -0.176 1.593 1.00 43.02 H new ATOM 0 HB3 GLU A 3 18.375 0.131 0.181 1.00 43.02 H new ATOM 0 HG2 GLU A 3 15.998 1.908 0.417 1.00 32.51 H new ATOM 0 HG3 GLU A 3 17.167 2.079 1.711 1.00 32.51 H new ATOM 34 N ASN A 4 13.960 -0.184 -0.082 1.00 74.40 N ATOM 35 CA ASN A 4 12.644 -0.418 0.500 1.00 13.55 C ATOM 36 C ASN A 4 12.236 -1.858 0.220 1.00 45.13 C ATOM 37 O ASN A 4 11.733 -2.518 1.119 1.00 13.32 O ATOM 38 CB ASN A 4 11.551 0.535 -0.018 1.00 72.01 C ATOM 39 CG ASN A 4 12.031 1.940 -0.315 1.00 11.32 C ATOM 40 OD1 ASN A 4 12.056 2.796 0.563 1.00 30.22 O ATOM 41 ND2 ASN A 4 12.455 2.198 -1.539 1.00 32.32 N ATOM 0 H ASN A 4 13.960 0.426 -0.900 1.00 74.40 H new ATOM 0 HA ASN A 4 12.731 -0.225 1.569 1.00 13.55 H new ATOM 0 HB2 ASN A 4 11.119 0.113 -0.925 1.00 72.01 H new ATOM 0 HB3 ASN A 4 10.752 0.587 0.721 1.00 72.01 H new ATOM 0 HD21 ASN A 4 12.813 3.125 -1.770 1.00 32.32 H new ATOM 0 HD22 ASN A 4 12.425 1.470 -2.253 1.00 32.32 H new ATOM 48 N PHE A 5 12.461 -2.352 -1.003 1.00 70.20 N ATOM 49 CA PHE A 5 12.011 -3.654 -1.492 1.00 73.21 C ATOM 50 C PHE A 5 12.296 -4.785 -0.502 1.00 61.40 C ATOM 51 O PHE A 5 11.375 -5.487 -0.080 1.00 14.23 O ATOM 52 CB PHE A 5 12.667 -3.935 -2.851 1.00 54.13 C ATOM 53 CG PHE A 5 12.298 -5.274 -3.458 1.00 62.12 C ATOM 54 CD1 PHE A 5 10.969 -5.541 -3.829 1.00 53.10 C ATOM 55 CD2 PHE A 5 13.285 -6.257 -3.654 1.00 45.42 C ATOM 56 CE1 PHE A 5 10.635 -6.778 -4.407 1.00 31.13 C ATOM 57 CE2 PHE A 5 12.961 -7.470 -4.285 1.00 23.05 C ATOM 58 CZ PHE A 5 11.636 -7.728 -4.669 1.00 30.31 C ATOM 0 H PHE A 5 12.984 -1.831 -1.706 1.00 70.20 H new ATOM 0 HA PHE A 5 10.928 -3.617 -1.605 1.00 73.21 H new ATOM 0 HB2 PHE A 5 12.386 -3.144 -3.547 1.00 54.13 H new ATOM 0 HB3 PHE A 5 13.750 -3.888 -2.735 1.00 54.13 H new ATOM 0 HD1 PHE A 5 10.204 -4.795 -3.670 1.00 53.10 H new ATOM 0 HD2 PHE A 5 14.296 -6.079 -3.318 1.00 45.42 H new ATOM 0 HE1 PHE A 5 9.606 -6.999 -4.650 1.00 31.13 H new ATOM 0 HE2 PHE A 5 13.731 -8.203 -4.474 1.00 23.05 H new ATOM 0 HZ PHE A 5 11.387 -8.655 -5.165 1.00 30.31 H new ATOM 68 N GLN A 6 13.565 -4.956 -0.121 1.00 14.55 N ATOM 69 CA GLN A 6 13.969 -6.002 0.809 1.00 54.02 C ATOM 70 C GLN A 6 13.262 -5.840 2.155 1.00 43.04 C ATOM 71 O GLN A 6 12.853 -6.833 2.755 1.00 12.41 O ATOM 72 CB GLN A 6 15.491 -5.964 0.985 1.00 73.32 C ATOM 73 CG GLN A 6 16.033 -6.953 2.029 1.00 4.15 C ATOM 74 CD GLN A 6 15.774 -8.404 1.647 1.00 44.22 C ATOM 75 OE1 GLN A 6 16.614 -9.047 1.019 1.00 22.53 O ATOM 76 NE2 GLN A 6 14.616 -8.939 1.993 1.00 71.20 N ATOM 0 H GLN A 6 14.335 -4.373 -0.450 1.00 14.55 H new ATOM 0 HA GLN A 6 13.680 -6.971 0.402 1.00 54.02 H new ATOM 0 HB2 GLN A 6 15.961 -6.174 0.024 1.00 73.32 H new ATOM 0 HB3 GLN A 6 15.787 -4.954 1.270 1.00 73.32 H new ATOM 0 HG2 GLN A 6 17.105 -6.798 2.149 1.00 4.15 H new ATOM 0 HG3 GLN A 6 15.571 -6.747 2.994 1.00 4.15 H new ATOM 0 HE21 GLN A 6 13.934 -8.387 2.514 1.00 71.20 H new ATOM 0 HE22 GLN A 6 14.404 -9.904 1.739 1.00 71.20 H new ATOM 85 N THR A 7 13.163 -4.615 2.658 1.00 74.23 N ATOM 86 CA THR A 7 12.590 -4.378 3.967 1.00 42.21 C ATOM 87 C THR A 7 11.081 -4.651 3.929 1.00 21.21 C ATOM 88 O THR A 7 10.562 -5.243 4.863 1.00 42.43 O ATOM 89 CB THR A 7 12.960 -2.959 4.424 1.00 74.31 C ATOM 90 OG1 THR A 7 14.340 -2.722 4.184 1.00 24.11 O ATOM 91 CG2 THR A 7 12.707 -2.790 5.920 1.00 40.32 C ATOM 0 H THR A 7 13.474 -3.773 2.174 1.00 74.23 H new ATOM 0 HA THR A 7 12.999 -5.063 4.710 1.00 42.21 H new ATOM 0 HB THR A 7 12.344 -2.255 3.864 1.00 74.31 H new ATOM 0 HG1 THR A 7 14.452 -2.306 3.304 1.00 24.11 H new ATOM 0 HG21 THR A 7 12.976 -1.778 6.222 1.00 40.32 H new ATOM 0 HG22 THR A 7 11.652 -2.964 6.133 1.00 40.32 H new ATOM 0 HG23 THR A 7 13.312 -3.507 6.475 1.00 40.32 H new ATOM 99 N LEU A 8 10.376 -4.325 2.843 1.00 54.12 N ATOM 100 CA LEU A 8 8.952 -4.622 2.655 1.00 51.12 C ATOM 101 C LEU A 8 8.688 -6.129 2.662 1.00 11.12 C ATOM 102 O LEU A 8 7.676 -6.594 3.200 1.00 3.24 O ATOM 103 CB LEU A 8 8.494 -4.054 1.308 1.00 62.24 C ATOM 104 CG LEU A 8 8.040 -2.580 1.267 1.00 14.33 C ATOM 105 CD1 LEU A 8 8.670 -1.624 2.292 1.00 71.32 C ATOM 106 CD2 LEU A 8 8.300 -2.056 -0.155 1.00 30.35 C ATOM 0 H LEU A 8 10.789 -3.835 2.050 1.00 54.12 H new ATOM 0 HA LEU A 8 8.401 -4.168 3.479 1.00 51.12 H new ATOM 0 HB2 LEU A 8 9.313 -4.172 0.599 1.00 62.24 H new ATOM 0 HB3 LEU A 8 7.669 -4.669 0.948 1.00 62.24 H new ATOM 0 HG LEU A 8 6.986 -2.589 1.546 1.00 14.33 H new ATOM 0 HD11 LEU A 8 8.264 -0.622 2.153 1.00 71.32 H new ATOM 0 HD12 LEU A 8 8.443 -1.971 3.300 1.00 71.32 H new ATOM 0 HD13 LEU A 8 9.751 -1.600 2.151 1.00 71.32 H new ATOM 0 HD21 LEU A 8 7.990 -1.013 -0.221 1.00 30.35 H new ATOM 0 HD22 LEU A 8 9.363 -2.133 -0.383 1.00 30.35 H new ATOM 0 HD23 LEU A 8 7.732 -2.649 -0.871 1.00 30.35 H new ATOM 118 N LEU A 9 9.588 -6.895 2.043 1.00 54.30 N ATOM 119 CA LEU A 9 9.516 -8.352 2.024 1.00 43.54 C ATOM 120 C LEU A 9 9.645 -8.927 3.430 1.00 35.42 C ATOM 121 O LEU A 9 9.095 -9.995 3.694 1.00 60.11 O ATOM 122 CB LEU A 9 10.638 -8.907 1.141 1.00 22.05 C ATOM 123 CG LEU A 9 10.345 -8.762 -0.358 1.00 73.11 C ATOM 124 CD1 LEU A 9 11.649 -8.819 -1.147 1.00 32.03 C ATOM 125 CD2 LEU A 9 9.425 -9.885 -0.842 1.00 71.42 C ATOM 0 H LEU A 9 10.390 -6.517 1.539 1.00 54.30 H new ATOM 0 HA LEU A 9 8.545 -8.642 1.622 1.00 43.54 H new ATOM 0 HB2 LEU A 9 11.568 -8.390 1.376 1.00 22.05 H new ATOM 0 HB3 LEU A 9 10.791 -9.960 1.376 1.00 22.05 H new ATOM 0 HG LEU A 9 9.852 -7.803 -0.517 1.00 73.11 H new ATOM 0 HD11 LEU A 9 11.435 -8.716 -2.211 1.00 32.03 H new ATOM 0 HD12 LEU A 9 12.303 -8.008 -0.828 1.00 32.03 H new ATOM 0 HD13 LEU A 9 12.142 -9.775 -0.967 1.00 32.03 H new ATOM 0 HD21 LEU A 9 9.231 -9.762 -1.907 1.00 71.42 H new ATOM 0 HD22 LEU A 9 9.905 -10.848 -0.669 1.00 71.42 H new ATOM 0 HD23 LEU A 9 8.483 -9.845 -0.294 1.00 71.42 H new ATOM 137 N ASP A 10 10.326 -8.225 4.336 1.00 23.31 N ATOM 138 CA ASP A 10 10.474 -8.642 5.731 1.00 31.35 C ATOM 139 C ASP A 10 9.353 -8.064 6.597 1.00 42.34 C ATOM 140 O ASP A 10 8.896 -8.689 7.555 1.00 75.12 O ATOM 141 CB ASP A 10 11.833 -8.198 6.271 1.00 15.03 C ATOM 142 CG ASP A 10 12.082 -8.693 7.695 1.00 20.11 C ATOM 143 OD1 ASP A 10 11.684 -9.821 8.068 1.00 44.21 O ATOM 144 OD2 ASP A 10 12.765 -7.969 8.458 1.00 74.43 O ATOM 0 H ASP A 10 10.794 -7.345 4.121 1.00 23.31 H new ATOM 0 HA ASP A 10 10.411 -9.729 5.770 1.00 31.35 H new ATOM 0 HB2 ASP A 10 12.621 -8.571 5.616 1.00 15.03 H new ATOM 0 HB3 ASP A 10 11.891 -7.110 6.252 1.00 15.03 H new ATOM 149 N ALA A 11 8.838 -6.894 6.220 1.00 44.42 N ATOM 150 CA ALA A 11 7.734 -6.178 6.847 1.00 60.23 C ATOM 151 C ALA A 11 6.439 -6.988 6.803 1.00 55.50 C ATOM 152 O ALA A 11 5.480 -6.666 7.513 1.00 32.12 O ATOM 153 CB ALA A 11 7.509 -4.851 6.116 1.00 13.21 C ATOM 0 H ALA A 11 9.208 -6.390 5.414 1.00 44.42 H new ATOM 0 HA ALA A 11 7.998 -6.005 7.890 1.00 60.23 H new ATOM 0 HB1 ALA A 11 6.684 -4.314 6.583 1.00 13.21 H new ATOM 0 HB2 ALA A 11 8.414 -4.246 6.173 1.00 13.21 H new ATOM 0 HB3 ALA A 11 7.269 -5.047 5.071 1.00 13.21 H new ATOM 159 N GLY A 12 6.388 -8.026 5.964 1.00 74.43 N ATOM 160 CA GLY A 12 5.347 -9.035 5.979 1.00 1.52 C ATOM 161 C GLY A 12 4.662 -9.268 4.644 1.00 2.25 C ATOM 162 O GLY A 12 3.670 -9.994 4.636 1.00 15.51 O ATOM 0 H GLY A 12 7.090 -8.184 5.241 1.00 74.43 H new ATOM 0 HA2 GLY A 12 5.779 -9.977 6.318 1.00 1.52 H new ATOM 0 HA3 GLY A 12 4.593 -8.748 6.712 1.00 1.52 H new ATOM 166 N LEU A 13 5.119 -8.625 3.565 1.00 42.51 N ATOM 167 CA LEU A 13 4.406 -8.599 2.288 1.00 22.23 C ATOM 168 C LEU A 13 4.975 -9.632 1.309 1.00 73.14 C ATOM 169 O LEU A 13 6.164 -9.959 1.373 1.00 4.23 O ATOM 170 CB LEU A 13 4.528 -7.195 1.672 1.00 72.30 C ATOM 171 CG LEU A 13 3.992 -6.060 2.563 1.00 40.20 C ATOM 172 CD1 LEU A 13 4.390 -4.723 1.951 1.00 13.22 C ATOM 173 CD2 LEU A 13 2.470 -6.145 2.762 1.00 55.40 C ATOM 0 H LEU A 13 5.997 -8.107 3.555 1.00 42.51 H new ATOM 0 HA LEU A 13 3.361 -8.845 2.473 1.00 22.23 H new ATOM 0 HB2 LEU A 13 5.577 -7.000 1.448 1.00 72.30 H new ATOM 0 HB3 LEU A 13 3.991 -7.180 0.723 1.00 72.30 H new ATOM 0 HG LEU A 13 4.435 -6.159 3.554 1.00 40.20 H new ATOM 0 HD11 LEU A 13 4.015 -3.911 2.575 1.00 13.22 H new ATOM 0 HD12 LEU A 13 5.476 -4.660 1.888 1.00 13.22 H new ATOM 0 HD13 LEU A 13 3.964 -4.639 0.951 1.00 13.22 H new ATOM 0 HD21 LEU A 13 2.140 -5.323 3.397 1.00 55.40 H new ATOM 0 HD22 LEU A 13 1.972 -6.078 1.795 1.00 55.40 H new ATOM 0 HD23 LEU A 13 2.217 -7.094 3.235 1.00 55.40 H new ATOM 185 N PRO A 14 4.165 -10.117 0.351 1.00 43.31 N ATOM 186 CA PRO A 14 4.642 -10.959 -0.738 1.00 12.35 C ATOM 187 C PRO A 14 5.515 -10.165 -1.713 1.00 32.22 C ATOM 188 O PRO A 14 5.468 -8.935 -1.778 1.00 50.53 O ATOM 189 CB PRO A 14 3.387 -11.485 -1.442 1.00 64.04 C ATOM 190 CG PRO A 14 2.334 -10.441 -1.120 1.00 50.21 C ATOM 191 CD PRO A 14 2.732 -9.902 0.246 1.00 33.02 C ATOM 0 HA PRO A 14 5.264 -11.772 -0.362 1.00 12.35 H new ATOM 0 HB2 PRO A 14 3.541 -11.581 -2.517 1.00 64.04 H new ATOM 0 HB3 PRO A 14 3.102 -12.470 -1.071 1.00 64.04 H new ATOM 0 HG2 PRO A 14 2.319 -9.649 -1.869 1.00 50.21 H new ATOM 0 HG3 PRO A 14 1.336 -10.878 -1.098 1.00 50.21 H new ATOM 0 HD2 PRO A 14 2.487 -8.844 0.336 1.00 33.02 H new ATOM 0 HD3 PRO A 14 2.199 -10.421 1.042 1.00 33.02 H new ATOM 199 N GLN A 15 6.235 -10.890 -2.573 1.00 53.33 N ATOM 200 CA GLN A 15 7.123 -10.331 -3.577 1.00 41.31 C ATOM 201 C GLN A 15 6.336 -9.480 -4.546 1.00 3.44 C ATOM 202 O GLN A 15 6.799 -8.414 -4.942 1.00 13.52 O ATOM 203 CB GLN A 15 7.846 -11.484 -4.289 1.00 44.21 C ATOM 204 CG GLN A 15 8.634 -11.024 -5.522 1.00 64.14 C ATOM 205 CD GLN A 15 9.683 -12.056 -5.935 1.00 64.14 C ATOM 206 OE1 GLN A 15 9.382 -13.055 -6.585 1.00 64.04 O ATOM 207 NE2 GLN A 15 10.938 -11.880 -5.569 1.00 13.54 N ATOM 0 H GLN A 15 6.211 -11.910 -2.585 1.00 53.33 H new ATOM 0 HA GLN A 15 7.868 -9.686 -3.111 1.00 41.31 H new ATOM 0 HB2 GLN A 15 8.527 -11.967 -3.588 1.00 44.21 H new ATOM 0 HB3 GLN A 15 7.115 -12.234 -4.591 1.00 44.21 H new ATOM 0 HG2 GLN A 15 7.947 -10.851 -6.350 1.00 64.14 H new ATOM 0 HG3 GLN A 15 9.122 -10.073 -5.309 1.00 64.14 H new ATOM 0 HE21 GLN A 15 11.201 -11.055 -5.029 1.00 13.54 H new ATOM 0 HE22 GLN A 15 11.645 -12.569 -5.826 1.00 13.54 H new ATOM 216 N LYS A 16 5.146 -9.957 -4.914 1.00 25.02 N ATOM 217 CA LYS A 16 4.378 -9.305 -5.951 1.00 21.02 C ATOM 218 C LYS A 16 4.087 -7.860 -5.561 1.00 32.32 C ATOM 219 O LYS A 16 4.310 -6.937 -6.331 1.00 45.22 O ATOM 220 CB LYS A 16 3.055 -10.030 -6.234 1.00 12.41 C ATOM 221 CG LYS A 16 3.176 -11.266 -7.123 1.00 3.14 C ATOM 222 CD LYS A 16 3.826 -12.482 -6.446 1.00 61.24 C ATOM 223 CE LYS A 16 3.839 -13.673 -7.409 1.00 11.23 C ATOM 224 NZ LYS A 16 4.949 -13.606 -8.383 1.00 23.31 N ATOM 0 H LYS A 16 4.705 -10.783 -4.509 1.00 25.02 H new ATOM 0 HA LYS A 16 4.979 -9.333 -6.860 1.00 21.02 H new ATOM 0 HB2 LYS A 16 2.609 -10.326 -5.284 1.00 12.41 H new ATOM 0 HB3 LYS A 16 2.366 -9.328 -6.704 1.00 12.41 H new ATOM 0 HG2 LYS A 16 2.181 -11.548 -7.468 1.00 3.14 H new ATOM 0 HG3 LYS A 16 3.758 -11.005 -8.007 1.00 3.14 H new ATOM 0 HD2 LYS A 16 4.844 -12.238 -6.142 1.00 61.24 H new ATOM 0 HD3 LYS A 16 3.277 -12.742 -5.541 1.00 61.24 H new ATOM 0 HE2 LYS A 16 3.918 -14.597 -6.837 1.00 11.23 H new ATOM 0 HE3 LYS A 16 2.891 -13.711 -7.946 1.00 11.23 H new ATOM 0 HZ1 LYS A 16 4.911 -14.435 -9.010 1.00 23.31 H new ATOM 0 HZ2 LYS A 16 4.861 -12.739 -8.950 1.00 23.31 H new ATOM 0 HZ3 LYS A 16 5.856 -13.597 -7.875 1.00 23.31 H new ATOM 238 N VAL A 17 3.557 -7.699 -4.353 1.00 45.44 N ATOM 239 CA VAL A 17 3.205 -6.423 -3.766 1.00 31.05 C ATOM 240 C VAL A 17 4.493 -5.601 -3.624 1.00 43.21 C ATOM 241 O VAL A 17 4.545 -4.470 -4.101 1.00 31.24 O ATOM 242 CB VAL A 17 2.495 -6.722 -2.428 1.00 53.10 C ATOM 243 CG1 VAL A 17 2.184 -5.492 -1.578 1.00 3.32 C ATOM 244 CG2 VAL A 17 1.169 -7.466 -2.675 1.00 4.21 C ATOM 0 H VAL A 17 3.356 -8.487 -3.738 1.00 45.44 H new ATOM 0 HA VAL A 17 2.521 -5.831 -4.374 1.00 31.05 H new ATOM 0 HB VAL A 17 3.208 -7.331 -1.873 1.00 53.10 H new ATOM 0 HG11 VAL A 17 1.686 -5.801 -0.659 1.00 3.32 H new ATOM 0 HG12 VAL A 17 3.112 -4.976 -1.332 1.00 3.32 H new ATOM 0 HG13 VAL A 17 1.532 -4.820 -2.136 1.00 3.32 H new ATOM 0 HG21 VAL A 17 0.682 -7.669 -1.721 1.00 4.21 H new ATOM 0 HG22 VAL A 17 0.515 -6.850 -3.292 1.00 4.21 H new ATOM 0 HG23 VAL A 17 1.370 -8.407 -3.187 1.00 4.21 H new ATOM 254 N ALA A 18 5.553 -6.167 -3.027 1.00 64.24 N ATOM 255 CA ALA A 18 6.801 -5.448 -2.779 1.00 52.33 C ATOM 256 C ALA A 18 7.404 -4.861 -4.066 1.00 74.03 C ATOM 257 O ALA A 18 7.852 -3.716 -4.051 1.00 22.14 O ATOM 258 CB ALA A 18 7.795 -6.367 -2.060 1.00 45.54 C ATOM 0 H ALA A 18 5.564 -7.135 -2.705 1.00 64.24 H new ATOM 0 HA ALA A 18 6.577 -4.598 -2.135 1.00 52.33 H new ATOM 0 HB1 ALA A 18 8.724 -5.826 -1.877 1.00 45.54 H new ATOM 0 HB2 ALA A 18 7.370 -6.690 -1.110 1.00 45.54 H new ATOM 0 HB3 ALA A 18 7.999 -7.239 -2.681 1.00 45.54 H new ATOM 264 N GLU A 19 7.384 -5.606 -5.179 1.00 71.41 N ATOM 265 CA GLU A 19 7.906 -5.165 -6.477 1.00 25.42 C ATOM 266 C GLU A 19 7.216 -3.875 -6.933 1.00 24.12 C ATOM 267 O GLU A 19 7.849 -2.991 -7.516 1.00 53.23 O ATOM 268 CB GLU A 19 7.686 -6.253 -7.559 1.00 12.23 C ATOM 269 CG GLU A 19 8.753 -7.364 -7.618 1.00 70.43 C ATOM 270 CD GLU A 19 9.419 -7.431 -8.998 1.00 3.13 C ATOM 271 OE1 GLU A 19 8.794 -7.934 -9.958 1.00 43.33 O ATOM 272 OE2 GLU A 19 10.566 -6.924 -9.121 1.00 32.42 O ATOM 0 H GLU A 19 6.997 -6.550 -5.202 1.00 71.41 H new ATOM 0 HA GLU A 19 8.974 -4.984 -6.352 1.00 25.42 H new ATOM 0 HB2 GLU A 19 6.714 -6.717 -7.389 1.00 12.23 H new ATOM 0 HB3 GLU A 19 7.641 -5.766 -8.533 1.00 12.23 H new ATOM 0 HG2 GLU A 19 9.511 -7.183 -6.856 1.00 70.43 H new ATOM 0 HG3 GLU A 19 8.292 -8.325 -7.388 1.00 70.43 H new ATOM 279 N LYS A 20 5.903 -3.774 -6.716 1.00 4.41 N ATOM 280 CA LYS A 20 5.123 -2.610 -7.127 1.00 22.04 C ATOM 281 C LYS A 20 5.285 -1.487 -6.109 1.00 42.23 C ATOM 282 O LYS A 20 5.322 -0.322 -6.504 1.00 4.32 O ATOM 283 CB LYS A 20 3.647 -3.007 -7.327 1.00 42.42 C ATOM 284 CG LYS A 20 3.341 -3.575 -8.727 1.00 21.45 C ATOM 285 CD LYS A 20 4.172 -4.816 -9.091 1.00 41.44 C ATOM 286 CE LYS A 20 3.828 -5.348 -10.482 1.00 14.44 C ATOM 287 NZ LYS A 20 4.778 -6.393 -10.916 1.00 31.33 N ATOM 0 H LYS A 20 5.353 -4.497 -6.251 1.00 4.41 H new ATOM 0 HA LYS A 20 5.493 -2.239 -8.083 1.00 22.04 H new ATOM 0 HB2 LYS A 20 3.375 -3.749 -6.576 1.00 42.42 H new ATOM 0 HB3 LYS A 20 3.019 -2.133 -7.154 1.00 42.42 H new ATOM 0 HG2 LYS A 20 2.283 -3.830 -8.782 1.00 21.45 H new ATOM 0 HG3 LYS A 20 3.521 -2.799 -9.471 1.00 21.45 H new ATOM 0 HD2 LYS A 20 5.232 -4.567 -9.050 1.00 41.44 H new ATOM 0 HD3 LYS A 20 3.999 -5.598 -8.351 1.00 41.44 H new ATOM 0 HE2 LYS A 20 2.817 -5.755 -10.477 1.00 14.44 H new ATOM 0 HE3 LYS A 20 3.837 -4.527 -11.199 1.00 14.44 H new ATOM 0 HZ1 LYS A 20 4.514 -6.731 -11.864 1.00 31.33 H new ATOM 0 HZ2 LYS A 20 5.740 -5.998 -10.945 1.00 31.33 H new ATOM 0 HZ3 LYS A 20 4.750 -7.187 -10.245 1.00 31.33 H new ATOM 301 N LEU A 21 5.396 -1.810 -4.823 1.00 23.12 N ATOM 302 CA LEU A 21 5.358 -0.822 -3.760 1.00 53.30 C ATOM 303 C LEU A 21 6.669 -0.069 -3.626 1.00 31.34 C ATOM 304 O LEU A 21 6.643 1.113 -3.312 1.00 74.40 O ATOM 305 CB LEU A 21 5.062 -1.529 -2.439 1.00 50.33 C ATOM 306 CG LEU A 21 4.938 -0.563 -1.259 1.00 23.15 C ATOM 307 CD1 LEU A 21 3.867 0.517 -1.414 1.00 3.33 C ATOM 308 CD2 LEU A 21 4.645 -1.403 -0.030 1.00 33.03 C ATOM 0 H LEU A 21 5.515 -2.768 -4.493 1.00 23.12 H new ATOM 0 HA LEU A 21 4.581 -0.099 -4.007 1.00 53.30 H new ATOM 0 HB2 LEU A 21 4.136 -2.096 -2.536 1.00 50.33 H new ATOM 0 HB3 LEU A 21 5.855 -2.247 -2.232 1.00 50.33 H new ATOM 0 HG LEU A 21 5.875 -0.011 -1.187 1.00 23.15 H new ATOM 0 HD11 LEU A 21 3.858 1.150 -0.527 1.00 3.33 H new ATOM 0 HD12 LEU A 21 4.088 1.125 -2.291 1.00 3.33 H new ATOM 0 HD13 LEU A 21 2.891 0.047 -1.535 1.00 3.33 H new ATOM 0 HD21 LEU A 21 4.548 -0.754 0.840 1.00 33.03 H new ATOM 0 HD22 LEU A 21 3.715 -1.952 -0.178 1.00 33.03 H new ATOM 0 HD23 LEU A 21 5.461 -2.107 0.132 1.00 33.03 H new ATOM 320 N ASP A 22 7.810 -0.729 -3.818 1.00 24.13 N ATOM 321 CA ASP A 22 9.115 -0.113 -3.558 1.00 4.21 C ATOM 322 C ASP A 22 9.269 1.210 -4.320 1.00 22.35 C ATOM 323 O ASP A 22 9.693 2.220 -3.760 1.00 64.12 O ATOM 324 CB ASP A 22 10.210 -1.118 -3.919 1.00 54.54 C ATOM 325 CG ASP A 22 11.578 -0.455 -4.097 1.00 25.01 C ATOM 326 OD1 ASP A 22 12.222 -0.090 -3.092 1.00 62.30 O ATOM 327 OD2 ASP A 22 12.005 -0.335 -5.265 1.00 21.33 O ATOM 0 H ASP A 22 7.860 -1.691 -4.153 1.00 24.13 H new ATOM 0 HA ASP A 22 9.201 0.137 -2.500 1.00 4.21 H new ATOM 0 HB2 ASP A 22 10.276 -1.875 -3.138 1.00 54.54 H new ATOM 0 HB3 ASP A 22 9.937 -1.633 -4.840 1.00 54.54 H new ATOM 332 N GLU A 23 8.804 1.226 -5.567 1.00 45.32 N ATOM 333 CA GLU A 23 8.805 2.317 -6.506 1.00 42.20 C ATOM 334 C GLU A 23 8.049 3.545 -5.960 1.00 70.23 C ATOM 335 O GLU A 23 8.427 4.683 -6.240 1.00 62.34 O ATOM 336 CB GLU A 23 8.137 1.681 -7.736 1.00 10.14 C ATOM 337 CG GLU A 23 7.862 2.672 -8.848 1.00 61.01 C ATOM 338 CD GLU A 23 7.005 2.070 -9.965 1.00 41.33 C ATOM 339 OE1 GLU A 23 7.258 0.925 -10.406 1.00 45.33 O ATOM 340 OE2 GLU A 23 5.986 2.697 -10.342 1.00 11.55 O ATOM 0 H GLU A 23 8.380 0.391 -5.972 1.00 45.32 H new ATOM 0 HA GLU A 23 9.794 2.718 -6.727 1.00 42.20 H new ATOM 0 HB2 GLU A 23 8.777 0.886 -8.118 1.00 10.14 H new ATOM 0 HB3 GLU A 23 7.199 1.217 -7.432 1.00 10.14 H new ATOM 0 HG2 GLU A 23 7.357 3.546 -8.436 1.00 61.01 H new ATOM 0 HG3 GLU A 23 8.808 3.018 -9.265 1.00 61.01 H new ATOM 347 N ILE A 24 6.990 3.330 -5.170 1.00 25.12 N ATOM 348 CA ILE A 24 6.181 4.378 -4.545 1.00 25.02 C ATOM 349 C ILE A 24 7.069 5.254 -3.651 1.00 1.42 C ATOM 350 O ILE A 24 6.913 6.475 -3.617 1.00 4.35 O ATOM 351 CB ILE A 24 5.032 3.736 -3.743 1.00 13.53 C ATOM 352 CG1 ILE A 24 4.214 2.733 -4.581 1.00 65.34 C ATOM 353 CG2 ILE A 24 4.088 4.765 -3.109 1.00 45.50 C ATOM 354 CD1 ILE A 24 3.477 3.269 -5.799 1.00 64.10 C ATOM 0 H ILE A 24 6.664 2.391 -4.942 1.00 25.12 H new ATOM 0 HA ILE A 24 5.743 5.016 -5.313 1.00 25.02 H new ATOM 0 HB ILE A 24 5.528 3.195 -2.937 1.00 13.53 H new ATOM 0 HG12 ILE A 24 4.889 1.946 -4.916 1.00 65.34 H new ATOM 0 HG13 ILE A 24 3.481 2.265 -3.924 1.00 65.34 H new ATOM 0 HG21 ILE A 24 3.302 4.247 -2.559 1.00 45.50 H new ATOM 0 HG22 ILE A 24 4.650 5.402 -2.426 1.00 45.50 H new ATOM 0 HG23 ILE A 24 3.640 5.378 -3.891 1.00 45.50 H new ATOM 0 HD11 ILE A 24 2.946 2.454 -6.291 1.00 64.10 H new ATOM 0 HD12 ILE A 24 2.763 4.031 -5.486 1.00 64.10 H new ATOM 0 HD13 ILE A 24 4.193 3.707 -6.494 1.00 64.10 H new ATOM 366 N TYR A 25 7.999 4.632 -2.928 1.00 73.41 N ATOM 367 CA TYR A 25 8.913 5.329 -2.040 1.00 14.34 C ATOM 368 C TYR A 25 10.049 5.946 -2.843 1.00 33.21 C ATOM 369 O TYR A 25 10.340 7.127 -2.669 1.00 1.51 O ATOM 370 CB TYR A 25 9.401 4.364 -0.950 1.00 51.52 C ATOM 371 CG TYR A 25 8.261 3.718 -0.181 1.00 11.42 C ATOM 372 CD1 TYR A 25 7.285 4.533 0.423 1.00 64.00 C ATOM 373 CD2 TYR A 25 8.128 2.317 -0.122 1.00 43.34 C ATOM 374 CE1 TYR A 25 6.162 3.972 1.048 1.00 30.15 C ATOM 375 CE2 TYR A 25 7.022 1.742 0.533 1.00 25.22 C ATOM 376 CZ TYR A 25 6.028 2.570 1.102 1.00 64.10 C ATOM 377 OH TYR A 25 4.923 2.034 1.682 1.00 63.24 O ATOM 0 H TYR A 25 8.136 3.621 -2.946 1.00 73.41 H new ATOM 0 HA TYR A 25 8.404 6.152 -1.538 1.00 14.34 H new ATOM 0 HB2 TYR A 25 10.012 3.585 -1.407 1.00 51.52 H new ATOM 0 HB3 TYR A 25 10.042 4.904 -0.254 1.00 51.52 H new ATOM 0 HD1 TYR A 25 7.403 5.606 0.405 1.00 64.00 H new ATOM 0 HD2 TYR A 25 8.874 1.684 -0.579 1.00 43.34 H new ATOM 0 HE1 TYR A 25 5.406 4.609 1.484 1.00 30.15 H new ATOM 0 HE2 TYR A 25 6.933 0.668 0.601 1.00 25.22 H new ATOM 0 HH TYR A 25 4.165 2.645 1.570 1.00 63.24 H new ATOM 387 N VAL A 26 10.661 5.184 -3.759 1.00 30.34 N ATOM 388 CA VAL A 26 11.785 5.643 -4.577 1.00 44.42 C ATOM 389 C VAL A 26 11.443 6.941 -5.306 1.00 63.41 C ATOM 390 O VAL A 26 12.241 7.876 -5.297 1.00 10.31 O ATOM 391 CB VAL A 26 12.210 4.548 -5.579 1.00 72.33 C ATOM 392 CG1 VAL A 26 13.339 5.011 -6.513 1.00 61.02 C ATOM 393 CG2 VAL A 26 12.714 3.312 -4.834 1.00 44.11 C ATOM 0 H VAL A 26 10.385 4.222 -3.953 1.00 30.34 H new ATOM 0 HA VAL A 26 12.624 5.846 -3.912 1.00 44.42 H new ATOM 0 HB VAL A 26 11.324 4.321 -6.172 1.00 72.33 H new ATOM 0 HG11 VAL A 26 13.600 4.203 -7.197 1.00 61.02 H new ATOM 0 HG12 VAL A 26 13.006 5.877 -7.084 1.00 61.02 H new ATOM 0 HG13 VAL A 26 14.213 5.281 -5.921 1.00 61.02 H new ATOM 0 HG21 VAL A 26 13.010 2.549 -5.554 1.00 44.11 H new ATOM 0 HG22 VAL A 26 13.572 3.583 -4.219 1.00 44.11 H new ATOM 0 HG23 VAL A 26 11.920 2.922 -4.197 1.00 44.11 H new ATOM 403 N ALA A 27 10.263 7.021 -5.926 1.00 73.12 N ATOM 404 CA ALA A 27 9.855 8.175 -6.716 1.00 42.52 C ATOM 405 C ALA A 27 9.535 9.408 -5.868 1.00 3.25 C ATOM 406 O ALA A 27 9.177 10.444 -6.434 1.00 53.52 O ATOM 407 CB ALA A 27 8.667 7.774 -7.586 1.00 33.22 C ATOM 0 H ALA A 27 9.563 6.280 -5.891 1.00 73.12 H new ATOM 0 HA ALA A 27 10.697 8.471 -7.342 1.00 42.52 H new ATOM 0 HB1 ALA A 27 8.349 8.628 -8.184 1.00 33.22 H new ATOM 0 HB2 ALA A 27 8.959 6.957 -8.246 1.00 33.22 H new ATOM 0 HB3 ALA A 27 7.843 7.450 -6.950 1.00 33.22 H new ATOM 413 N GLY A 28 9.634 9.299 -4.540 1.00 10.32 N ATOM 414 CA GLY A 28 9.544 10.413 -3.622 1.00 11.21 C ATOM 415 C GLY A 28 8.107 10.859 -3.392 1.00 21.41 C ATOM 416 O GLY A 28 7.876 12.050 -3.190 1.00 11.42 O ATOM 0 H GLY A 28 9.783 8.405 -4.072 1.00 10.32 H new ATOM 0 HA2 GLY A 28 9.992 10.132 -2.669 1.00 11.21 H new ATOM 0 HA3 GLY A 28 10.124 11.250 -4.012 1.00 11.21 H new ATOM 420 N LEU A 29 7.131 9.943 -3.434 1.00 11.31 N ATOM 421 CA LEU A 29 5.766 10.266 -3.033 1.00 31.11 C ATOM 422 C LEU A 29 5.744 10.274 -1.505 1.00 34.12 C ATOM 423 O LEU A 29 5.951 11.307 -0.865 1.00 10.35 O ATOM 424 CB LEU A 29 4.741 9.300 -3.652 1.00 13.24 C ATOM 425 CG LEU A 29 4.689 9.447 -5.185 1.00 63.04 C ATOM 426 CD1 LEU A 29 5.379 8.265 -5.864 1.00 72.01 C ATOM 427 CD2 LEU A 29 3.243 9.567 -5.651 1.00 43.50 C ATOM 0 H LEU A 29 7.265 8.979 -3.740 1.00 11.31 H new ATOM 0 HA LEU A 29 5.470 11.246 -3.408 1.00 31.11 H new ATOM 0 HB2 LEU A 29 5.001 8.274 -3.391 1.00 13.24 H new ATOM 0 HB3 LEU A 29 3.754 9.495 -3.232 1.00 13.24 H new ATOM 0 HG LEU A 29 5.222 10.355 -5.466 1.00 63.04 H new ATOM 0 HD11 LEU A 29 5.331 8.388 -6.946 1.00 72.01 H new ATOM 0 HD12 LEU A 29 6.422 8.223 -5.549 1.00 72.01 H new ATOM 0 HD13 LEU A 29 4.877 7.340 -5.582 1.00 72.01 H new ATOM 0 HD21 LEU A 29 3.218 9.670 -6.736 1.00 43.50 H new ATOM 0 HD22 LEU A 29 2.691 8.674 -5.359 1.00 43.50 H new ATOM 0 HD23 LEU A 29 2.784 10.443 -5.192 1.00 43.50 H new ATOM 439 N VAL A 30 5.560 9.100 -0.912 1.00 71.24 N ATOM 440 CA VAL A 30 5.499 8.905 0.539 1.00 63.31 C ATOM 441 C VAL A 30 6.817 8.311 1.049 1.00 32.24 C ATOM 442 O VAL A 30 7.710 8.031 0.243 1.00 70.23 O ATOM 443 CB VAL A 30 4.268 8.045 0.882 1.00 5.23 C ATOM 444 CG1 VAL A 30 2.974 8.849 0.734 1.00 23.15 C ATOM 445 CG2 VAL A 30 4.133 6.796 0.000 1.00 71.01 C ATOM 0 H VAL A 30 5.446 8.233 -1.437 1.00 71.24 H new ATOM 0 HA VAL A 30 5.379 9.860 1.050 1.00 63.31 H new ATOM 0 HB VAL A 30 4.423 7.733 1.915 1.00 5.23 H new ATOM 0 HG11 VAL A 30 2.122 8.216 0.983 1.00 23.15 H new ATOM 0 HG12 VAL A 30 2.999 9.705 1.408 1.00 23.15 H new ATOM 0 HG13 VAL A 30 2.878 9.199 -0.294 1.00 23.15 H new ATOM 0 HG21 VAL A 30 3.246 6.236 0.295 1.00 71.01 H new ATOM 0 HG22 VAL A 30 4.042 7.096 -1.044 1.00 71.01 H new ATOM 0 HG23 VAL A 30 5.015 6.168 0.122 1.00 71.01 H new ATOM 455 N ALA A 31 6.968 8.144 2.365 1.00 21.33 N ATOM 456 CA ALA A 31 8.133 7.516 2.970 1.00 30.14 C ATOM 457 C ALA A 31 7.846 6.060 3.361 1.00 54.42 C ATOM 458 O ALA A 31 6.709 5.675 3.634 1.00 63.31 O ATOM 459 CB ALA A 31 8.541 8.319 4.205 1.00 54.44 C ATOM 0 H ALA A 31 6.271 8.447 3.045 1.00 21.33 H new ATOM 0 HA ALA A 31 8.944 7.507 2.242 1.00 30.14 H new ATOM 0 HB1 ALA A 31 9.414 7.857 4.667 1.00 54.44 H new ATOM 0 HB2 ALA A 31 8.783 9.340 3.911 1.00 54.44 H new ATOM 0 HB3 ALA A 31 7.717 8.333 4.919 1.00 54.44 H new ATOM 465 N HIS A 32 8.908 5.269 3.500 1.00 43.13 N ATOM 466 CA HIS A 32 8.845 3.855 3.883 1.00 40.41 C ATOM 467 C HIS A 32 8.294 3.617 5.308 1.00 51.24 C ATOM 468 O HIS A 32 8.046 2.473 5.685 1.00 35.42 O ATOM 469 CB HIS A 32 10.254 3.262 3.776 1.00 54.42 C ATOM 470 CG HIS A 32 11.109 3.609 4.972 1.00 34.14 C ATOM 471 ND1 HIS A 32 11.273 2.800 6.070 1.00 42.43 N ATOM 472 CD2 HIS A 32 11.678 4.818 5.270 1.00 4.15 C ATOM 473 CE1 HIS A 32 11.935 3.491 7.007 1.00 61.53 C ATOM 474 NE2 HIS A 32 12.210 4.732 6.562 1.00 23.13 N ATOM 0 H HIS A 32 9.861 5.599 3.346 1.00 43.13 H new ATOM 0 HA HIS A 32 8.147 3.367 3.203 1.00 40.41 H new ATOM 0 HB2 HIS A 32 10.185 2.178 3.683 1.00 54.42 H new ATOM 0 HB3 HIS A 32 10.734 3.630 2.869 1.00 54.42 H new ATOM 0 HD2 HIS A 32 11.711 5.683 4.624 1.00 4.15 H new ATOM 0 HE1 HIS A 32 12.209 3.108 7.979 1.00 61.53 H new ATOM 0 HE2 HIS A 32 12.708 5.465 7.067 1.00 23.13 H new ATOM 482 N SER A 33 8.114 4.677 6.098 1.00 64.00 N ATOM 483 CA SER A 33 7.769 4.647 7.518 1.00 55.30 C ATOM 484 C SER A 33 6.490 5.455 7.768 1.00 12.14 C ATOM 485 O SER A 33 6.133 5.728 8.911 1.00 20.22 O ATOM 486 CB SER A 33 8.978 5.193 8.297 1.00 35.14 C ATOM 487 OG SER A 33 9.024 4.760 9.640 1.00 54.40 O ATOM 0 H SER A 33 8.210 5.629 5.745 1.00 64.00 H new ATOM 0 HA SER A 33 7.558 3.633 7.857 1.00 55.30 H new ATOM 0 HB2 SER A 33 9.894 4.886 7.793 1.00 35.14 H new ATOM 0 HB3 SER A 33 8.952 6.282 8.275 1.00 35.14 H new ATOM 0 HG SER A 33 9.814 5.139 10.079 1.00 54.40 H new ATOM 493 N ASP A 34 5.803 5.889 6.703 1.00 21.35 N ATOM 494 CA ASP A 34 4.737 6.884 6.806 1.00 23.05 C ATOM 495 C ASP A 34 3.479 6.361 7.502 1.00 22.25 C ATOM 496 O ASP A 34 2.631 7.163 7.882 1.00 74.02 O ATOM 497 CB ASP A 34 4.363 7.421 5.410 1.00 63.22 C ATOM 498 CG ASP A 34 4.612 8.918 5.269 1.00 15.25 C ATOM 499 OD1 ASP A 34 4.318 9.691 6.214 1.00 74.03 O ATOM 500 OD2 ASP A 34 5.131 9.323 4.203 1.00 5.12 O ATOM 0 H ASP A 34 5.972 5.560 5.752 1.00 21.35 H new ATOM 0 HA ASP A 34 5.137 7.686 7.426 1.00 23.05 H new ATOM 0 HB2 ASP A 34 4.940 6.888 4.654 1.00 63.22 H new ATOM 0 HB3 ASP A 34 3.311 7.212 5.215 1.00 63.22 H new ATOM 505 N LEU A 35 3.336 5.042 7.647 1.00 51.11 N ATOM 506 CA LEU A 35 2.059 4.385 7.881 1.00 61.23 C ATOM 507 C LEU A 35 1.878 4.010 9.343 1.00 33.13 C ATOM 508 O LEU A 35 2.844 3.671 10.022 1.00 12.14 O ATOM 509 CB LEU A 35 1.979 3.111 7.028 1.00 23.34 C ATOM 510 CG LEU A 35 2.023 3.302 5.505 1.00 42.44 C ATOM 511 CD1 LEU A 35 0.977 4.318 5.036 1.00 63.12 C ATOM 512 CD2 LEU A 35 3.415 3.651 4.960 1.00 40.23 C ATOM 0 H LEU A 35 4.122 4.393 7.603 1.00 51.11 H new ATOM 0 HA LEU A 35 1.269 5.084 7.607 1.00 61.23 H new ATOM 0 HB2 LEU A 35 2.803 2.457 7.314 1.00 23.34 H new ATOM 0 HB3 LEU A 35 1.056 2.589 7.280 1.00 23.34 H new ATOM 0 HG LEU A 35 1.775 2.328 5.085 1.00 42.44 H new ATOM 0 HD11 LEU A 35 1.037 4.428 3.953 1.00 63.12 H new ATOM 0 HD12 LEU A 35 -0.018 3.969 5.311 1.00 63.12 H new ATOM 0 HD13 LEU A 35 1.167 5.281 5.510 1.00 63.12 H new ATOM 0 HD21 LEU A 35 3.363 3.770 3.878 1.00 40.23 H new ATOM 0 HD22 LEU A 35 3.759 4.582 5.411 1.00 40.23 H new ATOM 0 HD23 LEU A 35 4.113 2.850 5.204 1.00 40.23 H new ATOM 524 N ASP A 36 0.623 3.974 9.791 1.00 33.34 N ATOM 525 CA ASP A 36 0.261 3.600 11.153 1.00 13.54 C ATOM 526 C ASP A 36 0.240 2.077 11.213 1.00 20.12 C ATOM 527 O ASP A 36 0.014 1.405 10.202 1.00 11.11 O ATOM 528 CB ASP A 36 -1.143 4.095 11.555 1.00 35.35 C ATOM 529 CG ASP A 36 -1.395 5.607 11.560 1.00 15.55 C ATOM 530 OD1 ASP A 36 -0.460 6.412 11.352 1.00 15.44 O ATOM 531 OD2 ASP A 36 -2.590 5.970 11.694 1.00 0.54 O ATOM 0 H ASP A 36 -0.180 4.208 9.207 1.00 33.34 H new ATOM 0 HA ASP A 36 0.985 4.051 11.832 1.00 13.54 H new ATOM 0 HB2 ASP A 36 -1.865 3.638 10.879 1.00 35.35 H new ATOM 0 HB3 ASP A 36 -1.358 3.717 12.554 1.00 35.35 H new ATOM 536 N GLU A 37 0.353 1.517 12.413 1.00 53.23 N ATOM 537 CA GLU A 37 0.456 0.075 12.612 1.00 32.25 C ATOM 538 C GLU A 37 -0.793 -0.680 12.116 1.00 1.21 C ATOM 539 O GLU A 37 -0.699 -1.823 11.658 1.00 0.31 O ATOM 540 CB GLU A 37 0.732 -0.182 14.095 1.00 51.24 C ATOM 541 CG GLU A 37 1.317 -1.578 14.313 1.00 3.25 C ATOM 542 CD GLU A 37 1.690 -1.765 15.777 1.00 60.11 C ATOM 543 OE1 GLU A 37 0.764 -1.887 16.614 1.00 23.03 O ATOM 544 OE2 GLU A 37 2.904 -1.728 16.087 1.00 35.35 O ATOM 0 H GLU A 37 0.376 2.054 13.280 1.00 53.23 H new ATOM 0 HA GLU A 37 1.279 -0.313 12.012 1.00 32.25 H new ATOM 0 HB2 GLU A 37 1.425 0.569 14.475 1.00 51.24 H new ATOM 0 HB3 GLU A 37 -0.192 -0.079 14.663 1.00 51.24 H new ATOM 0 HG2 GLU A 37 0.592 -2.335 14.015 1.00 3.25 H new ATOM 0 HG3 GLU A 37 2.197 -1.714 13.685 1.00 3.25 H new ATOM 551 N ARG A 38 -1.965 -0.033 12.140 1.00 54.42 N ATOM 552 CA ARG A 38 -3.200 -0.623 11.608 1.00 44.52 C ATOM 553 C ARG A 38 -3.166 -0.763 10.092 1.00 2.11 C ATOM 554 O ARG A 38 -3.822 -1.646 9.542 1.00 74.43 O ATOM 555 CB ARG A 38 -4.436 0.209 11.967 1.00 33.10 C ATOM 556 CG ARG A 38 -4.481 0.680 13.422 1.00 14.24 C ATOM 557 CD ARG A 38 -5.922 0.942 13.857 1.00 33.32 C ATOM 558 NE ARG A 38 -6.567 -0.317 14.253 1.00 72.45 N ATOM 559 CZ ARG A 38 -7.529 -0.418 15.165 1.00 4.44 C ATOM 560 NH1 ARG A 38 -8.357 0.602 15.365 1.00 44.55 N ATOM 561 NH2 ARG A 38 -7.626 -1.533 15.874 1.00 11.24 N ATOM 0 H ARG A 38 -2.084 0.904 12.524 1.00 54.42 H new ATOM 0 HA ARG A 38 -3.266 -1.608 12.069 1.00 44.52 H new ATOM 0 HB2 ARG A 38 -4.474 1.081 11.314 1.00 33.10 H new ATOM 0 HB3 ARG A 38 -5.329 -0.382 11.761 1.00 33.10 H new ATOM 0 HG2 ARG A 38 -4.032 -0.074 14.068 1.00 14.24 H new ATOM 0 HG3 ARG A 38 -3.890 1.589 13.534 1.00 14.24 H new ATOM 0 HD2 ARG A 38 -5.936 1.645 14.690 1.00 33.32 H new ATOM 0 HD3 ARG A 38 -6.478 1.404 13.041 1.00 33.32 H new ATOM 0 HE ARG A 38 -6.255 -1.174 13.796 1.00 72.45 H new ATOM 0 HH11 ARG A 38 -8.253 1.458 14.820 1.00 44.55 H new ATOM 0 HH12 ARG A 38 -9.097 0.529 16.064 1.00 44.55 H new ATOM 0 HH21 ARG A 38 -6.969 -2.297 15.716 1.00 11.24 H new ATOM 0 HH22 ARG A 38 -8.358 -1.628 16.578 1.00 11.24 H new ATOM 575 N ALA A 39 -2.454 0.133 9.409 1.00 21.03 N ATOM 576 CA ALA A 39 -2.313 0.079 7.969 1.00 74.24 C ATOM 577 C ALA A 39 -1.339 -1.030 7.582 1.00 1.20 C ATOM 578 O ALA A 39 -1.473 -1.598 6.500 1.00 3.11 O ATOM 579 CB ALA A 39 -1.855 1.436 7.432 1.00 40.12 C ATOM 0 H ALA A 39 -1.962 0.913 9.845 1.00 21.03 H new ATOM 0 HA ALA A 39 -3.280 -0.148 7.520 1.00 74.24 H new ATOM 0 HB1 ALA A 39 -1.753 1.383 6.348 1.00 40.12 H new ATOM 0 HB2 ALA A 39 -2.592 2.197 7.690 1.00 40.12 H new ATOM 0 HB3 ALA A 39 -0.894 1.697 7.875 1.00 40.12 H new ATOM 585 N ILE A 40 -0.356 -1.342 8.427 1.00 24.11 N ATOM 586 CA ILE A 40 0.491 -2.519 8.223 1.00 60.33 C ATOM 587 C ILE A 40 -0.369 -3.785 8.350 1.00 51.33 C ATOM 588 O ILE A 40 -0.378 -4.630 7.451 1.00 44.23 O ATOM 589 CB ILE A 40 1.659 -2.563 9.231 1.00 53.23 C ATOM 590 CG1 ILE A 40 2.364 -1.219 9.469 1.00 73.10 C ATOM 591 CG2 ILE A 40 2.692 -3.642 8.862 1.00 44.51 C ATOM 592 CD1 ILE A 40 3.011 -0.523 8.275 1.00 33.24 C ATOM 0 H ILE A 40 -0.126 -0.797 9.258 1.00 24.11 H new ATOM 0 HA ILE A 40 0.926 -2.463 7.225 1.00 60.33 H new ATOM 0 HB ILE A 40 1.181 -2.822 10.176 1.00 53.23 H new ATOM 0 HG12 ILE A 40 1.635 -0.532 9.900 1.00 73.10 H new ATOM 0 HG13 ILE A 40 3.137 -1.377 10.221 1.00 73.10 H new ATOM 0 HG21 ILE A 40 3.498 -3.640 9.596 1.00 44.51 H new ATOM 0 HG22 ILE A 40 2.210 -4.620 8.854 1.00 44.51 H new ATOM 0 HG23 ILE A 40 3.101 -3.431 7.874 1.00 44.51 H new ATOM 0 HD11 ILE A 40 3.467 0.412 8.602 1.00 33.24 H new ATOM 0 HD12 ILE A 40 3.777 -1.170 7.848 1.00 33.24 H new ATOM 0 HD13 ILE A 40 2.252 -0.313 7.521 1.00 33.24 H new ATOM 604 N GLU A 41 -1.098 -3.900 9.461 1.00 71.12 N ATOM 605 CA GLU A 41 -1.865 -5.082 9.817 1.00 55.42 C ATOM 606 C GLU A 41 -2.957 -5.360 8.784 1.00 2.10 C ATOM 607 O GLU A 41 -3.141 -6.508 8.378 1.00 44.25 O ATOM 608 CB GLU A 41 -2.477 -4.831 11.202 1.00 60.02 C ATOM 609 CG GLU A 41 -3.352 -5.984 11.711 1.00 75.15 C ATOM 610 CD GLU A 41 -4.311 -5.565 12.820 1.00 15.21 C ATOM 611 OE1 GLU A 41 -4.071 -4.559 13.527 1.00 43.22 O ATOM 612 OE2 GLU A 41 -5.370 -6.213 12.965 1.00 63.11 O ATOM 0 H GLU A 41 -1.169 -3.152 10.151 1.00 71.12 H new ATOM 0 HA GLU A 41 -1.219 -5.960 9.837 1.00 55.42 H new ATOM 0 HB2 GLU A 41 -1.674 -4.654 11.917 1.00 60.02 H new ATOM 0 HB3 GLU A 41 -3.077 -3.922 11.164 1.00 60.02 H new ATOM 0 HG2 GLU A 41 -3.925 -6.392 10.878 1.00 75.15 H new ATOM 0 HG3 GLU A 41 -2.710 -6.785 12.078 1.00 75.15 H new ATOM 619 N ALA A 42 -3.724 -4.340 8.395 1.00 35.41 N ATOM 620 CA ALA A 42 -4.849 -4.531 7.492 1.00 74.24 C ATOM 621 C ALA A 42 -4.389 -4.961 6.099 1.00 12.31 C ATOM 622 O ALA A 42 -5.105 -5.703 5.430 1.00 75.23 O ATOM 623 CB ALA A 42 -5.699 -3.268 7.432 1.00 4.41 C ATOM 0 H ALA A 42 -3.583 -3.375 8.694 1.00 35.41 H new ATOM 0 HA ALA A 42 -5.464 -5.340 7.885 1.00 74.24 H new ATOM 0 HB1 ALA A 42 -6.537 -3.425 6.753 1.00 4.41 H new ATOM 0 HB2 ALA A 42 -6.077 -3.036 8.428 1.00 4.41 H new ATOM 0 HB3 ALA A 42 -5.092 -2.437 7.073 1.00 4.41 H new ATOM 629 N LEU A 43 -3.187 -4.563 5.671 1.00 1.54 N ATOM 630 CA LEU A 43 -2.579 -5.047 4.443 1.00 63.43 C ATOM 631 C LEU A 43 -2.452 -6.570 4.434 1.00 63.21 C ATOM 632 O LEU A 43 -2.813 -7.226 3.453 1.00 0.44 O ATOM 633 CB LEU A 43 -1.212 -4.363 4.290 1.00 43.41 C ATOM 634 CG LEU A 43 -1.286 -3.378 3.134 1.00 44.52 C ATOM 635 CD1 LEU A 43 -0.063 -2.484 3.167 1.00 13.14 C ATOM 636 CD2 LEU A 43 -1.360 -4.077 1.768 1.00 20.01 C ATOM 0 H LEU A 43 -2.610 -3.890 6.176 1.00 1.54 H new ATOM 0 HA LEU A 43 -3.215 -4.797 3.594 1.00 63.43 H new ATOM 0 HB2 LEU A 43 -0.943 -3.845 5.211 1.00 43.41 H new ATOM 0 HB3 LEU A 43 -0.436 -5.106 4.104 1.00 43.41 H new ATOM 0 HG LEU A 43 -2.200 -2.797 3.255 1.00 44.52 H new ATOM 0 HD11 LEU A 43 -0.109 -1.774 2.341 1.00 13.14 H new ATOM 0 HD12 LEU A 43 -0.035 -1.940 4.111 1.00 13.14 H new ATOM 0 HD13 LEU A 43 0.836 -3.093 3.073 1.00 13.14 H new ATOM 0 HD21 LEU A 43 -1.411 -3.328 0.978 1.00 20.01 H new ATOM 0 HD22 LEU A 43 -0.472 -4.694 1.626 1.00 20.01 H new ATOM 0 HD23 LEU A 43 -2.249 -4.706 1.729 1.00 20.01 H new ATOM 648 N LYS A 44 -1.995 -7.145 5.547 1.00 53.25 N ATOM 649 CA LYS A 44 -1.932 -8.588 5.769 1.00 53.23 C ATOM 650 C LYS A 44 -3.278 -9.299 5.563 1.00 2.34 C ATOM 651 O LYS A 44 -3.270 -10.512 5.383 1.00 35.13 O ATOM 652 CB LYS A 44 -1.419 -8.853 7.201 1.00 60.33 C ATOM 653 CG LYS A 44 -0.172 -9.738 7.273 1.00 42.54 C ATOM 654 CD LYS A 44 1.106 -8.978 6.880 1.00 12.45 C ATOM 655 CE LYS A 44 2.258 -9.329 7.817 1.00 72.44 C ATOM 656 NZ LYS A 44 2.842 -10.652 7.509 1.00 4.23 N ATOM 0 H LYS A 44 -1.649 -6.604 6.340 1.00 53.25 H new ATOM 0 HA LYS A 44 -1.250 -8.998 5.024 1.00 53.23 H new ATOM 0 HB2 LYS A 44 -1.199 -7.898 7.678 1.00 60.33 H new ATOM 0 HB3 LYS A 44 -2.216 -9.322 7.778 1.00 60.33 H new ATOM 0 HG2 LYS A 44 -0.064 -10.128 8.285 1.00 42.54 H new ATOM 0 HG3 LYS A 44 -0.299 -10.596 6.613 1.00 42.54 H new ATOM 0 HD2 LYS A 44 1.379 -9.224 5.854 1.00 12.45 H new ATOM 0 HD3 LYS A 44 0.920 -7.904 6.912 1.00 12.45 H new ATOM 0 HE2 LYS A 44 3.032 -8.565 7.741 1.00 72.44 H new ATOM 0 HE3 LYS A 44 1.902 -9.321 8.847 1.00 72.44 H new ATOM 0 HZ1 LYS A 44 3.610 -10.857 8.180 1.00 4.23 H new ATOM 0 HZ2 LYS A 44 2.107 -11.383 7.589 1.00 4.23 H new ATOM 0 HZ3 LYS A 44 3.221 -10.647 6.541 1.00 4.23 H new ATOM 670 N GLU A 45 -4.424 -8.607 5.613 1.00 12.10 N ATOM 671 CA GLU A 45 -5.731 -9.261 5.515 1.00 0.54 C ATOM 672 C GLU A 45 -6.112 -9.597 4.069 1.00 73.44 C ATOM 673 O GLU A 45 -7.052 -10.375 3.871 1.00 1.33 O ATOM 674 CB GLU A 45 -6.839 -8.424 6.182 1.00 1.30 C ATOM 675 CG GLU A 45 -6.582 -8.185 7.678 1.00 55.35 C ATOM 676 CD GLU A 45 -7.627 -7.305 8.371 1.00 1.11 C ATOM 677 OE1 GLU A 45 -8.818 -7.252 7.970 1.00 33.40 O ATOM 678 OE2 GLU A 45 -7.270 -6.646 9.371 1.00 44.22 O ATOM 0 H GLU A 45 -4.470 -7.594 5.721 1.00 12.10 H new ATOM 0 HA GLU A 45 -5.639 -10.202 6.057 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -6.919 -7.463 5.673 1.00 1.30 H new ATOM 0 HB3 GLU A 45 -7.796 -8.931 6.058 1.00 1.30 H new ATOM 0 HG2 GLU A 45 -6.544 -9.149 8.185 1.00 55.35 H new ATOM 0 HG3 GLU A 45 -5.602 -7.724 7.796 1.00 55.35 H new ATOM 685 N PHE A 46 -5.422 -9.032 3.072 1.00 44.22 N ATOM 686 CA PHE A 46 -5.623 -9.279 1.654 1.00 12.21 C ATOM 687 C PHE A 46 -4.755 -10.464 1.211 1.00 22.32 C ATOM 688 O PHE A 46 -3.851 -10.909 1.920 1.00 2.33 O ATOM 689 CB PHE A 46 -5.258 -8.014 0.856 1.00 43.34 C ATOM 690 CG PHE A 46 -6.197 -6.831 1.037 1.00 63.44 C ATOM 691 CD1 PHE A 46 -6.017 -5.930 2.103 1.00 20.12 C ATOM 692 CD2 PHE A 46 -7.239 -6.604 0.117 1.00 4.10 C ATOM 693 CE1 PHE A 46 -6.883 -4.835 2.268 1.00 23.23 C ATOM 694 CE2 PHE A 46 -8.107 -5.513 0.282 1.00 30.02 C ATOM 695 CZ PHE A 46 -7.938 -4.628 1.360 1.00 64.01 C ATOM 0 H PHE A 46 -4.675 -8.360 3.248 1.00 44.22 H new ATOM 0 HA PHE A 46 -6.669 -9.523 1.467 1.00 12.21 H new ATOM 0 HB2 PHE A 46 -4.252 -7.704 1.140 1.00 43.34 H new ATOM 0 HB3 PHE A 46 -5.225 -8.271 -0.203 1.00 43.34 H new ATOM 0 HD1 PHE A 46 -5.206 -6.081 2.800 1.00 20.12 H new ATOM 0 HD2 PHE A 46 -7.371 -7.273 -0.720 1.00 4.10 H new ATOM 0 HE1 PHE A 46 -6.739 -4.152 3.092 1.00 23.23 H new ATOM 0 HE2 PHE A 46 -8.909 -5.353 -0.424 1.00 30.02 H new ATOM 0 HZ PHE A 46 -8.613 -3.795 1.491 1.00 64.01 H new ATOM 705 N ASN A 47 -5.019 -10.950 0.005 1.00 62.22 N ATOM 706 CA ASN A 47 -4.167 -11.860 -0.771 1.00 20.10 C ATOM 707 C ASN A 47 -3.315 -11.065 -1.751 1.00 41.32 C ATOM 708 O ASN A 47 -3.319 -9.833 -1.729 1.00 11.54 O ATOM 709 CB ASN A 47 -5.005 -12.900 -1.544 1.00 65.01 C ATOM 710 CG ASN A 47 -5.850 -12.293 -2.650 1.00 52.33 C ATOM 711 OD1 ASN A 47 -6.538 -11.298 -2.436 1.00 44.33 O ATOM 712 ND2 ASN A 47 -5.833 -12.852 -3.850 1.00 43.32 N ATOM 0 H ASN A 47 -5.878 -10.711 -0.490 1.00 62.22 H new ATOM 0 HA ASN A 47 -3.525 -12.393 -0.069 1.00 20.10 H new ATOM 0 HB2 ASN A 47 -4.337 -13.646 -1.975 1.00 65.01 H new ATOM 0 HB3 ASN A 47 -5.657 -13.423 -0.844 1.00 65.01 H new ATOM 0 HD21 ASN A 47 -6.394 -12.457 -4.605 1.00 43.32 H new ATOM 0 HD22 ASN A 47 -5.259 -13.678 -4.020 1.00 43.32 H new ATOM 719 N GLU A 48 -2.602 -11.780 -2.622 1.00 53.25 N ATOM 720 CA GLU A 48 -1.803 -11.283 -3.713 1.00 3.10 C ATOM 721 C GLU A 48 -2.593 -10.310 -4.583 1.00 43.52 C ATOM 722 O GLU A 48 -2.274 -9.127 -4.604 1.00 44.24 O ATOM 723 CB GLU A 48 -1.337 -12.521 -4.487 1.00 31.40 C ATOM 724 CG GLU A 48 -0.135 -12.257 -5.377 1.00 54.42 C ATOM 725 CD GLU A 48 0.275 -13.525 -6.140 1.00 63.24 C ATOM 726 OE1 GLU A 48 0.291 -14.608 -5.519 1.00 24.40 O ATOM 727 OE2 GLU A 48 0.559 -13.475 -7.364 1.00 23.42 O ATOM 0 H GLU A 48 -2.574 -12.798 -2.568 1.00 53.25 H new ATOM 0 HA GLU A 48 -0.947 -10.709 -3.359 1.00 3.10 H new ATOM 0 HB2 GLU A 48 -1.089 -13.311 -3.779 1.00 31.40 H new ATOM 0 HB3 GLU A 48 -2.160 -12.889 -5.100 1.00 31.40 H new ATOM 0 HG2 GLU A 48 -0.370 -11.462 -6.085 1.00 54.42 H new ATOM 0 HG3 GLU A 48 0.701 -11.907 -4.771 1.00 54.42 H new ATOM 734 N ASP A 49 -3.614 -10.796 -5.299 1.00 72.03 N ATOM 735 CA ASP A 49 -4.407 -9.980 -6.221 1.00 44.51 C ATOM 736 C ASP A 49 -5.115 -8.857 -5.477 1.00 3.13 C ATOM 737 O ASP A 49 -5.200 -7.745 -5.989 1.00 33.21 O ATOM 738 CB ASP A 49 -5.445 -10.839 -6.945 1.00 34.22 C ATOM 739 CG ASP A 49 -6.146 -10.136 -8.105 1.00 10.51 C ATOM 740 OD1 ASP A 49 -5.548 -9.228 -8.725 1.00 32.33 O ATOM 741 OD2 ASP A 49 -7.253 -10.589 -8.467 1.00 42.15 O ATOM 0 H ASP A 49 -3.913 -11.770 -5.254 1.00 72.03 H new ATOM 0 HA ASP A 49 -3.724 -9.548 -6.952 1.00 44.51 H new ATOM 0 HB2 ASP A 49 -4.956 -11.737 -7.322 1.00 34.22 H new ATOM 0 HB3 ASP A 49 -6.196 -11.163 -6.225 1.00 34.22 H new ATOM 746 N GLY A 50 -5.572 -9.146 -4.253 1.00 62.43 N ATOM 747 CA GLY A 50 -6.133 -8.184 -3.328 1.00 21.22 C ATOM 748 C GLY A 50 -5.208 -6.987 -3.178 1.00 45.31 C ATOM 749 O GLY A 50 -5.496 -5.919 -3.713 1.00 44.51 O ATOM 0 H GLY A 50 -5.556 -10.094 -3.876 1.00 62.43 H new ATOM 0 HA2 GLY A 50 -7.109 -7.854 -3.684 1.00 21.22 H new ATOM 0 HA3 GLY A 50 -6.290 -8.653 -2.357 1.00 21.22 H new ATOM 753 N ALA A 51 -4.104 -7.169 -2.451 1.00 30.11 N ATOM 754 CA ALA A 51 -3.160 -6.117 -2.094 1.00 31.24 C ATOM 755 C ALA A 51 -2.562 -5.444 -3.328 1.00 62.44 C ATOM 756 O ALA A 51 -2.469 -4.221 -3.370 1.00 5.54 O ATOM 757 CB ALA A 51 -2.051 -6.703 -1.220 1.00 70.24 C ATOM 0 H ALA A 51 -3.837 -8.083 -2.085 1.00 30.11 H new ATOM 0 HA ALA A 51 -3.701 -5.351 -1.539 1.00 31.24 H new ATOM 0 HB1 ALA A 51 -1.345 -5.917 -0.953 1.00 70.24 H new ATOM 0 HB2 ALA A 51 -2.486 -7.124 -0.313 1.00 70.24 H new ATOM 0 HB3 ALA A 51 -1.530 -7.487 -1.770 1.00 70.24 H new ATOM 763 N LEU A 52 -2.165 -6.226 -4.336 1.00 10.51 N ATOM 764 CA LEU A 52 -1.577 -5.728 -5.575 1.00 33.21 C ATOM 765 C LEU A 52 -2.570 -4.816 -6.303 1.00 33.41 C ATOM 766 O LEU A 52 -2.165 -3.787 -6.838 1.00 3.44 O ATOM 767 CB LEU A 52 -1.167 -6.949 -6.409 1.00 44.32 C ATOM 768 CG LEU A 52 -0.327 -6.639 -7.653 1.00 25.22 C ATOM 769 CD1 LEU A 52 1.073 -6.147 -7.277 1.00 71.13 C ATOM 770 CD2 LEU A 52 -0.195 -7.922 -8.484 1.00 1.22 C ATOM 0 H LEU A 52 -2.247 -7.242 -4.309 1.00 10.51 H new ATOM 0 HA LEU A 52 -0.694 -5.118 -5.384 1.00 33.21 H new ATOM 0 HB2 LEU A 52 -0.605 -7.632 -5.772 1.00 44.32 H new ATOM 0 HB3 LEU A 52 -2.069 -7.475 -6.722 1.00 44.32 H new ATOM 0 HG LEU A 52 -0.824 -5.851 -8.219 1.00 25.22 H new ATOM 0 HD11 LEU A 52 1.641 -5.937 -8.184 1.00 71.13 H new ATOM 0 HD12 LEU A 52 0.991 -5.238 -6.681 1.00 71.13 H new ATOM 0 HD13 LEU A 52 1.585 -6.915 -6.698 1.00 71.13 H new ATOM 0 HD21 LEU A 52 0.401 -7.719 -9.374 1.00 1.22 H new ATOM 0 HD22 LEU A 52 0.294 -8.693 -7.888 1.00 1.22 H new ATOM 0 HD23 LEU A 52 -1.186 -8.267 -8.781 1.00 1.22 H new ATOM 782 N ALA A 53 -3.872 -5.128 -6.277 1.00 34.41 N ATOM 783 CA ALA A 53 -4.877 -4.207 -6.790 1.00 42.42 C ATOM 784 C ALA A 53 -4.952 -2.937 -5.935 1.00 64.33 C ATOM 785 O ALA A 53 -4.945 -1.837 -6.481 1.00 31.04 O ATOM 786 CB ALA A 53 -6.242 -4.882 -6.882 1.00 45.54 C ATOM 0 H ALA A 53 -4.245 -6.003 -5.909 1.00 34.41 H new ATOM 0 HA ALA A 53 -4.577 -3.915 -7.796 1.00 42.42 H new ATOM 0 HB1 ALA A 53 -6.974 -4.172 -7.268 1.00 45.54 H new ATOM 0 HB2 ALA A 53 -6.180 -5.739 -7.552 1.00 45.54 H new ATOM 0 HB3 ALA A 53 -6.549 -5.218 -5.892 1.00 45.54 H new ATOM 792 N VAL A 54 -4.964 -3.057 -4.603 1.00 51.23 N ATOM 793 CA VAL A 54 -4.997 -1.892 -3.712 1.00 23.02 C ATOM 794 C VAL A 54 -3.774 -0.973 -3.951 1.00 34.30 C ATOM 795 O VAL A 54 -3.834 0.221 -3.648 1.00 65.43 O ATOM 796 CB VAL A 54 -5.137 -2.338 -2.230 1.00 52.15 C ATOM 797 CG1 VAL A 54 -5.597 -1.220 -1.294 1.00 13.40 C ATOM 798 CG2 VAL A 54 -6.155 -3.469 -1.978 1.00 73.25 C ATOM 0 H VAL A 54 -4.951 -3.953 -4.117 1.00 51.23 H new ATOM 0 HA VAL A 54 -5.879 -1.296 -3.947 1.00 23.02 H new ATOM 0 HB VAL A 54 -4.120 -2.671 -2.022 1.00 52.15 H new ATOM 0 HG11 VAL A 54 -5.672 -1.605 -0.277 1.00 13.40 H new ATOM 0 HG12 VAL A 54 -4.876 -0.403 -1.321 1.00 13.40 H new ATOM 0 HG13 VAL A 54 -6.572 -0.854 -1.616 1.00 13.40 H new ATOM 0 HG21 VAL A 54 -6.178 -3.707 -0.915 1.00 73.25 H new ATOM 0 HG22 VAL A 54 -7.145 -3.146 -2.299 1.00 73.25 H new ATOM 0 HG23 VAL A 54 -5.862 -4.355 -2.542 1.00 73.25 H new ATOM 808 N LEU A 55 -2.659 -1.479 -4.497 1.00 12.32 N ATOM 809 CA LEU A 55 -1.488 -0.684 -4.863 1.00 10.13 C ATOM 810 C LEU A 55 -1.764 0.109 -6.132 1.00 63.34 C ATOM 811 O LEU A 55 -1.494 1.311 -6.165 1.00 2.44 O ATOM 812 CB LEU A 55 -0.242 -1.558 -5.093 1.00 54.10 C ATOM 813 CG LEU A 55 0.403 -2.189 -3.850 1.00 61.03 C ATOM 814 CD1 LEU A 55 1.683 -2.907 -4.290 1.00 61.31 C ATOM 815 CD2 LEU A 55 0.775 -1.150 -2.790 1.00 11.42 C ATOM 0 H LEU A 55 -2.548 -2.473 -4.699 1.00 12.32 H new ATOM 0 HA LEU A 55 -1.291 -0.011 -4.028 1.00 10.13 H new ATOM 0 HB2 LEU A 55 -0.512 -2.360 -5.779 1.00 54.10 H new ATOM 0 HB3 LEU A 55 0.511 -0.950 -5.594 1.00 54.10 H new ATOM 0 HG LEU A 55 -0.321 -2.872 -3.406 1.00 61.03 H new ATOM 0 HD11 LEU A 55 2.160 -3.364 -3.423 1.00 61.31 H new ATOM 0 HD12 LEU A 55 1.435 -3.680 -5.017 1.00 61.31 H new ATOM 0 HD13 LEU A 55 2.366 -2.188 -4.743 1.00 61.31 H new ATOM 0 HD21 LEU A 55 1.227 -1.650 -1.933 1.00 11.42 H new ATOM 0 HD22 LEU A 55 1.485 -0.439 -3.211 1.00 11.42 H new ATOM 0 HD23 LEU A 55 -0.122 -0.620 -2.469 1.00 11.42 H new ATOM 827 N GLN A 56 -2.332 -0.547 -7.150 1.00 43.13 N ATOM 828 CA GLN A 56 -2.561 0.036 -8.467 1.00 10.44 C ATOM 829 C GLN A 56 -3.356 1.349 -8.373 1.00 54.25 C ATOM 830 O GLN A 56 -3.112 2.281 -9.145 1.00 3.14 O ATOM 831 CB GLN A 56 -3.195 -1.026 -9.398 1.00 41.45 C ATOM 832 CG GLN A 56 -4.737 -1.015 -9.506 1.00 62.41 C ATOM 833 CD GLN A 56 -5.398 -2.376 -9.766 1.00 32.44 C ATOM 834 OE1 GLN A 56 -6.580 -2.555 -9.480 1.00 42.53 O ATOM 835 NE2 GLN A 56 -4.714 -3.353 -10.332 1.00 74.12 N ATOM 0 H GLN A 56 -2.649 -1.514 -7.076 1.00 43.13 H new ATOM 0 HA GLN A 56 -1.610 0.323 -8.915 1.00 10.44 H new ATOM 0 HB2 GLN A 56 -2.782 -0.894 -10.398 1.00 41.45 H new ATOM 0 HB3 GLN A 56 -2.884 -2.012 -9.053 1.00 41.45 H new ATOM 0 HG2 GLN A 56 -5.144 -0.605 -8.582 1.00 62.41 H new ATOM 0 HG3 GLN A 56 -5.021 -0.335 -10.309 1.00 62.41 H new ATOM 0 HE21 GLN A 56 -3.733 -3.215 -10.573 1.00 74.12 H new ATOM 0 HE22 GLN A 56 -5.167 -4.246 -10.528 1.00 74.12 H new ATOM 844 N GLN A 57 -4.282 1.428 -7.409 1.00 34.42 N ATOM 845 CA GLN A 57 -5.141 2.600 -7.240 1.00 31.23 C ATOM 846 C GLN A 57 -4.483 3.662 -6.361 1.00 22.14 C ATOM 847 O GLN A 57 -4.781 4.847 -6.479 1.00 45.41 O ATOM 848 CB GLN A 57 -6.499 2.180 -6.660 1.00 21.42 C ATOM 849 CG GLN A 57 -7.634 3.027 -7.252 1.00 31.11 C ATOM 850 CD GLN A 57 -8.994 2.788 -6.584 1.00 53.23 C ATOM 851 OE1 GLN A 57 -9.620 3.706 -6.054 1.00 31.30 O ATOM 852 NE2 GLN A 57 -9.468 1.559 -6.535 1.00 70.15 N ATOM 0 H GLN A 57 -4.454 0.686 -6.731 1.00 34.42 H new ATOM 0 HA GLN A 57 -5.297 3.045 -8.223 1.00 31.23 H new ATOM 0 HB2 GLN A 57 -6.679 1.126 -6.871 1.00 21.42 H new ATOM 0 HB3 GLN A 57 -6.485 2.290 -5.576 1.00 21.42 H new ATOM 0 HG2 GLN A 57 -7.374 4.082 -7.160 1.00 31.11 H new ATOM 0 HG3 GLN A 57 -7.719 2.811 -8.317 1.00 31.11 H new ATOM 0 HE21 GLN A 57 -8.952 0.796 -6.973 1.00 70.15 H new ATOM 0 HE22 GLN A 57 -10.350 1.371 -6.059 1.00 70.15 H new ATOM 861 N PHE A 58 -3.574 3.256 -5.473 1.00 32.32 N ATOM 862 CA PHE A 58 -2.853 4.157 -4.577 1.00 22.01 C ATOM 863 C PHE A 58 -1.906 5.097 -5.335 1.00 71.41 C ATOM 864 O PHE A 58 -1.657 6.220 -4.897 1.00 10.41 O ATOM 865 CB PHE A 58 -2.099 3.335 -3.529 1.00 22.21 C ATOM 866 CG PHE A 58 -1.365 4.182 -2.513 1.00 32.25 C ATOM 867 CD1 PHE A 58 -2.044 4.694 -1.390 1.00 70.14 C ATOM 868 CD2 PHE A 58 -0.008 4.496 -2.718 1.00 10.35 C ATOM 869 CE1 PHE A 58 -1.351 5.486 -0.463 1.00 73.21 C ATOM 870 CE2 PHE A 58 0.666 5.326 -1.810 1.00 25.03 C ATOM 871 CZ PHE A 58 -0.003 5.804 -0.679 1.00 72.14 C ATOM 0 H PHE A 58 -3.315 2.276 -5.356 1.00 32.32 H new ATOM 0 HA PHE A 58 -3.581 4.796 -4.078 1.00 22.01 H new ATOM 0 HB2 PHE A 58 -2.805 2.688 -3.009 1.00 22.21 H new ATOM 0 HB3 PHE A 58 -1.384 2.685 -4.034 1.00 22.21 H new ATOM 0 HD1 PHE A 58 -3.092 4.478 -1.244 1.00 70.14 H new ATOM 0 HD2 PHE A 58 0.514 4.097 -3.575 1.00 10.35 H new ATOM 0 HE1 PHE A 58 -1.857 5.851 0.419 1.00 73.21 H new ATOM 0 HE2 PHE A 58 1.697 5.595 -1.984 1.00 25.03 H new ATOM 0 HZ PHE A 58 0.523 6.423 0.033 1.00 72.14 H new ATOM 881 N LYS A 59 -1.362 4.665 -6.478 1.00 70.42 N ATOM 882 CA LYS A 59 -0.665 5.574 -7.389 1.00 23.15 C ATOM 883 C LYS A 59 -1.650 6.400 -8.221 1.00 41.34 C ATOM 884 O LYS A 59 -1.308 7.503 -8.633 1.00 33.33 O ATOM 885 CB LYS A 59 0.336 4.792 -8.256 1.00 13.14 C ATOM 886 CG LYS A 59 1.160 5.663 -9.222 1.00 54.50 C ATOM 887 CD LYS A 59 1.923 6.848 -8.594 1.00 61.44 C ATOM 888 CE LYS A 59 3.025 6.451 -7.605 1.00 64.24 C ATOM 889 NZ LYS A 59 4.091 5.653 -8.252 1.00 34.43 N ATOM 0 H LYS A 59 -1.392 3.695 -6.792 1.00 70.42 H new ATOM 0 HA LYS A 59 -0.095 6.292 -6.799 1.00 23.15 H new ATOM 0 HB2 LYS A 59 1.019 4.251 -7.601 1.00 13.14 H new ATOM 0 HB3 LYS A 59 -0.209 4.046 -8.834 1.00 13.14 H new ATOM 0 HG2 LYS A 59 1.881 5.022 -9.729 1.00 54.50 H new ATOM 0 HG3 LYS A 59 0.489 6.055 -9.986 1.00 54.50 H new ATOM 0 HD2 LYS A 59 2.368 7.440 -9.394 1.00 61.44 H new ATOM 0 HD3 LYS A 59 1.208 7.491 -8.081 1.00 61.44 H new ATOM 0 HE2 LYS A 59 3.460 7.350 -7.167 1.00 64.24 H new ATOM 0 HE3 LYS A 59 2.589 5.877 -6.787 1.00 64.24 H new ATOM 0 HZ1 LYS A 59 4.856 5.478 -7.570 1.00 34.43 H new ATOM 0 HZ2 LYS A 59 3.699 4.745 -8.573 1.00 34.43 H new ATOM 0 HZ3 LYS A 59 4.468 6.175 -9.069 1.00 34.43 H new ATOM 903 N ASP A 60 -2.865 5.910 -8.447 1.00 32.40 N ATOM 904 CA ASP A 60 -3.895 6.564 -9.257 1.00 45.34 C ATOM 905 C ASP A 60 -4.619 7.664 -8.464 1.00 44.43 C ATOM 906 O ASP A 60 -5.852 7.703 -8.435 1.00 13.43 O ATOM 907 CB ASP A 60 -4.877 5.495 -9.771 1.00 44.32 C ATOM 908 CG ASP A 60 -5.733 5.997 -10.933 1.00 30.42 C ATOM 909 OD1 ASP A 60 -5.156 6.341 -11.990 1.00 13.22 O ATOM 910 OD2 ASP A 60 -6.976 5.880 -10.878 1.00 41.54 O ATOM 0 H ASP A 60 -3.173 5.018 -8.060 1.00 32.40 H new ATOM 0 HA ASP A 60 -3.425 7.056 -10.109 1.00 45.34 H new ATOM 0 HB2 ASP A 60 -4.317 4.616 -10.090 1.00 44.32 H new ATOM 0 HB3 ASP A 60 -5.527 5.181 -8.954 1.00 44.32 H new ATOM 915 N SER A 61 -3.889 8.516 -7.737 1.00 24.12 N ATOM 916 CA SER A 61 -4.402 9.684 -7.029 1.00 21.21 C ATOM 917 C SER A 61 -3.269 10.666 -6.714 1.00 45.13 C ATOM 918 O SER A 61 -2.105 10.448 -7.056 1.00 32.03 O ATOM 919 CB SER A 61 -5.166 9.259 -5.765 1.00 62.34 C ATOM 920 OG SER A 61 -6.443 8.782 -6.145 1.00 71.23 O ATOM 0 H SER A 61 -2.882 8.402 -7.624 1.00 24.12 H new ATOM 0 HA SER A 61 -5.109 10.203 -7.675 1.00 21.21 H new ATOM 0 HB2 SER A 61 -4.615 8.483 -5.234 1.00 62.34 H new ATOM 0 HB3 SER A 61 -5.266 10.103 -5.082 1.00 62.34 H new ATOM 0 HG SER A 61 -6.438 8.557 -7.099 1.00 71.23 H new ATOM 926 N ASP A 62 -3.651 11.774 -6.094 1.00 52.42 N ATOM 927 CA ASP A 62 -3.117 13.121 -6.189 1.00 21.24 C ATOM 928 C ASP A 62 -2.832 13.579 -4.759 1.00 5.32 C ATOM 929 O ASP A 62 -3.446 14.492 -4.208 1.00 32.45 O ATOM 930 CB ASP A 62 -4.094 14.033 -6.974 1.00 10.22 C ATOM 931 CG ASP A 62 -5.531 13.492 -7.066 1.00 53.52 C ATOM 932 OD1 ASP A 62 -6.151 13.178 -6.023 1.00 50.13 O ATOM 933 OD2 ASP A 62 -5.967 13.185 -8.197 1.00 44.12 O ATOM 0 H ASP A 62 -4.432 11.744 -5.438 1.00 52.42 H new ATOM 0 HA ASP A 62 -2.187 13.166 -6.756 1.00 21.24 H new ATOM 0 HB2 ASP A 62 -4.117 15.014 -6.499 1.00 10.22 H new ATOM 0 HB3 ASP A 62 -3.707 14.176 -7.983 1.00 10.22 H new ATOM 938 N LEU A 63 -1.853 12.910 -4.144 1.00 13.51 N ATOM 939 CA LEU A 63 -1.537 12.954 -2.711 1.00 32.25 C ATOM 940 C LEU A 63 -0.936 14.305 -2.271 1.00 74.33 C ATOM 941 O LEU A 63 -0.534 14.481 -1.121 1.00 63.23 O ATOM 942 CB LEU A 63 -0.582 11.800 -2.357 1.00 3.24 C ATOM 943 CG LEU A 63 -1.050 10.376 -2.752 1.00 33.24 C ATOM 944 CD1 LEU A 63 0.146 9.462 -3.042 1.00 63.24 C ATOM 945 CD2 LEU A 63 -1.870 9.728 -1.634 1.00 32.03 C ATOM 0 H LEU A 63 -1.226 12.291 -4.658 1.00 13.51 H new ATOM 0 HA LEU A 63 -2.475 12.841 -2.167 1.00 32.25 H new ATOM 0 HB2 LEU A 63 0.378 11.990 -2.838 1.00 3.24 H new ATOM 0 HB3 LEU A 63 -0.409 11.817 -1.281 1.00 3.24 H new ATOM 0 HG LEU A 63 -1.663 10.489 -3.646 1.00 33.24 H new ATOM 0 HD11 LEU A 63 -0.212 8.470 -3.316 1.00 63.24 H new ATOM 0 HD12 LEU A 63 0.730 9.877 -3.863 1.00 63.24 H new ATOM 0 HD13 LEU A 63 0.772 9.389 -2.153 1.00 63.24 H new ATOM 0 HD21 LEU A 63 -2.183 8.731 -1.943 1.00 32.03 H new ATOM 0 HD22 LEU A 63 -1.262 9.654 -0.732 1.00 32.03 H new ATOM 0 HD23 LEU A 63 -2.751 10.337 -1.429 1.00 32.03 H new ATOM 957 N SER A 64 -0.919 15.280 -3.173 1.00 44.32 N ATOM 958 CA SER A 64 -0.452 16.649 -3.014 1.00 11.44 C ATOM 959 C SER A 64 -1.368 17.454 -2.076 1.00 22.05 C ATOM 960 O SER A 64 -1.054 18.594 -1.730 1.00 30.02 O ATOM 961 CB SER A 64 -0.394 17.254 -4.422 1.00 42.50 C ATOM 962 OG SER A 64 0.143 18.561 -4.452 1.00 62.30 O ATOM 0 H SER A 64 -1.263 15.115 -4.119 1.00 44.32 H new ATOM 0 HA SER A 64 0.532 16.675 -2.546 1.00 11.44 H new ATOM 0 HB2 SER A 64 0.207 16.608 -5.062 1.00 42.50 H new ATOM 0 HB3 SER A 64 -1.399 17.273 -4.842 1.00 42.50 H new ATOM 0 HG SER A 64 0.089 18.957 -3.557 1.00 62.30 H new ATOM 968 N HIS A 65 -2.494 16.887 -1.641 1.00 10.54 N ATOM 969 CA HIS A 65 -3.338 17.440 -0.593 1.00 34.04 C ATOM 970 C HIS A 65 -3.673 16.359 0.432 1.00 41.34 C ATOM 971 O HIS A 65 -4.799 16.317 0.937 1.00 5.41 O ATOM 972 CB HIS A 65 -4.589 18.082 -1.206 1.00 30.22 C ATOM 973 CG HIS A 65 -4.327 19.360 -1.958 1.00 44.20 C ATOM 974 ND1 HIS A 65 -4.853 19.687 -3.184 1.00 1.35 N ATOM 975 CD2 HIS A 65 -3.607 20.437 -1.512 1.00 71.42 C ATOM 976 CE1 HIS A 65 -4.477 20.939 -3.474 1.00 4.23 C ATOM 977 NE2 HIS A 65 -3.717 21.439 -2.482 1.00 61.13 N ATOM 0 H HIS A 65 -2.849 16.009 -2.020 1.00 10.54 H new ATOM 0 HA HIS A 65 -2.802 18.229 -0.065 1.00 34.04 H new ATOM 0 HB2 HIS A 65 -5.056 17.366 -1.882 1.00 30.22 H new ATOM 0 HB3 HIS A 65 -5.306 18.283 -0.410 1.00 30.22 H new ATOM 0 HD2 HIS A 65 -3.057 20.501 -0.585 1.00 71.42 H new ATOM 0 HE1 HIS A 65 -4.745 21.471 -4.375 1.00 4.23 H new ATOM 0 HE2 HIS A 65 -3.301 22.370 -2.445 1.00 61.13 H new ATOM 985 N VAL A 66 -2.716 15.483 0.747 1.00 33.33 N ATOM 986 CA VAL A 66 -2.853 14.623 1.903 1.00 42.21 C ATOM 987 C VAL A 66 -1.626 14.739 2.785 1.00 22.04 C ATOM 988 O VAL A 66 -0.497 14.507 2.351 1.00 44.41 O ATOM 989 CB VAL A 66 -3.243 13.192 1.504 1.00 25.12 C ATOM 990 CG1 VAL A 66 -2.128 12.264 1.051 1.00 61.40 C ATOM 991 CG2 VAL A 66 -3.912 12.600 2.749 1.00 43.11 C ATOM 0 H VAL A 66 -1.852 15.358 0.220 1.00 33.33 H new ATOM 0 HA VAL A 66 -3.690 14.959 2.516 1.00 42.21 H new ATOM 0 HB VAL A 66 -3.874 13.267 0.618 1.00 25.12 H new ATOM 0 HG11 VAL A 66 -2.545 11.289 0.801 1.00 61.40 H new ATOM 0 HG12 VAL A 66 -1.638 12.685 0.173 1.00 61.40 H new ATOM 0 HG13 VAL A 66 -1.399 12.151 1.854 1.00 61.40 H new ATOM 0 HG21 VAL A 66 -4.220 11.575 2.544 1.00 43.11 H new ATOM 0 HG22 VAL A 66 -3.206 12.607 3.580 1.00 43.11 H new ATOM 0 HG23 VAL A 66 -4.786 13.196 3.011 1.00 43.11 H new ATOM 1001 N GLN A 67 -1.866 15.099 4.042 1.00 74.21 N ATOM 1002 CA GLN A 67 -0.878 15.036 5.089 1.00 51.23 C ATOM 1003 C GLN A 67 -0.782 13.602 5.591 1.00 14.24 C ATOM 1004 O GLN A 67 0.296 13.014 5.548 1.00 20.33 O ATOM 1005 CB GLN A 67 -1.304 15.997 6.200 1.00 52.23 C ATOM 1006 CG GLN A 67 -0.331 16.037 7.375 1.00 24.01 C ATOM 1007 CD GLN A 67 -0.616 14.991 8.437 1.00 20.34 C ATOM 1008 OE1 GLN A 67 0.187 14.092 8.647 1.00 20.24 O ATOM 1009 NE2 GLN A 67 -1.758 15.056 9.090 1.00 23.23 N ATOM 0 H GLN A 67 -2.771 15.447 4.357 1.00 74.21 H new ATOM 0 HA GLN A 67 0.107 15.331 4.729 1.00 51.23 H new ATOM 0 HB2 GLN A 67 -1.401 17.000 5.785 1.00 52.23 H new ATOM 0 HB3 GLN A 67 -2.289 15.706 6.564 1.00 52.23 H new ATOM 0 HG2 GLN A 67 0.683 15.896 7.001 1.00 24.01 H new ATOM 0 HG3 GLN A 67 -0.367 17.026 7.832 1.00 24.01 H new ATOM 0 HE21 GLN A 67 -2.412 15.815 8.899 1.00 23.23 H new ATOM 0 HE22 GLN A 67 -1.988 14.348 9.787 1.00 23.23 H new ATOM 1018 N ASN A 68 -1.894 13.080 6.118 1.00 62.11 N ATOM 1019 CA ASN A 68 -1.916 11.802 6.808 1.00 3.25 C ATOM 1020 C ASN A 68 -1.956 10.687 5.780 1.00 44.12 C ATOM 1021 O ASN A 68 -2.981 10.427 5.147 1.00 62.31 O ATOM 1022 CB ASN A 68 -3.082 11.694 7.786 1.00 43.22 C ATOM 1023 CG ASN A 68 -2.987 10.397 8.552 1.00 12.25 C ATOM 1024 OD1 ASN A 68 -3.072 9.312 7.997 1.00 41.32 O ATOM 1025 ND2 ASN A 68 -2.841 10.466 9.846 1.00 31.03 N ATOM 0 H ASN A 68 -2.804 13.540 6.074 1.00 62.11 H new ATOM 0 HA ASN A 68 -1.009 11.715 7.406 1.00 3.25 H new ATOM 0 HB2 ASN A 68 -3.069 12.537 8.477 1.00 43.22 H new ATOM 0 HB3 ASN A 68 -4.028 11.740 7.246 1.00 43.22 H new ATOM 0 HD21 ASN A 68 -2.797 9.611 10.401 1.00 31.03 H new ATOM 0 HD22 ASN A 68 -2.771 11.375 10.304 1.00 31.03 H new ATOM 1032 N LYS A 69 -0.805 10.060 5.578 1.00 40.44 N ATOM 1033 CA LYS A 69 -0.642 9.036 4.562 1.00 74.13 C ATOM 1034 C LYS A 69 -1.323 7.730 4.980 1.00 52.11 C ATOM 1035 O LYS A 69 -1.750 6.945 4.134 1.00 74.41 O ATOM 1036 CB LYS A 69 0.864 8.853 4.316 1.00 34.23 C ATOM 1037 CG LYS A 69 1.633 10.156 4.021 1.00 23.14 C ATOM 1038 CD LYS A 69 0.974 11.033 2.949 1.00 54.53 C ATOM 1039 CE LYS A 69 1.957 12.119 2.498 1.00 62.11 C ATOM 1040 NZ LYS A 69 1.530 12.902 1.316 1.00 23.04 N ATOM 0 H LYS A 69 0.041 10.249 6.116 1.00 40.44 H new ATOM 0 HA LYS A 69 -1.125 9.341 3.634 1.00 74.13 H new ATOM 0 HB2 LYS A 69 1.306 8.377 5.191 1.00 34.23 H new ATOM 0 HB3 LYS A 69 1.001 8.169 3.478 1.00 34.23 H new ATOM 0 HG2 LYS A 69 1.723 10.731 4.943 1.00 23.14 H new ATOM 0 HG3 LYS A 69 2.645 9.906 3.701 1.00 23.14 H new ATOM 0 HD2 LYS A 69 0.676 10.422 2.097 1.00 54.53 H new ATOM 0 HD3 LYS A 69 0.068 11.491 3.346 1.00 54.53 H new ATOM 0 HE2 LYS A 69 2.122 12.805 3.329 1.00 62.11 H new ATOM 0 HE3 LYS A 69 2.916 11.650 2.277 1.00 62.11 H new ATOM 0 HZ1 LYS A 69 2.363 13.329 0.863 1.00 23.04 H new ATOM 0 HZ2 LYS A 69 1.051 12.275 0.638 1.00 23.04 H new ATOM 0 HZ3 LYS A 69 0.875 13.653 1.615 1.00 23.04 H new ATOM 1054 N SER A 70 -1.419 7.471 6.276 1.00 74.40 N ATOM 1055 CA SER A 70 -1.914 6.216 6.825 1.00 64.22 C ATOM 1056 C SER A 70 -3.390 6.039 6.503 1.00 33.01 C ATOM 1057 O SER A 70 -3.788 5.046 5.894 1.00 62.04 O ATOM 1058 CB SER A 70 -1.694 6.172 8.336 1.00 2.35 C ATOM 1059 OG SER A 70 -0.401 6.624 8.667 1.00 0.21 O ATOM 0 H SER A 70 -1.148 8.144 6.993 1.00 74.40 H new ATOM 0 HA SER A 70 -1.358 5.398 6.367 1.00 64.22 H new ATOM 0 HB2 SER A 70 -2.439 6.792 8.835 1.00 2.35 H new ATOM 0 HB3 SER A 70 -1.832 5.153 8.699 1.00 2.35 H new ATOM 0 HG SER A 70 -0.370 6.858 9.618 1.00 0.21 H new ATOM 1065 N ALA A 71 -4.197 7.022 6.897 1.00 2.44 N ATOM 1066 CA ALA A 71 -5.632 7.035 6.711 1.00 64.01 C ATOM 1067 C ALA A 71 -5.970 6.986 5.225 1.00 35.22 C ATOM 1068 O ALA A 71 -6.930 6.315 4.849 1.00 34.44 O ATOM 1069 CB ALA A 71 -6.224 8.280 7.380 1.00 15.21 C ATOM 0 H ALA A 71 -3.850 7.856 7.370 1.00 2.44 H new ATOM 0 HA ALA A 71 -6.070 6.154 7.179 1.00 64.01 H new ATOM 0 HB1 ALA A 71 -7.305 8.289 7.240 1.00 15.21 H new ATOM 0 HB2 ALA A 71 -5.997 8.263 8.446 1.00 15.21 H new ATOM 0 HB3 ALA A 71 -5.792 9.174 6.931 1.00 15.21 H new ATOM 1075 N PHE A 72 -5.168 7.633 4.372 1.00 75.33 N ATOM 1076 CA PHE A 72 -5.386 7.577 2.933 1.00 73.25 C ATOM 1077 C PHE A 72 -5.210 6.148 2.417 1.00 50.51 C ATOM 1078 O PHE A 72 -6.047 5.629 1.678 1.00 13.24 O ATOM 1079 CB PHE A 72 -4.421 8.530 2.228 1.00 45.14 C ATOM 1080 CG PHE A 72 -4.764 8.721 0.765 1.00 53.44 C ATOM 1081 CD1 PHE A 72 -4.389 7.753 -0.184 1.00 32.31 C ATOM 1082 CD2 PHE A 72 -5.511 9.840 0.355 1.00 1.52 C ATOM 1083 CE1 PHE A 72 -4.775 7.890 -1.525 1.00 30.22 C ATOM 1084 CE2 PHE A 72 -5.908 9.974 -0.983 1.00 65.05 C ATOM 1085 CZ PHE A 72 -5.551 8.990 -1.923 1.00 72.45 C ATOM 0 H PHE A 72 -4.368 8.197 4.657 1.00 75.33 H new ATOM 0 HA PHE A 72 -6.408 7.888 2.717 1.00 73.25 H new ATOM 0 HB2 PHE A 72 -4.437 9.497 2.731 1.00 45.14 H new ATOM 0 HB3 PHE A 72 -3.406 8.143 2.313 1.00 45.14 H new ATOM 0 HD1 PHE A 72 -3.801 6.900 0.122 1.00 32.31 H new ATOM 0 HD2 PHE A 72 -5.780 10.600 1.074 1.00 1.52 H new ATOM 0 HE1 PHE A 72 -4.475 7.149 -2.252 1.00 30.22 H new ATOM 0 HE2 PHE A 72 -6.487 10.832 -1.292 1.00 65.05 H new ATOM 0 HZ PHE A 72 -5.874 9.081 -2.950 1.00 72.45 H new ATOM 1095 N LEU A 73 -4.115 5.495 2.811 1.00 22.44 N ATOM 1096 CA LEU A 73 -3.776 4.147 2.370 1.00 43.41 C ATOM 1097 C LEU A 73 -4.862 3.165 2.795 1.00 73.04 C ATOM 1098 O LEU A 73 -5.359 2.379 1.982 1.00 50.43 O ATOM 1099 CB LEU A 73 -2.405 3.774 2.951 1.00 33.43 C ATOM 1100 CG LEU A 73 -1.929 2.370 2.548 1.00 35.03 C ATOM 1101 CD1 LEU A 73 -1.539 2.354 1.073 1.00 51.31 C ATOM 1102 CD2 LEU A 73 -0.727 1.905 3.368 1.00 51.12 C ATOM 0 H LEU A 73 -3.432 5.896 3.454 1.00 22.44 H new ATOM 0 HA LEU A 73 -3.717 4.105 1.282 1.00 43.41 H new ATOM 0 HB2 LEU A 73 -1.668 4.507 2.622 1.00 33.43 H new ATOM 0 HB3 LEU A 73 -2.451 3.835 4.038 1.00 33.43 H new ATOM 0 HG LEU A 73 -2.760 1.691 2.738 1.00 35.03 H new ATOM 0 HD11 LEU A 73 -1.203 1.355 0.796 1.00 51.31 H new ATOM 0 HD12 LEU A 73 -2.402 2.628 0.466 1.00 51.31 H new ATOM 0 HD13 LEU A 73 -0.733 3.068 0.902 1.00 51.31 H new ATOM 0 HD21 LEU A 73 -0.430 0.908 3.044 1.00 51.12 H new ATOM 0 HD22 LEU A 73 0.103 2.596 3.221 1.00 51.12 H new ATOM 0 HD23 LEU A 73 -0.995 1.879 4.424 1.00 51.12 H new ATOM 1114 N CYS A 74 -5.232 3.245 4.071 1.00 64.34 N ATOM 1115 CA CYS A 74 -6.368 2.553 4.662 1.00 63.32 C ATOM 1116 C CYS A 74 -7.681 2.850 3.922 1.00 41.23 C ATOM 1117 O CYS A 74 -8.514 1.956 3.796 1.00 32.21 O ATOM 1118 CB CYS A 74 -6.458 2.964 6.138 1.00 74.02 C ATOM 1119 SG CYS A 74 -5.418 1.869 7.146 1.00 35.33 S ATOM 0 H CYS A 74 -4.726 3.818 4.746 1.00 64.34 H new ATOM 0 HA CYS A 74 -6.215 1.477 4.577 1.00 63.32 H new ATOM 0 HB2 CYS A 74 -6.135 3.998 6.257 1.00 74.02 H new ATOM 0 HB3 CYS A 74 -7.493 2.912 6.477 1.00 74.02 H new ATOM 0 HG CYS A 74 -5.497 2.224 8.394 1.00 35.33 H new ATOM 1125 N GLY A 75 -7.866 4.062 3.402 1.00 34.02 N ATOM 1126 CA GLY A 75 -9.033 4.447 2.623 1.00 45.41 C ATOM 1127 C GLY A 75 -9.162 3.590 1.370 1.00 34.34 C ATOM 1128 O GLY A 75 -10.231 3.032 1.108 1.00 3.54 O ATOM 0 H GLY A 75 -7.191 4.818 3.515 1.00 34.02 H new ATOM 0 HA2 GLY A 75 -9.931 4.344 3.232 1.00 45.41 H new ATOM 0 HA3 GLY A 75 -8.957 5.498 2.343 1.00 45.41 H new ATOM 1132 N VAL A 76 -8.071 3.431 0.615 1.00 62.21 N ATOM 1133 CA VAL A 76 -8.062 2.575 -0.571 1.00 34.22 C ATOM 1134 C VAL A 76 -8.371 1.131 -0.157 1.00 23.04 C ATOM 1135 O VAL A 76 -9.213 0.489 -0.783 1.00 14.21 O ATOM 1136 CB VAL A 76 -6.738 2.705 -1.359 1.00 71.21 C ATOM 1137 CG1 VAL A 76 -6.806 1.985 -2.712 1.00 42.54 C ATOM 1138 CG2 VAL A 76 -6.401 4.167 -1.667 1.00 70.25 C ATOM 0 H VAL A 76 -7.179 3.887 0.807 1.00 62.21 H new ATOM 0 HA VAL A 76 -8.842 2.902 -1.258 1.00 34.22 H new ATOM 0 HB VAL A 76 -5.978 2.257 -0.719 1.00 71.21 H new ATOM 0 HG11 VAL A 76 -5.856 2.101 -3.234 1.00 42.54 H new ATOM 0 HG12 VAL A 76 -7.005 0.925 -2.551 1.00 42.54 H new ATOM 0 HG13 VAL A 76 -7.606 2.417 -3.314 1.00 42.54 H new ATOM 0 HG21 VAL A 76 -5.464 4.215 -2.221 1.00 70.25 H new ATOM 0 HG22 VAL A 76 -7.199 4.606 -2.265 1.00 70.25 H new ATOM 0 HG23 VAL A 76 -6.300 4.721 -0.734 1.00 70.25 H new ATOM 1148 N MET A 77 -7.775 0.617 0.932 1.00 72.15 N ATOM 1149 CA MET A 77 -8.118 -0.722 1.422 1.00 12.50 C ATOM 1150 C MET A 77 -9.623 -0.835 1.634 1.00 24.41 C ATOM 1151 O MET A 77 -10.225 -1.828 1.235 1.00 71.23 O ATOM 1152 CB MET A 77 -7.445 -1.081 2.752 1.00 3.51 C ATOM 1153 CG MET A 77 -5.928 -1.080 2.727 1.00 1.22 C ATOM 1154 SD MET A 77 -5.220 -1.464 4.345 1.00 33.40 S ATOM 1155 CE MET A 77 -3.728 -0.455 4.225 1.00 31.21 C ATOM 0 H MET A 77 -7.065 1.102 1.480 1.00 72.15 H new ATOM 0 HA MET A 77 -7.760 -1.410 0.657 1.00 12.50 H new ATOM 0 HB2 MET A 77 -7.781 -0.377 3.513 1.00 3.51 H new ATOM 0 HB3 MET A 77 -7.787 -2.069 3.059 1.00 3.51 H new ATOM 0 HG2 MET A 77 -5.578 -1.809 1.996 1.00 1.22 H new ATOM 0 HG3 MET A 77 -5.572 -0.103 2.399 1.00 1.22 H new ATOM 0 HE1 MET A 77 -3.094 -0.638 5.093 1.00 31.21 H new ATOM 0 HE2 MET A 77 -3.185 -0.716 3.317 1.00 31.21 H new ATOM 0 HE3 MET A 77 -4.003 0.599 4.193 1.00 31.21 H new ATOM 1165 N LYS A 78 -10.233 0.169 2.261 1.00 64.11 N ATOM 1166 CA LYS A 78 -11.600 0.065 2.736 1.00 22.30 C ATOM 1167 C LYS A 78 -12.612 -0.026 1.601 1.00 32.41 C ATOM 1168 O LYS A 78 -13.644 -0.664 1.797 1.00 0.21 O ATOM 1169 CB LYS A 78 -11.896 1.219 3.700 1.00 14.30 C ATOM 1170 CG LYS A 78 -13.155 0.918 4.532 1.00 23.20 C ATOM 1171 CD LYS A 78 -12.987 1.310 6.003 1.00 41.32 C ATOM 1172 CE LYS A 78 -13.970 0.501 6.848 1.00 62.31 C ATOM 1173 NZ LYS A 78 -13.749 0.699 8.290 1.00 43.52 N ATOM 0 H LYS A 78 -9.792 1.069 2.450 1.00 64.11 H new ATOM 0 HA LYS A 78 -11.704 -0.874 3.280 1.00 22.30 H new ATOM 0 HB2 LYS A 78 -11.044 1.375 4.362 1.00 14.30 H new ATOM 0 HB3 LYS A 78 -12.036 2.143 3.138 1.00 14.30 H new ATOM 0 HG2 LYS A 78 -14.004 1.456 4.110 1.00 23.20 H new ATOM 0 HG3 LYS A 78 -13.386 -0.145 4.466 1.00 23.20 H new ATOM 0 HD2 LYS A 78 -11.965 1.120 6.329 1.00 41.32 H new ATOM 0 HD3 LYS A 78 -13.169 2.377 6.132 1.00 41.32 H new ATOM 0 HE2 LYS A 78 -14.990 0.790 6.594 1.00 62.31 H new ATOM 0 HE3 LYS A 78 -13.870 -0.557 6.608 1.00 62.31 H new ATOM 0 HZ1 LYS A 78 -14.436 0.133 8.827 1.00 43.52 H new ATOM 0 HZ2 LYS A 78 -12.784 0.399 8.538 1.00 43.52 H new ATOM 0 HZ3 LYS A 78 -13.870 1.705 8.525 1.00 43.52 H new ATOM 1187 N THR A 79 -12.360 0.552 0.425 1.00 14.31 N ATOM 1188 CA THR A 79 -13.209 0.272 -0.730 1.00 14.22 C ATOM 1189 C THR A 79 -12.909 -1.151 -1.222 1.00 25.33 C ATOM 1190 O THR A 79 -13.829 -1.959 -1.319 1.00 34.13 O ATOM 1191 CB THR A 79 -13.132 1.410 -1.775 1.00 54.53 C ATOM 1192 OG1 THR A 79 -14.098 1.211 -2.790 1.00 53.53 O ATOM 1193 CG2 THR A 79 -11.757 1.668 -2.393 1.00 4.33 C ATOM 0 H THR A 79 -11.593 1.202 0.250 1.00 14.31 H new ATOM 0 HA THR A 79 -14.267 0.271 -0.467 1.00 14.22 H new ATOM 0 HB THR A 79 -13.345 2.314 -1.205 1.00 54.53 H new ATOM 0 HG1 THR A 79 -14.040 1.939 -3.444 1.00 53.53 H new ATOM 0 HG21 THR A 79 -11.828 2.487 -3.109 1.00 4.33 H new ATOM 0 HG22 THR A 79 -11.049 1.933 -1.608 1.00 4.33 H new ATOM 0 HG23 THR A 79 -11.413 0.768 -2.903 1.00 4.33 H new ATOM 1201 N TYR A 80 -11.639 -1.529 -1.420 1.00 2.20 N ATOM 1202 CA TYR A 80 -11.297 -2.837 -1.987 1.00 61.22 C ATOM 1203 C TYR A 80 -11.775 -4.027 -1.135 1.00 72.22 C ATOM 1204 O TYR A 80 -12.102 -5.082 -1.681 1.00 44.43 O ATOM 1205 CB TYR A 80 -9.783 -2.941 -2.211 1.00 34.30 C ATOM 1206 CG TYR A 80 -9.324 -2.421 -3.554 1.00 62.41 C ATOM 1207 CD1 TYR A 80 -9.479 -3.212 -4.707 1.00 3.12 C ATOM 1208 CD2 TYR A 80 -8.705 -1.169 -3.654 1.00 11.52 C ATOM 1209 CE1 TYR A 80 -9.000 -2.761 -5.950 1.00 33.14 C ATOM 1210 CE2 TYR A 80 -8.222 -0.711 -4.887 1.00 50.41 C ATOM 1211 CZ TYR A 80 -8.367 -1.503 -6.049 1.00 54.25 C ATOM 1212 OH TYR A 80 -7.948 -1.015 -7.252 1.00 65.41 O ATOM 0 H TYR A 80 -10.833 -0.946 -1.195 1.00 2.20 H new ATOM 0 HA TYR A 80 -11.827 -2.899 -2.937 1.00 61.22 H new ATOM 0 HB2 TYR A 80 -9.271 -2.388 -1.424 1.00 34.30 H new ATOM 0 HB3 TYR A 80 -9.482 -3.984 -2.115 1.00 34.30 H new ATOM 0 HD1 TYR A 80 -9.969 -4.172 -4.637 1.00 3.12 H new ATOM 0 HD2 TYR A 80 -8.599 -0.552 -2.774 1.00 11.52 H new ATOM 0 HE1 TYR A 80 -9.116 -3.377 -6.829 1.00 33.14 H new ATOM 0 HE2 TYR A 80 -7.737 0.252 -4.950 1.00 50.41 H new ATOM 0 HH TYR A 80 -7.539 -1.737 -7.774 1.00 65.41 H new ATOM 1222 N ARG A 81 -11.797 -3.899 0.197 1.00 64.43 N ATOM 1223 CA ARG A 81 -12.262 -4.941 1.122 1.00 21.04 C ATOM 1224 C ARG A 81 -13.788 -4.957 1.263 1.00 4.54 C ATOM 1225 O ARG A 81 -14.309 -5.867 1.912 1.00 34.03 O ATOM 1226 CB ARG A 81 -11.555 -4.793 2.494 1.00 64.43 C ATOM 1227 CG ARG A 81 -10.609 -5.972 2.787 1.00 40.44 C ATOM 1228 CD ARG A 81 -11.324 -7.139 3.466 1.00 20.33 C ATOM 1229 NE ARG A 81 -11.128 -7.143 4.927 1.00 24.31 N ATOM 1230 CZ ARG A 81 -11.719 -7.999 5.768 1.00 51.22 C ATOM 1231 NH1 ARG A 81 -12.755 -8.738 5.382 1.00 3.14 N ATOM 1232 NH2 ARG A 81 -11.273 -8.141 7.006 1.00 61.44 N ATOM 0 H ARG A 81 -11.486 -3.052 0.672 1.00 64.43 H new ATOM 0 HA ARG A 81 -11.990 -5.908 0.699 1.00 21.04 H new ATOM 0 HB2 ARG A 81 -10.989 -3.862 2.511 1.00 64.43 H new ATOM 0 HB3 ARG A 81 -12.305 -4.725 3.282 1.00 64.43 H new ATOM 0 HG2 ARG A 81 -10.163 -6.316 1.854 1.00 40.44 H new ATOM 0 HG3 ARG A 81 -9.793 -5.630 3.423 1.00 40.44 H new ATOM 0 HD2 ARG A 81 -12.390 -7.087 3.245 1.00 20.33 H new ATOM 0 HD3 ARG A 81 -10.958 -8.078 3.050 1.00 20.33 H new ATOM 0 HE ARG A 81 -10.499 -6.445 5.324 1.00 24.31 H new ATOM 0 HH11 ARG A 81 -13.112 -8.658 4.430 1.00 3.14 H new ATOM 0 HH12 ARG A 81 -13.192 -9.385 6.038 1.00 3.14 H new ATOM 0 HH21 ARG A 81 -10.473 -7.595 7.325 1.00 61.44 H new ATOM 0 HH22 ARG A 81 -11.730 -8.796 7.641 1.00 61.44 H new ATOM 1246 N GLN A 82 -14.492 -3.981 0.684 1.00 64.14 N ATOM 1247 CA GLN A 82 -15.939 -3.878 0.676 1.00 42.22 C ATOM 1248 C GLN A 82 -16.410 -3.458 -0.723 1.00 44.24 C ATOM 1249 O GLN A 82 -16.819 -2.313 -0.962 1.00 72.35 O ATOM 1250 CB GLN A 82 -16.399 -2.911 1.786 1.00 0.53 C ATOM 1251 CG GLN A 82 -16.912 -3.586 3.069 1.00 60.32 C ATOM 1252 CD GLN A 82 -18.175 -4.439 2.907 1.00 22.02 C ATOM 1253 OE1 GLN A 82 -18.495 -4.936 1.833 1.00 55.35 O ATOM 1254 NE2 GLN A 82 -18.888 -4.692 3.990 1.00 63.43 N ATOM 0 H GLN A 82 -14.042 -3.211 0.189 1.00 64.14 H new ATOM 0 HA GLN A 82 -16.396 -4.844 0.893 1.00 42.22 H new ATOM 0 HB2 GLN A 82 -15.566 -2.258 2.046 1.00 0.53 H new ATOM 0 HB3 GLN A 82 -17.190 -2.275 1.388 1.00 0.53 H new ATOM 0 HG2 GLN A 82 -16.118 -4.216 3.469 1.00 60.32 H new ATOM 0 HG3 GLN A 82 -17.110 -2.813 3.811 1.00 60.32 H new ATOM 0 HE21 GLN A 82 -18.622 -4.279 4.884 1.00 63.43 H new ATOM 0 HE22 GLN A 82 -19.704 -5.301 3.932 1.00 63.43 H new