USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 803 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 87 SER OG : rot -39:sc= -0.0516 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.672 K(o=-0.72,f=0.31) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.427 K(o=1.4,f=-4.4!) USER MOD Set 2.2: A 86 HIS : no HD1:sc= 0.743 K(o=1.4,f=-2.3) USER MOD Set 2.3: A 91 THR OG1 : rot -81:sc= 1.04 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.89 K(o=-0.55,f=-4.3!) USER MOD Set 3.2: A 78 SER OG : rot -129:sc= 0.338 USER MOD Set 4.1: A 8 HIS : no HD1:sc=-0.00273 K(o=-0.026,f=-0.61) USER MOD Set 4.2: A 10 ASN : amide:sc= -0.0236 K(o=-0.026,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.0614 X(o=-0.061,f=-0.03) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.83) USER MOD Single : A 15 SER OG : rot -20:sc= -0.874 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0172 X(o=0.017,f=-0.14) USER MOD Single : A 33 HIS : no HD1:sc= 0.0575 K(o=0.24,f=-2.4) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 44 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.26) USER MOD Single : A 56 ASN : amide:sc= -1.99! K(o=-2!,f=-0.041) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0.311 (180deg=0.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= 0.993 (180deg=-0.937) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 33:sc= 0.152 USER MOD Single : A 95 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.15) USER MOD Single : A 97 LYS NZ :NH3+ -131:sc= -0.0399 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.607 5.087 38.837 1.00 13.31 N ATOM 2 CA MET A 1 -14.086 3.891 38.153 1.00 13.30 C ATOM 3 C MET A 1 -12.996 4.338 37.165 1.00 43.54 C ATOM 4 O MET A 1 -11.859 3.852 37.214 1.00 42.41 O ATOM 5 CB MET A 1 -15.247 3.135 37.438 1.00 64.01 C ATOM 6 CG MET A 1 -14.946 1.680 37.023 1.00 14.41 C ATOM 7 SD MET A 1 -13.675 1.529 35.745 1.00 71.54 S ATOM 8 CE MET A 1 -13.584 -0.256 35.549 1.00 54.34 C ATOM 0 H1 MET A 1 -15.347 4.806 39.511 1.00 13.31 H new ATOM 0 H2 MET A 1 -13.834 5.559 39.348 1.00 13.31 H new ATOM 0 H3 MET A 1 -15.008 5.741 38.135 1.00 13.31 H new ATOM 0 HA MET A 1 -13.648 3.196 38.869 1.00 13.30 H new ATOM 0 HB2 MET A 1 -16.114 3.132 38.098 1.00 64.01 H new ATOM 0 HB3 MET A 1 -15.526 3.697 36.547 1.00 64.01 H new ATOM 0 HG2 MET A 1 -14.630 1.120 37.903 1.00 14.41 H new ATOM 0 HG3 MET A 1 -15.865 1.218 36.663 1.00 14.41 H new ATOM 0 HE1 MET A 1 -12.840 -0.501 34.791 1.00 54.34 H new ATOM 0 HE2 MET A 1 -13.300 -0.712 36.497 1.00 54.34 H new ATOM 0 HE3 MET A 1 -14.557 -0.638 35.239 1.00 54.34 H new ATOM 20 N GLY A 2 -13.364 5.291 36.280 1.00 72.13 N ATOM 21 CA GLY A 2 -12.438 5.876 35.305 1.00 43.31 C ATOM 22 C GLY A 2 -12.250 5.013 34.061 1.00 53.01 C ATOM 23 O GLY A 2 -12.848 3.932 33.945 1.00 22.40 O ATOM 0 H GLY A 2 -14.309 5.670 36.227 1.00 72.13 H new ATOM 0 HA2 GLY A 2 -12.807 6.857 35.006 1.00 43.31 H new ATOM 0 HA3 GLY A 2 -11.470 6.031 35.781 1.00 43.31 H new ATOM 27 N HIS A 3 -11.399 5.506 33.139 1.00 72.01 N ATOM 28 CA HIS A 3 -11.013 4.799 31.905 1.00 72.11 C ATOM 29 C HIS A 3 -9.842 5.554 31.247 1.00 41.25 C ATOM 30 O HIS A 3 -10.005 6.711 30.830 1.00 32.24 O ATOM 31 CB HIS A 3 -12.200 4.687 30.902 1.00 11.35 C ATOM 32 CG HIS A 3 -11.856 3.928 29.637 1.00 53.53 C ATOM 33 ND1 HIS A 3 -11.787 2.554 29.590 1.00 30.33 N ATOM 34 CD2 HIS A 3 -11.519 4.355 28.391 1.00 13.23 C ATOM 35 CE1 HIS A 3 -11.419 2.174 28.382 1.00 34.13 C ATOM 36 NE2 HIS A 3 -11.249 3.245 27.636 1.00 5.44 N ATOM 0 H HIS A 3 -10.955 6.420 33.234 1.00 72.01 H new ATOM 0 HA HIS A 3 -10.715 3.784 32.169 1.00 72.11 H new ATOM 0 HB2 HIS A 3 -13.037 4.193 31.396 1.00 11.35 H new ATOM 0 HB3 HIS A 3 -12.535 5.689 30.635 1.00 11.35 H new ATOM 0 HD2 HIS A 3 -11.473 5.381 28.058 1.00 13.23 H new ATOM 0 HE1 HIS A 3 -11.280 1.153 28.058 1.00 34.13 H new ATOM 0 HE2 HIS A 3 -10.963 3.248 26.657 1.00 5.44 H new ATOM 45 N HIS A 4 -8.672 4.897 31.161 1.00 21.24 N ATOM 46 CA HIS A 4 -7.501 5.433 30.453 1.00 65.23 C ATOM 47 C HIS A 4 -7.802 5.475 28.940 1.00 54.25 C ATOM 48 O HIS A 4 -8.141 4.447 28.336 1.00 53.34 O ATOM 49 CB HIS A 4 -6.244 4.569 30.759 1.00 11.33 C ATOM 50 CG HIS A 4 -4.974 5.033 30.081 1.00 74.31 C ATOM 51 ND1 HIS A 4 -4.171 6.033 30.579 1.00 13.04 N ATOM 52 CD2 HIS A 4 -4.373 4.616 28.942 1.00 14.41 C ATOM 53 CE1 HIS A 4 -3.139 6.207 29.779 1.00 24.44 C ATOM 54 NE2 HIS A 4 -3.237 5.358 28.777 1.00 54.23 N ATOM 0 H HIS A 4 -8.514 3.981 31.581 1.00 21.24 H new ATOM 0 HA HIS A 4 -7.292 6.446 30.796 1.00 65.23 H new ATOM 0 HB2 HIS A 4 -6.081 4.559 31.837 1.00 11.33 H new ATOM 0 HB3 HIS A 4 -6.445 3.541 30.458 1.00 11.33 H new ATOM 0 HD1 HIS A 4 -4.347 6.558 31.435 1.00 13.04 H new ATOM 0 HD2 HIS A 4 -4.727 3.837 28.283 1.00 14.41 H new ATOM 0 HE1 HIS A 4 -2.345 6.926 29.921 1.00 24.44 H new ATOM 63 N HIS A 5 -7.698 6.685 28.362 1.00 33.23 N ATOM 64 CA HIS A 5 -7.942 6.949 26.925 1.00 52.12 C ATOM 65 C HIS A 5 -6.808 6.360 26.067 1.00 1.34 C ATOM 66 O HIS A 5 -5.777 5.955 26.621 1.00 54.32 O ATOM 67 CB HIS A 5 -8.095 8.478 26.691 1.00 24.05 C ATOM 68 CG HIS A 5 -9.304 9.078 27.367 1.00 15.23 C ATOM 69 ND1 HIS A 5 -10.521 9.222 26.739 1.00 12.32 N ATOM 70 CD2 HIS A 5 -9.478 9.559 28.622 1.00 52.20 C ATOM 71 CE1 HIS A 5 -11.382 9.765 27.574 1.00 23.03 C ATOM 72 NE2 HIS A 5 -10.777 9.976 28.723 1.00 41.34 N ATOM 0 H HIS A 5 -7.439 7.522 28.884 1.00 33.23 H new ATOM 0 HA HIS A 5 -8.869 6.461 26.623 1.00 52.12 H new ATOM 0 HB2 HIS A 5 -7.199 8.983 27.053 1.00 24.05 H new ATOM 0 HB3 HIS A 5 -8.157 8.668 25.620 1.00 24.05 H new ATOM 0 HD2 HIS A 5 -8.729 9.605 29.399 1.00 52.20 H new ATOM 0 HE1 HIS A 5 -12.413 9.998 27.353 1.00 23.03 H new ATOM 0 HE2 HIS A 5 -11.206 10.384 29.553 1.00 41.34 H new ATOM 81 N HIS A 6 -7.002 6.324 24.722 1.00 32.24 N ATOM 82 CA HIS A 6 -6.074 5.614 23.807 1.00 4.12 C ATOM 83 C HIS A 6 -4.631 6.141 23.950 1.00 51.32 C ATOM 84 O HIS A 6 -4.396 7.355 23.881 1.00 45.24 O ATOM 85 CB HIS A 6 -6.544 5.655 22.316 1.00 32.31 C ATOM 86 CG HIS A 6 -6.482 6.989 21.595 1.00 73.13 C ATOM 87 ND1 HIS A 6 -7.581 7.798 21.416 1.00 15.34 N ATOM 88 CD2 HIS A 6 -5.458 7.621 20.958 1.00 10.14 C ATOM 89 CE1 HIS A 6 -7.237 8.858 20.715 1.00 63.34 C ATOM 90 NE2 HIS A 6 -5.956 8.776 20.422 1.00 51.32 N ATOM 0 H HIS A 6 -7.787 6.775 24.252 1.00 32.24 H new ATOM 0 HA HIS A 6 -6.086 4.567 24.109 1.00 4.12 H new ATOM 0 HB2 HIS A 6 -5.941 4.941 21.754 1.00 32.31 H new ATOM 0 HB3 HIS A 6 -7.574 5.301 22.279 1.00 32.31 H new ATOM 0 HD2 HIS A 6 -4.438 7.273 20.889 1.00 10.14 H new ATOM 0 HE1 HIS A 6 -7.897 9.663 20.427 1.00 63.34 H new ATOM 0 HE2 HIS A 6 -5.424 9.460 19.885 1.00 51.32 H new ATOM 99 N HIS A 7 -3.687 5.221 24.208 1.00 12.53 N ATOM 100 CA HIS A 7 -2.266 5.569 24.355 1.00 60.23 C ATOM 101 C HIS A 7 -1.624 5.774 22.973 1.00 32.53 C ATOM 102 O HIS A 7 -2.040 5.156 21.985 1.00 62.35 O ATOM 103 CB HIS A 7 -1.503 4.491 25.174 1.00 3.13 C ATOM 104 CG HIS A 7 -1.386 3.132 24.518 1.00 0.33 C ATOM 105 ND1 HIS A 7 -2.293 2.116 24.729 1.00 63.00 N ATOM 106 CD2 HIS A 7 -0.447 2.616 23.682 1.00 1.02 C ATOM 107 CE1 HIS A 7 -1.915 1.045 24.068 1.00 60.54 C ATOM 108 NE2 HIS A 7 -0.802 1.322 23.421 1.00 51.12 N ATOM 0 H HIS A 7 -3.885 4.227 24.319 1.00 12.53 H new ATOM 0 HA HIS A 7 -2.198 6.505 24.909 1.00 60.23 H new ATOM 0 HB2 HIS A 7 -0.499 4.862 25.382 1.00 3.13 H new ATOM 0 HB3 HIS A 7 -2.003 4.369 26.135 1.00 3.13 H new ATOM 0 HD2 HIS A 7 0.419 3.133 23.295 1.00 1.02 H new ATOM 0 HE1 HIS A 7 -2.431 0.096 24.057 1.00 60.54 H new ATOM 0 HE2 HIS A 7 -0.288 0.676 22.822 1.00 51.12 H new ATOM 117 N HIS A 8 -0.617 6.646 22.926 1.00 53.14 N ATOM 118 CA HIS A 8 0.167 6.925 21.720 1.00 43.04 C ATOM 119 C HIS A 8 1.637 6.591 22.000 1.00 30.20 C ATOM 120 O HIS A 8 2.272 7.221 22.850 1.00 13.10 O ATOM 121 CB HIS A 8 -0.003 8.412 21.298 1.00 23.21 C ATOM 122 CG HIS A 8 0.981 8.871 20.249 1.00 43.42 C ATOM 123 ND1 HIS A 8 1.013 8.363 18.973 1.00 53.44 N ATOM 124 CD2 HIS A 8 2.014 9.748 20.322 1.00 74.33 C ATOM 125 CE1 HIS A 8 2.016 8.901 18.318 1.00 32.14 C ATOM 126 NE2 HIS A 8 2.643 9.742 19.111 1.00 53.03 N ATOM 0 H HIS A 8 -0.317 7.188 23.737 1.00 53.14 H new ATOM 0 HA HIS A 8 -0.187 6.308 20.894 1.00 43.04 H new ATOM 0 HB2 HIS A 8 -1.015 8.558 20.920 1.00 23.21 H new ATOM 0 HB3 HIS A 8 0.102 9.043 22.180 1.00 23.21 H new ATOM 0 HD2 HIS A 8 2.288 10.342 21.181 1.00 74.33 H new ATOM 0 HE1 HIS A 8 2.283 8.687 17.294 1.00 32.14 H new ATOM 0 HE2 HIS A 8 3.462 10.297 18.863 1.00 53.03 H new ATOM 135 N GLU A 9 2.159 5.584 21.295 1.00 33.25 N ATOM 136 CA GLU A 9 3.591 5.233 21.325 1.00 3.34 C ATOM 137 C GLU A 9 4.233 5.688 20.002 1.00 31.53 C ATOM 138 O GLU A 9 3.543 5.844 18.990 1.00 30.33 O ATOM 139 CB GLU A 9 3.813 3.705 21.577 1.00 70.14 C ATOM 140 CG GLU A 9 3.401 2.752 20.426 1.00 44.33 C ATOM 141 CD GLU A 9 1.884 2.704 20.161 1.00 71.34 C ATOM 142 OE1 GLU A 9 1.173 1.945 20.849 1.00 52.43 O ATOM 143 OE2 GLU A 9 1.392 3.433 19.273 1.00 22.31 O ATOM 0 H GLU A 9 1.604 4.985 20.684 1.00 33.25 H new ATOM 0 HA GLU A 9 4.069 5.747 22.159 1.00 3.34 H new ATOM 0 HB2 GLU A 9 4.869 3.544 21.793 1.00 70.14 H new ATOM 0 HB3 GLU A 9 3.258 3.422 22.471 1.00 70.14 H new ATOM 0 HG2 GLU A 9 3.909 3.062 19.513 1.00 44.33 H new ATOM 0 HG3 GLU A 9 3.750 1.746 20.659 1.00 44.33 H new ATOM 150 N ASN A 10 5.554 5.915 20.027 1.00 25.21 N ATOM 151 CA ASN A 10 6.306 6.455 18.879 1.00 61.14 C ATOM 152 C ASN A 10 7.211 5.372 18.278 1.00 64.15 C ATOM 153 O ASN A 10 8.110 4.856 18.957 1.00 51.30 O ATOM 154 CB ASN A 10 7.153 7.690 19.309 1.00 62.23 C ATOM 155 CG ASN A 10 6.312 8.909 19.715 1.00 33.21 C ATOM 156 OD1 ASN A 10 5.194 8.787 20.217 1.00 75.04 O ATOM 157 ND2 ASN A 10 6.849 10.098 19.507 1.00 12.44 N ATOM 0 H ASN A 10 6.135 5.730 20.845 1.00 25.21 H new ATOM 0 HA ASN A 10 5.592 6.775 18.120 1.00 61.14 H new ATOM 0 HB2 ASN A 10 7.792 7.407 20.145 1.00 62.23 H new ATOM 0 HB3 ASN A 10 7.810 7.972 18.487 1.00 62.23 H new ATOM 0 HD21 ASN A 10 6.336 10.941 19.764 1.00 12.44 H new ATOM 0 HD22 ASN A 10 7.777 10.173 19.090 1.00 12.44 H new ATOM 164 N LEU A 11 6.929 4.997 17.016 1.00 11.41 N ATOM 165 CA LEU A 11 7.847 4.200 16.194 1.00 55.40 C ATOM 166 C LEU A 11 8.943 5.144 15.681 1.00 35.45 C ATOM 167 O LEU A 11 8.731 5.887 14.711 1.00 73.14 O ATOM 168 CB LEU A 11 7.093 3.515 15.018 1.00 25.34 C ATOM 169 CG LEU A 11 5.926 2.561 15.425 1.00 43.44 C ATOM 170 CD1 LEU A 11 5.215 2.003 14.181 1.00 63.05 C ATOM 171 CD2 LEU A 11 6.409 1.422 16.363 1.00 22.24 C ATOM 0 H LEU A 11 6.059 5.240 16.542 1.00 11.41 H new ATOM 0 HA LEU A 11 8.289 3.398 16.786 1.00 55.40 H new ATOM 0 HB2 LEU A 11 6.692 4.292 14.366 1.00 25.34 H new ATOM 0 HB3 LEU A 11 7.814 2.947 14.431 1.00 25.34 H new ATOM 0 HG LEU A 11 5.203 3.150 15.990 1.00 43.44 H new ATOM 0 HD11 LEU A 11 4.406 1.341 14.490 1.00 63.05 H new ATOM 0 HD12 LEU A 11 4.806 2.827 13.595 1.00 63.05 H new ATOM 0 HD13 LEU A 11 5.928 1.445 13.574 1.00 63.05 H new ATOM 0 HD21 LEU A 11 5.566 0.782 16.622 1.00 22.24 H new ATOM 0 HD22 LEU A 11 7.171 0.831 15.855 1.00 22.24 H new ATOM 0 HD23 LEU A 11 6.830 1.853 17.272 1.00 22.24 H new ATOM 183 N TYR A 12 10.081 5.142 16.394 1.00 62.24 N ATOM 184 CA TYR A 12 11.197 6.090 16.186 1.00 32.15 C ATOM 185 C TYR A 12 11.764 6.038 14.753 1.00 33.03 C ATOM 186 O TYR A 12 12.215 7.059 14.216 1.00 31.41 O ATOM 187 CB TYR A 12 12.331 5.800 17.197 1.00 54.55 C ATOM 188 CG TYR A 12 11.936 5.951 18.674 1.00 23.44 C ATOM 189 CD1 TYR A 12 11.974 7.196 19.309 1.00 21.20 C ATOM 190 CD2 TYR A 12 11.545 4.845 19.441 1.00 23.23 C ATOM 191 CE1 TYR A 12 11.640 7.330 20.644 1.00 54.33 C ATOM 192 CE2 TYR A 12 11.207 4.980 20.773 1.00 43.45 C ATOM 193 CZ TYR A 12 11.257 6.222 21.368 1.00 24.52 C ATOM 194 OH TYR A 12 10.933 6.358 22.699 1.00 63.12 O ATOM 0 H TYR A 12 10.258 4.473 17.143 1.00 62.24 H new ATOM 0 HA TYR A 12 10.795 7.091 16.343 1.00 32.15 H new ATOM 0 HB2 TYR A 12 12.692 4.784 17.035 1.00 54.55 H new ATOM 0 HB3 TYR A 12 13.164 6.471 16.988 1.00 54.55 H new ATOM 0 HD1 TYR A 12 12.270 8.069 18.746 1.00 21.20 H new ATOM 0 HD2 TYR A 12 11.507 3.868 18.981 1.00 23.23 H new ATOM 0 HE1 TYR A 12 11.679 8.300 21.118 1.00 54.33 H new ATOM 0 HE2 TYR A 12 10.905 4.116 21.346 1.00 43.45 H new ATOM 0 HH TYR A 12 10.683 5.484 23.066 1.00 63.12 H new ATOM 204 N PHE A 13 11.724 4.842 14.143 1.00 42.04 N ATOM 205 CA PHE A 13 12.346 4.582 12.835 1.00 15.14 C ATOM 206 C PHE A 13 11.344 3.961 11.844 1.00 30.12 C ATOM 207 O PHE A 13 10.231 3.560 12.208 1.00 1.20 O ATOM 208 CB PHE A 13 13.600 3.671 13.013 1.00 74.53 C ATOM 209 CG PHE A 13 13.312 2.257 13.533 1.00 0.20 C ATOM 210 CD1 PHE A 13 13.059 2.025 14.888 1.00 33.45 C ATOM 211 CD2 PHE A 13 13.294 1.159 12.665 1.00 43.43 C ATOM 212 CE1 PHE A 13 12.797 0.752 15.357 1.00 1.02 C ATOM 213 CE2 PHE A 13 13.029 -0.111 13.136 1.00 0.05 C ATOM 214 CZ PHE A 13 12.782 -0.316 14.481 1.00 43.41 C ATOM 0 H PHE A 13 11.259 4.027 14.544 1.00 42.04 H new ATOM 0 HA PHE A 13 12.663 5.535 12.412 1.00 15.14 H new ATOM 0 HB2 PHE A 13 14.110 3.591 12.053 1.00 74.53 H new ATOM 0 HB3 PHE A 13 14.290 4.160 13.701 1.00 74.53 H new ATOM 0 HD1 PHE A 13 13.068 2.854 15.580 1.00 33.45 H new ATOM 0 HD2 PHE A 13 13.490 1.307 11.613 1.00 43.43 H new ATOM 0 HE1 PHE A 13 12.604 0.592 16.408 1.00 1.02 H new ATOM 0 HE2 PHE A 13 13.015 -0.947 12.452 1.00 0.05 H new ATOM 0 HZ PHE A 13 12.577 -1.311 14.847 1.00 43.41 H new ATOM 224 N GLN A 14 11.775 3.918 10.581 1.00 73.31 N ATOM 225 CA GLN A 14 11.099 3.228 9.474 1.00 53.21 C ATOM 226 C GLN A 14 12.133 2.258 8.837 1.00 32.12 C ATOM 227 O GLN A 14 13.310 2.273 9.219 1.00 42.43 O ATOM 228 CB GLN A 14 10.526 4.291 8.478 1.00 64.14 C ATOM 229 CG GLN A 14 9.636 3.742 7.327 1.00 61.45 C ATOM 230 CD GLN A 14 8.868 4.838 6.572 1.00 22.45 C ATOM 231 OE1 GLN A 14 8.457 5.844 7.154 1.00 44.32 O ATOM 232 NE2 GLN A 14 8.697 4.671 5.269 1.00 63.31 N ATOM 0 H GLN A 14 12.636 4.379 10.288 1.00 73.31 H new ATOM 0 HA GLN A 14 10.244 2.637 9.803 1.00 53.21 H new ATOM 0 HB2 GLN A 14 9.943 5.015 9.047 1.00 64.14 H new ATOM 0 HB3 GLN A 14 11.362 4.833 8.036 1.00 64.14 H new ATOM 0 HG2 GLN A 14 10.263 3.197 6.622 1.00 61.45 H new ATOM 0 HG3 GLN A 14 8.923 3.027 7.738 1.00 61.45 H new ATOM 0 HE21 GLN A 14 9.047 3.829 4.812 1.00 63.31 H new ATOM 0 HE22 GLN A 14 8.215 5.385 4.722 1.00 63.31 H new ATOM 241 N SER A 15 11.688 1.407 7.903 1.00 3.12 N ATOM 242 CA SER A 15 12.500 0.315 7.313 1.00 75.04 C ATOM 243 C SER A 15 13.473 0.814 6.208 1.00 64.21 C ATOM 244 O SER A 15 13.529 0.238 5.107 1.00 75.54 O ATOM 245 CB SER A 15 11.514 -0.727 6.745 1.00 62.01 C ATOM 246 OG SER A 15 10.609 -1.169 7.739 1.00 71.52 O ATOM 0 H SER A 15 10.742 1.452 7.525 1.00 3.12 H new ATOM 0 HA SER A 15 13.136 -0.118 8.085 1.00 75.04 H new ATOM 0 HB2 SER A 15 10.960 -0.292 5.913 1.00 62.01 H new ATOM 0 HB3 SER A 15 12.068 -1.578 6.349 1.00 62.01 H new ATOM 0 HG SER A 15 10.980 -0.981 8.626 1.00 71.52 H new ATOM 252 N HIS A 16 14.284 1.846 6.533 1.00 53.52 N ATOM 253 CA HIS A 16 15.142 2.550 5.555 1.00 3.45 C ATOM 254 C HIS A 16 16.353 1.681 5.130 1.00 51.13 C ATOM 255 O HIS A 16 17.446 1.781 5.696 1.00 71.23 O ATOM 256 CB HIS A 16 15.598 3.918 6.124 1.00 24.21 C ATOM 257 CG HIS A 16 16.421 4.744 5.161 1.00 5.51 C ATOM 258 ND1 HIS A 16 17.745 5.063 5.376 1.00 41.24 N ATOM 259 CD2 HIS A 16 16.091 5.317 3.979 1.00 61.33 C ATOM 260 CE1 HIS A 16 18.184 5.802 4.377 1.00 11.22 C ATOM 261 NE2 HIS A 16 17.201 5.968 3.518 1.00 52.42 N ATOM 0 H HIS A 16 14.362 2.214 7.481 1.00 53.52 H new ATOM 0 HA HIS A 16 14.552 2.734 4.657 1.00 3.45 H new ATOM 0 HB2 HIS A 16 14.717 4.490 6.415 1.00 24.21 H new ATOM 0 HB3 HIS A 16 16.181 3.747 7.029 1.00 24.21 H new ATOM 0 HD2 HIS A 16 15.129 5.269 3.491 1.00 61.33 H new ATOM 0 HE1 HIS A 16 19.182 6.204 4.280 1.00 11.22 H new ATOM 0 HE2 HIS A 16 17.258 6.497 2.648 1.00 52.42 H new ATOM 270 N MET A 17 16.093 0.814 4.149 1.00 41.30 N ATOM 271 CA MET A 17 17.071 -0.093 3.530 1.00 1.41 C ATOM 272 C MET A 17 16.394 -0.691 2.290 1.00 51.31 C ATOM 273 O MET A 17 16.922 -0.629 1.177 1.00 1.25 O ATOM 274 CB MET A 17 17.540 -1.208 4.517 1.00 73.22 C ATOM 275 CG MET A 17 18.455 -2.283 3.897 1.00 63.21 C ATOM 276 SD MET A 17 19.910 -1.580 3.088 1.00 3.22 S ATOM 277 CE MET A 17 20.728 -3.056 2.472 1.00 41.13 C ATOM 0 H MET A 17 15.161 0.718 3.746 1.00 41.30 H new ATOM 0 HA MET A 17 17.974 0.453 3.256 1.00 1.41 H new ATOM 0 HB2 MET A 17 18.067 -0.739 5.348 1.00 73.22 H new ATOM 0 HB3 MET A 17 16.660 -1.698 4.934 1.00 73.22 H new ATOM 0 HG2 MET A 17 18.776 -2.974 4.676 1.00 63.21 H new ATOM 0 HG3 MET A 17 17.886 -2.864 3.171 1.00 63.21 H new ATOM 0 HE1 MET A 17 21.642 -2.774 1.950 1.00 41.13 H new ATOM 0 HE2 MET A 17 20.975 -3.711 3.308 1.00 41.13 H new ATOM 0 HE3 MET A 17 20.064 -3.580 1.784 1.00 41.13 H new ATOM 287 N THR A 18 15.201 -1.258 2.522 1.00 22.20 N ATOM 288 CA THR A 18 14.254 -1.660 1.471 1.00 34.20 C ATOM 289 C THR A 18 13.406 -0.442 1.056 1.00 33.24 C ATOM 290 O THR A 18 13.042 -0.292 -0.121 1.00 3.00 O ATOM 291 CB THR A 18 13.324 -2.800 2.000 1.00 45.22 C ATOM 292 OG1 THR A 18 14.124 -3.949 2.335 1.00 21.53 O ATOM 293 CG2 THR A 18 12.230 -3.199 0.990 1.00 21.12 C ATOM 0 H THR A 18 14.861 -1.454 3.463 1.00 22.20 H new ATOM 0 HA THR A 18 14.807 -2.029 0.607 1.00 34.20 H new ATOM 0 HB THR A 18 12.812 -2.419 2.884 1.00 45.22 H new ATOM 0 HG1 THR A 18 13.544 -4.665 2.669 1.00 21.53 H new ATOM 0 HG21 THR A 18 11.616 -3.994 1.413 1.00 21.12 H new ATOM 0 HG22 THR A 18 11.603 -2.334 0.772 1.00 21.12 H new ATOM 0 HG23 THR A 18 12.696 -3.551 0.070 1.00 21.12 H new ATOM 301 N ASP A 19 13.096 0.406 2.065 1.00 25.45 N ATOM 302 CA ASP A 19 12.307 1.634 1.897 1.00 11.04 C ATOM 303 C ASP A 19 12.975 2.588 0.891 1.00 53.53 C ATOM 304 O ASP A 19 13.885 3.363 1.221 1.00 12.45 O ATOM 305 CB ASP A 19 12.075 2.310 3.268 1.00 3.21 C ATOM 306 CG ASP A 19 11.397 3.681 3.178 1.00 0.03 C ATOM 307 OD1 ASP A 19 10.180 3.728 2.907 1.00 63.34 O ATOM 308 OD2 ASP A 19 12.084 4.703 3.380 1.00 72.44 O ATOM 0 H ASP A 19 13.394 0.248 3.028 1.00 25.45 H new ATOM 0 HA ASP A 19 11.333 1.371 1.485 1.00 11.04 H new ATOM 0 HB2 ASP A 19 11.464 1.653 3.887 1.00 3.21 H new ATOM 0 HB3 ASP A 19 13.034 2.423 3.773 1.00 3.21 H new ATOM 313 N GLU A 20 12.537 2.437 -0.356 1.00 22.13 N ATOM 314 CA GLU A 20 12.994 3.213 -1.497 1.00 34.31 C ATOM 315 C GLU A 20 11.787 3.379 -2.417 1.00 32.50 C ATOM 316 O GLU A 20 11.264 4.484 -2.597 1.00 51.32 O ATOM 317 CB GLU A 20 14.170 2.472 -2.211 1.00 3.44 C ATOM 318 CG GLU A 20 14.912 3.311 -3.268 1.00 12.33 C ATOM 319 CD GLU A 20 15.582 4.553 -2.658 1.00 72.14 C ATOM 320 OE1 GLU A 20 15.058 5.678 -2.818 1.00 12.11 O ATOM 321 OE2 GLU A 20 16.620 4.403 -1.977 1.00 1.40 O ATOM 0 H GLU A 20 11.829 1.746 -0.605 1.00 22.13 H new ATOM 0 HA GLU A 20 13.377 4.189 -1.199 1.00 34.31 H new ATOM 0 HB2 GLU A 20 14.887 2.146 -1.457 1.00 3.44 H new ATOM 0 HB3 GLU A 20 13.779 1.574 -2.689 1.00 3.44 H new ATOM 0 HG2 GLU A 20 15.668 2.694 -3.754 1.00 12.33 H new ATOM 0 HG3 GLU A 20 14.209 3.622 -4.041 1.00 12.33 H new ATOM 328 N LEU A 21 11.323 2.233 -2.944 1.00 73.32 N ATOM 329 CA LEU A 21 10.034 2.131 -3.649 1.00 70.32 C ATOM 330 C LEU A 21 8.870 2.199 -2.642 1.00 43.23 C ATOM 331 O LEU A 21 7.756 2.564 -3.008 1.00 71.13 O ATOM 332 CB LEU A 21 9.939 0.827 -4.513 1.00 10.54 C ATOM 333 CG LEU A 21 9.808 -0.563 -3.767 1.00 65.11 C ATOM 334 CD1 LEU A 21 9.481 -1.702 -4.761 1.00 34.30 C ATOM 335 CD2 LEU A 21 11.079 -0.921 -2.946 1.00 71.24 C ATOM 0 H LEU A 21 11.832 1.350 -2.893 1.00 73.32 H new ATOM 0 HA LEU A 21 9.964 2.977 -4.333 1.00 70.32 H new ATOM 0 HB2 LEU A 21 9.080 0.930 -5.176 1.00 10.54 H new ATOM 0 HB3 LEU A 21 10.826 0.782 -5.145 1.00 10.54 H new ATOM 0 HG LEU A 21 8.982 -0.457 -3.064 1.00 65.11 H new ATOM 0 HD11 LEU A 21 9.397 -2.644 -4.220 1.00 34.30 H new ATOM 0 HD12 LEU A 21 8.538 -1.487 -5.263 1.00 34.30 H new ATOM 0 HD13 LEU A 21 10.277 -1.779 -5.501 1.00 34.30 H new ATOM 0 HD21 LEU A 21 10.936 -1.883 -2.455 1.00 71.24 H new ATOM 0 HD22 LEU A 21 11.939 -0.979 -3.613 1.00 71.24 H new ATOM 0 HD23 LEU A 21 11.255 -0.152 -2.194 1.00 71.24 H new ATOM 347 N LEU A 22 9.153 1.840 -1.371 1.00 31.25 N ATOM 348 CA LEU A 22 8.162 1.873 -0.281 1.00 31.45 C ATOM 349 C LEU A 22 7.779 3.321 0.083 1.00 34.32 C ATOM 350 O LEU A 22 6.595 3.608 0.302 1.00 54.23 O ATOM 351 CB LEU A 22 8.687 1.141 0.976 1.00 20.03 C ATOM 352 CG LEU A 22 9.014 -0.375 0.829 1.00 71.41 C ATOM 353 CD1 LEU A 22 9.504 -0.966 2.170 1.00 45.41 C ATOM 354 CD2 LEU A 22 7.804 -1.168 0.279 1.00 4.04 C ATOM 0 H LEU A 22 10.075 1.520 -1.075 1.00 31.25 H new ATOM 0 HA LEU A 22 7.273 1.356 -0.641 1.00 31.45 H new ATOM 0 HB2 LEU A 22 9.590 1.651 1.312 1.00 20.03 H new ATOM 0 HB3 LEU A 22 7.945 1.252 1.767 1.00 20.03 H new ATOM 0 HG LEU A 22 9.821 -0.469 0.103 1.00 71.41 H new ATOM 0 HD11 LEU A 22 9.726 -2.025 2.041 1.00 45.41 H new ATOM 0 HD12 LEU A 22 10.405 -0.443 2.491 1.00 45.41 H new ATOM 0 HD13 LEU A 22 8.727 -0.847 2.925 1.00 45.41 H new ATOM 0 HD21 LEU A 22 8.069 -2.221 0.190 1.00 4.04 H new ATOM 0 HD22 LEU A 22 6.960 -1.063 0.961 1.00 4.04 H new ATOM 0 HD23 LEU A 22 7.529 -0.779 -0.701 1.00 4.04 H new ATOM 366 N GLU A 23 8.786 4.228 0.158 1.00 33.32 N ATOM 367 CA GLU A 23 8.540 5.668 0.396 1.00 23.22 C ATOM 368 C GLU A 23 7.697 6.256 -0.747 1.00 12.54 C ATOM 369 O GLU A 23 6.817 7.085 -0.506 1.00 4.41 O ATOM 370 CB GLU A 23 9.859 6.473 0.548 1.00 60.41 C ATOM 371 CG GLU A 23 9.624 7.970 0.893 1.00 70.50 C ATOM 372 CD GLU A 23 10.905 8.814 0.919 1.00 71.41 C ATOM 373 OE1 GLU A 23 11.590 8.831 1.957 1.00 21.33 O ATOM 374 OE2 GLU A 23 11.227 9.472 -0.097 1.00 53.33 O ATOM 0 H GLU A 23 9.772 3.986 0.057 1.00 33.32 H new ATOM 0 HA GLU A 23 7.995 5.752 1.336 1.00 23.22 H new ATOM 0 HB2 GLU A 23 10.467 6.018 1.329 1.00 60.41 H new ATOM 0 HB3 GLU A 23 10.428 6.405 -0.379 1.00 60.41 H new ATOM 0 HG2 GLU A 23 8.935 8.396 0.164 1.00 70.50 H new ATOM 0 HG3 GLU A 23 9.138 8.036 1.867 1.00 70.50 H new ATOM 381 N ARG A 24 7.971 5.789 -1.986 1.00 42.53 N ATOM 382 CA ARG A 24 7.193 6.150 -3.187 1.00 33.52 C ATOM 383 C ARG A 24 5.712 5.731 -3.042 1.00 74.43 C ATOM 384 O ARG A 24 4.817 6.381 -3.601 1.00 0.41 O ATOM 385 CB ARG A 24 7.820 5.492 -4.449 1.00 34.14 C ATOM 386 CG ARG A 24 9.199 6.055 -4.859 1.00 24.43 C ATOM 387 CD ARG A 24 9.117 7.522 -5.329 1.00 2.55 C ATOM 388 NE ARG A 24 8.093 7.715 -6.382 1.00 51.02 N ATOM 389 CZ ARG A 24 8.304 7.642 -7.709 1.00 24.33 C ATOM 390 NH1 ARG A 24 9.505 7.378 -8.199 1.00 15.23 N ATOM 391 NH2 ARG A 24 7.293 7.818 -8.541 1.00 54.44 N ATOM 0 H ARG A 24 8.741 5.149 -2.179 1.00 42.53 H new ATOM 0 HA ARG A 24 7.225 7.234 -3.298 1.00 33.52 H new ATOM 0 HB2 ARG A 24 7.919 4.421 -4.271 1.00 34.14 H new ATOM 0 HB3 ARG A 24 7.131 5.614 -5.285 1.00 34.14 H new ATOM 0 HG2 ARG A 24 9.884 5.985 -4.014 1.00 24.43 H new ATOM 0 HG3 ARG A 24 9.616 5.443 -5.659 1.00 24.43 H new ATOM 0 HD2 ARG A 24 8.886 8.162 -4.478 1.00 2.55 H new ATOM 0 HD3 ARG A 24 10.090 7.835 -5.708 1.00 2.55 H new ATOM 0 HE ARG A 24 7.143 7.922 -6.074 1.00 51.02 H new ATOM 0 HH11 ARG A 24 10.291 7.226 -7.567 1.00 15.23 H new ATOM 0 HH12 ARG A 24 9.644 7.327 -9.208 1.00 15.23 H new ATOM 0 HH21 ARG A 24 6.360 8.008 -8.176 1.00 54.44 H new ATOM 0 HH22 ARG A 24 7.446 7.764 -9.548 1.00 54.44 H new ATOM 405 N LEU A 25 5.464 4.639 -2.279 1.00 32.13 N ATOM 406 CA LEU A 25 4.101 4.169 -1.977 1.00 45.23 C ATOM 407 C LEU A 25 3.479 5.056 -0.884 1.00 14.41 C ATOM 408 O LEU A 25 2.277 5.332 -0.922 1.00 31.04 O ATOM 409 CB LEU A 25 4.111 2.671 -1.551 1.00 44.44 C ATOM 410 CG LEU A 25 4.679 1.676 -2.611 1.00 14.50 C ATOM 411 CD1 LEU A 25 4.786 0.246 -2.047 1.00 33.05 C ATOM 412 CD2 LEU A 25 3.849 1.706 -3.918 1.00 64.24 C ATOM 0 H LEU A 25 6.199 4.068 -1.862 1.00 32.13 H new ATOM 0 HA LEU A 25 3.491 4.246 -2.877 1.00 45.23 H new ATOM 0 HB2 LEU A 25 4.697 2.575 -0.637 1.00 44.44 H new ATOM 0 HB3 LEU A 25 3.091 2.373 -1.308 1.00 44.44 H new ATOM 0 HG LEU A 25 5.689 2.006 -2.856 1.00 14.50 H new ATOM 0 HD11 LEU A 25 5.185 -0.418 -2.813 1.00 33.05 H new ATOM 0 HD12 LEU A 25 5.451 0.244 -1.183 1.00 33.05 H new ATOM 0 HD13 LEU A 25 3.798 -0.101 -1.745 1.00 33.05 H new ATOM 0 HD21 LEU A 25 4.272 1.001 -4.634 1.00 64.24 H new ATOM 0 HD22 LEU A 25 2.818 1.427 -3.701 1.00 64.24 H new ATOM 0 HD23 LEU A 25 3.872 2.710 -4.341 1.00 64.24 H new ATOM 424 N ARG A 26 4.322 5.526 0.079 1.00 64.02 N ATOM 425 CA ARG A 26 3.868 6.420 1.163 1.00 22.23 C ATOM 426 C ARG A 26 3.529 7.810 0.621 1.00 55.34 C ATOM 427 O ARG A 26 2.763 8.532 1.242 1.00 42.42 O ATOM 428 CB ARG A 26 4.902 6.559 2.315 1.00 43.13 C ATOM 429 CG ARG A 26 4.273 7.099 3.633 1.00 41.54 C ATOM 430 CD ARG A 26 5.229 7.113 4.829 1.00 2.54 C ATOM 431 NE ARG A 26 4.552 7.593 6.059 1.00 21.21 N ATOM 432 CZ ARG A 26 4.963 8.608 6.843 1.00 72.53 C ATOM 433 NH1 ARG A 26 6.065 9.294 6.552 1.00 75.24 N ATOM 434 NH2 ARG A 26 4.257 8.935 7.918 1.00 5.13 N ATOM 0 H ARG A 26 5.315 5.296 0.119 1.00 64.02 H new ATOM 0 HA ARG A 26 2.974 5.953 1.576 1.00 22.23 H new ATOM 0 HB2 ARG A 26 5.357 5.587 2.507 1.00 43.13 H new ATOM 0 HB3 ARG A 26 5.702 7.229 1.999 1.00 43.13 H new ATOM 0 HG2 ARG A 26 3.911 8.113 3.460 1.00 41.54 H new ATOM 0 HG3 ARG A 26 3.405 6.489 3.884 1.00 41.54 H new ATOM 0 HD2 ARG A 26 5.620 6.109 4.996 1.00 2.54 H new ATOM 0 HD3 ARG A 26 6.082 7.755 4.607 1.00 2.54 H new ATOM 0 HE ARG A 26 3.697 7.110 6.336 1.00 21.21 H new ATOM 0 HH11 ARG A 26 6.612 9.054 5.725 1.00 75.24 H new ATOM 0 HH12 ARG A 26 6.363 10.060 7.156 1.00 75.24 H new ATOM 0 HH21 ARG A 26 3.408 8.418 8.147 1.00 5.13 H new ATOM 0 HH22 ARG A 26 4.564 9.703 8.515 1.00 5.13 H new ATOM 448 N GLN A 27 4.118 8.190 -0.531 1.00 22.40 N ATOM 449 CA GLN A 27 3.779 9.456 -1.199 1.00 43.41 C ATOM 450 C GLN A 27 2.302 9.434 -1.609 1.00 33.33 C ATOM 451 O GLN A 27 1.585 10.413 -1.402 1.00 1.22 O ATOM 452 CB GLN A 27 4.689 9.724 -2.431 1.00 73.53 C ATOM 453 CG GLN A 27 6.201 9.791 -2.127 1.00 65.44 C ATOM 454 CD GLN A 27 6.549 10.682 -0.924 1.00 12.34 C ATOM 455 OE1 GLN A 27 6.747 11.893 -1.062 1.00 63.31 O ATOM 456 NE2 GLN A 27 6.664 10.078 0.258 1.00 32.34 N ATOM 0 H GLN A 27 4.827 7.639 -1.014 1.00 22.40 H new ATOM 0 HA GLN A 27 3.950 10.271 -0.496 1.00 43.41 H new ATOM 0 HB2 GLN A 27 4.517 8.939 -3.168 1.00 73.53 H new ATOM 0 HB3 GLN A 27 4.385 10.665 -2.890 1.00 73.53 H new ATOM 0 HG2 GLN A 27 6.570 8.783 -1.940 1.00 65.44 H new ATOM 0 HG3 GLN A 27 6.724 10.164 -3.008 1.00 65.44 H new ATOM 0 HE21 GLN A 27 6.493 9.076 0.337 1.00 32.34 H new ATOM 0 HE22 GLN A 27 6.923 10.618 1.084 1.00 32.34 H new ATOM 465 N LEU A 28 1.861 8.277 -2.139 1.00 72.33 N ATOM 466 CA LEU A 28 0.468 8.061 -2.549 1.00 74.42 C ATOM 467 C LEU A 28 -0.454 7.925 -1.313 1.00 70.23 C ATOM 468 O LEU A 28 -1.565 8.441 -1.328 1.00 2.02 O ATOM 469 CB LEU A 28 0.359 6.814 -3.463 1.00 53.20 C ATOM 470 CG LEU A 28 -1.065 6.507 -4.048 1.00 22.35 C ATOM 471 CD1 LEU A 28 -1.620 7.687 -4.874 1.00 32.23 C ATOM 472 CD2 LEU A 28 -1.054 5.215 -4.879 1.00 15.31 C ATOM 0 H LEU A 28 2.464 7.469 -2.293 1.00 72.33 H new ATOM 0 HA LEU A 28 0.138 8.930 -3.118 1.00 74.42 H new ATOM 0 HB2 LEU A 28 1.052 6.937 -4.295 1.00 53.20 H new ATOM 0 HB3 LEU A 28 0.692 5.944 -2.897 1.00 53.20 H new ATOM 0 HG LEU A 28 -1.734 6.363 -3.200 1.00 22.35 H new ATOM 0 HD11 LEU A 28 -2.607 7.429 -5.259 1.00 32.23 H new ATOM 0 HD12 LEU A 28 -1.697 8.570 -4.240 1.00 32.23 H new ATOM 0 HD13 LEU A 28 -0.949 7.895 -5.707 1.00 32.23 H new ATOM 0 HD21 LEU A 28 -2.053 5.027 -5.272 1.00 15.31 H new ATOM 0 HD22 LEU A 28 -0.353 5.321 -5.707 1.00 15.31 H new ATOM 0 HD23 LEU A 28 -0.749 4.380 -4.249 1.00 15.31 H new ATOM 484 N PHE A 29 0.023 7.242 -0.240 1.00 52.40 N ATOM 485 CA PHE A 29 -0.763 7.052 1.012 1.00 54.33 C ATOM 486 C PHE A 29 -1.024 8.402 1.712 1.00 30.34 C ATOM 487 O PHE A 29 -2.152 8.698 2.105 1.00 60.54 O ATOM 488 CB PHE A 29 -0.048 6.069 1.994 1.00 72.33 C ATOM 489 CG PHE A 29 0.146 4.633 1.479 1.00 14.44 C ATOM 490 CD1 PHE A 29 -0.767 4.047 0.595 1.00 4.33 C ATOM 491 CD2 PHE A 29 1.245 3.864 1.894 1.00 62.13 C ATOM 492 CE1 PHE A 29 -0.575 2.758 0.130 1.00 34.34 C ATOM 493 CE2 PHE A 29 1.430 2.575 1.425 1.00 3.25 C ATOM 494 CZ PHE A 29 0.518 2.021 0.550 1.00 42.42 C ATOM 0 H PHE A 29 0.948 6.813 -0.215 1.00 52.40 H new ATOM 0 HA PHE A 29 -1.720 6.614 0.728 1.00 54.33 H new ATOM 0 HB2 PHE A 29 0.930 6.481 2.243 1.00 72.33 H new ATOM 0 HB3 PHE A 29 -0.622 6.029 2.920 1.00 72.33 H new ATOM 0 HD1 PHE A 29 -1.632 4.608 0.272 1.00 4.33 H new ATOM 0 HD2 PHE A 29 1.956 4.284 2.589 1.00 62.13 H new ATOM 0 HE1 PHE A 29 -1.281 2.326 -0.563 1.00 34.34 H new ATOM 0 HE2 PHE A 29 2.288 2.003 1.744 1.00 3.25 H new ATOM 0 HZ PHE A 29 0.658 1.011 0.193 1.00 42.42 H new ATOM 504 N GLU A 30 0.046 9.211 1.836 1.00 14.44 N ATOM 505 CA GLU A 30 0.016 10.553 2.457 1.00 62.04 C ATOM 506 C GLU A 30 -0.769 11.554 1.600 1.00 4.22 C ATOM 507 O GLU A 30 -1.359 12.502 2.127 1.00 13.51 O ATOM 508 CB GLU A 30 1.460 11.075 2.709 1.00 5.35 C ATOM 509 CG GLU A 30 2.159 10.446 3.933 1.00 74.12 C ATOM 510 CD GLU A 30 1.568 10.944 5.269 1.00 12.40 C ATOM 511 OE1 GLU A 30 0.577 10.367 5.768 1.00 73.14 O ATOM 512 OE2 GLU A 30 2.074 11.945 5.814 1.00 41.21 O ATOM 0 H GLU A 30 0.973 8.947 1.502 1.00 14.44 H new ATOM 0 HA GLU A 30 -0.496 10.458 3.415 1.00 62.04 H new ATOM 0 HB2 GLU A 30 2.063 10.882 1.822 1.00 5.35 H new ATOM 0 HB3 GLU A 30 1.425 12.156 2.841 1.00 5.35 H new ATOM 0 HG2 GLU A 30 2.069 9.361 3.881 1.00 74.12 H new ATOM 0 HG3 GLU A 30 3.223 10.680 3.900 1.00 74.12 H new ATOM 519 N GLU A 31 -0.743 11.343 0.277 1.00 22.53 N ATOM 520 CA GLU A 31 -1.520 12.141 -0.679 1.00 11.21 C ATOM 521 C GLU A 31 -3.025 11.886 -0.473 1.00 71.23 C ATOM 522 O GLU A 31 -3.792 12.814 -0.241 1.00 54.00 O ATOM 523 CB GLU A 31 -1.092 11.771 -2.114 1.00 41.54 C ATOM 524 CG GLU A 31 -1.746 12.599 -3.227 1.00 15.14 C ATOM 525 CD GLU A 31 -1.420 12.053 -4.623 1.00 34.50 C ATOM 526 OE1 GLU A 31 -0.497 12.571 -5.290 1.00 31.33 O ATOM 527 OE2 GLU A 31 -2.080 11.084 -5.047 1.00 72.20 O ATOM 0 H GLU A 31 -0.181 10.613 -0.160 1.00 22.53 H new ATOM 0 HA GLU A 31 -1.330 13.202 -0.517 1.00 11.21 H new ATOM 0 HB2 GLU A 31 -0.010 11.878 -2.192 1.00 41.54 H new ATOM 0 HB3 GLU A 31 -1.321 10.719 -2.284 1.00 41.54 H new ATOM 0 HG2 GLU A 31 -2.827 12.606 -3.085 1.00 15.14 H new ATOM 0 HG3 GLU A 31 -1.408 13.633 -3.155 1.00 15.14 H new ATOM 534 N LEU A 32 -3.409 10.594 -0.496 1.00 74.31 N ATOM 535 CA LEU A 32 -4.808 10.138 -0.321 1.00 71.33 C ATOM 536 C LEU A 32 -5.311 10.385 1.118 1.00 54.01 C ATOM 537 O LEU A 32 -6.519 10.425 1.363 1.00 63.24 O ATOM 538 CB LEU A 32 -4.914 8.630 -0.663 1.00 22.30 C ATOM 539 CG LEU A 32 -4.606 8.241 -2.138 1.00 33.23 C ATOM 540 CD1 LEU A 32 -4.538 6.710 -2.313 1.00 33.44 C ATOM 541 CD2 LEU A 32 -5.633 8.876 -3.103 1.00 24.04 C ATOM 0 H LEU A 32 -2.751 9.827 -0.638 1.00 74.31 H new ATOM 0 HA LEU A 32 -5.437 10.715 -0.999 1.00 71.33 H new ATOM 0 HB2 LEU A 32 -4.231 8.082 -0.014 1.00 22.30 H new ATOM 0 HB3 LEU A 32 -5.922 8.293 -0.422 1.00 22.30 H new ATOM 0 HG LEU A 32 -3.623 8.639 -2.390 1.00 33.23 H new ATOM 0 HD11 LEU A 32 -4.321 6.472 -3.354 1.00 33.44 H new ATOM 0 HD12 LEU A 32 -3.750 6.306 -1.677 1.00 33.44 H new ATOM 0 HD13 LEU A 32 -5.494 6.269 -2.031 1.00 33.44 H new ATOM 0 HD21 LEU A 32 -5.396 8.589 -4.127 1.00 24.04 H new ATOM 0 HD22 LEU A 32 -6.634 8.526 -2.851 1.00 24.04 H new ATOM 0 HD23 LEU A 32 -5.595 9.962 -3.012 1.00 24.04 H new ATOM 553 N HIS A 33 -4.364 10.554 2.058 1.00 12.23 N ATOM 554 CA HIS A 33 -4.645 10.846 3.478 1.00 2.22 C ATOM 555 C HIS A 33 -5.395 12.203 3.639 1.00 62.34 C ATOM 556 O HIS A 33 -6.015 12.443 4.681 1.00 44.44 O ATOM 557 CB HIS A 33 -3.307 10.827 4.267 1.00 43.12 C ATOM 558 CG HIS A 33 -3.415 10.796 5.766 1.00 22.41 C ATOM 559 ND1 HIS A 33 -2.329 10.983 6.586 1.00 43.02 N ATOM 560 CD2 HIS A 33 -4.465 10.572 6.593 1.00 73.40 C ATOM 561 CE1 HIS A 33 -2.706 10.885 7.838 1.00 52.11 C ATOM 562 NE2 HIS A 33 -3.993 10.635 7.870 1.00 60.34 N ATOM 0 H HIS A 33 -3.367 10.491 1.851 1.00 12.23 H new ATOM 0 HA HIS A 33 -5.306 10.080 3.884 1.00 2.22 H new ATOM 0 HB2 HIS A 33 -2.735 9.956 3.948 1.00 43.12 H new ATOM 0 HB3 HIS A 33 -2.731 11.708 3.984 1.00 43.12 H new ATOM 0 HD2 HIS A 33 -5.485 10.380 6.296 1.00 73.40 H new ATOM 0 HE1 HIS A 33 -2.064 10.992 8.700 1.00 52.11 H new ATOM 0 HE2 HIS A 33 -4.551 10.508 8.714 1.00 60.34 H new ATOM 571 N GLU A 34 -5.348 13.063 2.584 1.00 71.13 N ATOM 572 CA GLU A 34 -6.107 14.334 2.529 1.00 23.14 C ATOM 573 C GLU A 34 -7.624 14.083 2.731 1.00 62.14 C ATOM 574 O GLU A 34 -8.303 14.850 3.423 1.00 34.14 O ATOM 575 CB GLU A 34 -5.851 15.071 1.179 1.00 55.00 C ATOM 576 CG GLU A 34 -6.484 14.408 -0.073 1.00 4.53 C ATOM 577 CD GLU A 34 -6.095 15.080 -1.403 1.00 53.41 C ATOM 578 OE1 GLU A 34 -6.457 16.258 -1.608 1.00 52.14 O ATOM 579 OE2 GLU A 34 -5.428 14.435 -2.242 1.00 34.02 O ATOM 0 H GLU A 34 -4.783 12.891 1.752 1.00 71.13 H new ATOM 0 HA GLU A 34 -5.756 14.970 3.341 1.00 23.14 H new ATOM 0 HB2 GLU A 34 -6.233 16.089 1.262 1.00 55.00 H new ATOM 0 HB3 GLU A 34 -4.775 15.146 1.024 1.00 55.00 H new ATOM 0 HG2 GLU A 34 -6.185 13.360 -0.106 1.00 4.53 H new ATOM 0 HG3 GLU A 34 -7.569 14.427 0.028 1.00 4.53 H new ATOM 586 N ARG A 35 -8.143 12.985 2.130 1.00 65.22 N ATOM 587 CA ARG A 35 -9.554 12.583 2.273 1.00 53.25 C ATOM 588 C ARG A 35 -9.666 11.489 3.345 1.00 62.33 C ATOM 589 O ARG A 35 -10.679 11.406 4.050 1.00 4.23 O ATOM 590 CB ARG A 35 -10.158 12.100 0.916 1.00 22.10 C ATOM 591 CG ARG A 35 -9.423 10.896 0.234 1.00 33.54 C ATOM 592 CD ARG A 35 -8.561 11.296 -0.981 1.00 71.45 C ATOM 593 NE ARG A 35 -9.390 11.672 -2.135 1.00 12.24 N ATOM 594 CZ ARG A 35 -8.980 12.385 -3.191 1.00 30.22 C ATOM 595 NH1 ARG A 35 -7.733 12.842 -3.278 1.00 52.31 N ATOM 596 NH2 ARG A 35 -9.829 12.632 -4.170 1.00 54.25 N ATOM 0 H ARG A 35 -7.596 12.360 1.538 1.00 65.22 H new ATOM 0 HA ARG A 35 -10.132 13.453 2.584 1.00 53.25 H new ATOM 0 HB2 ARG A 35 -11.198 11.820 1.082 1.00 22.10 H new ATOM 0 HB3 ARG A 35 -10.161 12.940 0.222 1.00 22.10 H new ATOM 0 HG2 ARG A 35 -8.788 10.406 0.972 1.00 33.54 H new ATOM 0 HG3 ARG A 35 -10.165 10.164 -0.085 1.00 33.54 H new ATOM 0 HD2 ARG A 35 -7.915 12.131 -0.710 1.00 71.45 H new ATOM 0 HD3 ARG A 35 -7.911 10.465 -1.255 1.00 71.45 H new ATOM 0 HE ARG A 35 -10.362 11.363 -2.131 1.00 12.24 H new ATOM 0 HH11 ARG A 35 -7.066 12.651 -2.530 1.00 52.31 H new ATOM 0 HH12 ARG A 35 -7.444 13.383 -4.093 1.00 52.31 H new ATOM 0 HH21 ARG A 35 -10.785 12.281 -4.117 1.00 54.25 H new ATOM 0 HH22 ARG A 35 -9.529 13.174 -4.980 1.00 54.25 H new ATOM 610 N GLY A 36 -8.588 10.672 3.467 1.00 44.11 N ATOM 611 CA GLY A 36 -8.521 9.571 4.426 1.00 53.52 C ATOM 612 C GLY A 36 -9.615 8.538 4.220 1.00 31.41 C ATOM 613 O GLY A 36 -10.136 7.992 5.183 1.00 62.15 O ATOM 0 H GLY A 36 -7.748 10.769 2.897 1.00 44.11 H new ATOM 0 HA2 GLY A 36 -7.549 9.084 4.345 1.00 53.52 H new ATOM 0 HA3 GLY A 36 -8.593 9.972 5.437 1.00 53.52 H new ATOM 617 N THR A 37 -9.941 8.258 2.945 1.00 54.35 N ATOM 618 CA THR A 37 -11.061 7.368 2.569 1.00 23.52 C ATOM 619 C THR A 37 -10.669 5.878 2.752 1.00 13.54 C ATOM 620 O THR A 37 -9.643 5.565 3.375 1.00 32.41 O ATOM 621 CB THR A 37 -11.505 7.668 1.079 1.00 22.24 C ATOM 622 OG1 THR A 37 -12.732 6.979 0.761 1.00 31.31 O ATOM 623 CG2 THR A 37 -10.414 7.268 0.061 1.00 1.13 C ATOM 0 H THR A 37 -9.437 8.641 2.145 1.00 54.35 H new ATOM 0 HA THR A 37 -11.907 7.564 3.228 1.00 23.52 H new ATOM 0 HB THR A 37 -11.663 8.744 1.007 1.00 22.24 H new ATOM 0 HG1 THR A 37 -12.990 7.179 -0.163 1.00 31.31 H new ATOM 0 HG21 THR A 37 -10.759 7.491 -0.949 1.00 1.13 H new ATOM 0 HG22 THR A 37 -9.503 7.830 0.265 1.00 1.13 H new ATOM 0 HG23 THR A 37 -10.209 6.201 0.147 1.00 1.13 H new ATOM 631 N GLU A 38 -11.528 4.974 2.245 1.00 54.01 N ATOM 632 CA GLU A 38 -11.243 3.537 2.153 1.00 74.43 C ATOM 633 C GLU A 38 -10.043 3.277 1.212 1.00 75.15 C ATOM 634 O GLU A 38 -10.195 3.092 -0.007 1.00 22.44 O ATOM 635 CB GLU A 38 -12.518 2.763 1.705 1.00 25.34 C ATOM 636 CG GLU A 38 -13.235 3.338 0.458 1.00 4.34 C ATOM 637 CD GLU A 38 -14.500 2.553 0.082 1.00 44.03 C ATOM 638 OE1 GLU A 38 -14.385 1.535 -0.635 1.00 72.31 O ATOM 639 OE2 GLU A 38 -15.609 2.930 0.519 1.00 13.11 O ATOM 0 H GLU A 38 -12.448 5.227 1.885 1.00 54.01 H new ATOM 0 HA GLU A 38 -10.963 3.166 3.139 1.00 74.43 H new ATOM 0 HB2 GLU A 38 -12.242 1.728 1.501 1.00 25.34 H new ATOM 0 HB3 GLU A 38 -13.224 2.747 2.535 1.00 25.34 H new ATOM 0 HG2 GLU A 38 -13.501 4.378 0.645 1.00 4.34 H new ATOM 0 HG3 GLU A 38 -12.546 3.333 -0.386 1.00 4.34 H new ATOM 646 N ILE A 39 -8.836 3.300 1.802 1.00 61.12 N ATOM 647 CA ILE A 39 -7.589 3.029 1.091 1.00 51.31 C ATOM 648 C ILE A 39 -7.267 1.545 1.279 1.00 52.44 C ATOM 649 O ILE A 39 -6.945 1.103 2.381 1.00 32.31 O ATOM 650 CB ILE A 39 -6.401 3.926 1.616 1.00 52.50 C ATOM 651 CG1 ILE A 39 -6.761 5.446 1.504 1.00 31.45 C ATOM 652 CG2 ILE A 39 -5.084 3.614 0.851 1.00 62.21 C ATOM 653 CD1 ILE A 39 -5.779 6.393 2.185 1.00 73.14 C ATOM 0 H ILE A 39 -8.704 3.509 2.792 1.00 61.12 H new ATOM 0 HA ILE A 39 -7.712 3.271 0.035 1.00 51.31 H new ATOM 0 HB ILE A 39 -6.242 3.689 2.668 1.00 52.50 H new ATOM 0 HG12 ILE A 39 -6.826 5.712 0.449 1.00 31.45 H new ATOM 0 HG13 ILE A 39 -7.750 5.602 1.934 1.00 31.45 H new ATOM 0 HG21 ILE A 39 -4.283 4.246 1.233 1.00 62.21 H new ATOM 0 HG22 ILE A 39 -4.819 2.566 0.994 1.00 62.21 H new ATOM 0 HG23 ILE A 39 -5.225 3.810 -0.212 1.00 62.21 H new ATOM 0 HD11 ILE A 39 -6.114 7.422 2.052 1.00 73.14 H new ATOM 0 HD12 ILE A 39 -5.729 6.162 3.249 1.00 73.14 H new ATOM 0 HD13 ILE A 39 -4.791 6.273 1.741 1.00 73.14 H new ATOM 665 N VAL A 40 -7.416 0.773 0.199 1.00 30.40 N ATOM 666 CA VAL A 40 -7.230 -0.677 0.223 1.00 53.52 C ATOM 667 C VAL A 40 -5.888 -1.022 -0.431 1.00 73.44 C ATOM 668 O VAL A 40 -5.733 -0.889 -1.647 1.00 24.34 O ATOM 669 CB VAL A 40 -8.416 -1.422 -0.484 1.00 64.24 C ATOM 670 CG1 VAL A 40 -8.232 -2.961 -0.433 1.00 43.13 C ATOM 671 CG2 VAL A 40 -9.778 -0.991 0.130 1.00 11.50 C ATOM 0 H VAL A 40 -7.670 1.139 -0.719 1.00 30.40 H new ATOM 0 HA VAL A 40 -7.222 -1.015 1.259 1.00 53.52 H new ATOM 0 HB VAL A 40 -8.414 -1.134 -1.535 1.00 64.24 H new ATOM 0 HG11 VAL A 40 -9.072 -3.445 -0.932 1.00 43.13 H new ATOM 0 HG12 VAL A 40 -7.305 -3.233 -0.937 1.00 43.13 H new ATOM 0 HG13 VAL A 40 -8.190 -3.288 0.606 1.00 43.13 H new ATOM 0 HG21 VAL A 40 -10.588 -1.519 -0.374 1.00 11.50 H new ATOM 0 HG22 VAL A 40 -9.792 -1.235 1.192 1.00 11.50 H new ATOM 0 HG23 VAL A 40 -9.911 0.083 0.003 1.00 11.50 H new ATOM 681 N VAL A 41 -4.913 -1.420 0.399 1.00 12.35 N ATOM 682 CA VAL A 41 -3.570 -1.791 -0.044 1.00 52.24 C ATOM 683 C VAL A 41 -3.533 -3.302 -0.287 1.00 54.34 C ATOM 684 O VAL A 41 -3.608 -4.093 0.647 1.00 14.33 O ATOM 685 CB VAL A 41 -2.505 -1.378 1.020 1.00 35.12 C ATOM 686 CG1 VAL A 41 -1.059 -1.698 0.557 1.00 45.54 C ATOM 687 CG2 VAL A 41 -2.666 0.111 1.380 1.00 41.13 C ATOM 0 H VAL A 41 -5.041 -1.493 1.408 1.00 12.35 H new ATOM 0 HA VAL A 41 -3.332 -1.266 -0.969 1.00 52.24 H new ATOM 0 HB VAL A 41 -2.679 -1.973 1.916 1.00 35.12 H new ATOM 0 HG11 VAL A 41 -0.354 -1.393 1.330 1.00 45.54 H new ATOM 0 HG12 VAL A 41 -0.962 -2.769 0.380 1.00 45.54 H new ATOM 0 HG13 VAL A 41 -0.844 -1.157 -0.364 1.00 45.54 H new ATOM 0 HG21 VAL A 41 -1.918 0.389 2.123 1.00 41.13 H new ATOM 0 HG22 VAL A 41 -2.531 0.718 0.485 1.00 41.13 H new ATOM 0 HG23 VAL A 41 -3.663 0.281 1.787 1.00 41.13 H new ATOM 697 N GLU A 42 -3.429 -3.673 -1.554 1.00 22.35 N ATOM 698 CA GLU A 42 -3.536 -5.050 -2.027 1.00 33.14 C ATOM 699 C GLU A 42 -2.199 -5.466 -2.647 1.00 60.45 C ATOM 700 O GLU A 42 -1.678 -4.775 -3.517 1.00 54.01 O ATOM 701 CB GLU A 42 -4.700 -5.138 -3.042 1.00 51.15 C ATOM 702 CG GLU A 42 -4.834 -6.483 -3.778 1.00 74.33 C ATOM 703 CD GLU A 42 -5.048 -7.701 -2.853 1.00 41.22 C ATOM 704 OE1 GLU A 42 -4.053 -8.364 -2.488 1.00 54.53 O ATOM 705 OE2 GLU A 42 -6.213 -8.008 -2.516 1.00 35.43 O ATOM 0 H GLU A 42 -3.263 -3.005 -2.307 1.00 22.35 H new ATOM 0 HA GLU A 42 -3.752 -5.734 -1.206 1.00 33.14 H new ATOM 0 HB2 GLU A 42 -5.634 -4.936 -2.517 1.00 51.15 H new ATOM 0 HB3 GLU A 42 -4.574 -4.349 -3.783 1.00 51.15 H new ATOM 0 HG2 GLU A 42 -5.670 -6.420 -4.474 1.00 74.33 H new ATOM 0 HG3 GLU A 42 -3.936 -6.648 -4.373 1.00 74.33 H new ATOM 712 N VAL A 43 -1.642 -6.590 -2.177 1.00 1.40 N ATOM 713 CA VAL A 43 -0.312 -7.066 -2.576 1.00 71.03 C ATOM 714 C VAL A 43 -0.436 -8.499 -3.124 1.00 55.33 C ATOM 715 O VAL A 43 -0.560 -9.445 -2.352 1.00 34.33 O ATOM 716 CB VAL A 43 0.678 -7.023 -1.346 1.00 13.25 C ATOM 717 CG1 VAL A 43 2.091 -7.536 -1.714 1.00 12.24 C ATOM 718 CG2 VAL A 43 0.749 -5.601 -0.734 1.00 55.45 C ATOM 0 H VAL A 43 -2.106 -7.199 -1.503 1.00 1.40 H new ATOM 0 HA VAL A 43 0.091 -6.417 -3.354 1.00 71.03 H new ATOM 0 HB VAL A 43 0.276 -7.700 -0.593 1.00 13.25 H new ATOM 0 HG11 VAL A 43 2.736 -7.487 -0.836 1.00 12.24 H new ATOM 0 HG12 VAL A 43 2.025 -8.568 -2.059 1.00 12.24 H new ATOM 0 HG13 VAL A 43 2.509 -6.915 -2.506 1.00 12.24 H new ATOM 0 HG21 VAL A 43 1.438 -5.602 0.111 1.00 55.45 H new ATOM 0 HG22 VAL A 43 1.101 -4.897 -1.488 1.00 55.45 H new ATOM 0 HG23 VAL A 43 -0.242 -5.302 -0.393 1.00 55.45 H new ATOM 728 N HIS A 44 -0.419 -8.636 -4.465 1.00 33.31 N ATOM 729 CA HIS A 44 -0.425 -9.934 -5.161 1.00 5.12 C ATOM 730 C HIS A 44 1.014 -10.318 -5.521 1.00 2.12 C ATOM 731 O HIS A 44 1.634 -9.654 -6.356 1.00 42.05 O ATOM 732 CB HIS A 44 -1.264 -9.862 -6.469 1.00 24.02 C ATOM 733 CG HIS A 44 -2.734 -9.610 -6.291 1.00 63.45 C ATOM 734 ND1 HIS A 44 -3.669 -10.622 -6.231 1.00 72.44 N ATOM 735 CD2 HIS A 44 -3.433 -8.462 -6.211 1.00 52.34 C ATOM 736 CE1 HIS A 44 -4.871 -10.102 -6.123 1.00 64.42 C ATOM 737 NE2 HIS A 44 -4.755 -8.796 -6.110 1.00 12.24 N ATOM 0 H HIS A 44 -0.401 -7.838 -5.100 1.00 33.31 H new ATOM 0 HA HIS A 44 -0.869 -10.677 -4.499 1.00 5.12 H new ATOM 0 HB2 HIS A 44 -0.853 -9.073 -7.099 1.00 24.02 H new ATOM 0 HB3 HIS A 44 -1.138 -10.800 -7.011 1.00 24.02 H new ATOM 0 HD2 HIS A 44 -3.025 -7.462 -6.224 1.00 52.34 H new ATOM 0 HE1 HIS A 44 -5.796 -10.656 -6.056 1.00 64.42 H new ATOM 0 HE2 HIS A 44 -5.528 -8.135 -6.036 1.00 12.24 H new ATOM 746 N ILE A 45 1.563 -11.359 -4.870 1.00 33.14 N ATOM 747 CA ILE A 45 2.874 -11.925 -5.239 1.00 22.25 C ATOM 748 C ILE A 45 2.745 -13.433 -5.487 1.00 40.31 C ATOM 749 O ILE A 45 2.418 -14.191 -4.563 1.00 11.34 O ATOM 750 CB ILE A 45 4.001 -11.639 -4.179 1.00 11.30 C ATOM 751 CG1 ILE A 45 4.066 -10.120 -3.822 1.00 41.22 C ATOM 752 CG2 ILE A 45 5.377 -12.134 -4.709 1.00 0.43 C ATOM 753 CD1 ILE A 45 5.158 -9.737 -2.836 1.00 60.13 C ATOM 0 H ILE A 45 1.117 -11.828 -4.082 1.00 33.14 H new ATOM 0 HA ILE A 45 3.183 -11.423 -6.156 1.00 22.25 H new ATOM 0 HB ILE A 45 3.758 -12.187 -3.268 1.00 11.30 H new ATOM 0 HG12 ILE A 45 4.212 -9.552 -4.741 1.00 41.22 H new ATOM 0 HG13 ILE A 45 3.103 -9.818 -3.410 1.00 41.22 H new ATOM 0 HG21 ILE A 45 6.148 -11.930 -3.966 1.00 0.43 H new ATOM 0 HG22 ILE A 45 5.330 -13.206 -4.898 1.00 0.43 H new ATOM 0 HG23 ILE A 45 5.619 -11.613 -5.635 1.00 0.43 H new ATOM 0 HD11 ILE A 45 5.122 -8.663 -2.652 1.00 60.13 H new ATOM 0 HD12 ILE A 45 5.005 -10.271 -1.898 1.00 60.13 H new ATOM 0 HD13 ILE A 45 6.131 -10.002 -3.250 1.00 60.13 H new ATOM 765 N ASN A 46 2.980 -13.826 -6.770 1.00 70.22 N ATOM 766 CA ASN A 46 3.011 -15.230 -7.264 1.00 64.31 C ATOM 767 C ASN A 46 1.599 -15.848 -7.299 1.00 24.34 C ATOM 768 O ASN A 46 1.007 -16.029 -8.375 1.00 52.14 O ATOM 769 CB ASN A 46 4.006 -16.109 -6.454 1.00 11.31 C ATOM 770 CG ASN A 46 5.461 -15.623 -6.546 1.00 53.32 C ATOM 771 OD1 ASN A 46 5.910 -15.142 -7.577 1.00 22.31 O ATOM 772 ND2 ASN A 46 6.190 -15.738 -5.461 1.00 70.34 N ATOM 0 H ASN A 46 3.159 -13.150 -7.513 1.00 70.22 H new ATOM 0 HA ASN A 46 3.378 -15.202 -8.290 1.00 64.31 H new ATOM 0 HB2 ASN A 46 3.700 -16.122 -5.408 1.00 11.31 H new ATOM 0 HB3 ASN A 46 3.950 -17.136 -6.815 1.00 11.31 H new ATOM 0 HD21 ASN A 46 7.160 -15.422 -5.462 1.00 70.34 H new ATOM 0 HD22 ASN A 46 5.787 -16.144 -4.616 1.00 70.34 H new ATOM 779 N GLY A 47 1.072 -16.134 -6.106 1.00 75.04 N ATOM 780 CA GLY A 47 -0.270 -16.711 -5.931 1.00 32.13 C ATOM 781 C GLY A 47 -0.847 -16.434 -4.548 1.00 74.23 C ATOM 782 O GLY A 47 -1.862 -17.024 -4.162 1.00 52.34 O ATOM 0 H GLY A 47 1.564 -15.972 -5.227 1.00 75.04 H new ATOM 0 HA2 GLY A 47 -0.939 -16.304 -6.689 1.00 32.13 H new ATOM 0 HA3 GLY A 47 -0.223 -17.788 -6.093 1.00 32.13 H new ATOM 786 N GLU A 48 -0.182 -15.545 -3.810 1.00 35.14 N ATOM 787 CA GLU A 48 -0.621 -15.071 -2.503 1.00 21.11 C ATOM 788 C GLU A 48 -1.035 -13.614 -2.653 1.00 14.31 C ATOM 789 O GLU A 48 -0.374 -12.864 -3.367 1.00 41.40 O ATOM 790 CB GLU A 48 0.535 -15.184 -1.474 1.00 62.14 C ATOM 791 CG GLU A 48 1.014 -16.622 -1.207 1.00 4.32 C ATOM 792 CD GLU A 48 -0.094 -17.514 -0.624 1.00 1.02 C ATOM 793 OE1 GLU A 48 -0.441 -17.347 0.567 1.00 44.33 O ATOM 794 OE2 GLU A 48 -0.632 -18.381 -1.345 1.00 22.23 O ATOM 0 H GLU A 48 0.697 -15.126 -4.114 1.00 35.14 H new ATOM 0 HA GLU A 48 -1.456 -15.674 -2.145 1.00 21.11 H new ATOM 0 HB2 GLU A 48 1.379 -14.593 -1.829 1.00 62.14 H new ATOM 0 HB3 GLU A 48 0.210 -14.742 -0.532 1.00 62.14 H new ATOM 0 HG2 GLU A 48 1.376 -17.059 -2.137 1.00 4.32 H new ATOM 0 HG3 GLU A 48 1.857 -16.598 -0.517 1.00 4.32 H new ATOM 801 N ARG A 49 -2.130 -13.215 -2.009 1.00 30.12 N ATOM 802 CA ARG A 49 -2.561 -11.809 -1.990 1.00 51.13 C ATOM 803 C ARG A 49 -2.774 -11.353 -0.543 1.00 70.41 C ATOM 804 O ARG A 49 -3.104 -12.169 0.328 1.00 65.31 O ATOM 805 CB ARG A 49 -3.832 -11.582 -2.851 1.00 1.40 C ATOM 806 CG ARG A 49 -5.174 -12.067 -2.241 1.00 3.54 C ATOM 807 CD ARG A 49 -6.393 -11.458 -2.960 1.00 23.14 C ATOM 808 NE ARG A 49 -7.665 -11.883 -2.358 1.00 43.24 N ATOM 809 CZ ARG A 49 -8.684 -11.072 -2.039 1.00 52.41 C ATOM 810 NH1 ARG A 49 -8.601 -9.759 -2.234 1.00 52.12 N ATOM 811 NH2 ARG A 49 -9.782 -11.585 -1.523 1.00 42.41 N ATOM 0 H ARG A 49 -2.741 -13.845 -1.490 1.00 30.12 H new ATOM 0 HA ARG A 49 -1.773 -11.202 -2.436 1.00 51.13 H new ATOM 0 HB2 ARG A 49 -3.917 -10.516 -3.060 1.00 1.40 H new ATOM 0 HB3 ARG A 49 -3.690 -12.084 -3.808 1.00 1.40 H new ATOM 0 HG2 ARG A 49 -5.226 -13.154 -2.299 1.00 3.54 H new ATOM 0 HG3 ARG A 49 -5.208 -11.802 -1.184 1.00 3.54 H new ATOM 0 HD2 ARG A 49 -6.324 -10.371 -2.929 1.00 23.14 H new ATOM 0 HD3 ARG A 49 -6.375 -11.749 -4.010 1.00 23.14 H new ATOM 0 HE ARG A 49 -7.782 -12.878 -2.167 1.00 43.24 H new ATOM 0 HH11 ARG A 49 -7.753 -9.355 -2.632 1.00 52.12 H new ATOM 0 HH12 ARG A 49 -9.385 -9.156 -1.986 1.00 52.12 H new ATOM 0 HH21 ARG A 49 -9.852 -12.591 -1.369 1.00 42.41 H new ATOM 0 HH22 ARG A 49 -10.563 -10.976 -1.277 1.00 42.41 H new ATOM 825 N ASP A 50 -2.581 -10.051 -0.296 1.00 24.42 N ATOM 826 CA ASP A 50 -2.767 -9.451 1.032 1.00 42.02 C ATOM 827 C ASP A 50 -3.536 -8.131 0.872 1.00 61.02 C ATOM 828 O ASP A 50 -3.018 -7.170 0.307 1.00 40.44 O ATOM 829 CB ASP A 50 -1.398 -9.205 1.718 1.00 25.12 C ATOM 830 CG ASP A 50 -1.544 -8.905 3.224 1.00 44.15 C ATOM 831 OD1 ASP A 50 -1.848 -7.755 3.583 1.00 1.44 O ATOM 832 OD2 ASP A 50 -1.360 -9.827 4.060 1.00 55.22 O ATOM 0 H ASP A 50 -2.292 -9.384 -1.011 1.00 24.42 H new ATOM 0 HA ASP A 50 -3.336 -10.133 1.665 1.00 42.02 H new ATOM 0 HB2 ASP A 50 -0.764 -10.082 1.584 1.00 25.12 H new ATOM 0 HB3 ASP A 50 -0.895 -8.370 1.231 1.00 25.12 H new ATOM 837 N GLU A 51 -4.758 -8.098 1.405 1.00 15.32 N ATOM 838 CA GLU A 51 -5.699 -6.973 1.253 1.00 44.31 C ATOM 839 C GLU A 51 -5.846 -6.247 2.605 1.00 34.43 C ATOM 840 O GLU A 51 -6.253 -6.863 3.596 1.00 74.45 O ATOM 841 CB GLU A 51 -7.058 -7.535 0.764 1.00 63.34 C ATOM 842 CG GLU A 51 -8.148 -6.488 0.485 1.00 25.41 C ATOM 843 CD GLU A 51 -9.481 -7.124 0.060 1.00 2.44 C ATOM 844 OE1 GLU A 51 -10.291 -7.475 0.944 1.00 60.35 O ATOM 845 OE2 GLU A 51 -9.711 -7.304 -1.153 1.00 1.43 O ATOM 0 H GLU A 51 -5.134 -8.863 1.965 1.00 15.32 H new ATOM 0 HA GLU A 51 -5.332 -6.253 0.522 1.00 44.31 H new ATOM 0 HB2 GLU A 51 -6.887 -8.107 -0.148 1.00 63.34 H new ATOM 0 HB3 GLU A 51 -7.433 -8.233 1.513 1.00 63.34 H new ATOM 0 HG2 GLU A 51 -8.306 -5.885 1.379 1.00 25.41 H new ATOM 0 HG3 GLU A 51 -7.806 -5.812 -0.299 1.00 25.41 H new ATOM 852 N ILE A 52 -5.498 -4.946 2.649 1.00 41.42 N ATOM 853 CA ILE A 52 -5.562 -4.127 3.878 1.00 72.54 C ATOM 854 C ILE A 52 -6.542 -2.964 3.642 1.00 23.33 C ATOM 855 O ILE A 52 -6.213 -2.032 2.907 1.00 25.42 O ATOM 856 CB ILE A 52 -4.154 -3.517 4.275 1.00 71.10 C ATOM 857 CG1 ILE A 52 -2.982 -4.510 3.986 1.00 64.33 C ATOM 858 CG2 ILE A 52 -4.162 -3.090 5.768 1.00 61.11 C ATOM 859 CD1 ILE A 52 -1.587 -3.897 4.098 1.00 53.14 C ATOM 0 H ILE A 52 -5.164 -4.432 1.834 1.00 41.42 H new ATOM 0 HA ILE A 52 -5.888 -4.776 4.691 1.00 72.54 H new ATOM 0 HB ILE A 52 -3.984 -2.637 3.654 1.00 71.10 H new ATOM 0 HG12 ILE A 52 -3.053 -5.348 4.680 1.00 64.33 H new ATOM 0 HG13 ILE A 52 -3.107 -4.916 2.982 1.00 64.33 H new ATOM 0 HG21 ILE A 52 -3.191 -2.672 6.032 1.00 61.11 H new ATOM 0 HG22 ILE A 52 -4.936 -2.339 5.927 1.00 61.11 H new ATOM 0 HG23 ILE A 52 -4.365 -3.959 6.394 1.00 61.11 H new ATOM 0 HD11 ILE A 52 -0.837 -4.658 3.881 1.00 53.14 H new ATOM 0 HD12 ILE A 52 -1.491 -3.079 3.384 1.00 53.14 H new ATOM 0 HD13 ILE A 52 -1.437 -3.517 5.108 1.00 53.14 H new ATOM 871 N ARG A 53 -7.733 -3.009 4.259 1.00 60.23 N ATOM 872 CA ARG A 53 -8.720 -1.916 4.156 1.00 52.15 C ATOM 873 C ARG A 53 -8.521 -0.966 5.350 1.00 32.31 C ATOM 874 O ARG A 53 -8.850 -1.324 6.483 1.00 43.02 O ATOM 875 CB ARG A 53 -10.184 -2.458 4.139 1.00 41.14 C ATOM 876 CG ARG A 53 -10.539 -3.451 2.988 1.00 42.12 C ATOM 877 CD ARG A 53 -10.087 -4.902 3.247 1.00 24.55 C ATOM 878 NE ARG A 53 -10.653 -5.432 4.507 1.00 62.54 N ATOM 879 CZ ARG A 53 -11.142 -6.672 4.701 1.00 33.12 C ATOM 880 NH1 ARG A 53 -11.164 -7.565 3.719 1.00 75.33 N ATOM 881 NH2 ARG A 53 -11.622 -7.010 5.890 1.00 42.35 N ATOM 0 H ARG A 53 -8.039 -3.792 4.837 1.00 60.23 H new ATOM 0 HA ARG A 53 -8.563 -1.387 3.216 1.00 52.15 H new ATOM 0 HB2 ARG A 53 -10.377 -2.954 5.090 1.00 41.14 H new ATOM 0 HB3 ARG A 53 -10.863 -1.608 4.079 1.00 41.14 H new ATOM 0 HG2 ARG A 53 -11.618 -3.440 2.833 1.00 42.12 H new ATOM 0 HG3 ARG A 53 -10.081 -3.098 2.064 1.00 42.12 H new ATOM 0 HD2 ARG A 53 -10.396 -5.534 2.414 1.00 24.55 H new ATOM 0 HD3 ARG A 53 -8.999 -4.942 3.291 1.00 24.55 H new ATOM 0 HE ARG A 53 -10.675 -4.798 5.305 1.00 62.54 H new ATOM 0 HH11 ARG A 53 -10.806 -7.317 2.796 1.00 75.33 H new ATOM 0 HH12 ARG A 53 -11.539 -8.499 3.887 1.00 75.33 H new ATOM 0 HH21 ARG A 53 -11.620 -6.332 6.652 1.00 42.35 H new ATOM 0 HH22 ARG A 53 -11.993 -7.948 6.042 1.00 42.35 H new ATOM 895 N VAL A 54 -7.941 0.226 5.101 1.00 21.35 N ATOM 896 CA VAL A 54 -7.752 1.268 6.133 1.00 74.12 C ATOM 897 C VAL A 54 -8.628 2.492 5.795 1.00 13.31 C ATOM 898 O VAL A 54 -8.490 3.108 4.736 1.00 54.30 O ATOM 899 CB VAL A 54 -6.230 1.666 6.321 1.00 40.11 C ATOM 900 CG1 VAL A 54 -5.434 0.502 6.962 1.00 52.41 C ATOM 901 CG2 VAL A 54 -5.566 2.115 4.998 1.00 41.15 C ATOM 0 H VAL A 54 -7.591 0.494 4.181 1.00 21.35 H new ATOM 0 HA VAL A 54 -8.070 0.860 7.092 1.00 74.12 H new ATOM 0 HB VAL A 54 -6.209 2.523 6.995 1.00 40.11 H new ATOM 0 HG11 VAL A 54 -4.392 0.797 7.082 1.00 52.41 H new ATOM 0 HG12 VAL A 54 -5.859 0.265 7.937 1.00 52.41 H new ATOM 0 HG13 VAL A 54 -5.491 -0.376 6.318 1.00 52.41 H new ATOM 0 HG21 VAL A 54 -4.524 2.376 5.184 1.00 41.15 H new ATOM 0 HG22 VAL A 54 -5.612 1.302 4.273 1.00 41.15 H new ATOM 0 HG23 VAL A 54 -6.093 2.984 4.603 1.00 41.15 H new ATOM 911 N ARG A 55 -9.571 2.797 6.699 1.00 70.34 N ATOM 912 CA ARG A 55 -10.590 3.841 6.506 1.00 55.22 C ATOM 913 C ARG A 55 -10.458 4.864 7.644 1.00 33.13 C ATOM 914 O ARG A 55 -10.743 4.534 8.806 1.00 63.02 O ATOM 915 CB ARG A 55 -12.005 3.200 6.514 1.00 51.03 C ATOM 916 CG ARG A 55 -12.173 2.006 5.545 1.00 22.11 C ATOM 917 CD ARG A 55 -13.505 1.262 5.718 1.00 51.45 C ATOM 918 NE ARG A 55 -14.675 2.101 5.387 1.00 3.00 N ATOM 919 CZ ARG A 55 -15.746 1.698 4.683 1.00 52.14 C ATOM 920 NH1 ARG A 55 -15.832 0.456 4.211 1.00 43.01 N ATOM 921 NH2 ARG A 55 -16.738 2.545 4.468 1.00 53.10 N ATOM 0 H ARG A 55 -9.649 2.319 7.597 1.00 70.34 H new ATOM 0 HA ARG A 55 -10.445 4.339 5.547 1.00 55.22 H new ATOM 0 HB2 ARG A 55 -12.233 2.865 7.526 1.00 51.03 H new ATOM 0 HB3 ARG A 55 -12.738 3.965 6.259 1.00 51.03 H new ATOM 0 HG2 ARG A 55 -12.098 2.367 4.519 1.00 22.11 H new ATOM 0 HG3 ARG A 55 -11.352 1.306 5.698 1.00 22.11 H new ATOM 0 HD2 ARG A 55 -13.507 0.377 5.082 1.00 51.45 H new ATOM 0 HD3 ARG A 55 -13.592 0.915 6.748 1.00 51.45 H new ATOM 0 HE ARG A 55 -14.669 3.065 5.720 1.00 3.00 H new ATOM 0 HH11 ARG A 55 -15.077 -0.208 4.382 1.00 43.01 H new ATOM 0 HH12 ARG A 55 -16.653 0.168 3.679 1.00 43.01 H new ATOM 0 HH21 ARG A 55 -16.686 3.495 4.835 1.00 53.10 H new ATOM 0 HH22 ARG A 55 -17.555 2.248 3.935 1.00 53.10 H new ATOM 935 N ASN A 56 -10.000 6.086 7.301 1.00 51.42 N ATOM 936 CA ASN A 56 -9.775 7.204 8.254 1.00 4.53 C ATOM 937 C ASN A 56 -8.681 6.831 9.271 1.00 30.04 C ATOM 938 O ASN A 56 -8.961 6.512 10.430 1.00 41.31 O ATOM 939 CB ASN A 56 -11.090 7.665 8.964 1.00 13.53 C ATOM 940 CG ASN A 56 -12.152 8.298 8.049 1.00 45.33 C ATOM 941 OD1 ASN A 56 -12.877 9.201 8.470 1.00 23.42 O ATOM 942 ND2 ASN A 56 -12.317 7.799 6.832 1.00 21.44 N ATOM 0 H ASN A 56 -9.771 6.332 6.338 1.00 51.42 H new ATOM 0 HA ASN A 56 -9.430 8.061 7.675 1.00 4.53 H new ATOM 0 HB2 ASN A 56 -11.533 6.804 9.463 1.00 13.53 H new ATOM 0 HB3 ASN A 56 -10.830 8.384 9.740 1.00 13.53 H new ATOM 0 HD21 ASN A 56 -13.054 8.162 6.227 1.00 21.44 H new ATOM 0 HD22 ASN A 56 -11.707 7.052 6.500 1.00 21.44 H new ATOM 949 N ILE A 57 -7.433 6.832 8.790 1.00 64.13 N ATOM 950 CA ILE A 57 -6.246 6.454 9.580 1.00 23.41 C ATOM 951 C ILE A 57 -5.290 7.648 9.755 1.00 25.03 C ATOM 952 O ILE A 57 -5.496 8.708 9.158 1.00 22.05 O ATOM 953 CB ILE A 57 -5.504 5.200 8.936 1.00 12.12 C ATOM 954 CG1 ILE A 57 -5.457 5.252 7.353 1.00 63.33 C ATOM 955 CG2 ILE A 57 -6.148 3.878 9.427 1.00 20.41 C ATOM 956 CD1 ILE A 57 -4.604 6.354 6.740 1.00 32.31 C ATOM 0 H ILE A 57 -7.211 7.098 7.830 1.00 64.13 H new ATOM 0 HA ILE A 57 -6.585 6.160 10.573 1.00 23.41 H new ATOM 0 HB ILE A 57 -4.469 5.240 9.274 1.00 12.12 H new ATOM 0 HG12 ILE A 57 -5.089 4.292 6.990 1.00 63.33 H new ATOM 0 HG13 ILE A 57 -6.477 5.363 6.984 1.00 63.33 H new ATOM 0 HG21 ILE A 57 -5.629 3.031 8.977 1.00 20.41 H new ATOM 0 HG22 ILE A 57 -6.070 3.816 10.512 1.00 20.41 H new ATOM 0 HG23 ILE A 57 -7.198 3.855 9.137 1.00 20.41 H new ATOM 0 HD11 ILE A 57 -4.650 6.288 5.653 1.00 32.31 H new ATOM 0 HD12 ILE A 57 -4.979 7.326 7.061 1.00 32.31 H new ATOM 0 HD13 ILE A 57 -3.571 6.239 7.067 1.00 32.31 H new ATOM 968 N SER A 58 -4.260 7.457 10.592 1.00 23.12 N ATOM 969 CA SER A 58 -3.207 8.457 10.835 1.00 14.14 C ATOM 970 C SER A 58 -1.967 8.169 9.955 1.00 31.03 C ATOM 971 O SER A 58 -1.872 7.107 9.318 1.00 15.22 O ATOM 972 CB SER A 58 -2.830 8.454 12.335 1.00 74.10 C ATOM 973 OG SER A 58 -3.973 8.657 13.150 1.00 35.03 O ATOM 0 H SER A 58 -4.132 6.597 11.125 1.00 23.12 H new ATOM 0 HA SER A 58 -3.583 9.444 10.566 1.00 14.14 H new ATOM 0 HB2 SER A 58 -2.360 7.505 12.593 1.00 74.10 H new ATOM 0 HB3 SER A 58 -2.097 9.237 12.530 1.00 74.10 H new ATOM 0 HG SER A 58 -3.708 8.649 14.093 1.00 35.03 H new ATOM 979 N LYS A 59 -1.020 9.129 9.938 1.00 72.02 N ATOM 980 CA LYS A 59 0.241 9.028 9.161 1.00 14.52 C ATOM 981 C LYS A 59 1.171 7.932 9.734 1.00 52.02 C ATOM 982 O LYS A 59 1.974 7.328 9.010 1.00 63.20 O ATOM 983 CB LYS A 59 0.929 10.435 9.091 1.00 23.42 C ATOM 984 CG LYS A 59 1.129 11.176 10.448 1.00 31.24 C ATOM 985 CD LYS A 59 2.421 10.762 11.207 1.00 24.32 C ATOM 986 CE LYS A 59 2.550 11.438 12.578 1.00 30.31 C ATOM 987 NZ LYS A 59 3.821 11.087 13.258 1.00 13.22 N ATOM 0 H LYS A 59 -1.105 10.000 10.463 1.00 72.02 H new ATOM 0 HA LYS A 59 0.012 8.719 8.141 1.00 14.52 H new ATOM 0 HB2 LYS A 59 1.905 10.315 8.620 1.00 23.42 H new ATOM 0 HB3 LYS A 59 0.335 11.074 8.437 1.00 23.42 H new ATOM 0 HG2 LYS A 59 1.156 12.250 10.264 1.00 31.24 H new ATOM 0 HG3 LYS A 59 0.267 10.984 11.086 1.00 31.24 H new ATOM 0 HD2 LYS A 59 2.428 9.680 11.339 1.00 24.32 H new ATOM 0 HD3 LYS A 59 3.290 11.015 10.600 1.00 24.32 H new ATOM 0 HE2 LYS A 59 2.492 12.519 12.455 1.00 30.31 H new ATOM 0 HE3 LYS A 59 1.710 11.144 13.207 1.00 30.31 H new ATOM 0 HZ1 LYS A 59 3.865 11.566 14.180 1.00 13.22 H new ATOM 0 HZ2 LYS A 59 3.866 10.058 13.400 1.00 13.22 H new ATOM 0 HZ3 LYS A 59 4.624 11.391 12.671 1.00 13.22 H new ATOM 1001 N GLU A 60 1.026 7.691 11.046 1.00 0.04 N ATOM 1002 CA GLU A 60 1.762 6.649 11.787 1.00 51.31 C ATOM 1003 C GLU A 60 1.139 5.258 11.550 1.00 0.14 C ATOM 1004 O GLU A 60 1.789 4.235 11.774 1.00 41.34 O ATOM 1005 CB GLU A 60 1.763 7.009 13.290 1.00 53.10 C ATOM 1006 CG GLU A 60 0.355 7.234 13.877 1.00 12.20 C ATOM 1007 CD GLU A 60 0.382 7.810 15.294 1.00 23.24 C ATOM 1008 OE1 GLU A 60 0.577 9.037 15.438 1.00 64.50 O ATOM 1009 OE2 GLU A 60 0.220 7.049 16.267 1.00 21.13 O ATOM 0 H GLU A 60 0.384 8.222 11.634 1.00 0.04 H new ATOM 0 HA GLU A 60 2.790 6.606 11.426 1.00 51.31 H new ATOM 0 HB2 GLU A 60 2.254 6.210 13.845 1.00 53.10 H new ATOM 0 HB3 GLU A 60 2.356 7.911 13.438 1.00 53.10 H new ATOM 0 HG2 GLU A 60 -0.200 7.910 13.227 1.00 12.20 H new ATOM 0 HG3 GLU A 60 -0.184 6.287 13.886 1.00 12.20 H new ATOM 1016 N GLU A 61 -0.129 5.237 11.104 1.00 4.40 N ATOM 1017 CA GLU A 61 -0.825 3.994 10.757 1.00 73.43 C ATOM 1018 C GLU A 61 -0.427 3.547 9.343 1.00 11.23 C ATOM 1019 O GLU A 61 -0.083 2.386 9.127 1.00 65.11 O ATOM 1020 CB GLU A 61 -2.364 4.173 10.838 1.00 22.24 C ATOM 1021 CG GLU A 61 -2.894 4.722 12.181 1.00 42.11 C ATOM 1022 CD GLU A 61 -2.556 3.851 13.405 1.00 52.11 C ATOM 1023 OE1 GLU A 61 -1.679 4.241 14.209 1.00 22.43 O ATOM 1024 OE2 GLU A 61 -3.176 2.782 13.571 1.00 33.12 O ATOM 0 H GLU A 61 -0.694 6.077 10.976 1.00 4.40 H new ATOM 0 HA GLU A 61 -0.531 3.229 11.476 1.00 73.43 H new ATOM 0 HB2 GLU A 61 -2.678 4.846 10.040 1.00 22.24 H new ATOM 0 HB3 GLU A 61 -2.836 3.209 10.646 1.00 22.24 H new ATOM 0 HG2 GLU A 61 -2.485 5.720 12.337 1.00 42.11 H new ATOM 0 HG3 GLU A 61 -3.977 4.828 12.114 1.00 42.11 H new ATOM 1031 N LEU A 62 -0.456 4.492 8.377 1.00 12.42 N ATOM 1032 CA LEU A 62 -0.235 4.162 6.956 1.00 61.21 C ATOM 1033 C LEU A 62 1.235 3.825 6.630 1.00 40.24 C ATOM 1034 O LEU A 62 1.506 3.191 5.600 1.00 72.50 O ATOM 1035 CB LEU A 62 -0.840 5.248 6.009 1.00 20.12 C ATOM 1036 CG LEU A 62 -0.351 6.737 6.141 1.00 3.42 C ATOM 1037 CD1 LEU A 62 1.076 6.951 5.589 1.00 12.21 C ATOM 1038 CD2 LEU A 62 -1.345 7.701 5.460 1.00 33.13 C ATOM 0 H LEU A 62 -0.629 5.481 8.556 1.00 12.42 H new ATOM 0 HA LEU A 62 -0.783 3.239 6.764 1.00 61.21 H new ATOM 0 HB2 LEU A 62 -0.653 4.930 4.983 1.00 20.12 H new ATOM 0 HB3 LEU A 62 -1.921 5.243 6.152 1.00 20.12 H new ATOM 0 HG LEU A 62 -0.313 6.959 7.208 1.00 3.42 H new ATOM 0 HD11 LEU A 62 1.359 7.997 5.707 1.00 12.21 H new ATOM 0 HD12 LEU A 62 1.777 6.321 6.138 1.00 12.21 H new ATOM 0 HD13 LEU A 62 1.101 6.686 4.532 1.00 12.21 H new ATOM 0 HD21 LEU A 62 -0.987 8.725 5.563 1.00 33.13 H new ATOM 0 HD22 LEU A 62 -1.428 7.451 4.402 1.00 33.13 H new ATOM 0 HD23 LEU A 62 -2.323 7.609 5.933 1.00 33.13 H new ATOM 1050 N LYS A 63 2.185 4.247 7.498 1.00 73.03 N ATOM 1051 CA LYS A 63 3.599 3.843 7.354 1.00 52.34 C ATOM 1052 C LYS A 63 3.733 2.311 7.531 1.00 73.41 C ATOM 1053 O LYS A 63 4.632 1.681 6.961 1.00 11.54 O ATOM 1054 CB LYS A 63 4.538 4.572 8.354 1.00 30.23 C ATOM 1055 CG LYS A 63 4.297 4.253 9.865 1.00 12.41 C ATOM 1056 CD LYS A 63 5.600 4.211 10.716 1.00 62.43 C ATOM 1057 CE LYS A 63 6.569 3.108 10.237 1.00 60.45 C ATOM 1058 NZ LYS A 63 7.697 2.866 11.178 1.00 21.33 N ATOM 0 H LYS A 63 2.000 4.858 8.293 1.00 73.03 H new ATOM 0 HA LYS A 63 3.911 4.133 6.351 1.00 52.34 H new ATOM 0 HB2 LYS A 63 5.569 4.317 8.108 1.00 30.23 H new ATOM 0 HB3 LYS A 63 4.431 5.647 8.207 1.00 30.23 H new ATOM 0 HG2 LYS A 63 3.626 5.004 10.282 1.00 12.41 H new ATOM 0 HG3 LYS A 63 3.790 3.292 9.947 1.00 12.41 H new ATOM 0 HD2 LYS A 63 6.098 5.179 10.664 1.00 62.43 H new ATOM 0 HD3 LYS A 63 5.345 4.040 11.762 1.00 62.43 H new ATOM 0 HE2 LYS A 63 6.013 2.180 10.100 1.00 60.45 H new ATOM 0 HE3 LYS A 63 6.971 3.385 9.262 1.00 60.45 H new ATOM 0 HZ1 LYS A 63 8.232 2.029 10.871 1.00 21.33 H new ATOM 0 HZ2 LYS A 63 8.326 3.695 11.187 1.00 21.33 H new ATOM 0 HZ3 LYS A 63 7.323 2.705 12.135 1.00 21.33 H new ATOM 1072 N LYS A 64 2.815 1.726 8.336 1.00 45.31 N ATOM 1073 CA LYS A 64 2.761 0.277 8.576 1.00 62.12 C ATOM 1074 C LYS A 64 2.372 -0.483 7.299 1.00 63.21 C ATOM 1075 O LYS A 64 2.755 -1.633 7.158 1.00 2.52 O ATOM 1076 CB LYS A 64 1.767 -0.072 9.721 1.00 61.33 C ATOM 1077 CG LYS A 64 2.094 0.572 11.090 1.00 23.44 C ATOM 1078 CD LYS A 64 3.494 0.180 11.617 1.00 33.04 C ATOM 1079 CE LYS A 64 3.649 -1.330 11.895 1.00 40.42 C ATOM 1080 NZ LYS A 64 2.775 -1.811 12.997 1.00 32.45 N ATOM 0 H LYS A 64 2.095 2.250 8.833 1.00 45.31 H new ATOM 0 HA LYS A 64 3.761 -0.035 8.878 1.00 62.12 H new ATOM 0 HB2 LYS A 64 0.766 0.238 9.420 1.00 61.33 H new ATOM 0 HB3 LYS A 64 1.742 -1.155 9.843 1.00 61.33 H new ATOM 0 HG2 LYS A 64 2.035 1.657 10.999 1.00 23.44 H new ATOM 0 HG3 LYS A 64 1.340 0.272 11.817 1.00 23.44 H new ATOM 0 HD2 LYS A 64 4.246 0.486 10.889 1.00 33.04 H new ATOM 0 HD3 LYS A 64 3.695 0.732 12.535 1.00 33.04 H new ATOM 0 HE2 LYS A 64 3.418 -1.886 10.987 1.00 40.42 H new ATOM 0 HE3 LYS A 64 4.689 -1.543 12.144 1.00 40.42 H new ATOM 0 HZ1 LYS A 64 2.923 -2.831 13.137 1.00 32.45 H new ATOM 0 HZ2 LYS A 64 3.010 -1.303 13.874 1.00 32.45 H new ATOM 0 HZ3 LYS A 64 1.780 -1.636 12.752 1.00 32.45 H new ATOM 1094 N LEU A 65 1.632 0.173 6.371 1.00 41.12 N ATOM 1095 CA LEU A 65 1.137 -0.474 5.130 1.00 30.51 C ATOM 1096 C LEU A 65 2.315 -0.950 4.262 1.00 61.35 C ATOM 1097 O LEU A 65 2.414 -2.134 3.938 1.00 33.34 O ATOM 1098 CB LEU A 65 0.230 0.512 4.337 1.00 12.11 C ATOM 1099 CG LEU A 65 -1.059 0.995 5.074 1.00 41.31 C ATOM 1100 CD1 LEU A 65 -1.774 2.120 4.291 1.00 3.53 C ATOM 1101 CD2 LEU A 65 -2.005 -0.187 5.357 1.00 21.04 C ATOM 0 H LEU A 65 1.364 1.153 6.459 1.00 41.12 H new ATOM 0 HA LEU A 65 0.544 -1.347 5.403 1.00 30.51 H new ATOM 0 HB2 LEU A 65 0.823 1.387 4.071 1.00 12.11 H new ATOM 0 HB3 LEU A 65 -0.066 0.033 3.404 1.00 12.11 H new ATOM 0 HG LEU A 65 -0.756 1.416 6.033 1.00 41.31 H new ATOM 0 HD11 LEU A 65 -2.666 2.431 4.834 1.00 3.53 H new ATOM 0 HD12 LEU A 65 -1.102 2.971 4.181 1.00 3.53 H new ATOM 0 HD13 LEU A 65 -2.059 1.753 3.305 1.00 3.53 H new ATOM 0 HD21 LEU A 65 -2.896 0.175 5.871 1.00 21.04 H new ATOM 0 HD22 LEU A 65 -2.294 -0.655 4.416 1.00 21.04 H new ATOM 0 HD23 LEU A 65 -1.496 -0.918 5.985 1.00 21.04 H new ATOM 1113 N LEU A 66 3.225 -0.014 3.945 1.00 32.14 N ATOM 1114 CA LEU A 66 4.451 -0.296 3.173 1.00 2.24 C ATOM 1115 C LEU A 66 5.446 -1.138 3.997 1.00 50.54 C ATOM 1116 O LEU A 66 6.239 -1.907 3.440 1.00 30.21 O ATOM 1117 CB LEU A 66 5.101 1.036 2.739 1.00 55.11 C ATOM 1118 CG LEU A 66 5.547 1.987 3.924 1.00 63.24 C ATOM 1119 CD1 LEU A 66 7.077 1.989 4.161 1.00 2.51 C ATOM 1120 CD2 LEU A 66 5.003 3.400 3.750 1.00 61.44 C ATOM 0 H LEU A 66 3.132 0.965 4.217 1.00 32.14 H new ATOM 0 HA LEU A 66 4.183 -0.874 2.289 1.00 2.24 H new ATOM 0 HB2 LEU A 66 5.974 0.813 2.126 1.00 55.11 H new ATOM 0 HB3 LEU A 66 4.397 1.576 2.106 1.00 55.11 H new ATOM 0 HG LEU A 66 5.102 1.570 4.827 1.00 63.24 H new ATOM 0 HD11 LEU A 66 7.317 2.660 4.986 1.00 2.51 H new ATOM 0 HD12 LEU A 66 7.409 0.980 4.406 1.00 2.51 H new ATOM 0 HD13 LEU A 66 7.585 2.328 3.258 1.00 2.51 H new ATOM 0 HD21 LEU A 66 5.331 4.021 4.583 1.00 61.44 H new ATOM 0 HD22 LEU A 66 5.375 3.820 2.815 1.00 61.44 H new ATOM 0 HD23 LEU A 66 3.914 3.370 3.727 1.00 61.44 H new ATOM 1132 N GLU A 67 5.409 -0.946 5.334 1.00 61.33 N ATOM 1133 CA GLU A 67 6.202 -1.710 6.293 1.00 20.32 C ATOM 1134 C GLU A 67 5.667 -3.169 6.423 1.00 70.33 C ATOM 1135 O GLU A 67 6.311 -4.019 7.037 1.00 14.21 O ATOM 1136 CB GLU A 67 6.239 -0.931 7.640 1.00 60.31 C ATOM 1137 CG GLU A 67 7.319 -1.382 8.636 1.00 5.51 C ATOM 1138 CD GLU A 67 7.672 -0.311 9.694 1.00 0.22 C ATOM 1139 OE1 GLU A 67 7.004 -0.251 10.752 1.00 12.43 O ATOM 1140 OE2 GLU A 67 8.607 0.503 9.449 1.00 35.02 O ATOM 0 H GLU A 67 4.815 -0.243 5.773 1.00 61.33 H new ATOM 0 HA GLU A 67 7.230 -1.815 5.945 1.00 20.32 H new ATOM 0 HB2 GLU A 67 6.388 0.127 7.424 1.00 60.31 H new ATOM 0 HB3 GLU A 67 5.265 -1.024 8.120 1.00 60.31 H new ATOM 0 HG2 GLU A 67 6.979 -2.284 9.144 1.00 5.51 H new ATOM 0 HG3 GLU A 67 8.221 -1.648 8.085 1.00 5.51 H new ATOM 1147 N ARG A 68 4.443 -3.433 5.909 1.00 72.34 N ATOM 1148 CA ARG A 68 3.946 -4.813 5.691 1.00 44.24 C ATOM 1149 C ARG A 68 4.366 -5.332 4.303 1.00 33.13 C ATOM 1150 O ARG A 68 4.634 -6.524 4.148 1.00 51.53 O ATOM 1151 CB ARG A 68 2.409 -4.917 5.849 1.00 61.00 C ATOM 1152 CG ARG A 68 1.889 -4.564 7.264 1.00 74.43 C ATOM 1153 CD ARG A 68 0.457 -5.044 7.525 1.00 15.33 C ATOM 1154 NE ARG A 68 0.353 -6.521 7.464 1.00 34.13 N ATOM 1155 CZ ARG A 68 -0.536 -7.201 6.728 1.00 42.53 C ATOM 1156 NH1 ARG A 68 -1.425 -6.566 5.998 1.00 63.12 N ATOM 1157 NH2 ARG A 68 -0.537 -8.515 6.724 1.00 44.44 N ATOM 0 H ARG A 68 3.780 -2.707 5.637 1.00 72.34 H new ATOM 0 HA ARG A 68 4.401 -5.435 6.462 1.00 44.24 H new ATOM 0 HB2 ARG A 68 1.935 -4.254 5.125 1.00 61.00 H new ATOM 0 HB3 ARG A 68 2.098 -5.932 5.603 1.00 61.00 H new ATOM 0 HG2 ARG A 68 2.553 -5.005 8.007 1.00 74.43 H new ATOM 0 HG3 ARG A 68 1.932 -3.483 7.399 1.00 74.43 H new ATOM 0 HD2 ARG A 68 0.130 -4.697 8.505 1.00 15.33 H new ATOM 0 HD3 ARG A 68 -0.215 -4.601 6.789 1.00 15.33 H new ATOM 0 HE ARG A 68 1.010 -7.062 8.026 1.00 34.13 H new ATOM 0 HH11 ARG A 68 -1.442 -5.546 5.988 1.00 63.12 H new ATOM 0 HH12 ARG A 68 -2.098 -7.093 5.441 1.00 63.12 H new ATOM 0 HH21 ARG A 68 0.144 -9.027 7.285 1.00 44.44 H new ATOM 0 HH22 ARG A 68 -1.218 -9.023 6.160 1.00 44.44 H new ATOM 1171 N ILE A 69 4.401 -4.425 3.299 1.00 54.25 N ATOM 1172 CA ILE A 69 4.773 -4.768 1.902 1.00 44.34 C ATOM 1173 C ILE A 69 6.237 -5.260 1.827 1.00 21.23 C ATOM 1174 O ILE A 69 6.538 -6.204 1.071 1.00 71.32 O ATOM 1175 CB ILE A 69 4.536 -3.551 0.922 1.00 12.41 C ATOM 1176 CG1 ILE A 69 3.031 -3.131 0.948 1.00 64.22 C ATOM 1177 CG2 ILE A 69 5.001 -3.873 -0.530 1.00 11.40 C ATOM 1178 CD1 ILE A 69 2.696 -1.881 0.159 1.00 61.43 C ATOM 0 H ILE A 69 4.174 -3.439 3.431 1.00 54.25 H new ATOM 0 HA ILE A 69 4.123 -5.581 1.579 1.00 44.34 H new ATOM 0 HB ILE A 69 5.143 -2.716 1.270 1.00 12.41 H new ATOM 0 HG12 ILE A 69 2.433 -3.956 0.561 1.00 64.22 H new ATOM 0 HG13 ILE A 69 2.731 -2.978 1.985 1.00 64.22 H new ATOM 0 HG21 ILE A 69 4.820 -3.009 -1.170 1.00 11.40 H new ATOM 0 HG22 ILE A 69 6.066 -4.106 -0.528 1.00 11.40 H new ATOM 0 HG23 ILE A 69 4.443 -4.729 -0.909 1.00 11.40 H new ATOM 0 HD11 ILE A 69 1.629 -1.675 0.240 1.00 61.43 H new ATOM 0 HD12 ILE A 69 3.260 -1.037 0.557 1.00 61.43 H new ATOM 0 HD13 ILE A 69 2.958 -2.031 -0.888 1.00 61.43 H new ATOM 1190 N ARG A 70 7.126 -4.644 2.658 1.00 14.03 N ATOM 1191 CA ARG A 70 8.544 -5.064 2.786 1.00 10.35 C ATOM 1192 C ARG A 70 8.615 -6.567 3.143 1.00 54.21 C ATOM 1193 O ARG A 70 9.404 -7.302 2.573 1.00 72.15 O ATOM 1194 CB ARG A 70 9.328 -4.245 3.874 1.00 71.21 C ATOM 1195 CG ARG A 70 8.847 -4.525 5.317 1.00 25.10 C ATOM 1196 CD ARG A 70 9.700 -3.955 6.451 1.00 23.01 C ATOM 1197 NE ARG A 70 9.112 -4.347 7.754 1.00 14.22 N ATOM 1198 CZ ARG A 70 9.653 -4.154 8.965 1.00 70.01 C ATOM 1199 NH1 ARG A 70 10.825 -3.559 9.116 1.00 52.50 N ATOM 1200 NH2 ARG A 70 9.001 -4.558 10.033 1.00 52.51 N ATOM 0 H ARG A 70 6.879 -3.851 3.250 1.00 14.03 H new ATOM 0 HA ARG A 70 9.016 -4.871 1.823 1.00 10.35 H new ATOM 0 HB2 ARG A 70 10.390 -4.480 3.801 1.00 71.21 H new ATOM 0 HB3 ARG A 70 9.222 -3.181 3.664 1.00 71.21 H new ATOM 0 HG2 ARG A 70 7.836 -4.130 5.421 1.00 25.10 H new ATOM 0 HG3 ARG A 70 8.783 -5.605 5.450 1.00 25.10 H new ATOM 0 HD2 ARG A 70 10.722 -4.326 6.374 1.00 23.01 H new ATOM 0 HD3 ARG A 70 9.749 -2.869 6.374 1.00 23.01 H new ATOM 0 HE ARG A 70 8.204 -4.811 7.726 1.00 14.22 H new ATOM 0 HH11 ARG A 70 11.341 -3.234 8.298 1.00 52.50 H new ATOM 0 HH12 ARG A 70 11.213 -3.425 10.050 1.00 52.50 H new ATOM 0 HH21 ARG A 70 8.093 -5.013 9.935 1.00 52.51 H new ATOM 0 HH22 ARG A 70 9.403 -4.417 10.960 1.00 52.51 H new ATOM 1214 N GLU A 71 7.715 -7.001 4.054 1.00 1.31 N ATOM 1215 CA GLU A 71 7.687 -8.365 4.598 1.00 65.45 C ATOM 1216 C GLU A 71 7.317 -9.360 3.489 1.00 71.15 C ATOM 1217 O GLU A 71 7.798 -10.500 3.482 1.00 14.24 O ATOM 1218 CB GLU A 71 6.668 -8.449 5.767 1.00 2.04 C ATOM 1219 CG GLU A 71 6.939 -7.483 6.940 1.00 14.11 C ATOM 1220 CD GLU A 71 5.863 -7.546 8.041 1.00 65.44 C ATOM 1221 OE1 GLU A 71 5.685 -8.626 8.641 1.00 24.22 O ATOM 1222 OE2 GLU A 71 5.191 -6.526 8.314 1.00 54.03 O ATOM 0 H GLU A 71 6.982 -6.402 4.432 1.00 1.31 H new ATOM 0 HA GLU A 71 8.675 -8.620 4.981 1.00 65.45 H new ATOM 0 HB2 GLU A 71 5.671 -8.249 5.375 1.00 2.04 H new ATOM 0 HB3 GLU A 71 6.661 -9.469 6.151 1.00 2.04 H new ATOM 0 HG2 GLU A 71 7.910 -7.716 7.377 1.00 14.11 H new ATOM 0 HG3 GLU A 71 6.998 -6.464 6.557 1.00 14.11 H new ATOM 1229 N LYS A 72 6.500 -8.879 2.521 1.00 33.31 N ATOM 1230 CA LYS A 72 6.000 -9.702 1.414 1.00 50.44 C ATOM 1231 C LYS A 72 7.133 -9.925 0.399 1.00 20.13 C ATOM 1232 O LYS A 72 7.346 -11.041 -0.071 1.00 33.42 O ATOM 1233 CB LYS A 72 4.769 -9.027 0.732 1.00 22.34 C ATOM 1234 CG LYS A 72 3.704 -8.464 1.704 1.00 31.44 C ATOM 1235 CD LYS A 72 3.100 -9.515 2.670 1.00 53.02 C ATOM 1236 CE LYS A 72 2.081 -8.885 3.638 1.00 45.03 C ATOM 1237 NZ LYS A 72 1.484 -9.888 4.559 1.00 53.30 N ATOM 0 H LYS A 72 6.175 -7.912 2.493 1.00 33.31 H new ATOM 0 HA LYS A 72 5.672 -10.666 1.803 1.00 50.44 H new ATOM 0 HB2 LYS A 72 5.125 -8.215 0.098 1.00 22.34 H new ATOM 0 HB3 LYS A 72 4.291 -9.756 0.078 1.00 22.34 H new ATOM 0 HG2 LYS A 72 4.153 -7.664 2.292 1.00 31.44 H new ATOM 0 HG3 LYS A 72 2.898 -8.018 1.122 1.00 31.44 H new ATOM 0 HD2 LYS A 72 2.614 -10.302 2.093 1.00 53.02 H new ATOM 0 HD3 LYS A 72 3.900 -9.986 3.241 1.00 53.02 H new ATOM 0 HE2 LYS A 72 2.571 -8.106 4.221 1.00 45.03 H new ATOM 0 HE3 LYS A 72 1.288 -8.404 3.065 1.00 45.03 H new ATOM 0 HZ1 LYS A 72 0.453 -9.915 4.422 1.00 53.30 H new ATOM 0 HZ2 LYS A 72 1.884 -10.826 4.357 1.00 53.30 H new ATOM 0 HZ3 LYS A 72 1.696 -9.626 5.543 1.00 53.30 H new ATOM 1251 N ILE A 73 7.885 -8.848 0.098 1.00 34.23 N ATOM 1252 CA ILE A 73 8.993 -8.900 -0.870 1.00 61.13 C ATOM 1253 C ILE A 73 10.257 -9.550 -0.251 1.00 14.41 C ATOM 1254 O ILE A 73 11.164 -9.952 -0.980 1.00 45.01 O ATOM 1255 CB ILE A 73 9.290 -7.474 -1.507 1.00 4.34 C ATOM 1256 CG1 ILE A 73 9.782 -6.405 -0.456 1.00 22.41 C ATOM 1257 CG2 ILE A 73 8.039 -6.958 -2.268 1.00 75.52 C ATOM 1258 CD1 ILE A 73 11.275 -6.400 -0.174 1.00 13.34 C ATOM 0 H ILE A 73 7.742 -7.928 0.515 1.00 34.23 H new ATOM 0 HA ILE A 73 8.680 -9.543 -1.693 1.00 61.13 H new ATOM 0 HB ILE A 73 10.115 -7.611 -2.206 1.00 4.34 H new ATOM 0 HG12 ILE A 73 9.494 -5.415 -0.810 1.00 22.41 H new ATOM 0 HG13 ILE A 73 9.254 -6.575 0.482 1.00 22.41 H new ATOM 0 HG21 ILE A 73 8.254 -5.981 -2.700 1.00 75.52 H new ATOM 0 HG22 ILE A 73 7.782 -7.658 -3.063 1.00 75.52 H new ATOM 0 HG23 ILE A 73 7.202 -6.873 -1.576 1.00 75.52 H new ATOM 0 HD11 ILE A 73 11.504 -5.628 0.561 1.00 13.34 H new ATOM 0 HD12 ILE A 73 11.575 -7.373 0.216 1.00 13.34 H new ATOM 0 HD13 ILE A 73 11.819 -6.195 -1.096 1.00 13.34 H new ATOM 1270 N GLU A 74 10.328 -9.600 1.100 1.00 13.14 N ATOM 1271 CA GLU A 74 11.404 -10.318 1.819 1.00 22.35 C ATOM 1272 C GLU A 74 11.200 -11.833 1.698 1.00 12.41 C ATOM 1273 O GLU A 74 12.120 -12.560 1.302 1.00 60.14 O ATOM 1274 CB GLU A 74 11.471 -9.912 3.325 1.00 71.42 C ATOM 1275 CG GLU A 74 12.047 -8.508 3.610 1.00 34.30 C ATOM 1276 CD GLU A 74 13.485 -8.309 3.088 1.00 61.34 C ATOM 1277 OE1 GLU A 74 13.709 -7.456 2.199 1.00 34.51 O ATOM 1278 OE2 GLU A 74 14.398 -9.024 3.556 1.00 43.02 O ATOM 0 H GLU A 74 9.650 -9.150 1.715 1.00 13.14 H new ATOM 0 HA GLU A 74 12.350 -10.037 1.356 1.00 22.35 H new ATOM 0 HB2 GLU A 74 10.466 -9.965 3.743 1.00 71.42 H new ATOM 0 HB3 GLU A 74 12.075 -10.648 3.855 1.00 71.42 H new ATOM 0 HG2 GLU A 74 11.398 -7.760 3.155 1.00 34.30 H new ATOM 0 HG3 GLU A 74 12.033 -8.331 4.685 1.00 34.30 H new ATOM 1285 N ARG A 75 9.980 -12.301 2.038 1.00 23.43 N ATOM 1286 CA ARG A 75 9.667 -13.740 2.059 1.00 14.03 C ATOM 1287 C ARG A 75 9.629 -14.343 0.640 1.00 24.14 C ATOM 1288 O ARG A 75 10.032 -15.492 0.446 1.00 40.31 O ATOM 1289 CB ARG A 75 8.333 -14.010 2.802 1.00 72.43 C ATOM 1290 CG ARG A 75 7.084 -13.340 2.179 1.00 23.33 C ATOM 1291 CD ARG A 75 5.775 -13.798 2.826 1.00 71.34 C ATOM 1292 NE ARG A 75 5.595 -15.250 2.670 1.00 1.23 N ATOM 1293 CZ ARG A 75 4.822 -16.022 3.434 1.00 64.23 C ATOM 1294 NH1 ARG A 75 4.117 -15.510 4.429 1.00 12.25 N ATOM 1295 NH2 ARG A 75 4.756 -17.318 3.194 1.00 33.13 N ATOM 0 H ARG A 75 9.198 -11.701 2.301 1.00 23.43 H new ATOM 0 HA ARG A 75 10.472 -14.233 2.604 1.00 14.03 H new ATOM 0 HB2 ARG A 75 8.168 -15.087 2.839 1.00 72.43 H new ATOM 0 HB3 ARG A 75 8.434 -13.668 3.832 1.00 72.43 H new ATOM 0 HG2 ARG A 75 7.172 -12.258 2.277 1.00 23.33 H new ATOM 0 HG3 ARG A 75 7.053 -13.562 1.112 1.00 23.33 H new ATOM 0 HD2 ARG A 75 5.777 -13.539 3.885 1.00 71.34 H new ATOM 0 HD3 ARG A 75 4.936 -13.272 2.371 1.00 71.34 H new ATOM 0 HE ARG A 75 6.105 -15.705 1.913 1.00 1.23 H new ATOM 0 HH11 ARG A 75 4.159 -14.509 4.622 1.00 12.25 H new ATOM 0 HH12 ARG A 75 3.531 -16.116 5.003 1.00 12.25 H new ATOM 0 HH21 ARG A 75 5.294 -17.723 2.428 1.00 33.13 H new ATOM 0 HH22 ARG A 75 4.167 -17.915 3.774 1.00 33.13 H new ATOM 1309 N GLU A 76 9.141 -13.563 -0.341 1.00 14.12 N ATOM 1310 CA GLU A 76 8.996 -14.028 -1.731 1.00 74.35 C ATOM 1311 C GLU A 76 10.223 -13.631 -2.564 1.00 33.33 C ATOM 1312 O GLU A 76 10.909 -14.491 -3.124 1.00 32.34 O ATOM 1313 CB GLU A 76 7.709 -13.440 -2.361 1.00 53.54 C ATOM 1314 CG GLU A 76 6.399 -13.742 -1.599 1.00 20.03 C ATOM 1315 CD GLU A 76 6.124 -15.244 -1.419 1.00 74.34 C ATOM 1316 OE1 GLU A 76 6.113 -15.727 -0.265 1.00 32.51 O ATOM 1317 OE2 GLU A 76 5.927 -15.952 -2.432 1.00 42.41 O ATOM 0 H GLU A 76 8.838 -12.600 -0.194 1.00 14.12 H new ATOM 0 HA GLU A 76 8.920 -15.115 -1.725 1.00 74.35 H new ATOM 0 HB2 GLU A 76 7.824 -12.359 -2.437 1.00 53.54 H new ATOM 0 HB3 GLU A 76 7.615 -13.823 -3.377 1.00 53.54 H new ATOM 0 HG2 GLU A 76 6.442 -13.269 -0.618 1.00 20.03 H new ATOM 0 HG3 GLU A 76 5.564 -13.290 -2.135 1.00 20.03 H new ATOM 1324 N GLY A 77 10.487 -12.308 -2.640 1.00 64.34 N ATOM 1325 CA GLY A 77 11.595 -11.767 -3.441 1.00 51.04 C ATOM 1326 C GLY A 77 11.458 -12.033 -4.933 1.00 71.52 C ATOM 1327 O GLY A 77 12.454 -12.047 -5.658 1.00 45.11 O ATOM 0 H GLY A 77 9.942 -11.597 -2.152 1.00 64.34 H new ATOM 0 HA2 GLY A 77 11.659 -10.691 -3.277 1.00 51.04 H new ATOM 0 HA3 GLY A 77 12.531 -12.199 -3.088 1.00 51.04 H new ATOM 1331 N SER A 78 10.212 -12.212 -5.384 1.00 12.11 N ATOM 1332 CA SER A 78 9.898 -12.629 -6.756 1.00 5.13 C ATOM 1333 C SER A 78 9.516 -11.422 -7.630 1.00 51.32 C ATOM 1334 O SER A 78 9.005 -10.418 -7.125 1.00 54.43 O ATOM 1335 CB SER A 78 8.745 -13.650 -6.708 1.00 50.35 C ATOM 1336 OG SER A 78 9.074 -14.751 -5.873 1.00 24.51 O ATOM 0 H SER A 78 9.386 -12.071 -4.803 1.00 12.11 H new ATOM 0 HA SER A 78 10.780 -13.087 -7.204 1.00 5.13 H new ATOM 0 HB2 SER A 78 7.841 -13.166 -6.338 1.00 50.35 H new ATOM 0 HB3 SER A 78 8.527 -14.005 -7.715 1.00 50.35 H new ATOM 0 HG SER A 78 8.911 -15.588 -6.356 1.00 24.51 H new ATOM 1342 N SER A 79 9.771 -11.554 -8.948 1.00 3.12 N ATOM 1343 CA SER A 79 9.424 -10.540 -9.964 1.00 23.43 C ATOM 1344 C SER A 79 7.897 -10.426 -10.129 1.00 31.15 C ATOM 1345 O SER A 79 7.395 -9.370 -10.516 1.00 13.44 O ATOM 1346 CB SER A 79 10.093 -10.895 -11.317 1.00 74.51 C ATOM 1347 OG SER A 79 9.889 -9.888 -12.300 1.00 34.32 O ATOM 0 H SER A 79 10.229 -12.377 -9.341 1.00 3.12 H new ATOM 0 HA SER A 79 9.798 -9.573 -9.629 1.00 23.43 H new ATOM 0 HB2 SER A 79 11.163 -11.039 -11.164 1.00 74.51 H new ATOM 0 HB3 SER A 79 9.692 -11.841 -11.681 1.00 74.51 H new ATOM 0 HG SER A 79 10.328 -10.152 -13.135 1.00 34.32 H new ATOM 1353 N GLU A 80 7.177 -11.528 -9.825 1.00 42.23 N ATOM 1354 CA GLU A 80 5.712 -11.575 -9.873 1.00 54.34 C ATOM 1355 C GLU A 80 5.146 -10.832 -8.649 1.00 11.10 C ATOM 1356 O GLU A 80 4.763 -11.455 -7.670 1.00 31.24 O ATOM 1357 CB GLU A 80 5.217 -13.056 -9.881 1.00 51.33 C ATOM 1358 CG GLU A 80 3.709 -13.239 -10.173 1.00 60.00 C ATOM 1359 CD GLU A 80 3.243 -12.643 -11.513 1.00 3.52 C ATOM 1360 OE1 GLU A 80 3.423 -13.299 -12.561 1.00 53.32 O ATOM 1361 OE2 GLU A 80 2.695 -11.514 -11.528 1.00 75.30 O ATOM 0 H GLU A 80 7.604 -12.409 -9.539 1.00 42.23 H new ATOM 0 HA GLU A 80 5.363 -11.093 -10.786 1.00 54.34 H new ATOM 0 HB2 GLU A 80 5.786 -13.610 -10.628 1.00 51.33 H new ATOM 0 HB3 GLU A 80 5.441 -13.504 -8.913 1.00 51.33 H new ATOM 0 HG2 GLU A 80 3.476 -14.304 -10.163 1.00 60.00 H new ATOM 0 HG3 GLU A 80 3.137 -12.780 -9.367 1.00 60.00 H new ATOM 1368 N VAL A 81 5.162 -9.496 -8.698 1.00 52.45 N ATOM 1369 CA VAL A 81 4.718 -8.633 -7.587 1.00 62.12 C ATOM 1370 C VAL A 81 3.839 -7.497 -8.134 1.00 3.21 C ATOM 1371 O VAL A 81 4.161 -6.876 -9.153 1.00 41.43 O ATOM 1372 CB VAL A 81 5.947 -8.065 -6.773 1.00 42.32 C ATOM 1373 CG1 VAL A 81 6.983 -7.397 -7.704 1.00 0.43 C ATOM 1374 CG2 VAL A 81 5.499 -7.096 -5.643 1.00 24.13 C ATOM 0 H VAL A 81 5.485 -8.975 -9.513 1.00 52.45 H new ATOM 0 HA VAL A 81 4.127 -9.232 -6.895 1.00 62.12 H new ATOM 0 HB VAL A 81 6.431 -8.917 -6.295 1.00 42.32 H new ATOM 0 HG11 VAL A 81 7.815 -7.018 -7.110 1.00 0.43 H new ATOM 0 HG12 VAL A 81 7.354 -8.130 -8.421 1.00 0.43 H new ATOM 0 HG13 VAL A 81 6.513 -6.572 -8.239 1.00 0.43 H new ATOM 0 HG21 VAL A 81 6.376 -6.729 -5.109 1.00 24.13 H new ATOM 0 HG22 VAL A 81 4.961 -6.254 -6.078 1.00 24.13 H new ATOM 0 HG23 VAL A 81 4.846 -7.624 -4.948 1.00 24.13 H new ATOM 1384 N GLU A 82 2.713 -7.267 -7.455 1.00 11.03 N ATOM 1385 CA GLU A 82 1.741 -6.237 -7.793 1.00 75.30 C ATOM 1386 C GLU A 82 1.278 -5.577 -6.491 1.00 42.23 C ATOM 1387 O GLU A 82 0.642 -6.231 -5.662 1.00 42.43 O ATOM 1388 CB GLU A 82 0.530 -6.865 -8.531 1.00 22.12 C ATOM 1389 CG GLU A 82 -0.532 -5.839 -8.989 1.00 2.33 C ATOM 1390 CD GLU A 82 -1.832 -6.499 -9.456 1.00 72.31 C ATOM 1391 OE1 GLU A 82 -1.868 -7.041 -10.580 1.00 2.15 O ATOM 1392 OE2 GLU A 82 -2.826 -6.491 -8.698 1.00 73.10 O ATOM 0 H GLU A 82 2.449 -7.810 -6.633 1.00 11.03 H new ATOM 0 HA GLU A 82 2.193 -5.496 -8.453 1.00 75.30 H new ATOM 0 HB2 GLU A 82 0.892 -7.410 -9.403 1.00 22.12 H new ATOM 0 HB3 GLU A 82 0.056 -7.594 -7.874 1.00 22.12 H new ATOM 0 HG2 GLU A 82 -0.751 -5.158 -8.167 1.00 2.33 H new ATOM 0 HG3 GLU A 82 -0.123 -5.238 -9.801 1.00 2.33 H new ATOM 1399 N VAL A 83 1.633 -4.305 -6.297 1.00 40.35 N ATOM 1400 CA VAL A 83 1.101 -3.483 -5.201 1.00 10.14 C ATOM 1401 C VAL A 83 0.000 -2.619 -5.785 1.00 55.31 C ATOM 1402 O VAL A 83 0.192 -1.968 -6.801 1.00 71.52 O ATOM 1403 CB VAL A 83 2.204 -2.586 -4.523 1.00 55.31 C ATOM 1404 CG1 VAL A 83 1.605 -1.720 -3.380 1.00 24.52 C ATOM 1405 CG2 VAL A 83 3.381 -3.455 -4.012 1.00 44.22 C ATOM 0 H VAL A 83 2.298 -3.813 -6.894 1.00 40.35 H new ATOM 0 HA VAL A 83 0.723 -4.135 -4.414 1.00 10.14 H new ATOM 0 HB VAL A 83 2.593 -1.904 -5.279 1.00 55.31 H new ATOM 0 HG11 VAL A 83 2.392 -1.113 -2.933 1.00 24.52 H new ATOM 0 HG12 VAL A 83 0.830 -1.069 -3.785 1.00 24.52 H new ATOM 0 HG13 VAL A 83 1.172 -2.370 -2.620 1.00 24.52 H new ATOM 0 HG21 VAL A 83 4.131 -2.815 -3.547 1.00 44.22 H new ATOM 0 HG22 VAL A 83 3.012 -4.173 -3.279 1.00 44.22 H new ATOM 0 HG23 VAL A 83 3.829 -3.990 -4.850 1.00 44.22 H new ATOM 1415 N ASN A 84 -1.147 -2.615 -5.132 1.00 11.51 N ATOM 1416 CA ASN A 84 -2.392 -2.180 -5.735 1.00 20.03 C ATOM 1417 C ASN A 84 -3.154 -1.343 -4.711 1.00 13.54 C ATOM 1418 O ASN A 84 -3.725 -1.875 -3.764 1.00 4.32 O ATOM 1419 CB ASN A 84 -3.147 -3.469 -6.140 1.00 55.43 C ATOM 1420 CG ASN A 84 -4.364 -3.265 -7.017 1.00 34.51 C ATOM 1421 OD1 ASN A 84 -5.035 -2.244 -6.979 1.00 61.03 O ATOM 1422 ND2 ASN A 84 -4.647 -4.276 -7.804 1.00 40.13 N ATOM 0 H ASN A 84 -1.241 -2.916 -4.162 1.00 11.51 H new ATOM 0 HA ASN A 84 -2.255 -1.555 -6.617 1.00 20.03 H new ATOM 0 HB2 ASN A 84 -2.452 -4.127 -6.661 1.00 55.43 H new ATOM 0 HB3 ASN A 84 -3.458 -3.987 -5.233 1.00 55.43 H new ATOM 0 HD21 ASN A 84 -5.458 -4.231 -8.421 1.00 40.13 H new ATOM 0 HD22 ASN A 84 -4.056 -5.107 -7.799 1.00 40.13 H new ATOM 1429 N VAL A 85 -3.163 -0.024 -4.917 1.00 70.41 N ATOM 1430 CA VAL A 85 -3.768 0.924 -3.982 1.00 14.15 C ATOM 1431 C VAL A 85 -5.121 1.370 -4.535 1.00 54.43 C ATOM 1432 O VAL A 85 -5.211 1.842 -5.667 1.00 50.40 O ATOM 1433 CB VAL A 85 -2.837 2.161 -3.737 1.00 21.43 C ATOM 1434 CG1 VAL A 85 -3.442 3.130 -2.686 1.00 12.42 C ATOM 1435 CG2 VAL A 85 -1.411 1.709 -3.325 1.00 71.42 C ATOM 0 H VAL A 85 -2.750 0.416 -5.739 1.00 70.41 H new ATOM 0 HA VAL A 85 -3.907 0.431 -3.020 1.00 14.15 H new ATOM 0 HB VAL A 85 -2.760 2.707 -4.677 1.00 21.43 H new ATOM 0 HG11 VAL A 85 -2.770 3.976 -2.541 1.00 12.42 H new ATOM 0 HG12 VAL A 85 -4.409 3.491 -3.038 1.00 12.42 H new ATOM 0 HG13 VAL A 85 -3.573 2.605 -1.740 1.00 12.42 H new ATOM 0 HG21 VAL A 85 -0.785 2.586 -3.161 1.00 71.42 H new ATOM 0 HG22 VAL A 85 -1.466 1.125 -2.406 1.00 71.42 H new ATOM 0 HG23 VAL A 85 -0.980 1.098 -4.118 1.00 71.42 H new ATOM 1445 N HIS A 86 -6.168 1.167 -3.734 1.00 34.22 N ATOM 1446 CA HIS A 86 -7.538 1.579 -4.053 1.00 71.14 C ATOM 1447 C HIS A 86 -7.913 2.738 -3.120 1.00 45.42 C ATOM 1448 O HIS A 86 -7.436 2.775 -1.991 1.00 41.14 O ATOM 1449 CB HIS A 86 -8.514 0.393 -3.870 1.00 10.24 C ATOM 1450 CG HIS A 86 -8.117 -0.869 -4.603 1.00 65.30 C ATOM 1451 ND1 HIS A 86 -8.529 -1.156 -5.882 1.00 20.24 N ATOM 1452 CD2 HIS A 86 -7.350 -1.923 -4.218 1.00 63.32 C ATOM 1453 CE1 HIS A 86 -8.046 -2.324 -6.245 1.00 24.22 C ATOM 1454 NE2 HIS A 86 -7.323 -2.812 -5.257 1.00 12.54 N ATOM 0 H HIS A 86 -6.087 0.703 -2.829 1.00 34.22 H new ATOM 0 HA HIS A 86 -7.603 1.901 -5.092 1.00 71.14 H new ATOM 0 HB2 HIS A 86 -8.597 0.169 -2.807 1.00 10.24 H new ATOM 0 HB3 HIS A 86 -9.504 0.698 -4.210 1.00 10.24 H new ATOM 0 HD2 HIS A 86 -6.853 -2.038 -3.266 1.00 63.32 H new ATOM 0 HE1 HIS A 86 -8.214 -2.805 -7.197 1.00 24.22 H new ATOM 0 HE2 HIS A 86 -6.827 -3.703 -5.266 1.00 12.54 H new ATOM 1463 N SER A 87 -8.737 3.683 -3.597 1.00 12.11 N ATOM 1464 CA SER A 87 -9.246 4.793 -2.768 1.00 42.02 C ATOM 1465 C SER A 87 -10.538 5.338 -3.395 1.00 73.35 C ATOM 1466 O SER A 87 -10.495 6.049 -4.406 1.00 31.51 O ATOM 1467 CB SER A 87 -8.179 5.908 -2.625 1.00 64.14 C ATOM 1468 OG SER A 87 -7.817 6.443 -3.884 1.00 0.13 O ATOM 0 H SER A 87 -9.069 3.702 -4.561 1.00 12.11 H new ATOM 0 HA SER A 87 -9.465 4.425 -1.766 1.00 42.02 H new ATOM 0 HB2 SER A 87 -8.565 6.703 -1.988 1.00 64.14 H new ATOM 0 HB3 SER A 87 -7.294 5.506 -2.131 1.00 64.14 H new ATOM 0 HG SER A 87 -7.769 5.721 -4.545 1.00 0.13 H new ATOM 1474 N GLY A 88 -11.688 4.979 -2.796 1.00 71.40 N ATOM 1475 CA GLY A 88 -13.006 5.377 -3.308 1.00 72.31 C ATOM 1476 C GLY A 88 -13.270 4.889 -4.740 1.00 44.10 C ATOM 1477 O GLY A 88 -13.940 5.575 -5.518 1.00 40.11 O ATOM 0 H GLY A 88 -11.727 4.410 -1.951 1.00 71.40 H new ATOM 0 HA2 GLY A 88 -13.779 4.983 -2.648 1.00 72.31 H new ATOM 0 HA3 GLY A 88 -13.087 6.464 -3.280 1.00 72.31 H new ATOM 1481 N GLY A 89 -12.723 3.701 -5.074 1.00 43.44 N ATOM 1482 CA GLY A 89 -12.878 3.099 -6.405 1.00 52.54 C ATOM 1483 C GLY A 89 -11.660 3.301 -7.302 1.00 1.42 C ATOM 1484 O GLY A 89 -11.504 2.589 -8.300 1.00 44.44 O ATOM 0 H GLY A 89 -12.166 3.139 -4.430 1.00 43.44 H new ATOM 0 HA2 GLY A 89 -13.066 2.031 -6.294 1.00 52.54 H new ATOM 0 HA3 GLY A 89 -13.754 3.528 -6.891 1.00 52.54 H new ATOM 1488 N GLN A 90 -10.795 4.272 -6.951 1.00 73.42 N ATOM 1489 CA GLN A 90 -9.622 4.641 -7.772 1.00 34.33 C ATOM 1490 C GLN A 90 -8.464 3.660 -7.524 1.00 11.42 C ATOM 1491 O GLN A 90 -8.002 3.540 -6.397 1.00 61.04 O ATOM 1492 CB GLN A 90 -9.184 6.084 -7.428 1.00 73.04 C ATOM 1493 CG GLN A 90 -10.287 7.143 -7.623 1.00 61.40 C ATOM 1494 CD GLN A 90 -9.898 8.549 -7.143 1.00 54.15 C ATOM 1495 OE1 GLN A 90 -10.316 9.554 -7.730 1.00 23.42 O ATOM 1496 NE2 GLN A 90 -9.139 8.642 -6.051 1.00 71.41 N ATOM 0 H GLN A 90 -10.887 4.821 -6.096 1.00 73.42 H new ATOM 0 HA GLN A 90 -9.895 4.590 -8.826 1.00 34.33 H new ATOM 0 HB2 GLN A 90 -8.848 6.112 -6.391 1.00 73.04 H new ATOM 0 HB3 GLN A 90 -8.328 6.349 -8.048 1.00 73.04 H new ATOM 0 HG2 GLN A 90 -10.547 7.191 -8.680 1.00 61.40 H new ATOM 0 HG3 GLN A 90 -11.182 6.823 -7.089 1.00 61.40 H new ATOM 0 HE21 GLN A 90 -8.808 7.796 -5.587 1.00 71.41 H new ATOM 0 HE22 GLN A 90 -8.889 9.559 -5.680 1.00 71.41 H new ATOM 1505 N THR A 91 -7.980 3.009 -8.591 1.00 54.33 N ATOM 1506 CA THR A 91 -6.996 1.917 -8.504 1.00 23.13 C ATOM 1507 C THR A 91 -5.672 2.306 -9.206 1.00 70.33 C ATOM 1508 O THR A 91 -5.688 2.945 -10.270 1.00 65.04 O ATOM 1509 CB THR A 91 -7.607 0.633 -9.145 1.00 2.22 C ATOM 1510 OG1 THR A 91 -8.829 0.292 -8.456 1.00 64.21 O ATOM 1511 CG2 THR A 91 -6.652 -0.571 -9.105 1.00 40.12 C ATOM 0 H THR A 91 -8.262 3.226 -9.547 1.00 54.33 H new ATOM 0 HA THR A 91 -6.764 1.725 -7.457 1.00 23.13 H new ATOM 0 HB THR A 91 -7.798 0.858 -10.194 1.00 2.22 H new ATOM 0 HG1 THR A 91 -8.615 -0.195 -7.633 1.00 64.21 H new ATOM 0 HG21 THR A 91 -7.134 -1.433 -9.566 1.00 40.12 H new ATOM 0 HG22 THR A 91 -5.740 -0.330 -9.651 1.00 40.12 H new ATOM 0 HG23 THR A 91 -6.404 -0.804 -8.070 1.00 40.12 H new ATOM 1519 N TRP A 92 -4.531 1.935 -8.575 1.00 31.31 N ATOM 1520 CA TRP A 92 -3.164 2.124 -9.118 1.00 12.40 C ATOM 1521 C TRP A 92 -2.358 0.828 -8.889 1.00 12.53 C ATOM 1522 O TRP A 92 -2.257 0.370 -7.750 1.00 43.05 O ATOM 1523 CB TRP A 92 -2.439 3.299 -8.402 1.00 15.13 C ATOM 1524 CG TRP A 92 -3.109 4.650 -8.554 1.00 65.53 C ATOM 1525 CD1 TRP A 92 -2.965 5.529 -9.590 1.00 71.11 C ATOM 1526 CD2 TRP A 92 -4.021 5.274 -7.635 1.00 1.50 C ATOM 1527 NE1 TRP A 92 -3.730 6.649 -9.373 1.00 31.52 N ATOM 1528 CE2 TRP A 92 -4.386 6.517 -8.182 1.00 22.14 C ATOM 1529 CE3 TRP A 92 -4.561 4.897 -6.408 1.00 20.43 C ATOM 1530 CZ2 TRP A 92 -5.265 7.384 -7.544 1.00 3.32 C ATOM 1531 CZ3 TRP A 92 -5.432 5.754 -5.776 1.00 21.35 C ATOM 1532 CH2 TRP A 92 -5.779 6.986 -6.343 1.00 11.03 C ATOM 0 H TRP A 92 -4.536 1.488 -7.658 1.00 31.31 H new ATOM 0 HA TRP A 92 -3.237 2.355 -10.181 1.00 12.40 H new ATOM 0 HB2 TRP A 92 -2.361 3.066 -7.340 1.00 15.13 H new ATOM 0 HB3 TRP A 92 -1.422 3.369 -8.788 1.00 15.13 H new ATOM 0 HD1 TRP A 92 -2.339 5.367 -10.455 1.00 71.11 H new ATOM 0 HE1 TRP A 92 -3.797 7.450 -10.000 1.00 31.52 H new ATOM 0 HE3 TRP A 92 -4.301 3.949 -5.961 1.00 20.43 H new ATOM 0 HZ2 TRP A 92 -5.531 8.335 -7.981 1.00 3.32 H new ATOM 0 HZ3 TRP A 92 -5.856 5.471 -4.824 1.00 21.35 H new ATOM 0 HH2 TRP A 92 -6.467 7.634 -5.820 1.00 11.03 H new ATOM 1543 N THR A 93 -1.797 0.238 -9.964 1.00 21.13 N ATOM 1544 CA THR A 93 -0.977 -0.994 -9.874 1.00 2.41 C ATOM 1545 C THR A 93 0.514 -0.691 -10.150 1.00 12.25 C ATOM 1546 O THR A 93 0.891 -0.300 -11.257 1.00 10.50 O ATOM 1547 CB THR A 93 -1.498 -2.099 -10.853 1.00 73.31 C ATOM 1548 OG1 THR A 93 -1.614 -1.568 -12.188 1.00 3.34 O ATOM 1549 CG2 THR A 93 -2.860 -2.660 -10.407 1.00 4.34 C ATOM 0 H THR A 93 -1.897 0.596 -10.914 1.00 21.13 H new ATOM 0 HA THR A 93 -1.069 -1.372 -8.856 1.00 2.41 H new ATOM 0 HB THR A 93 -0.773 -2.913 -10.840 1.00 73.31 H new ATOM 0 HG1 THR A 93 -0.913 -0.900 -12.336 1.00 3.34 H new ATOM 0 HG21 THR A 93 -3.187 -3.424 -11.112 1.00 4.34 H new ATOM 0 HG22 THR A 93 -2.765 -3.099 -9.414 1.00 4.34 H new ATOM 0 HG23 THR A 93 -3.594 -1.854 -10.378 1.00 4.34 H new ATOM 1557 N PHE A 94 1.336 -0.821 -9.100 1.00 2.01 N ATOM 1558 CA PHE A 94 2.799 -0.713 -9.159 1.00 14.32 C ATOM 1559 C PHE A 94 3.403 -2.123 -9.279 1.00 51.31 C ATOM 1560 O PHE A 94 3.347 -2.912 -8.328 1.00 54.44 O ATOM 1561 CB PHE A 94 3.320 -0.008 -7.878 1.00 12.34 C ATOM 1562 CG PHE A 94 2.665 1.347 -7.626 1.00 13.03 C ATOM 1563 CD1 PHE A 94 3.210 2.518 -8.159 1.00 32.52 C ATOM 1564 CD2 PHE A 94 1.493 1.450 -6.866 1.00 60.12 C ATOM 1565 CE1 PHE A 94 2.608 3.741 -7.939 1.00 14.35 C ATOM 1566 CE2 PHE A 94 0.896 2.674 -6.647 1.00 31.02 C ATOM 1567 CZ PHE A 94 1.453 3.818 -7.184 1.00 0.21 C ATOM 0 H PHE A 94 0.991 -1.010 -8.159 1.00 2.01 H new ATOM 0 HA PHE A 94 3.095 -0.123 -10.026 1.00 14.32 H new ATOM 0 HB2 PHE A 94 3.143 -0.655 -7.018 1.00 12.34 H new ATOM 0 HB3 PHE A 94 4.399 0.127 -7.959 1.00 12.34 H new ATOM 0 HD1 PHE A 94 4.113 2.466 -8.750 1.00 32.52 H new ATOM 0 HD2 PHE A 94 1.051 0.559 -6.446 1.00 60.12 H new ATOM 0 HE1 PHE A 94 3.040 4.638 -8.357 1.00 14.35 H new ATOM 0 HE2 PHE A 94 -0.006 2.738 -6.056 1.00 31.02 H new ATOM 0 HZ PHE A 94 0.984 4.776 -7.013 1.00 0.21 H new ATOM 1577 N ASN A 95 3.946 -2.439 -10.459 1.00 41.44 N ATOM 1578 CA ASN A 95 4.588 -3.737 -10.752 1.00 62.20 C ATOM 1579 C ASN A 95 6.072 -3.509 -11.061 1.00 43.10 C ATOM 1580 O ASN A 95 6.419 -2.518 -11.725 1.00 40.04 O ATOM 1581 CB ASN A 95 3.896 -4.418 -11.963 1.00 61.31 C ATOM 1582 CG ASN A 95 2.424 -4.770 -11.703 1.00 12.22 C ATOM 1583 OD1 ASN A 95 1.534 -3.932 -11.848 1.00 50.43 O ATOM 1584 ND2 ASN A 95 2.152 -6.012 -11.339 1.00 35.42 N ATOM 0 H ASN A 95 3.955 -1.797 -11.251 1.00 41.44 H new ATOM 0 HA ASN A 95 4.491 -4.389 -9.884 1.00 62.20 H new ATOM 0 HB2 ASN A 95 3.957 -3.756 -12.827 1.00 61.31 H new ATOM 0 HB3 ASN A 95 4.440 -5.327 -12.219 1.00 61.31 H new ATOM 0 HD21 ASN A 95 1.186 -6.294 -11.172 1.00 35.42 H new ATOM 0 HD22 ASN A 95 2.908 -6.687 -11.226 1.00 35.42 H new ATOM 1591 N GLU A 96 6.943 -4.407 -10.559 1.00 63.14 N ATOM 1592 CA GLU A 96 8.381 -4.376 -10.874 1.00 53.43 C ATOM 1593 C GLU A 96 8.606 -4.878 -12.313 1.00 65.55 C ATOM 1594 O GLU A 96 8.465 -6.078 -12.604 1.00 11.10 O ATOM 1595 CB GLU A 96 9.200 -5.201 -9.845 1.00 72.53 C ATOM 1596 CG GLU A 96 9.159 -4.635 -8.406 1.00 73.05 C ATOM 1597 CD GLU A 96 9.730 -3.202 -8.274 1.00 42.01 C ATOM 1598 OE1 GLU A 96 10.954 -3.052 -8.056 1.00 71.22 O ATOM 1599 OE2 GLU A 96 8.958 -2.218 -8.400 1.00 3.22 O ATOM 0 H GLU A 96 6.672 -5.164 -9.932 1.00 63.14 H new ATOM 0 HA GLU A 96 8.736 -3.348 -10.807 1.00 53.43 H new ATOM 0 HB2 GLU A 96 8.823 -6.224 -9.833 1.00 72.53 H new ATOM 0 HB3 GLU A 96 10.237 -5.248 -10.176 1.00 72.53 H new ATOM 0 HG2 GLU A 96 8.127 -4.637 -8.056 1.00 73.05 H new ATOM 0 HG3 GLU A 96 9.720 -5.300 -7.749 1.00 73.05 H new ATOM 1606 N LYS A 97 8.893 -3.913 -13.200 1.00 74.20 N ATOM 1607 CA LYS A 97 9.112 -4.135 -14.643 1.00 52.34 C ATOM 1608 C LYS A 97 10.330 -5.071 -14.905 1.00 55.20 C ATOM 1609 O LYS A 97 10.162 -6.114 -15.578 1.00 65.23 O ATOM 1610 CB LYS A 97 9.253 -2.754 -15.370 1.00 42.00 C ATOM 1611 CG LYS A 97 10.231 -1.757 -14.694 1.00 30.15 C ATOM 1612 CD LYS A 97 10.261 -0.374 -15.381 1.00 74.41 C ATOM 1613 CE LYS A 97 11.084 0.654 -14.587 1.00 43.12 C ATOM 1614 NZ LYS A 97 10.531 0.881 -13.221 1.00 25.51 N ATOM 1615 OXT LYS A 97 11.434 -4.788 -14.402 1.00 37.80 O ATOM 0 H LYS A 97 8.982 -2.933 -12.931 1.00 74.20 H new ATOM 0 HA LYS A 97 8.246 -4.651 -15.057 1.00 52.34 H new ATOM 0 HB2 LYS A 97 9.586 -2.931 -16.393 1.00 42.00 H new ATOM 0 HB3 LYS A 97 8.269 -2.290 -15.431 1.00 42.00 H new ATOM 0 HG2 LYS A 97 9.946 -1.631 -13.649 1.00 30.15 H new ATOM 0 HG3 LYS A 97 11.235 -2.181 -14.702 1.00 30.15 H new ATOM 0 HD2 LYS A 97 10.680 -0.477 -16.382 1.00 74.41 H new ATOM 0 HD3 LYS A 97 9.241 -0.007 -15.499 1.00 74.41 H new ATOM 0 HE2 LYS A 97 12.115 0.309 -14.507 1.00 43.12 H new ATOM 0 HE3 LYS A 97 11.105 1.599 -15.131 1.00 43.12 H new ATOM 0 HZ1 LYS A 97 10.444 1.903 -13.047 1.00 25.51 H new ATOM 0 HZ2 LYS A 97 9.594 0.436 -13.148 1.00 25.51 H new ATOM 0 HZ3 LYS A 97 11.169 0.462 -12.514 1.00 25.51 H new TER 1629 LYS A 97