USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 30:sc= -0.283 USER MOD Set 1.2: A 80 MET CE :methyl -125:sc= -3.58! (180deg=-10.6!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.172) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -0.104 (180deg=-0.576) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= -5.13! (180deg=-8.54!) USER MOD Single : A 15 SER OG : rot 180:sc=-0.000595 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.88 USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= -3.71! (180deg=-7.12!) USER MOD Single : A 26 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 28 THR OG1 : rot -140:sc= -1.23 USER MOD Single : A 31 ASN : amide:sc= -3.95! C(o=-3.9!,f=-16!) USER MOD Single : A 33 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-3.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 70:sc= 0.303 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.463 F(o=-1.1,f=-0.46) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -3.27! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.752 F(o=-1.8,f=-0.75) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.335) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.64! F(o=-2.4,f=-1.6!) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= 0.297 (180deg=0.0563) USER MOD Single : A 63 THR OG1 : rot -120:sc= -0.649 USER MOD Single : A 65 MET CE :methyl -112:sc= -3.81 (180deg=-5.27!) USER MOD Single : A 70 ASN : amide:sc= -2.46 X(o=-2.5,f=-2.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -132:sc= -1.74! USER MOD Single : A 79 LYS NZ :NH3+ 162:sc= -1.73! (180deg=-2.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 15:sc= -1.3 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0151) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.982 (180deg=-2.17!) USER MOD Single : A 102 THR OG1 : rot -124:sc= 0.967 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 500 HEC O2A : rot 140:sc= -0.413 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.623 0.321 -1.260 1.00 24.45 N ATOM 2 CA GLY A 1 1.687 -0.030 -2.185 1.00 4.32 C ATOM 3 C GLY A 1 1.482 -1.438 -2.748 1.00 34.12 C ATOM 4 O GLY A 1 1.821 -2.425 -2.098 1.00 52.20 O ATOM 0 H1 GLY A 1 0.785 1.280 -0.892 1.00 24.45 H new ATOM 0 H2 GLY A 1 -0.291 0.290 -1.755 1.00 24.45 H new ATOM 0 H3 GLY A 1 0.613 -0.355 -0.470 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.716 0.691 -3.002 1.00 4.32 H new ATOM 0 HA3 GLY A 1 2.649 0.025 -1.676 1.00 4.32 H new ATOM 8 N ASP A 2 0.927 -1.485 -3.949 1.00 42.55 N ATOM 9 CA ASP A 2 0.672 -2.756 -4.607 1.00 3.31 C ATOM 10 C ASP A 2 2.005 -3.407 -4.981 1.00 4.41 C ATOM 11 O ASP A 2 2.896 -2.746 -5.513 1.00 51.34 O ATOM 12 CB ASP A 2 -0.136 -2.560 -5.892 1.00 52.41 C ATOM 13 CG ASP A 2 -1.643 -2.390 -5.688 1.00 63.04 C ATOM 14 OD1 ASP A 2 -2.336 -3.319 -5.248 1.00 4.01 O ATOM 15 OD2 ASP A 2 -2.109 -1.231 -6.006 1.00 63.42 O1- ATOM 0 H ASP A 2 0.646 -0.664 -4.485 1.00 42.55 H new ATOM 0 HA ASP A 2 0.107 -3.385 -3.919 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.246 -1.682 -6.414 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.033 -3.417 -6.544 1.00 52.41 H new ATOM 21 N VAL A 3 2.099 -4.696 -4.690 1.00 75.13 N ATOM 22 CA VAL A 3 3.310 -5.444 -4.990 1.00 75.34 C ATOM 23 C VAL A 3 3.326 -5.805 -6.476 1.00 13.43 C ATOM 24 O VAL A 3 4.374 -5.763 -7.117 1.00 74.44 O ATOM 25 CB VAL A 3 3.406 -6.668 -4.077 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.822 -6.370 -2.694 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.723 -7.881 -4.711 1.00 44.44 C ATOM 0 H VAL A 3 1.358 -5.242 -4.250 1.00 75.13 H new ATOM 0 HA VAL A 3 4.194 -4.837 -4.794 1.00 75.34 H new ATOM 0 HB VAL A 3 4.462 -6.907 -3.949 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.903 -7.257 -2.066 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.373 -5.549 -2.236 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.773 -6.091 -2.794 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.806 -8.737 -4.041 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.670 -7.657 -4.884 1.00 44.44 H new ATOM 0 HG23 VAL A 3 3.205 -8.115 -5.660 1.00 44.44 H new ATOM 37 N GLU A 4 2.150 -6.149 -6.982 1.00 51.25 N ATOM 38 CA GLU A 4 2.017 -6.517 -8.381 1.00 54.55 C ATOM 39 C GLU A 4 2.644 -5.444 -9.274 1.00 41.14 C ATOM 40 O GLU A 4 3.433 -5.756 -10.164 1.00 54.03 O ATOM 41 CB GLU A 4 0.549 -6.747 -8.749 1.00 30.12 C ATOM 42 CG GLU A 4 -0.043 -7.906 -7.946 1.00 30.34 C ATOM 43 CD GLU A 4 0.645 -9.226 -8.299 1.00 64.34 C ATOM 44 OE1 GLU A 4 0.382 -9.795 -9.369 1.00 52.43 O ATOM 45 OE2 GLU A 4 1.481 -9.658 -7.417 1.00 73.12 O1- ATOM 0 H GLU A 4 1.282 -6.180 -6.448 1.00 51.25 H new ATOM 0 HA GLU A 4 2.550 -7.454 -8.543 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.024 -5.839 -8.560 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.467 -6.959 -9.815 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.067 -7.708 -6.880 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.112 -7.984 -8.147 1.00 30.34 H new ATOM 53 N LYS A 5 2.270 -4.202 -9.005 1.00 75.51 N ATOM 54 CA LYS A 5 2.786 -3.082 -9.772 1.00 13.03 C ATOM 55 C LYS A 5 4.316 -3.104 -9.734 1.00 44.51 C ATOM 56 O LYS A 5 4.971 -2.561 -10.622 1.00 62.31 O ATOM 57 CB LYS A 5 2.179 -1.767 -9.277 1.00 32.11 C ATOM 58 CG LYS A 5 0.653 -1.793 -9.389 1.00 40.51 C ATOM 59 CD LYS A 5 0.213 -2.255 -10.779 1.00 51.43 C ATOM 60 CE LYS A 5 -1.145 -1.655 -11.152 1.00 34.33 C ATOM 61 NZ LYS A 5 -2.156 -1.981 -10.122 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.615 -3.947 -8.266 1.00 75.51 H new ATOM 0 HA LYS A 5 2.491 -3.170 -10.818 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.469 -1.596 -8.240 1.00 32.11 H new ATOM 0 HB3 LYS A 5 2.576 -0.936 -9.860 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.241 -2.461 -8.633 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.253 -0.799 -9.189 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.959 -1.961 -11.517 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.153 -3.343 -10.802 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.056 -0.573 -11.253 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.466 -2.040 -12.120 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -3.108 -1.796 -10.499 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -2.076 -2.985 -9.862 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -1.996 -1.392 -9.280 1.00 61.11 H new ATOM 74 N GLY A 6 4.841 -3.738 -8.695 1.00 33.14 N ATOM 75 CA GLY A 6 6.280 -3.839 -8.529 1.00 41.25 C ATOM 76 C GLY A 6 6.791 -5.207 -8.987 1.00 61.35 C ATOM 77 O GLY A 6 7.984 -5.378 -9.231 1.00 72.04 O ATOM 0 H GLY A 6 4.294 -4.187 -7.960 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.772 -3.053 -9.102 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.541 -3.681 -7.482 1.00 41.25 H new ATOM 81 N LYS A 7 5.861 -6.146 -9.089 1.00 54.25 N ATOM 82 CA LYS A 7 6.202 -7.493 -9.513 1.00 13.43 C ATOM 83 C LYS A 7 6.706 -7.457 -10.957 1.00 11.22 C ATOM 84 O LYS A 7 7.804 -7.930 -11.248 1.00 40.24 O ATOM 85 CB LYS A 7 5.017 -8.438 -9.299 1.00 12.01 C ATOM 86 CG LYS A 7 5.321 -9.832 -9.852 1.00 61.14 C ATOM 87 CD LYS A 7 6.022 -10.697 -8.802 1.00 21.42 C ATOM 88 CE LYS A 7 5.700 -12.179 -9.010 1.00 53.44 C ATOM 89 NZ LYS A 7 4.268 -12.440 -8.746 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.872 -6.000 -8.885 1.00 54.25 H new ATOM 0 HA LYS A 7 7.012 -7.891 -8.902 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.789 -8.506 -8.235 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.131 -8.033 -9.789 1.00 12.01 H new ATOM 0 HG2 LYS A 7 4.394 -10.313 -10.165 1.00 61.14 H new ATOM 0 HG3 LYS A 7 5.951 -9.747 -10.738 1.00 61.14 H new ATOM 0 HD2 LYS A 7 7.100 -10.544 -8.860 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.709 -10.390 -7.804 1.00 21.42 H new ATOM 0 HE2 LYS A 7 5.947 -12.471 -10.031 1.00 53.44 H new ATOM 0 HE3 LYS A 7 6.315 -12.787 -8.347 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 4.150 -13.417 -8.409 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.923 -11.779 -8.021 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.724 -12.308 -9.622 1.00 74.43 H new ATOM 102 N LYS A 8 5.880 -6.891 -11.824 1.00 45.33 N ATOM 103 CA LYS A 8 6.228 -6.786 -13.231 1.00 12.01 C ATOM 104 C LYS A 8 7.526 -5.987 -13.373 1.00 54.24 C ATOM 105 O LYS A 8 8.496 -6.468 -13.955 1.00 40.24 O ATOM 106 CB LYS A 8 5.059 -6.208 -14.031 1.00 14.42 C ATOM 107 CG LYS A 8 3.894 -7.198 -14.092 1.00 34.03 C ATOM 108 CD LYS A 8 4.342 -8.535 -14.687 1.00 33.34 C ATOM 109 CE LYS A 8 3.146 -9.318 -15.234 1.00 60.43 C ATOM 110 NZ LYS A 8 3.509 -10.738 -15.443 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.970 -6.500 -11.579 1.00 45.33 H new ATOM 0 HA LYS A 8 6.414 -7.774 -13.652 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.726 -5.276 -13.573 1.00 14.42 H new ATOM 0 HB3 LYS A 8 5.389 -5.967 -15.041 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.494 -7.357 -13.090 1.00 34.03 H new ATOM 0 HG3 LYS A 8 3.088 -6.780 -14.694 1.00 34.03 H new ATOM 0 HD2 LYS A 8 5.062 -8.359 -15.486 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.850 -9.125 -13.924 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.309 -9.249 -14.539 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.815 -8.878 -16.175 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 2.687 -11.255 -15.814 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 4.293 -10.799 -16.124 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 3.803 -11.158 -14.538 1.00 31.43 H new ATOM 123 N ILE A 9 7.500 -4.778 -12.831 1.00 72.22 N ATOM 124 CA ILE A 9 8.662 -3.907 -12.889 1.00 63.35 C ATOM 125 C ILE A 9 9.894 -4.673 -12.403 1.00 74.32 C ATOM 126 O ILE A 9 10.959 -4.593 -13.012 1.00 34.45 O ATOM 127 CB ILE A 9 8.399 -2.610 -12.120 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.372 -1.741 -12.846 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.704 -1.857 -11.855 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.752 -0.715 -11.895 1.00 3.44 C ATOM 0 H ILE A 9 6.693 -4.381 -12.350 1.00 72.22 H new ATOM 0 HA ILE A 9 8.861 -3.605 -13.917 1.00 63.35 H new ATOM 0 HB ILE A 9 7.973 -2.867 -11.150 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.850 -1.227 -13.680 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.589 -2.372 -13.267 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.490 -0.939 -11.307 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.372 -2.484 -11.265 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.181 -1.611 -12.804 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.025 -0.110 -12.437 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.254 -1.233 -11.075 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.535 -0.070 -11.495 1.00 3.44 H new ATOM 142 N PHE A 10 9.706 -5.396 -11.309 1.00 22.51 N ATOM 143 CA PHE A 10 10.789 -6.176 -10.733 1.00 30.30 C ATOM 144 C PHE A 10 11.250 -7.270 -11.699 1.00 54.03 C ATOM 145 O PHE A 10 12.390 -7.729 -11.623 1.00 62.33 O ATOM 146 CB PHE A 10 10.242 -6.831 -9.463 1.00 71.01 C ATOM 147 CG PHE A 10 11.073 -8.015 -8.967 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.133 -7.804 -8.142 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.752 -9.280 -9.349 1.00 53.24 C ATOM 150 CE1 PHE A 10 12.906 -8.903 -7.681 1.00 63.41 C ATOM 151 CE2 PHE A 10 11.524 -10.380 -8.888 1.00 45.31 C ATOM 152 CZ PHE A 10 12.584 -10.168 -8.064 1.00 72.24 C ATOM 0 H PHE A 10 8.821 -5.458 -10.806 1.00 22.51 H new ATOM 0 HA PHE A 10 11.642 -5.531 -10.523 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.189 -6.081 -8.674 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.223 -7.169 -9.651 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.388 -6.800 -7.837 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.910 -9.449 -10.003 1.00 53.24 H new ATOM 0 HE1 PHE A 10 13.749 -8.734 -7.027 1.00 63.41 H new ATOM 0 HE2 PHE A 10 11.269 -11.384 -9.192 1.00 45.31 H new ATOM 0 HZ PHE A 10 13.171 -11.004 -7.713 1.00 72.24 H new ATOM 162 N ILE A 11 10.342 -7.656 -12.583 1.00 5.51 N ATOM 163 CA ILE A 11 10.643 -8.687 -13.562 1.00 1.20 C ATOM 164 C ILE A 11 11.359 -8.056 -14.758 1.00 50.30 C ATOM 165 O ILE A 11 12.536 -8.325 -14.995 1.00 63.10 O ATOM 166 CB ILE A 11 9.373 -9.453 -13.939 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.832 -10.239 -12.742 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.617 -10.353 -15.152 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.324 -10.462 -12.871 1.00 31.21 C ATOM 0 H ILE A 11 9.398 -7.274 -12.642 1.00 5.51 H new ATOM 0 HA ILE A 11 11.322 -9.428 -13.139 1.00 1.20 H new ATOM 0 HB ILE A 11 8.608 -8.730 -14.222 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.341 -11.200 -12.673 1.00 73.50 H new ATOM 0 HG13 ILE A 11 9.046 -9.698 -11.820 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.699 -10.886 -15.400 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.923 -9.743 -16.002 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.403 -11.072 -14.920 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.964 -11.023 -12.008 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.816 -9.499 -12.915 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.116 -11.024 -13.781 1.00 31.21 H new ATOM 181 N MET A 12 10.617 -7.229 -15.480 1.00 24.33 N ATOM 182 CA MET A 12 11.166 -6.557 -16.647 1.00 1.20 C ATOM 183 C MET A 12 12.551 -5.982 -16.347 1.00 33.53 C ATOM 184 O MET A 12 13.365 -5.807 -17.252 1.00 42.35 O ATOM 185 CB MET A 12 10.226 -5.429 -17.075 1.00 60.40 C ATOM 186 CG MET A 12 10.282 -5.215 -18.590 1.00 23.04 C ATOM 187 SD MET A 12 9.942 -3.507 -18.978 1.00 15.25 S ATOM 188 CE MET A 12 11.607 -2.881 -19.113 1.00 65.42 C ATOM 0 H MET A 12 9.641 -7.009 -15.280 1.00 24.33 H new ATOM 0 HA MET A 12 11.263 -7.286 -17.451 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.206 -5.667 -16.775 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.502 -4.507 -16.563 1.00 60.40 H new ATOM 0 HG2 MET A 12 11.265 -5.494 -18.969 1.00 23.04 H new ATOM 0 HG3 MET A 12 9.555 -5.860 -19.084 1.00 23.04 H new ATOM 0 HE1 MET A 12 11.578 -1.818 -19.354 1.00 65.42 H new ATOM 0 HE2 MET A 12 12.128 -3.024 -18.166 1.00 65.42 H new ATOM 0 HE3 MET A 12 12.134 -3.417 -19.902 1.00 65.42 H new ATOM 198 N LYS A 13 12.778 -5.703 -15.071 1.00 62.15 N ATOM 199 CA LYS A 13 14.051 -5.151 -14.640 1.00 62.04 C ATOM 200 C LYS A 13 14.882 -6.252 -13.978 1.00 3.45 C ATOM 201 O LYS A 13 16.101 -6.292 -14.134 1.00 2.42 O ATOM 202 CB LYS A 13 13.829 -3.928 -13.747 1.00 42.23 C ATOM 203 CG LYS A 13 13.207 -2.777 -14.540 1.00 64.41 C ATOM 204 CD LYS A 13 12.307 -1.920 -13.647 1.00 24.41 C ATOM 205 CE LYS A 13 13.099 -0.779 -13.004 1.00 3.12 C ATOM 206 NZ LYS A 13 13.666 -1.210 -11.707 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.101 -5.849 -14.322 1.00 62.15 H new ATOM 0 HA LYS A 13 14.621 -4.793 -15.497 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.178 -4.194 -12.914 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.779 -3.608 -13.319 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.995 -2.158 -14.969 1.00 64.41 H new ATOM 0 HG3 LYS A 13 12.627 -3.176 -15.372 1.00 64.41 H new ATOM 0 HD2 LYS A 13 11.487 -1.511 -14.237 1.00 24.41 H new ATOM 0 HD3 LYS A 13 11.862 -2.541 -12.870 1.00 24.41 H new ATOM 0 HE2 LYS A 13 13.901 -0.463 -13.672 1.00 3.12 H new ATOM 0 HE3 LYS A 13 12.450 0.084 -12.855 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 13.364 -0.552 -10.960 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 13.329 -2.168 -11.482 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 14.704 -1.214 -11.766 1.00 43.44 H new ATOM 219 N CYS A 14 14.189 -7.118 -13.255 1.00 12.24 N ATOM 220 CA CYS A 14 14.847 -8.218 -12.569 1.00 32.54 C ATOM 221 C CYS A 14 14.065 -9.501 -12.855 1.00 32.32 C ATOM 222 O CYS A 14 13.250 -9.930 -12.040 1.00 22.25 O ATOM 223 CB CYS A 14 14.977 -7.951 -11.068 1.00 14.53 C ATOM 224 SG CYS A 14 14.841 -6.191 -10.587 1.00 23.33 S ATOM 0 H CYS A 14 13.178 -7.081 -13.129 1.00 12.24 H new ATOM 0 HA CYS A 14 15.865 -8.325 -12.942 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.206 -8.517 -10.545 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.939 -8.333 -10.727 1.00 14.53 H new ATOM 229 N SER A 15 14.339 -10.077 -14.017 1.00 63.31 N ATOM 230 CA SER A 15 13.671 -11.303 -14.421 1.00 52.21 C ATOM 231 C SER A 15 14.680 -12.452 -14.481 1.00 14.32 C ATOM 232 O SER A 15 15.764 -12.303 -15.043 1.00 24.42 O ATOM 233 CB SER A 15 12.978 -11.132 -15.774 1.00 24.11 C ATOM 234 OG SER A 15 12.688 -12.385 -16.387 1.00 62.04 O ATOM 0 H SER A 15 15.014 -9.717 -14.691 1.00 63.31 H new ATOM 0 HA SER A 15 12.907 -11.538 -13.680 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.053 -10.572 -15.639 1.00 24.11 H new ATOM 0 HB3 SER A 15 13.614 -10.543 -16.435 1.00 24.11 H new ATOM 0 HG SER A 15 12.245 -12.233 -17.248 1.00 62.04 H new ATOM 240 N GLN A 16 14.285 -13.574 -13.896 1.00 3.25 N ATOM 241 CA GLN A 16 15.140 -14.748 -13.876 1.00 0.11 C ATOM 242 C GLN A 16 16.581 -14.350 -13.550 1.00 64.21 C ATOM 243 O GLN A 16 17.525 -14.985 -14.016 1.00 52.24 O ATOM 244 CB GLN A 16 15.068 -15.500 -15.207 1.00 55.01 C ATOM 245 CG GLN A 16 15.526 -14.612 -16.365 1.00 51.45 C ATOM 246 CD GLN A 16 15.625 -15.414 -17.665 1.00 65.25 C ATOM 247 OE1 GLN A 16 14.710 -15.450 -18.472 1.00 12.42 O ATOM 248 NE2 GLN A 16 16.781 -16.051 -17.822 1.00 43.12 N ATOM 0 H GLN A 16 13.384 -13.694 -13.433 1.00 3.25 H new ATOM 0 HA GLN A 16 14.784 -15.420 -13.095 1.00 0.11 H new ATOM 0 HB2 GLN A 16 15.693 -16.392 -15.159 1.00 55.01 H new ATOM 0 HB3 GLN A 16 14.046 -15.836 -15.384 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.825 -13.787 -16.495 1.00 51.45 H new ATOM 0 HG3 GLN A 16 16.495 -14.173 -16.130 1.00 51.45 H new ATOM 0 HE21 GLN A 16 17.505 -15.978 -17.107 1.00 43.12 H new ATOM 0 HE22 GLN A 16 16.944 -16.613 -18.658 1.00 43.12 H new ATOM 257 N CYS A 17 16.704 -13.302 -12.749 1.00 41.41 N ATOM 258 CA CYS A 17 18.014 -12.812 -12.354 1.00 75.41 C ATOM 259 C CYS A 17 18.060 -12.743 -10.826 1.00 51.53 C ATOM 260 O CYS A 17 19.021 -13.199 -10.208 1.00 52.44 O ATOM 261 CB CYS A 17 18.330 -11.461 -12.997 1.00 31.53 C ATOM 262 SG CYS A 17 20.015 -11.320 -13.698 1.00 22.31 S ATOM 0 H CYS A 17 15.918 -12.779 -12.363 1.00 41.41 H new ATOM 0 HA CYS A 17 18.784 -13.497 -12.709 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.605 -11.273 -13.789 1.00 31.53 H new ATOM 0 HB3 CYS A 17 18.196 -10.679 -12.250 1.00 31.53 H new ATOM 267 N HIS A 18 17.009 -12.167 -10.261 1.00 64.33 N ATOM 268 CA HIS A 18 16.917 -12.031 -8.817 1.00 50.04 C ATOM 269 C HIS A 18 15.840 -12.976 -8.280 1.00 45.23 C ATOM 270 O HIS A 18 14.761 -13.086 -8.861 1.00 13.43 O ATOM 271 CB HIS A 18 16.677 -10.573 -8.422 1.00 30.21 C ATOM 272 CG HIS A 18 17.932 -9.827 -8.033 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.716 -10.192 -6.953 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.529 -8.735 -8.592 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.736 -9.350 -6.874 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.619 -8.448 -7.891 1.00 4.41 N ATOM 0 H HIS A 18 16.214 -11.789 -10.777 1.00 64.33 H new ATOM 0 HA HIS A 18 17.864 -12.319 -8.360 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.202 -10.055 -9.255 1.00 30.21 H new ATOM 0 HB3 HIS A 18 15.976 -10.544 -7.588 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.539 -10.976 -6.325 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.175 -8.196 -9.458 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.522 -9.374 -6.134 1.00 1.34 H new ATOM 284 N THR A 19 16.169 -13.632 -7.177 1.00 3.13 N ATOM 285 CA THR A 19 15.243 -14.564 -6.556 1.00 10.30 C ATOM 286 C THR A 19 14.708 -13.987 -5.243 1.00 53.54 C ATOM 287 O THR A 19 15.412 -13.257 -4.548 1.00 63.55 O ATOM 288 CB THR A 19 15.964 -15.901 -6.382 1.00 22.40 C ATOM 289 OG1 THR A 19 17.288 -15.537 -6.006 1.00 12.31 O ATOM 290 CG2 THR A 19 16.144 -16.645 -7.707 1.00 53.02 C ATOM 0 H THR A 19 17.064 -13.537 -6.697 1.00 3.13 H new ATOM 0 HA THR A 19 14.367 -14.730 -7.184 1.00 10.30 H new ATOM 0 HB THR A 19 15.404 -16.527 -5.687 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.895 -16.287 -6.178 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.661 -17.588 -7.528 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.167 -16.845 -8.148 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.732 -16.033 -8.391 1.00 53.02 H new ATOM 298 N VAL A 20 13.466 -14.337 -4.943 1.00 23.12 N ATOM 299 CA VAL A 20 12.827 -13.863 -3.726 1.00 24.13 C ATOM 300 C VAL A 20 12.148 -15.039 -3.022 1.00 41.42 C ATOM 301 O VAL A 20 11.337 -14.841 -2.119 1.00 25.44 O ATOM 302 CB VAL A 20 11.862 -12.722 -4.053 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.589 -11.570 -4.747 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.690 -13.222 -4.900 1.00 12.44 C ATOM 0 H VAL A 20 12.885 -14.943 -5.521 1.00 23.12 H new ATOM 0 HA VAL A 20 13.568 -13.456 -3.038 1.00 24.13 H new ATOM 0 HB VAL A 20 11.459 -12.344 -3.113 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.880 -10.773 -4.968 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.373 -11.188 -4.093 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.034 -11.927 -5.676 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.019 -12.392 -5.119 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.068 -13.639 -5.834 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.148 -13.992 -4.352 1.00 12.44 H new ATOM 314 N GLU A 21 12.504 -16.237 -3.461 1.00 11.10 N ATOM 315 CA GLU A 21 11.939 -17.445 -2.884 1.00 25.04 C ATOM 316 C GLU A 21 12.559 -17.717 -1.512 1.00 12.30 C ATOM 317 O GLU A 21 13.700 -17.335 -1.255 1.00 52.20 O ATOM 318 CB GLU A 21 12.129 -18.640 -3.819 1.00 44.12 C ATOM 319 CG GLU A 21 11.379 -18.432 -5.136 1.00 55.24 C ATOM 320 CD GLU A 21 9.928 -18.904 -5.021 1.00 31.53 C ATOM 321 OE1 GLU A 21 9.659 -19.931 -4.382 1.00 42.20 O ATOM 322 OE2 GLU A 21 9.063 -18.161 -5.625 1.00 50.23 O1- ATOM 0 H GLU A 21 13.177 -16.397 -4.210 1.00 11.10 H new ATOM 0 HA GLU A 21 10.867 -17.296 -2.754 1.00 25.04 H new ATOM 0 HB2 GLU A 21 13.191 -18.784 -4.020 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.771 -19.547 -3.332 1.00 44.12 H new ATOM 0 HG2 GLU A 21 11.401 -17.377 -5.409 1.00 55.24 H new ATOM 0 HG3 GLU A 21 11.881 -18.978 -5.935 1.00 55.24 H new ATOM 330 N LYS A 22 11.781 -18.377 -0.666 1.00 73.14 N ATOM 331 CA LYS A 22 12.239 -18.705 0.672 1.00 13.40 C ATOM 332 C LYS A 22 13.355 -19.748 0.583 1.00 71.42 C ATOM 333 O LYS A 22 13.122 -20.934 0.815 1.00 40.23 O ATOM 334 CB LYS A 22 11.064 -19.136 1.551 1.00 60.13 C ATOM 335 CG LYS A 22 9.965 -18.072 1.557 1.00 54.23 C ATOM 336 CD LYS A 22 10.188 -17.059 2.682 1.00 32.02 C ATOM 337 CE LYS A 22 9.795 -17.651 4.038 1.00 72.12 C ATOM 338 NZ LYS A 22 8.323 -17.678 4.185 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.836 -18.693 -0.882 1.00 73.14 H new ATOM 0 HA LYS A 22 12.662 -17.825 1.156 1.00 13.40 H new ATOM 0 HB2 LYS A 22 10.659 -20.080 1.186 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.412 -19.311 2.569 1.00 60.13 H new ATOM 0 HG2 LYS A 22 9.948 -17.556 0.597 1.00 54.23 H new ATOM 0 HG3 LYS A 22 8.993 -18.549 1.680 1.00 54.23 H new ATOM 0 HD2 LYS A 22 11.235 -16.757 2.702 1.00 32.02 H new ATOM 0 HD3 LYS A 22 9.601 -16.161 2.489 1.00 32.02 H new ATOM 0 HE2 LYS A 22 10.194 -18.661 4.130 1.00 72.12 H new ATOM 0 HE3 LYS A 22 10.236 -17.060 4.841 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 8.065 -17.381 5.148 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 7.893 -17.029 3.495 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 7.975 -18.643 4.016 1.00 5.33 H new ATOM 351 N GLY A 23 14.544 -19.270 0.247 1.00 32.25 N ATOM 352 CA GLY A 23 15.696 -20.146 0.124 1.00 1.23 C ATOM 353 C GLY A 23 15.950 -20.517 -1.338 1.00 60.40 C ATOM 354 O GLY A 23 16.594 -21.525 -1.624 1.00 40.12 O ATOM 0 H GLY A 23 14.734 -18.286 0.056 1.00 32.25 H new ATOM 0 HA2 GLY A 23 16.577 -19.654 0.536 1.00 1.23 H new ATOM 0 HA3 GLY A 23 15.533 -21.051 0.709 1.00 1.23 H new ATOM 358 N GLY A 24 15.431 -19.682 -2.226 1.00 42.54 N ATOM 359 CA GLY A 24 15.593 -19.909 -3.652 1.00 13.42 C ATOM 360 C GLY A 24 17.051 -20.224 -3.994 1.00 24.43 C ATOM 361 O GLY A 24 17.928 -20.132 -3.136 1.00 31.23 O ATOM 0 H GLY A 24 14.898 -18.847 -1.985 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.955 -20.735 -3.967 1.00 13.42 H new ATOM 0 HA3 GLY A 24 15.269 -19.027 -4.204 1.00 13.42 H new ATOM 365 N LYS A 25 17.264 -20.589 -5.250 1.00 43.10 N ATOM 366 CA LYS A 25 18.600 -20.918 -5.717 1.00 25.50 C ATOM 367 C LYS A 25 19.248 -19.669 -6.318 1.00 31.53 C ATOM 368 O LYS A 25 18.559 -18.706 -6.649 1.00 63.34 O ATOM 369 CB LYS A 25 18.555 -22.109 -6.676 1.00 45.42 C ATOM 370 CG LYS A 25 18.300 -21.647 -8.112 1.00 33.12 C ATOM 371 CD LYS A 25 16.878 -21.104 -8.270 1.00 51.15 C ATOM 372 CE LYS A 25 16.424 -21.169 -9.730 1.00 20.45 C ATOM 373 NZ LYS A 25 15.075 -20.582 -9.880 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.534 -20.664 -5.958 1.00 43.10 H new ATOM 0 HA LYS A 25 19.227 -21.233 -4.883 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.497 -22.655 -6.628 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.770 -22.800 -6.367 1.00 45.42 H new ATOM 0 HG2 LYS A 25 19.020 -20.875 -8.382 1.00 33.12 H new ATOM 0 HG3 LYS A 25 18.453 -22.480 -8.798 1.00 33.12 H new ATOM 0 HD2 LYS A 25 16.194 -21.680 -7.647 1.00 51.15 H new ATOM 0 HD3 LYS A 25 16.838 -20.073 -7.919 1.00 51.15 H new ATOM 0 HE2 LYS A 25 17.132 -20.633 -10.361 1.00 20.45 H new ATOM 0 HE3 LYS A 25 16.416 -22.205 -10.069 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 14.783 -20.634 -10.877 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 14.399 -21.111 -9.293 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 15.093 -19.587 -9.576 1.00 61.34 H new ATOM 386 N HIS A 26 20.566 -19.725 -6.441 1.00 35.31 N ATOM 387 CA HIS A 26 21.315 -18.611 -6.996 1.00 31.21 C ATOM 388 C HIS A 26 21.634 -18.889 -8.466 1.00 31.35 C ATOM 389 O HIS A 26 22.057 -19.990 -8.816 1.00 63.11 O ATOM 390 CB HIS A 26 22.564 -18.326 -6.161 1.00 60.42 C ATOM 391 CG HIS A 26 22.337 -18.396 -4.670 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.890 -17.316 -3.929 1.00 53.11 N ATOM 393 CD2 HIS A 26 22.495 -19.427 -3.792 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.791 -17.691 -2.662 1.00 4.22 C ATOM 395 NE2 HIS A 26 22.166 -18.999 -2.579 1.00 45.54 N ATOM 0 H HIS A 26 21.135 -20.526 -6.165 1.00 35.31 H new ATOM 0 HA HIS A 26 20.710 -17.705 -6.957 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.341 -19.040 -6.433 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.939 -17.335 -6.415 1.00 60.42 H new ATOM 0 HD2 HIS A 26 22.831 -20.423 -4.041 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.470 -17.069 -1.839 1.00 4.22 H new ATOM 0 HE2 HIS A 26 22.190 -19.557 -1.726 1.00 45.54 H new ATOM 403 N LYS A 27 21.419 -17.871 -9.288 1.00 43.43 N ATOM 404 CA LYS A 27 21.680 -17.993 -10.712 1.00 42.03 C ATOM 405 C LYS A 27 22.598 -16.853 -11.157 1.00 2.45 C ATOM 406 O LYS A 27 23.811 -16.914 -10.957 1.00 22.32 O ATOM 407 CB LYS A 27 20.365 -18.063 -11.492 1.00 4.12 C ATOM 408 CG LYS A 27 19.911 -19.513 -11.673 1.00 44.14 C ATOM 409 CD LYS A 27 18.808 -19.616 -12.728 1.00 74.23 C ATOM 410 CE LYS A 27 17.668 -18.642 -12.424 1.00 2.05 C ATOM 411 NZ LYS A 27 16.413 -19.097 -13.064 1.00 22.44 N1+ ATOM 0 H LYS A 27 21.067 -16.959 -8.995 1.00 43.43 H new ATOM 0 HA LYS A 27 22.202 -18.926 -10.926 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.595 -17.500 -10.965 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.491 -17.593 -12.467 1.00 4.12 H new ATOM 0 HG2 LYS A 27 20.760 -20.129 -11.969 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.548 -19.905 -10.723 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.221 -19.402 -13.714 1.00 74.23 H new ATOM 0 HD3 LYS A 27 18.422 -20.635 -12.758 1.00 74.23 H new ATOM 0 HE2 LYS A 27 17.526 -18.564 -11.346 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.927 -17.646 -12.784 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.649 -18.425 -12.848 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.547 -19.149 -14.094 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 16.159 -20.038 -12.701 1.00 22.44 H new ATOM 424 N THR A 28 21.986 -15.839 -11.753 1.00 45.00 N ATOM 425 CA THR A 28 22.734 -14.688 -12.227 1.00 61.12 C ATOM 426 C THR A 28 22.851 -13.636 -11.123 1.00 45.43 C ATOM 427 O THR A 28 23.752 -12.798 -11.152 1.00 2.21 O ATOM 428 CB THR A 28 22.048 -14.167 -13.491 1.00 35.30 C ATOM 429 OG1 THR A 28 20.664 -14.430 -13.269 1.00 61.25 O ATOM 430 CG2 THR A 28 22.391 -14.999 -14.729 1.00 51.31 C ATOM 0 H THR A 28 20.981 -15.792 -11.918 1.00 45.00 H new ATOM 0 HA THR A 28 23.758 -14.960 -12.483 1.00 61.12 H new ATOM 0 HB THR A 28 22.337 -13.130 -13.659 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.252 -14.741 -14.102 1.00 61.25 H new ATOM 0 HG21 THR A 28 21.878 -14.587 -15.598 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.468 -14.974 -14.897 1.00 51.31 H new ATOM 0 HG23 THR A 28 22.072 -16.030 -14.575 1.00 51.31 H new ATOM 438 N GLY A 29 21.929 -13.714 -10.174 1.00 10.45 N ATOM 439 CA GLY A 29 21.918 -12.779 -9.062 1.00 52.43 C ATOM 440 C GLY A 29 21.575 -13.490 -7.752 1.00 73.33 C ATOM 441 O GLY A 29 20.963 -14.557 -7.762 1.00 12.41 O ATOM 0 H GLY A 29 21.184 -14.411 -10.153 1.00 10.45 H new ATOM 0 HA2 GLY A 29 22.893 -12.300 -8.975 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.191 -11.990 -9.253 1.00 52.43 H new ATOM 445 N PRO A 30 21.993 -12.854 -6.625 1.00 64.11 N ATOM 446 CA PRO A 30 21.736 -13.413 -5.310 1.00 53.23 C ATOM 447 C PRO A 30 20.271 -13.228 -4.912 1.00 41.02 C ATOM 448 O PRO A 30 19.649 -12.225 -5.264 1.00 1.24 O ATOM 449 CB PRO A 30 22.699 -12.693 -4.381 1.00 21.01 C ATOM 450 CG PRO A 30 23.131 -11.437 -5.120 1.00 61.15 C ATOM 451 CD PRO A 30 22.720 -11.587 -6.575 1.00 30.43 C ATOM 0 HA PRO A 30 21.898 -14.490 -5.272 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.217 -12.444 -3.436 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.557 -13.322 -4.145 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.664 -10.556 -4.680 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.209 -11.299 -5.040 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.092 -10.757 -6.897 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.589 -11.603 -7.233 1.00 30.43 H new ATOM 459 N ASN A 31 19.759 -14.209 -4.183 1.00 42.21 N ATOM 460 CA ASN A 31 18.378 -14.167 -3.733 1.00 54.23 C ATOM 461 C ASN A 31 18.242 -13.126 -2.620 1.00 24.12 C ATOM 462 O ASN A 31 18.950 -13.188 -1.616 1.00 22.02 O ATOM 463 CB ASN A 31 17.941 -15.520 -3.171 1.00 1.42 C ATOM 464 CG ASN A 31 16.447 -15.519 -2.839 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.896 -14.551 -2.341 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.825 -16.656 -3.141 1.00 24.23 N ATOM 0 H ASN A 31 20.277 -15.039 -3.893 1.00 42.21 H new ATOM 0 HA ASN A 31 17.751 -13.913 -4.588 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.156 -16.305 -3.896 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.516 -15.748 -2.274 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.827 -16.756 -2.957 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.347 -17.428 -3.556 1.00 24.23 H new ATOM 473 N LEU A 32 17.325 -12.194 -2.835 1.00 74.54 N ATOM 474 CA LEU A 32 17.085 -11.141 -1.862 1.00 5.51 C ATOM 475 C LEU A 32 15.910 -11.537 -0.967 1.00 71.53 C ATOM 476 O LEU A 32 15.044 -10.714 -0.671 1.00 22.25 O ATOM 477 CB LEU A 32 16.897 -9.795 -2.565 1.00 14.14 C ATOM 478 CG LEU A 32 18.174 -9.009 -2.864 1.00 30.32 C ATOM 479 CD1 LEU A 32 19.223 -9.901 -3.531 1.00 72.11 C ATOM 480 CD2 LEU A 32 17.870 -7.762 -3.696 1.00 23.23 C ATOM 0 H LEU A 32 16.739 -12.146 -3.669 1.00 74.54 H new ATOM 0 HA LEU A 32 17.952 -11.017 -1.213 1.00 5.51 H new ATOM 0 HB2 LEU A 32 16.373 -9.969 -3.505 1.00 14.14 H new ATOM 0 HB3 LEU A 32 16.248 -9.173 -1.948 1.00 14.14 H new ATOM 0 HG LEU A 32 18.594 -8.669 -1.918 1.00 30.32 H new ATOM 0 HD11 LEU A 32 20.121 -9.318 -3.733 1.00 72.11 H new ATOM 0 HD12 LEU A 32 19.470 -10.730 -2.868 1.00 72.11 H new ATOM 0 HD13 LEU A 32 18.826 -10.292 -4.468 1.00 72.11 H new ATOM 0 HD21 LEU A 32 18.796 -7.222 -3.894 1.00 23.23 H new ATOM 0 HD22 LEU A 32 17.413 -8.057 -4.641 1.00 23.23 H new ATOM 0 HD23 LEU A 32 17.184 -7.117 -3.147 1.00 23.23 H new ATOM 492 N HIS A 33 15.917 -12.799 -0.559 1.00 14.50 N ATOM 493 CA HIS A 33 14.862 -13.314 0.297 1.00 13.44 C ATOM 494 C HIS A 33 14.984 -12.696 1.691 1.00 62.54 C ATOM 495 O HIS A 33 13.978 -12.367 2.318 1.00 23.12 O ATOM 496 CB HIS A 33 14.882 -14.844 0.323 1.00 5.43 C ATOM 497 CG HIS A 33 14.370 -15.443 1.611 1.00 22.13 C ATOM 498 ND1 HIS A 33 14.981 -16.517 2.233 1.00 13.25 N ATOM 499 CD2 HIS A 33 13.299 -15.107 2.385 1.00 23.11 C ATOM 500 CE1 HIS A 33 14.300 -16.807 3.332 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.257 -15.932 3.424 1.00 50.42 N ATOM 0 H HIS A 33 16.636 -13.479 -0.806 1.00 14.50 H new ATOM 0 HA HIS A 33 13.890 -13.028 -0.105 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.280 -15.219 -0.505 1.00 5.43 H new ATOM 0 HB3 HIS A 33 15.903 -15.187 0.156 1.00 5.43 H new ATOM 0 HD2 HIS A 33 12.603 -14.306 2.186 1.00 23.11 H new ATOM 0 HE1 HIS A 33 14.530 -17.597 4.032 1.00 64.43 H new ATOM 0 HE2 HIS A 33 12.560 -15.915 4.168 1.00 50.42 H new ATOM 509 N GLY A 34 16.225 -12.555 2.134 1.00 75.21 N ATOM 510 CA GLY A 34 16.491 -11.982 3.442 1.00 51.24 C ATOM 511 C GLY A 34 16.947 -10.526 3.320 1.00 41.32 C ATOM 512 O GLY A 34 17.630 -10.009 4.203 1.00 23.54 O ATOM 0 H GLY A 34 17.057 -12.828 1.610 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.592 -12.035 4.056 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.259 -12.566 3.950 1.00 51.24 H new ATOM 516 N LEU A 35 16.548 -9.905 2.221 1.00 32.14 N ATOM 517 CA LEU A 35 16.906 -8.519 1.972 1.00 14.33 C ATOM 518 C LEU A 35 16.800 -7.727 3.277 1.00 14.32 C ATOM 519 O LEU A 35 17.809 -7.278 3.819 1.00 23.33 O ATOM 520 CB LEU A 35 16.061 -7.943 0.834 1.00 1.34 C ATOM 521 CG LEU A 35 16.395 -6.512 0.408 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.794 -6.435 -0.207 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.324 -5.955 -0.533 1.00 20.03 C ATOM 0 H LEU A 35 15.980 -10.336 1.492 1.00 32.14 H new ATOM 0 HA LEU A 35 17.941 -8.448 1.638 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.166 -8.593 -0.035 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.013 -7.977 1.133 1.00 1.34 H new ATOM 0 HG LEU A 35 16.400 -5.883 1.299 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.006 -5.407 -0.501 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.532 -6.763 0.525 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.842 -7.081 -1.084 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.586 -4.937 -0.820 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.263 -6.579 -1.424 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.360 -5.952 -0.025 1.00 20.03 H new ATOM 535 N PHE A 36 15.569 -7.581 3.745 1.00 5.35 N ATOM 536 CA PHE A 36 15.318 -6.852 4.976 1.00 22.24 C ATOM 537 C PHE A 36 15.724 -7.681 6.197 1.00 61.41 C ATOM 538 O PHE A 36 14.961 -8.530 6.655 1.00 2.04 O ATOM 539 CB PHE A 36 13.814 -6.579 5.036 1.00 52.13 C ATOM 540 CG PHE A 36 13.338 -5.498 4.063 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.239 -5.775 2.735 1.00 23.43 C ATOM 542 CD2 PHE A 36 13.014 -4.261 4.526 1.00 33.42 C ATOM 543 CE1 PHE A 36 12.797 -4.772 1.832 1.00 12.33 C ATOM 544 CE2 PHE A 36 12.573 -3.258 3.623 1.00 1.43 C ATOM 545 CZ PHE A 36 12.473 -3.535 2.295 1.00 2.54 C ATOM 0 H PHE A 36 14.735 -7.955 3.293 1.00 5.35 H new ATOM 0 HA PHE A 36 15.899 -5.930 4.987 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.278 -7.505 4.825 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.549 -6.282 6.051 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.496 -6.757 2.367 1.00 23.43 H new ATOM 0 HD2 PHE A 36 13.092 -4.042 5.581 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.718 -4.992 0.778 1.00 12.33 H new ATOM 0 HE2 PHE A 36 12.317 -2.275 3.990 1.00 1.43 H new ATOM 0 HZ PHE A 36 12.136 -2.773 1.608 1.00 2.54 H new ATOM 555 N GLY A 37 16.923 -7.405 6.688 1.00 15.13 N ATOM 556 CA GLY A 37 17.437 -8.115 7.846 1.00 44.23 C ATOM 557 C GLY A 37 18.662 -8.954 7.475 1.00 13.23 C ATOM 558 O GLY A 37 18.908 -10.001 8.073 1.00 33.14 O ATOM 0 H GLY A 37 17.553 -6.700 6.305 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.703 -7.402 8.626 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.660 -8.760 8.256 1.00 44.23 H new ATOM 562 N ARG A 38 19.400 -8.462 6.490 1.00 71.12 N ATOM 563 CA ARG A 38 20.593 -9.154 6.032 1.00 72.15 C ATOM 564 C ARG A 38 21.648 -8.145 5.574 1.00 53.24 C ATOM 565 O ARG A 38 21.388 -7.325 4.694 1.00 74.14 O ATOM 566 CB ARG A 38 20.271 -10.104 4.877 1.00 13.11 C ATOM 567 CG ARG A 38 21.517 -10.874 4.436 1.00 61.12 C ATOM 568 CD ARG A 38 21.198 -11.810 3.268 1.00 23.15 C ATOM 569 NE ARG A 38 20.000 -12.620 3.583 1.00 44.20 N ATOM 570 CZ ARG A 38 20.004 -13.692 4.402 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.147 -14.094 4.999 1.00 2.45 N ATOM 572 NH2 ARG A 38 18.874 -14.342 4.611 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.195 -7.593 5.997 1.00 71.12 H new ATOM 0 HA ARG A 38 20.980 -9.736 6.868 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.495 -10.806 5.184 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.873 -9.537 4.035 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.297 -10.172 4.142 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.907 -11.452 5.274 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.027 -11.229 2.362 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.048 -12.463 3.072 1.00 23.15 H new ATOM 0 HE ARG A 38 19.115 -12.351 3.153 1.00 44.20 H new ATOM 0 HH11 ARG A 38 22.016 -13.586 4.832 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.142 -14.906 5.617 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.015 -14.032 4.156 1.00 43.34 H new ATOM 0 HH22 ARG A 38 18.860 -15.155 5.227 1.00 43.34 H new ATOM 585 N LYS A 39 22.817 -8.237 6.190 1.00 1.25 N ATOM 586 CA LYS A 39 23.912 -7.343 5.857 1.00 23.04 C ATOM 587 C LYS A 39 24.344 -7.589 4.410 1.00 30.04 C ATOM 588 O LYS A 39 23.895 -8.545 3.779 1.00 3.20 O ATOM 589 CB LYS A 39 25.049 -7.486 6.871 1.00 65.41 C ATOM 590 CG LYS A 39 25.853 -6.189 6.981 1.00 52.45 C ATOM 591 CD LYS A 39 26.630 -6.135 8.298 1.00 54.13 C ATOM 592 CE LYS A 39 26.627 -4.720 8.879 1.00 12.24 C ATOM 593 NZ LYS A 39 27.849 -4.488 9.683 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.030 -8.918 6.919 1.00 1.25 H new ATOM 0 HA LYS A 39 23.588 -6.304 5.921 1.00 23.04 H new ATOM 0 HB2 LYS A 39 24.640 -7.748 7.847 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.707 -8.302 6.572 1.00 65.41 H new ATOM 0 HG2 LYS A 39 26.546 -6.114 6.143 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.181 -5.334 6.916 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.187 -6.827 9.014 1.00 54.13 H new ATOM 0 HD3 LYS A 39 27.657 -6.462 8.132 1.00 54.13 H new ATOM 0 HE2 LYS A 39 26.571 -3.989 8.072 1.00 12.24 H new ATOM 0 HE3 LYS A 39 25.743 -4.577 9.500 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 27.832 -3.523 10.070 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 27.886 -5.174 10.464 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 28.688 -4.604 9.080 1.00 2.13 H new ATOM 606 N THR A 40 25.209 -6.709 3.927 1.00 35.13 N ATOM 607 CA THR A 40 25.707 -6.820 2.566 1.00 75.44 C ATOM 608 C THR A 40 26.746 -7.939 2.467 1.00 43.11 C ATOM 609 O THR A 40 27.636 -8.042 3.310 1.00 72.31 O ATOM 610 CB THR A 40 26.247 -5.451 2.147 1.00 74.21 C ATOM 611 OG1 THR A 40 26.885 -4.956 3.322 1.00 42.25 O ATOM 612 CG2 THR A 40 25.131 -4.440 1.875 1.00 52.34 C ATOM 0 H THR A 40 25.577 -5.917 4.453 1.00 35.13 H new ATOM 0 HA THR A 40 24.911 -7.097 1.875 1.00 75.44 H new ATOM 0 HB THR A 40 26.863 -5.561 1.254 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.696 -5.477 3.498 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.568 -3.486 1.581 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.493 -4.809 1.072 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.535 -4.304 2.778 1.00 52.34 H new ATOM 620 N GLY A 41 26.596 -8.751 1.430 1.00 61.55 N ATOM 621 CA GLY A 41 27.511 -9.859 1.209 1.00 62.50 C ATOM 622 C GLY A 41 27.364 -10.917 2.305 1.00 21.13 C ATOM 623 O GLY A 41 28.323 -11.215 3.016 1.00 23.11 O ATOM 0 H GLY A 41 25.855 -8.664 0.734 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.315 -10.309 0.236 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.537 -9.490 1.189 1.00 62.50 H new ATOM 627 N GLN A 42 26.158 -11.454 2.408 1.00 20.11 N ATOM 628 CA GLN A 42 25.873 -12.471 3.404 1.00 50.44 C ATOM 629 C GLN A 42 25.567 -13.808 2.726 1.00 23.41 C ATOM 630 O GLN A 42 25.970 -14.863 3.214 1.00 22.22 O ATOM 631 CB GLN A 42 24.721 -12.041 4.314 1.00 22.15 C ATOM 632 CG GLN A 42 25.120 -10.840 5.174 1.00 43.33 C ATOM 633 CD GLN A 42 26.311 -11.181 6.072 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.489 -10.836 5.562 1.00 53.24 O flip ATOM 635 NE2 GLN A 42 26.169 -11.720 7.157 1.00 55.35 N flip ATOM 0 H GLN A 42 25.366 -11.203 1.817 1.00 20.11 H new ATOM 0 HA GLN A 42 26.757 -12.597 4.029 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.851 -11.786 3.709 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.431 -12.872 4.956 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.374 -9.997 4.532 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.274 -10.530 5.788 1.00 43.33 H new ATOM 0 HE21 GLN A 42 25.235 -11.959 7.490 1.00 55.35 H new ATOM 0 HE22 GLN A 42 26.985 -11.932 7.732 1.00 55.35 H new ATOM 644 N ALA A 43 24.857 -13.720 1.611 1.00 70.23 N ATOM 645 CA ALA A 43 24.491 -14.910 0.861 1.00 30.12 C ATOM 646 C ALA A 43 25.668 -15.888 0.860 1.00 64.14 C ATOM 647 O ALA A 43 26.610 -15.730 0.084 1.00 13.20 O ATOM 648 CB ALA A 43 24.064 -14.510 -0.553 1.00 22.12 C ATOM 0 H ALA A 43 24.525 -12.843 1.209 1.00 70.23 H new ATOM 0 HA ALA A 43 23.644 -15.413 1.327 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.789 -15.402 -1.116 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.208 -13.838 -0.498 1.00 22.12 H new ATOM 0 HB3 ALA A 43 24.890 -14.005 -1.053 1.00 22.12 H new ATOM 654 N PRO A 44 25.573 -16.903 1.760 1.00 21.12 N ATOM 655 CA PRO A 44 26.618 -17.906 1.870 1.00 3.52 C ATOM 656 C PRO A 44 26.557 -18.891 0.701 1.00 70.11 C ATOM 657 O PRO A 44 27.372 -19.809 0.615 1.00 13.44 O ATOM 658 CB PRO A 44 26.386 -18.569 3.218 1.00 43.33 C ATOM 659 CG PRO A 44 24.954 -18.237 3.606 1.00 50.30 C ATOM 660 CD PRO A 44 24.472 -17.121 2.694 1.00 14.51 C ATOM 0 HA PRO A 44 27.619 -17.478 1.818 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.533 -19.647 3.153 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.089 -18.196 3.963 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.317 -19.116 3.504 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.903 -17.926 4.650 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.559 -17.404 2.170 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.248 -16.217 3.260 1.00 14.51 H new ATOM 668 N GLY A 45 25.584 -18.667 -0.170 1.00 63.41 N ATOM 669 CA GLY A 45 25.407 -19.524 -1.331 1.00 62.30 C ATOM 670 C GLY A 45 25.988 -18.873 -2.587 1.00 51.31 C ATOM 671 O GLY A 45 26.066 -19.505 -3.639 1.00 1.41 O ATOM 0 H GLY A 45 24.910 -17.905 -0.095 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.893 -20.484 -1.156 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.346 -19.727 -1.480 1.00 62.30 H new ATOM 675 N TYR A 46 26.381 -17.617 -2.436 1.00 31.42 N ATOM 676 CA TYR A 46 26.953 -16.873 -3.545 1.00 33.33 C ATOM 677 C TYR A 46 27.635 -15.594 -3.054 1.00 21.45 C ATOM 678 O TYR A 46 26.995 -14.740 -2.441 1.00 53.01 O ATOM 679 CB TYR A 46 25.778 -16.495 -4.450 1.00 11.41 C ATOM 680 CG TYR A 46 26.195 -15.857 -5.777 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.209 -16.421 -6.524 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.556 -14.720 -6.226 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.601 -15.821 -7.773 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.948 -14.121 -7.476 1.00 4.30 C ATOM 685 CZ TYR A 46 26.951 -14.700 -8.187 1.00 64.21 C ATOM 686 OH TYR A 46 27.322 -14.133 -9.367 1.00 73.20 O ATOM 0 H TYR A 46 26.315 -17.096 -1.562 1.00 31.42 H new ATOM 0 HA TYR A 46 27.703 -17.471 -4.062 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.190 -17.389 -4.657 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.128 -15.803 -3.914 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.708 -17.312 -6.172 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.762 -14.279 -5.641 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.393 -16.251 -8.368 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.456 -13.231 -7.840 1.00 4.30 H new ATOM 0 HH TYR A 46 26.771 -13.340 -9.536 1.00 73.20 H new ATOM 696 N SER A 47 28.925 -15.502 -3.341 1.00 61.13 N ATOM 697 CA SER A 47 29.701 -14.341 -2.937 1.00 50.02 C ATOM 698 C SER A 47 29.701 -13.296 -4.054 1.00 61.25 C ATOM 699 O SER A 47 29.683 -13.645 -5.234 1.00 74.42 O ATOM 700 CB SER A 47 31.136 -14.736 -2.579 1.00 64.01 C ATOM 701 OG SER A 47 31.186 -15.590 -1.439 1.00 62.20 O ATOM 0 H SER A 47 29.453 -16.212 -3.848 1.00 61.13 H new ATOM 0 HA SER A 47 29.238 -13.912 -2.048 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.596 -15.239 -3.429 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.722 -13.837 -2.385 1.00 64.01 H new ATOM 0 HG SER A 47 32.118 -15.821 -1.244 1.00 62.20 H new ATOM 707 N TYR A 48 29.723 -12.037 -3.643 1.00 23.43 N ATOM 708 CA TYR A 48 29.726 -10.939 -4.594 1.00 51.03 C ATOM 709 C TYR A 48 31.128 -10.346 -4.742 1.00 50.11 C ATOM 710 O TYR A 48 32.087 -10.858 -4.168 1.00 44.52 O ATOM 711 CB TYR A 48 28.792 -9.875 -4.013 1.00 20.35 C ATOM 712 CG TYR A 48 27.570 -10.446 -3.293 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.081 -11.688 -3.643 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.955 -9.719 -2.295 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.930 -12.226 -2.965 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.803 -10.256 -1.617 1.00 74.50 C ATOM 717 CZ TYR A 48 25.347 -11.483 -1.986 1.00 31.14 C ATOM 718 OH TYR A 48 24.260 -11.990 -1.346 1.00 23.04 O ATOM 0 H TYR A 48 29.739 -11.753 -2.664 1.00 23.43 H new ATOM 0 HA TYR A 48 29.407 -11.282 -5.578 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.355 -9.254 -3.316 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.454 -9.223 -4.819 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.561 -12.257 -4.425 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.337 -8.747 -2.022 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.538 -13.198 -3.228 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.313 -9.697 -0.834 1.00 74.50 H new ATOM 0 HH TYR A 48 23.950 -11.351 -0.671 1.00 23.04 H new ATOM 728 N THR A 49 31.203 -9.273 -5.516 1.00 5.20 N ATOM 729 CA THR A 49 32.472 -8.603 -5.746 1.00 43.03 C ATOM 730 C THR A 49 32.967 -7.939 -4.460 1.00 11.41 C ATOM 731 O THR A 49 32.167 -7.571 -3.601 1.00 40.24 O ATOM 732 CB THR A 49 32.285 -7.621 -6.904 1.00 0.23 C ATOM 733 OG1 THR A 49 30.998 -7.055 -6.675 1.00 65.43 O ATOM 734 CG2 THR A 49 32.147 -8.327 -8.254 1.00 63.33 C ATOM 0 H THR A 49 30.406 -8.851 -5.992 1.00 5.20 H new ATOM 0 HA THR A 49 33.249 -9.314 -6.026 1.00 43.03 H new ATOM 0 HB THR A 49 33.131 -6.935 -6.938 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.797 -6.405 -7.380 1.00 65.43 H new ATOM 0 HG21 THR A 49 32.017 -7.584 -9.041 1.00 63.33 H new ATOM 0 HG22 THR A 49 33.045 -8.912 -8.452 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.281 -8.988 -8.232 1.00 63.33 H new ATOM 742 N ALA A 50 34.281 -7.805 -4.369 1.00 63.11 N ATOM 743 CA ALA A 50 34.891 -7.192 -3.201 1.00 4.40 C ATOM 744 C ALA A 50 34.313 -5.789 -3.006 1.00 24.52 C ATOM 745 O ALA A 50 34.322 -5.258 -1.897 1.00 65.45 O ATOM 746 CB ALA A 50 36.412 -7.177 -3.367 1.00 22.44 C ATOM 0 H ALA A 50 34.941 -8.110 -5.084 1.00 63.11 H new ATOM 0 HA ALA A 50 34.666 -7.769 -2.304 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.869 -6.717 -2.491 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.777 -8.199 -3.472 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.675 -6.604 -4.256 1.00 22.44 H new ATOM 752 N ALA A 51 33.824 -5.227 -4.103 1.00 22.13 N ATOM 753 CA ALA A 51 33.243 -3.897 -4.068 1.00 24.51 C ATOM 754 C ALA A 51 32.012 -3.906 -3.159 1.00 32.14 C ATOM 755 O ALA A 51 31.895 -3.078 -2.257 1.00 53.32 O ATOM 756 CB ALA A 51 32.913 -3.445 -5.492 1.00 73.13 C ATOM 0 H ALA A 51 33.819 -5.670 -5.022 1.00 22.13 H new ATOM 0 HA ALA A 51 33.952 -3.180 -3.655 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.477 -2.446 -5.465 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.825 -3.427 -6.088 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.202 -4.140 -5.939 1.00 73.13 H new ATOM 762 N ASN A 52 31.125 -4.853 -3.428 1.00 72.12 N ATOM 763 CA ASN A 52 29.907 -4.982 -2.646 1.00 72.03 C ATOM 764 C ASN A 52 30.242 -5.593 -1.284 1.00 44.33 C ATOM 765 O ASN A 52 29.949 -5.003 -0.245 1.00 21.23 O ATOM 766 CB ASN A 52 28.901 -5.900 -3.342 1.00 71.24 C ATOM 767 CG ASN A 52 27.510 -5.760 -2.720 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.402 -6.302 -1.510 1.00 10.34 O flip ATOM 769 ND2 ASN A 52 26.595 -5.199 -3.300 1.00 51.41 N flip ATOM 0 H ASN A 52 31.226 -5.538 -4.177 1.00 72.12 H new ATOM 0 HA ASN A 52 29.472 -3.989 -2.534 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.855 -5.657 -4.403 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.235 -6.935 -3.266 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.746 -4.804 -4.228 1.00 51.41 H new ATOM 0 HD22 ASN A 52 25.679 -5.125 -2.857 1.00 51.41 H new ATOM 776 N LYS A 53 30.852 -6.768 -1.333 1.00 31.33 N ATOM 777 CA LYS A 53 31.232 -7.467 -0.116 1.00 23.25 C ATOM 778 C LYS A 53 31.785 -6.458 0.893 1.00 40.10 C ATOM 779 O LYS A 53 31.278 -6.350 2.009 1.00 44.44 O ATOM 780 CB LYS A 53 32.195 -8.612 -0.433 1.00 41.40 C ATOM 781 CG LYS A 53 32.075 -9.732 0.602 1.00 75.03 C ATOM 782 CD LYS A 53 33.405 -10.468 0.770 1.00 74.12 C ATOM 783 CE LYS A 53 33.199 -11.825 1.446 1.00 55.52 C ATOM 784 NZ LYS A 53 32.319 -11.686 2.628 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.093 -7.254 -2.197 1.00 31.33 H new ATOM 0 HA LYS A 53 30.361 -7.934 0.344 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.982 -9.006 -1.427 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.218 -8.237 -0.451 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.762 -9.315 1.559 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.302 -10.436 0.293 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.872 -10.610 -0.205 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.088 -9.861 1.365 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.759 -12.528 0.738 1.00 55.52 H new ATOM 0 HE3 LYS A 53 34.162 -12.237 1.748 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.441 -12.510 3.250 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 32.569 -10.820 3.147 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.328 -11.629 2.318 1.00 13.54 H new ATOM 797 N ASN A 54 32.818 -5.748 0.465 1.00 32.11 N ATOM 798 CA ASN A 54 33.446 -4.753 1.318 1.00 62.53 C ATOM 799 C ASN A 54 32.363 -3.966 2.059 1.00 21.52 C ATOM 800 O ASN A 54 32.492 -3.698 3.252 1.00 54.24 O ATOM 801 CB ASN A 54 34.270 -3.762 0.493 1.00 4.13 C ATOM 802 CG ASN A 54 35.710 -4.252 0.326 1.00 23.22 C ATOM 803 OD1 ASN A 54 36.310 -4.568 1.471 1.00 64.31 O flip ATOM 804 ND2 ASN A 54 36.241 -4.338 -0.768 1.00 31.23 N flip ATOM 0 H ASN A 54 33.236 -5.842 -0.461 1.00 32.11 H new ATOM 0 HA ASN A 54 34.101 -5.273 2.017 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.811 -3.629 -0.487 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.268 -2.787 0.981 1.00 4.13 H new ATOM 0 HD21 ASN A 54 35.723 -4.079 -1.608 1.00 31.23 H new ATOM 0 HD22 ASN A 54 37.203 -4.669 -0.843 1.00 31.23 H new ATOM 811 N LYS A 55 31.321 -3.615 1.319 1.00 3.10 N ATOM 812 CA LYS A 55 30.217 -2.863 1.891 1.00 52.01 C ATOM 813 C LYS A 55 29.799 -3.507 3.216 1.00 71.13 C ATOM 814 O LYS A 55 29.859 -4.726 3.363 1.00 34.34 O ATOM 815 CB LYS A 55 29.074 -2.739 0.881 1.00 61.43 C ATOM 816 CG LYS A 55 28.253 -1.474 1.137 1.00 35.11 C ATOM 817 CD LYS A 55 28.959 -0.238 0.574 1.00 31.33 C ATOM 818 CE LYS A 55 28.512 1.029 1.305 1.00 31.13 C ATOM 819 NZ LYS A 55 28.617 2.206 0.413 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.218 -3.837 0.329 1.00 3.10 H new ATOM 0 HA LYS A 55 30.527 -1.842 2.115 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.479 -2.716 -0.131 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.429 -3.615 0.947 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.269 -1.576 0.678 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.094 -1.350 2.208 1.00 35.11 H new ATOM 0 HD2 LYS A 55 30.038 -0.356 0.670 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.742 -0.144 -0.490 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.483 0.915 1.647 1.00 31.13 H new ATOM 0 HE3 LYS A 55 29.128 1.181 2.192 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.781 3.060 0.983 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.410 2.072 -0.246 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 27.734 2.313 -0.126 1.00 40.52 H new ATOM 832 N GLY A 56 29.385 -2.658 4.144 1.00 14.34 N ATOM 833 CA GLY A 56 28.959 -3.128 5.452 1.00 1.53 C ATOM 834 C GLY A 56 27.771 -2.311 5.966 1.00 71.44 C ATOM 835 O GLY A 56 27.929 -1.470 6.849 1.00 74.10 O ATOM 0 H GLY A 56 29.335 -1.647 4.017 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.683 -4.181 5.392 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.788 -3.055 6.157 1.00 1.53 H new ATOM 839 N ILE A 57 26.610 -2.590 5.394 1.00 74.01 N ATOM 840 CA ILE A 57 25.397 -1.892 5.784 1.00 43.32 C ATOM 841 C ILE A 57 24.191 -2.806 5.555 1.00 62.24 C ATOM 842 O ILE A 57 24.267 -3.755 4.777 1.00 3.42 O ATOM 843 CB ILE A 57 25.295 -0.548 5.060 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.250 -0.744 3.544 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.428 0.389 5.484 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.818 -0.996 3.065 1.00 32.33 C ATOM 0 H ILE A 57 26.483 -3.290 4.663 1.00 74.01 H new ATOM 0 HA ILE A 57 25.421 -1.654 6.847 1.00 43.32 H new ATOM 0 HB ILE A 57 24.358 -0.073 5.350 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.653 0.139 3.048 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.884 -1.585 3.264 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.333 1.337 4.955 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.372 0.565 6.558 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.388 -0.067 5.241 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.815 -1.132 1.984 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.426 -1.893 3.545 1.00 32.33 H new ATOM 0 HD13 ILE A 57 23.192 -0.143 3.325 1.00 32.33 H new ATOM 858 N ILE A 58 23.108 -2.489 6.248 1.00 34.44 N ATOM 859 CA ILE A 58 21.888 -3.269 6.130 1.00 71.13 C ATOM 860 C ILE A 58 20.955 -2.599 5.120 1.00 61.15 C ATOM 861 O ILE A 58 20.927 -1.374 5.011 1.00 1.32 O ATOM 862 CB ILE A 58 21.254 -3.483 7.506 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.266 -4.074 8.490 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.990 -4.339 7.400 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.412 -5.583 8.285 1.00 42.52 C ATOM 0 H ILE A 58 23.050 -1.702 6.894 1.00 34.44 H new ATOM 0 HA ILE A 58 22.108 -4.266 5.748 1.00 71.13 H new ATOM 0 HB ILE A 58 20.953 -2.512 7.898 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.234 -3.590 8.357 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.946 -3.871 9.512 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.559 -4.476 8.392 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.266 -3.841 6.755 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.243 -5.311 6.977 1.00 13.54 H new ATOM 0 HD11 ILE A 58 23.137 -5.978 8.997 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.448 -6.067 8.443 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.755 -5.781 7.270 1.00 42.52 H new ATOM 877 N TRP A 59 20.211 -3.432 4.406 1.00 12.43 N ATOM 878 CA TRP A 59 19.279 -2.937 3.409 1.00 31.13 C ATOM 879 C TRP A 59 17.968 -2.589 4.118 1.00 62.44 C ATOM 880 O TRP A 59 17.761 -2.971 5.268 1.00 4.32 O ATOM 881 CB TRP A 59 19.096 -3.950 2.278 1.00 3.14 C ATOM 882 CG TRP A 59 20.323 -4.106 1.377 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.107 -5.182 1.231 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.877 -3.104 0.498 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.123 -4.949 0.326 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.979 -3.645 -0.134 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.462 -1.785 0.245 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.755 -2.938 -1.058 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.249 -1.091 -0.682 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.360 -1.622 -1.326 1.00 62.15 C ATOM 0 H TRP A 59 20.236 -4.447 4.499 1.00 12.43 H new ATOM 0 HA TRP A 59 19.667 -2.037 2.933 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.849 -4.920 2.709 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.246 -3.647 1.667 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.962 -6.115 1.756 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.846 -5.612 0.046 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.604 -1.342 0.728 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.613 -3.383 -1.539 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.974 -0.072 -0.912 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.917 -1.022 -2.031 1.00 62.15 H new ATOM 901 N GLY A 60 17.118 -1.867 3.402 1.00 60.12 N ATOM 902 CA GLY A 60 15.834 -1.463 3.949 1.00 61.54 C ATOM 903 C GLY A 60 15.007 -0.708 2.907 1.00 2.44 C ATOM 904 O GLY A 60 15.201 -0.888 1.705 1.00 64.10 O ATOM 0 H GLY A 60 17.294 -1.552 2.448 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.285 -2.343 4.286 1.00 61.54 H new ATOM 0 HA3 GLY A 60 15.990 -0.830 4.823 1.00 61.54 H new ATOM 908 N GLU A 61 14.105 0.124 3.404 1.00 1.02 N ATOM 909 CA GLU A 61 13.248 0.908 2.531 1.00 43.51 C ATOM 910 C GLU A 61 13.915 2.244 2.192 1.00 54.24 C ATOM 911 O GLU A 61 13.606 2.854 1.170 1.00 64.13 O ATOM 912 CB GLU A 61 11.873 1.128 3.164 1.00 4.31 C ATOM 913 CG GLU A 61 10.920 -0.016 2.816 1.00 42.02 C ATOM 914 CD GLU A 61 9.842 -0.179 3.891 1.00 40.13 C ATOM 915 OE1 GLU A 61 10.165 -0.254 5.085 1.00 42.11 O ATOM 916 OE2 GLU A 61 8.632 -0.223 3.447 1.00 53.22 O1- ATOM 0 H GLU A 61 13.948 0.273 4.401 1.00 1.02 H new ATOM 0 HA GLU A 61 13.100 0.352 1.605 1.00 43.51 H new ATOM 0 HB2 GLU A 61 11.975 1.204 4.247 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.455 2.073 2.816 1.00 4.31 H new ATOM 0 HG2 GLU A 61 10.450 0.178 1.852 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.482 -0.945 2.716 1.00 42.02 H new ATOM 924 N ASP A 62 14.818 2.657 3.069 1.00 41.03 N ATOM 925 CA ASP A 62 15.531 3.907 2.876 1.00 11.04 C ATOM 926 C ASP A 62 16.794 3.648 2.050 1.00 64.11 C ATOM 927 O ASP A 62 16.957 4.206 0.967 1.00 4.51 O ATOM 928 CB ASP A 62 15.959 4.511 4.215 1.00 52.14 C ATOM 929 CG ASP A 62 16.056 6.038 4.235 1.00 62.42 C ATOM 930 OD1 ASP A 62 15.300 6.735 3.543 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.968 6.516 5.012 1.00 62.51 O1- ATOM 0 H ASP A 62 15.072 2.147 3.915 1.00 41.03 H new ATOM 0 HA ASP A 62 14.862 4.600 2.365 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.250 4.197 4.981 1.00 52.14 H new ATOM 0 HB3 ASP A 62 16.929 4.097 4.490 1.00 52.14 H new ATOM 937 N THR A 63 17.654 2.799 2.594 1.00 73.22 N ATOM 938 CA THR A 63 18.896 2.459 1.923 1.00 3.24 C ATOM 939 C THR A 63 18.631 2.107 0.458 1.00 11.02 C ATOM 940 O THR A 63 19.514 2.244 -0.387 1.00 1.20 O ATOM 941 CB THR A 63 19.563 1.327 2.707 1.00 40.22 C ATOM 942 OG1 THR A 63 18.503 0.410 2.965 1.00 4.21 O ATOM 943 CG2 THR A 63 20.018 1.769 4.099 1.00 44.33 C ATOM 0 H THR A 63 17.514 2.337 3.492 1.00 73.22 H new ATOM 0 HA THR A 63 19.580 3.308 1.904 1.00 3.24 H new ATOM 0 HB THR A 63 20.419 0.953 2.146 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.394 0.300 3.933 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.485 0.929 4.613 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.738 2.582 4.005 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.156 2.112 4.672 1.00 44.33 H new ATOM 951 N LEU A 64 17.410 1.663 0.200 1.00 10.45 N ATOM 952 CA LEU A 64 17.016 1.292 -1.148 1.00 43.40 C ATOM 953 C LEU A 64 16.515 2.533 -1.888 1.00 72.41 C ATOM 954 O LEU A 64 16.788 2.704 -3.076 1.00 42.34 O ATOM 955 CB LEU A 64 16.004 0.144 -1.114 1.00 75.52 C ATOM 956 CG LEU A 64 16.581 -1.252 -0.877 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.470 -2.262 -0.583 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.457 -1.690 -2.052 1.00 20.25 C ATOM 0 H LEU A 64 16.679 1.552 0.903 1.00 10.45 H new ATOM 0 HA LEU A 64 17.873 0.913 -1.705 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.275 0.352 -0.331 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.462 0.136 -2.060 1.00 75.52 H new ATOM 0 HG LEU A 64 17.221 -1.212 0.004 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.908 -3.247 -0.418 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.925 -1.954 0.309 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.785 -2.306 -1.430 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.855 -2.686 -1.858 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.860 -1.709 -2.964 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.281 -0.987 -2.173 1.00 20.25 H new ATOM 970 N MET A 65 15.790 3.366 -1.157 1.00 14.04 N ATOM 971 CA MET A 65 15.247 4.587 -1.730 1.00 64.51 C ATOM 972 C MET A 65 16.358 5.448 -2.336 1.00 44.11 C ATOM 973 O MET A 65 16.090 6.325 -3.156 1.00 35.15 O ATOM 974 CB MET A 65 14.520 5.381 -0.644 1.00 75.32 C ATOM 975 CG MET A 65 13.050 4.967 -0.555 1.00 12.54 C ATOM 976 SD MET A 65 12.072 5.938 -1.690 1.00 72.52 S ATOM 977 CE MET A 65 11.868 4.757 -3.013 1.00 71.41 C ATOM 0 H MET A 65 15.565 3.220 -0.173 1.00 14.04 H new ATOM 0 HA MET A 65 14.549 4.316 -2.522 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.006 5.218 0.318 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.589 6.447 -0.860 1.00 75.32 H new ATOM 0 HG2 MET A 65 12.947 3.907 -0.788 1.00 12.54 H new ATOM 0 HG3 MET A 65 12.686 5.106 0.463 1.00 12.54 H new ATOM 0 HE1 MET A 65 12.417 5.096 -3.891 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.252 3.787 -2.697 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.810 4.666 -3.259 1.00 71.41 H new ATOM 987 N GLU A 66 17.580 5.169 -1.907 1.00 20.23 N ATOM 988 CA GLU A 66 18.731 5.908 -2.396 1.00 4.35 C ATOM 989 C GLU A 66 19.490 5.081 -3.435 1.00 12.41 C ATOM 990 O GLU A 66 20.043 5.630 -4.387 1.00 31.41 O ATOM 991 CB GLU A 66 19.651 6.318 -1.243 1.00 2.12 C ATOM 992 CG GLU A 66 21.023 6.751 -1.764 1.00 74.21 C ATOM 993 CD GLU A 66 21.906 7.259 -0.623 1.00 11.01 C ATOM 994 OE1 GLU A 66 22.948 6.654 -0.328 1.00 62.03 O ATOM 995 OE2 GLU A 66 21.478 8.323 -0.034 1.00 61.41 O1- ATOM 0 H GLU A 66 17.798 4.441 -1.226 1.00 20.23 H new ATOM 0 HA GLU A 66 18.375 6.820 -2.875 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.196 7.135 -0.683 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.767 5.484 -0.551 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.510 5.911 -2.259 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.902 7.535 -2.512 1.00 74.21 H new ATOM 1003 N TYR A 67 19.493 3.774 -3.218 1.00 2.54 N ATOM 1004 CA TYR A 67 20.175 2.866 -4.124 1.00 70.14 C ATOM 1005 C TYR A 67 19.448 2.783 -5.468 1.00 15.44 C ATOM 1006 O TYR A 67 20.014 3.122 -6.505 1.00 20.34 O ATOM 1007 CB TYR A 67 20.135 1.491 -3.452 1.00 71.01 C ATOM 1008 CG TYR A 67 20.993 0.433 -4.148 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.282 0.737 -4.538 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.478 -0.824 -4.388 1.00 73.53 C ATOM 1011 CE1 TYR A 67 23.089 -0.259 -5.193 1.00 12.44 C ATOM 1012 CE2 TYR A 67 21.285 -1.820 -5.044 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.551 -1.489 -5.414 1.00 70.00 C ATOM 1014 OH TYR A 67 23.314 -2.429 -6.034 1.00 1.15 O ATOM 0 H TYR A 67 19.034 3.322 -2.427 1.00 2.54 H new ATOM 0 HA TYR A 67 21.192 3.209 -4.317 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.469 1.593 -2.419 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.102 1.143 -3.420 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.685 1.722 -4.352 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.469 -1.061 -4.084 1.00 73.53 H new ATOM 0 HE1 TYR A 67 24.099 -0.035 -5.502 1.00 12.44 H new ATOM 0 HE2 TYR A 67 20.894 -2.808 -5.238 1.00 50.13 H new ATOM 0 HH TYR A 67 24.259 -2.274 -5.824 1.00 1.15 H new ATOM 1024 N LEU A 68 18.203 2.332 -5.406 1.00 3.24 N ATOM 1025 CA LEU A 68 17.394 2.202 -6.604 1.00 35.25 C ATOM 1026 C LEU A 68 17.600 3.432 -7.491 1.00 53.11 C ATOM 1027 O LEU A 68 17.712 3.311 -8.710 1.00 15.43 O ATOM 1028 CB LEU A 68 15.930 1.947 -6.238 1.00 63.11 C ATOM 1029 CG LEU A 68 15.637 0.625 -5.525 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.224 0.132 -5.842 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.698 -0.425 -5.861 1.00 71.44 C ATOM 0 H LEU A 68 17.736 2.052 -4.544 1.00 3.24 H new ATOM 0 HA LEU A 68 17.710 1.334 -7.183 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.588 2.763 -5.602 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.336 1.984 -7.151 1.00 63.11 H new ATOM 0 HG LEU A 68 15.684 0.799 -4.450 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.042 -0.809 -5.323 1.00 12.31 H new ATOM 0 HD12 LEU A 68 13.497 0.875 -5.513 1.00 12.31 H new ATOM 0 HD13 LEU A 68 14.125 -0.022 -6.917 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.467 -1.355 -5.342 1.00 71.44 H new ATOM 0 HD22 LEU A 68 16.707 -0.602 -6.936 1.00 71.44 H new ATOM 0 HD23 LEU A 68 17.678 -0.067 -5.544 1.00 71.44 H new ATOM 1043 N GLU A 69 17.645 4.587 -6.843 1.00 15.25 N ATOM 1044 CA GLU A 69 17.836 5.837 -7.558 1.00 72.12 C ATOM 1045 C GLU A 69 19.102 5.770 -8.417 1.00 22.31 C ATOM 1046 O GLU A 69 19.085 6.158 -9.584 1.00 70.33 O ATOM 1047 CB GLU A 69 17.894 7.019 -6.588 1.00 51.12 C ATOM 1048 CG GLU A 69 18.444 8.269 -7.280 1.00 33.34 C ATOM 1049 CD GLU A 69 17.494 8.751 -8.378 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.574 8.276 -9.520 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.647 9.652 -8.009 1.00 3.24 O1- ATOM 0 H GLU A 69 17.553 4.683 -5.832 1.00 15.25 H new ATOM 0 HA GLU A 69 16.981 5.991 -8.217 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.897 7.224 -6.198 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.523 6.764 -5.735 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.589 9.061 -6.546 1.00 33.34 H new ATOM 0 HG3 GLU A 69 19.421 8.051 -7.710 1.00 33.34 H new ATOM 1059 N ASN A 70 20.166 5.274 -7.805 1.00 1.34 N ATOM 1060 CA ASN A 70 21.438 5.152 -8.499 1.00 62.35 C ATOM 1061 C ASN A 70 22.279 4.065 -7.825 1.00 55.43 C ATOM 1062 O ASN A 70 23.217 4.369 -7.091 1.00 45.53 O ATOM 1063 CB ASN A 70 22.225 6.462 -8.443 1.00 44.13 C ATOM 1064 CG ASN A 70 21.935 7.221 -7.147 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.929 6.665 -6.060 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.695 8.517 -7.321 1.00 0.54 N ATOM 0 H ASN A 70 20.175 4.952 -6.837 1.00 1.34 H new ATOM 0 HA ASN A 70 21.232 4.901 -9.539 1.00 62.35 H new ATOM 0 HB2 ASN A 70 23.292 6.253 -8.515 1.00 44.13 H new ATOM 0 HB3 ASN A 70 21.964 7.084 -9.299 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.490 9.110 -6.517 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.716 8.918 -8.259 1.00 0.54 H new ATOM 1073 N PRO A 71 21.902 2.789 -8.107 1.00 54.04 N ATOM 1074 CA PRO A 71 22.611 1.657 -7.536 1.00 32.44 C ATOM 1075 C PRO A 71 23.959 1.448 -8.228 1.00 41.31 C ATOM 1076 O PRO A 71 24.740 0.586 -7.828 1.00 74.34 O ATOM 1077 CB PRO A 71 21.668 0.477 -7.705 1.00 13.22 C ATOM 1078 CG PRO A 71 20.669 0.891 -8.773 1.00 74.42 C ATOM 1079 CD PRO A 71 20.796 2.392 -8.972 1.00 62.30 C ATOM 0 HA PRO A 71 22.861 1.804 -6.485 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.213 -0.418 -8.006 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.163 0.243 -6.768 1.00 13.22 H new ATOM 0 HG2 PRO A 71 20.867 0.364 -9.706 1.00 74.42 H new ATOM 0 HG3 PRO A 71 19.655 0.631 -8.469 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.001 2.637 -10.014 1.00 62.30 H new ATOM 0 HD3 PRO A 71 19.875 2.907 -8.698 1.00 62.30 H new ATOM 1087 N LYS A 72 24.192 2.252 -9.256 1.00 40.44 N ATOM 1088 CA LYS A 72 25.432 2.166 -10.008 1.00 22.32 C ATOM 1089 C LYS A 72 26.475 3.084 -9.368 1.00 63.53 C ATOM 1090 O LYS A 72 27.675 2.896 -9.562 1.00 45.42 O ATOM 1091 CB LYS A 72 25.181 2.457 -11.489 1.00 54.30 C ATOM 1092 CG LYS A 72 24.967 3.954 -11.725 1.00 41.01 C ATOM 1093 CD LYS A 72 25.750 4.435 -12.948 1.00 72.43 C ATOM 1094 CE LYS A 72 27.151 4.905 -12.552 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.047 4.916 -13.730 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.542 2.966 -9.585 1.00 40.44 H new ATOM 0 HA LYS A 72 25.832 1.153 -9.970 1.00 22.32 H new ATOM 0 HB2 LYS A 72 26.028 2.109 -12.080 1.00 54.30 H new ATOM 0 HB3 LYS A 72 24.306 1.903 -11.829 1.00 54.30 H new ATOM 0 HG2 LYS A 72 23.905 4.155 -11.867 1.00 41.01 H new ATOM 0 HG3 LYS A 72 25.282 4.513 -10.844 1.00 41.01 H new ATOM 0 HD2 LYS A 72 25.826 3.628 -13.676 1.00 72.43 H new ATOM 0 HD3 LYS A 72 25.212 5.251 -13.431 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.097 5.904 -12.120 1.00 51.53 H new ATOM 0 HE3 LYS A 72 27.558 4.247 -11.784 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.994 5.237 -13.443 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 28.112 3.956 -14.125 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.666 5.562 -14.450 1.00 51.14 H new ATOM 1108 N LYS A 73 25.980 4.057 -8.618 1.00 4.23 N ATOM 1109 CA LYS A 73 26.854 5.006 -7.949 1.00 34.14 C ATOM 1110 C LYS A 73 27.154 4.506 -6.534 1.00 2.10 C ATOM 1111 O LYS A 73 28.239 4.739 -6.005 1.00 35.44 O ATOM 1112 CB LYS A 73 26.252 6.412 -7.990 1.00 1.20 C ATOM 1113 CG LYS A 73 25.316 6.642 -6.803 1.00 32.13 C ATOM 1114 CD LYS A 73 26.050 7.335 -5.652 1.00 55.50 C ATOM 1115 CE LYS A 73 25.283 7.174 -4.338 1.00 5.11 C ATOM 1116 NZ LYS A 73 25.997 7.855 -3.235 1.00 51.34 N1+ ATOM 0 H LYS A 73 24.984 4.209 -8.458 1.00 4.23 H new ATOM 0 HA LYS A 73 27.808 5.079 -8.471 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.050 7.154 -7.977 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.704 6.550 -8.922 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.468 7.250 -7.117 1.00 32.13 H new ATOM 0 HG3 LYS A 73 24.915 5.688 -6.461 1.00 32.13 H new ATOM 0 HD2 LYS A 73 27.050 6.914 -5.548 1.00 55.50 H new ATOM 0 HD3 LYS A 73 26.172 8.394 -5.879 1.00 55.50 H new ATOM 0 HE2 LYS A 73 24.281 7.590 -4.442 1.00 5.11 H new ATOM 0 HE3 LYS A 73 25.167 6.116 -4.105 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 25.463 7.736 -2.350 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.944 7.440 -3.126 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.086 8.868 -3.452 1.00 51.34 H new ATOM 1129 N TYR A 74 26.170 3.827 -5.961 1.00 21.02 N ATOM 1130 CA TYR A 74 26.313 3.293 -4.617 1.00 11.41 C ATOM 1131 C TYR A 74 27.445 2.264 -4.555 1.00 42.23 C ATOM 1132 O TYR A 74 28.243 2.271 -3.620 1.00 73.43 O ATOM 1133 CB TYR A 74 24.989 2.597 -4.296 1.00 34.24 C ATOM 1134 CG TYR A 74 24.742 2.390 -2.801 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.678 1.729 -2.031 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.583 2.864 -2.221 1.00 0.20 C ATOM 1137 CE1 TYR A 74 25.445 1.534 -0.623 1.00 30.14 C ATOM 1138 CE2 TYR A 74 23.349 2.669 -0.814 1.00 65.02 C ATOM 1139 CZ TYR A 74 24.292 2.013 -0.084 1.00 60.53 C ATOM 1140 OH TYR A 74 24.073 1.829 1.245 1.00 63.13 O ATOM 0 H TYR A 74 25.271 3.635 -6.403 1.00 21.02 H new ATOM 0 HA TYR A 74 26.548 4.089 -3.910 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.171 3.186 -4.711 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.969 1.628 -4.795 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.585 1.358 -2.484 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.851 3.382 -2.823 1.00 0.20 H new ATOM 0 HE1 TYR A 74 26.169 1.019 -0.009 1.00 30.14 H new ATOM 0 HE2 TYR A 74 22.446 3.035 -0.348 1.00 65.02 H new ATOM 0 HH TYR A 74 23.211 2.224 1.492 1.00 63.13 H new ATOM 1150 N ILE A 75 27.476 1.405 -5.562 1.00 35.22 N ATOM 1151 CA ILE A 75 28.496 0.372 -5.633 1.00 2.31 C ATOM 1152 C ILE A 75 28.981 0.240 -7.079 1.00 30.40 C ATOM 1153 O ILE A 75 28.430 -0.539 -7.854 1.00 3.45 O ATOM 1154 CB ILE A 75 27.975 -0.938 -5.038 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.194 -0.681 -3.747 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.114 -1.937 -4.830 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.725 -1.995 -3.120 1.00 1.01 C ATOM 0 H ILE A 75 26.812 1.402 -6.336 1.00 35.22 H new ATOM 0 HA ILE A 75 29.360 0.648 -5.029 1.00 2.31 H new ATOM 0 HB ILE A 75 27.282 -1.385 -5.750 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.822 -0.140 -3.039 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.333 -0.047 -3.959 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.716 -2.859 -4.406 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.588 -2.153 -5.787 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.850 -1.512 -4.148 1.00 52.55 H new ATOM 0 HD11 ILE A 75 26.173 -1.784 -2.204 1.00 1.01 H new ATOM 0 HD12 ILE A 75 26.078 -2.522 -3.821 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.590 -2.616 -2.887 1.00 1.01 H new ATOM 1169 N PRO A 76 30.037 1.034 -7.405 1.00 75.43 N ATOM 1170 CA PRO A 76 30.603 1.012 -8.743 1.00 60.41 C ATOM 1171 C PRO A 76 31.439 -0.249 -8.965 1.00 71.21 C ATOM 1172 O PRO A 76 32.192 -0.662 -8.085 1.00 23.43 O ATOM 1173 CB PRO A 76 31.419 2.291 -8.845 1.00 52.32 C ATOM 1174 CG PRO A 76 31.658 2.748 -7.415 1.00 32.44 C ATOM 1175 CD PRO A 76 30.716 1.968 -6.512 1.00 2.31 C ATOM 0 HA PRO A 76 29.841 0.977 -9.521 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.362 2.112 -9.361 1.00 52.32 H new ATOM 0 HB3 PRO A 76 30.884 3.051 -9.414 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.695 2.573 -7.127 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.477 3.819 -7.321 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.263 1.442 -5.729 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.006 2.629 -6.015 1.00 2.31 H new ATOM 1183 N GLY A 77 31.279 -0.826 -10.147 1.00 41.14 N ATOM 1184 CA GLY A 77 32.010 -2.032 -10.495 1.00 61.20 C ATOM 1185 C GLY A 77 31.264 -3.281 -10.023 1.00 2.42 C ATOM 1186 O GLY A 77 31.815 -4.381 -10.040 1.00 31.14 O ATOM 0 H GLY A 77 30.654 -0.481 -10.875 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.153 -2.076 -11.575 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.001 -2.004 -10.043 1.00 61.20 H new ATOM 1190 N THR A 78 30.022 -3.070 -9.614 1.00 45.32 N ATOM 1191 CA THR A 78 29.194 -4.166 -9.137 1.00 52.32 C ATOM 1192 C THR A 78 28.791 -5.075 -10.300 1.00 15.00 C ATOM 1193 O THR A 78 28.999 -4.729 -11.463 1.00 74.51 O ATOM 1194 CB THR A 78 28.000 -3.567 -8.393 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.243 -4.702 -7.981 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.054 -2.804 -9.321 1.00 71.52 C ATOM 0 H THR A 78 29.568 -2.157 -9.603 1.00 45.32 H new ATOM 0 HA THR A 78 29.742 -4.803 -8.443 1.00 52.32 H new ATOM 0 HB THR A 78 28.359 -2.897 -7.611 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.300 -4.566 -8.209 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.224 -2.399 -8.742 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.594 -1.987 -9.800 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.668 -3.481 -10.084 1.00 71.52 H new ATOM 1204 N LYS A 79 28.222 -6.217 -9.947 1.00 35.35 N ATOM 1205 CA LYS A 79 27.788 -7.178 -10.947 1.00 23.13 C ATOM 1206 C LYS A 79 26.493 -6.684 -11.595 1.00 32.14 C ATOM 1207 O LYS A 79 26.219 -6.989 -12.755 1.00 61.34 O ATOM 1208 CB LYS A 79 27.674 -8.575 -10.334 1.00 4.04 C ATOM 1209 CG LYS A 79 28.984 -8.985 -9.659 1.00 33.42 C ATOM 1210 CD LYS A 79 29.150 -10.507 -9.663 1.00 24.30 C ATOM 1211 CE LYS A 79 30.294 -10.936 -8.743 1.00 10.21 C ATOM 1212 NZ LYS A 79 31.584 -10.901 -9.468 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.051 -6.499 -8.982 1.00 35.35 H new ATOM 0 HA LYS A 79 28.530 -7.263 -11.741 1.00 23.13 H new ATOM 0 HB2 LYS A 79 26.864 -8.591 -9.605 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.419 -9.297 -11.110 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.824 -8.523 -10.177 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.000 -8.617 -8.633 1.00 33.42 H new ATOM 0 HD2 LYS A 79 28.222 -10.978 -9.339 1.00 24.30 H new ATOM 0 HD3 LYS A 79 29.346 -10.852 -10.678 1.00 24.30 H new ATOM 0 HE2 LYS A 79 30.339 -10.276 -7.877 1.00 10.21 H new ATOM 0 HE3 LYS A 79 30.108 -11.942 -8.367 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 32.367 -10.892 -8.783 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 31.664 -11.742 -10.075 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 31.629 -10.044 -10.056 1.00 45.34 H new ATOM 1225 N MET A 80 25.731 -5.928 -10.818 1.00 75.05 N ATOM 1226 CA MET A 80 24.471 -5.388 -11.301 1.00 44.10 C ATOM 1227 C MET A 80 24.616 -4.850 -12.726 1.00 15.21 C ATOM 1228 O MET A 80 25.566 -4.129 -13.028 1.00 11.50 O ATOM 1229 CB MET A 80 24.010 -4.262 -10.374 1.00 41.23 C ATOM 1230 CG MET A 80 22.485 -4.131 -10.388 1.00 12.33 C ATOM 1231 SD MET A 80 21.773 -5.169 -9.124 1.00 55.50 S ATOM 1232 CE MET A 80 21.503 -3.956 -7.842 1.00 4.13 C ATOM 0 H MET A 80 25.962 -5.677 -9.857 1.00 75.05 H new ATOM 0 HA MET A 80 23.732 -6.189 -11.309 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.353 -4.459 -9.358 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.463 -3.321 -10.686 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.199 -3.092 -10.221 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.096 -4.415 -11.366 1.00 12.33 H new ATOM 0 HE1 MET A 80 21.993 -4.281 -6.924 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.917 -2.998 -8.155 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.433 -3.848 -7.663 1.00 4.13 H new ATOM 1242 N ILE A 81 23.661 -5.223 -13.564 1.00 73.13 N ATOM 1243 CA ILE A 81 23.669 -4.787 -14.951 1.00 63.41 C ATOM 1244 C ILE A 81 22.589 -3.723 -15.154 1.00 63.43 C ATOM 1245 O ILE A 81 22.718 -2.859 -16.019 1.00 21.32 O ATOM 1246 CB ILE A 81 23.535 -5.987 -15.891 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.841 -6.780 -15.958 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.058 -5.547 -17.276 1.00 43.10 C ATOM 1249 CD1 ILE A 81 24.718 -7.957 -16.928 1.00 64.30 C ATOM 0 H ILE A 81 22.876 -5.822 -13.310 1.00 73.13 H new ATOM 0 HA ILE A 81 24.624 -4.323 -15.198 1.00 63.41 H new ATOM 0 HB ILE A 81 22.775 -6.655 -15.486 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.652 -6.125 -16.276 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.099 -7.148 -14.965 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.971 -6.419 -17.925 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.086 -5.061 -17.189 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.776 -4.847 -17.703 1.00 43.10 H new ATOM 0 HD11 ILE A 81 25.660 -8.504 -16.957 1.00 64.30 H new ATOM 0 HD12 ILE A 81 23.922 -8.622 -16.594 1.00 64.30 H new ATOM 0 HD13 ILE A 81 24.484 -7.584 -17.925 1.00 64.30 H new ATOM 1261 N PHE A 82 21.547 -3.820 -14.340 1.00 51.30 N ATOM 1262 CA PHE A 82 20.446 -2.876 -14.419 1.00 2.04 C ATOM 1263 C PHE A 82 20.931 -1.444 -14.178 1.00 11.53 C ATOM 1264 O PHE A 82 22.054 -1.235 -13.721 1.00 33.35 O ATOM 1265 CB PHE A 82 19.452 -3.257 -13.320 1.00 11.41 C ATOM 1266 CG PHE A 82 18.331 -2.235 -13.115 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.409 -2.030 -14.093 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.258 -1.532 -11.953 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.370 -1.083 -13.901 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.218 -0.584 -11.760 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.295 -0.379 -12.739 1.00 52.30 C ATOM 0 H PHE A 82 21.443 -4.538 -13.623 1.00 51.30 H new ATOM 0 HA PHE A 82 19.993 -2.915 -15.410 1.00 2.04 H new ATOM 0 HB2 PHE A 82 19.009 -4.223 -13.563 1.00 11.41 H new ATOM 0 HB3 PHE A 82 19.993 -3.381 -12.382 1.00 11.41 H new ATOM 0 HD1 PHE A 82 17.467 -2.588 -15.016 1.00 64.53 H new ATOM 0 HD2 PHE A 82 18.991 -1.695 -11.177 1.00 24.33 H new ATOM 0 HE1 PHE A 82 15.638 -0.921 -14.678 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.160 -0.026 -10.837 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.504 0.342 -12.594 1.00 52.30 H new ATOM 1281 N VAL A 83 20.061 -0.498 -14.495 1.00 11.14 N ATOM 1282 CA VAL A 83 20.386 0.907 -14.319 1.00 50.45 C ATOM 1283 C VAL A 83 19.383 1.542 -13.355 1.00 64.23 C ATOM 1284 O VAL A 83 18.189 1.252 -13.416 1.00 22.41 O ATOM 1285 CB VAL A 83 20.434 1.608 -15.678 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.594 1.082 -16.526 1.00 12.30 C ATOM 1287 CG2 VAL A 83 19.103 1.461 -16.418 1.00 22.20 C ATOM 0 H VAL A 83 19.131 -0.676 -14.873 1.00 11.14 H new ATOM 0 HA VAL A 83 21.376 1.016 -13.877 1.00 50.45 H new ATOM 0 HB VAL A 83 20.603 2.670 -15.501 1.00 72.20 H new ATOM 0 HG11 VAL A 83 21.605 1.597 -17.487 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.535 1.262 -16.007 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.469 0.012 -16.690 1.00 12.30 H new ATOM 0 HG21 VAL A 83 19.164 1.968 -17.381 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.890 0.404 -16.578 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.305 1.906 -15.823 1.00 22.20 H new ATOM 1297 N GLY A 84 19.903 2.396 -12.486 1.00 42.12 N ATOM 1298 CA GLY A 84 19.068 3.074 -11.510 1.00 22.32 C ATOM 1299 C GLY A 84 17.726 3.480 -12.124 1.00 4.23 C ATOM 1300 O GLY A 84 17.620 3.644 -13.338 1.00 44.21 O ATOM 0 H GLY A 84 20.894 2.634 -12.438 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.898 2.420 -10.655 1.00 22.32 H new ATOM 0 HA3 GLY A 84 19.584 3.959 -11.137 1.00 22.32 H new ATOM 1304 N ILE A 85 16.736 3.631 -11.257 1.00 0.21 N ATOM 1305 CA ILE A 85 15.407 4.014 -11.698 1.00 22.34 C ATOM 1306 C ILE A 85 15.352 5.533 -11.877 1.00 73.43 C ATOM 1307 O ILE A 85 16.238 6.248 -11.414 1.00 55.21 O ATOM 1308 CB ILE A 85 14.346 3.469 -10.740 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.392 1.940 -10.683 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.954 3.987 -11.110 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.390 1.399 -9.661 1.00 71.13 C ATOM 0 H ILE A 85 16.828 3.495 -10.250 1.00 0.21 H new ATOM 0 HA ILE A 85 15.185 3.570 -12.668 1.00 22.34 H new ATOM 0 HB ILE A 85 14.570 3.836 -9.738 1.00 13.11 H new ATOM 0 HG12 ILE A 85 14.170 1.529 -11.668 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.398 1.612 -10.420 1.00 31.10 H new ATOM 0 HG21 ILE A 85 12.219 3.584 -10.413 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.945 5.076 -11.058 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.705 3.670 -12.123 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.443 0.310 -9.640 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.629 1.793 -8.673 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.383 1.708 -9.940 1.00 71.13 H new ATOM 1323 N LYS A 86 14.301 5.980 -12.550 1.00 70.13 N ATOM 1324 CA LYS A 86 14.118 7.400 -12.796 1.00 52.41 C ATOM 1325 C LYS A 86 12.953 7.915 -11.949 1.00 72.24 C ATOM 1326 O LYS A 86 13.002 9.028 -11.430 1.00 12.14 O ATOM 1327 CB LYS A 86 13.956 7.668 -14.293 1.00 14.22 C ATOM 1328 CG LYS A 86 12.558 7.272 -14.772 1.00 24.43 C ATOM 1329 CD LYS A 86 12.461 7.340 -16.298 1.00 71.23 C ATOM 1330 CE LYS A 86 11.990 8.721 -16.756 1.00 51.35 C ATOM 1331 NZ LYS A 86 12.329 8.937 -18.181 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.568 5.383 -12.932 1.00 70.13 H new ATOM 0 HA LYS A 86 15.004 7.956 -12.490 1.00 52.41 H new ATOM 0 HB2 LYS A 86 14.129 8.725 -14.498 1.00 14.22 H new ATOM 0 HB3 LYS A 86 14.707 7.108 -14.850 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.327 6.262 -14.434 1.00 24.43 H new ATOM 0 HG3 LYS A 86 11.816 7.935 -14.327 1.00 24.43 H new ATOM 0 HD2 LYS A 86 13.433 7.119 -16.738 1.00 71.23 H new ATOM 0 HD3 LYS A 86 11.769 6.578 -16.656 1.00 71.23 H new ATOM 0 HE2 LYS A 86 10.913 8.810 -16.615 1.00 51.35 H new ATOM 0 HE3 LYS A 86 12.457 9.493 -16.144 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 12.003 9.879 -18.477 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 13.359 8.873 -18.306 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 11.863 8.211 -18.762 1.00 32.04 H new ATOM 1344 N LYS A 87 11.932 7.078 -11.834 1.00 51.43 N ATOM 1345 CA LYS A 87 10.756 7.434 -11.059 1.00 71.11 C ATOM 1346 C LYS A 87 10.912 6.903 -9.632 1.00 30.25 C ATOM 1347 O LYS A 87 11.479 5.833 -9.422 1.00 52.34 O ATOM 1348 CB LYS A 87 9.486 6.949 -11.760 1.00 51.42 C ATOM 1349 CG LYS A 87 9.169 7.814 -12.982 1.00 42.12 C ATOM 1350 CD LYS A 87 7.758 7.534 -13.503 1.00 3.45 C ATOM 1351 CE LYS A 87 7.382 8.511 -14.618 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.842 8.003 -15.930 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.895 6.154 -12.265 1.00 51.43 H new ATOM 0 HA LYS A 87 10.659 8.517 -10.988 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.610 5.911 -12.067 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.648 6.977 -11.063 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.261 8.868 -12.719 1.00 42.12 H new ATOM 0 HG3 LYS A 87 9.897 7.617 -13.769 1.00 42.12 H new ATOM 0 HD2 LYS A 87 7.700 6.511 -13.876 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.042 7.616 -12.686 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.302 8.654 -14.635 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.829 9.485 -14.422 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 7.579 8.678 -16.676 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.876 7.889 -15.915 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 7.395 7.084 -16.122 1.00 2.13 H new ATOM 1365 N LYS A 88 10.396 7.678 -8.688 1.00 73.34 N ATOM 1366 CA LYS A 88 10.470 7.300 -7.287 1.00 10.55 C ATOM 1367 C LYS A 88 9.236 6.475 -6.919 1.00 15.32 C ATOM 1368 O LYS A 88 9.329 5.517 -6.155 1.00 51.24 O ATOM 1369 CB LYS A 88 10.670 8.536 -6.408 1.00 73.43 C ATOM 1370 CG LYS A 88 9.401 9.390 -6.368 1.00 35.34 C ATOM 1371 CD LYS A 88 9.726 10.839 -5.999 1.00 1.31 C ATOM 1372 CE LYS A 88 10.679 10.900 -4.805 1.00 44.14 C ATOM 1373 NZ LYS A 88 9.998 10.440 -3.573 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.925 8.565 -8.866 1.00 73.34 H new ATOM 0 HA LYS A 88 11.340 6.668 -7.109 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.938 8.229 -5.397 1.00 73.43 H new ATOM 0 HB3 LYS A 88 11.500 9.129 -6.791 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.908 9.360 -7.340 1.00 35.34 H new ATOM 0 HG3 LYS A 88 8.702 8.974 -5.643 1.00 35.34 H new ATOM 0 HD2 LYS A 88 10.176 11.344 -6.854 1.00 1.31 H new ATOM 0 HD3 LYS A 88 8.806 11.373 -5.762 1.00 1.31 H new ATOM 0 HE2 LYS A 88 11.553 10.278 -4.998 1.00 44.14 H new ATOM 0 HE3 LYS A 88 11.037 11.921 -4.670 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 10.660 10.488 -2.772 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 9.178 11.050 -3.381 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 9.678 9.459 -3.699 1.00 21.31 H new ATOM 1386 N GLU A 89 8.106 6.880 -7.481 1.00 4.13 N ATOM 1387 CA GLU A 89 6.853 6.191 -7.221 1.00 30.31 C ATOM 1388 C GLU A 89 6.972 4.714 -7.601 1.00 34.03 C ATOM 1389 O GLU A 89 6.238 3.874 -7.080 1.00 20.11 O ATOM 1390 CB GLU A 89 5.696 6.857 -7.969 1.00 13.22 C ATOM 1391 CG GLU A 89 5.163 8.063 -7.191 1.00 72.24 C ATOM 1392 CD GLU A 89 3.861 8.580 -7.806 1.00 43.14 C ATOM 1393 OE1 GLU A 89 3.212 7.860 -8.579 1.00 43.15 O ATOM 1394 OE2 GLU A 89 3.529 9.776 -7.453 1.00 73.44 O1- ATOM 0 H GLU A 89 8.032 7.676 -8.115 1.00 4.13 H new ATOM 0 HA GLU A 89 6.639 6.256 -6.154 1.00 30.31 H new ATOM 0 HB2 GLU A 89 6.032 7.176 -8.956 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.894 6.135 -8.123 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.992 7.783 -6.151 1.00 72.24 H new ATOM 0 HG3 GLU A 89 5.909 8.858 -7.189 1.00 72.24 H new ATOM 1402 N GLU A 90 7.900 4.440 -8.506 1.00 5.05 N ATOM 1403 CA GLU A 90 8.124 3.078 -8.961 1.00 64.24 C ATOM 1404 C GLU A 90 9.057 2.343 -7.997 1.00 42.35 C ATOM 1405 O GLU A 90 9.049 1.115 -7.935 1.00 45.31 O ATOM 1406 CB GLU A 90 8.682 3.061 -10.386 1.00 25.43 C ATOM 1407 CG GLU A 90 7.705 3.713 -11.365 1.00 31.10 C ATOM 1408 CD GLU A 90 6.291 3.159 -11.181 1.00 25.43 C ATOM 1409 OE1 GLU A 90 5.946 2.129 -11.780 1.00 53.11 O ATOM 1410 OE2 GLU A 90 5.539 3.837 -10.382 1.00 24.22 O1- ATOM 0 H GLU A 90 8.506 5.138 -8.937 1.00 5.05 H new ATOM 0 HA GLU A 90 7.166 2.558 -8.975 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.636 3.588 -10.413 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.877 2.033 -10.692 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.699 4.792 -11.213 1.00 31.10 H new ATOM 0 HG3 GLU A 90 8.038 3.537 -12.388 1.00 31.10 H new ATOM 1418 N ARG A 91 9.839 3.126 -7.269 1.00 31.35 N ATOM 1419 CA ARG A 91 10.777 2.565 -6.310 1.00 20.15 C ATOM 1420 C ARG A 91 10.030 2.036 -5.085 1.00 3.32 C ATOM 1421 O ARG A 91 10.402 1.005 -4.524 1.00 1.04 O ATOM 1422 CB ARG A 91 11.800 3.611 -5.863 1.00 14.11 C ATOM 1423 CG ARG A 91 12.777 3.940 -6.993 1.00 42.25 C ATOM 1424 CD ARG A 91 13.624 5.166 -6.646 1.00 41.32 C ATOM 1425 NE ARG A 91 13.992 5.894 -7.881 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.439 7.167 -7.904 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.577 7.866 -6.758 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.739 7.718 -9.066 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.843 4.145 -7.323 1.00 31.35 H new ATOM 0 HA ARG A 91 11.303 1.746 -6.801 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.284 4.518 -5.548 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.350 3.240 -4.998 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.427 3.085 -7.177 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.224 4.124 -7.914 1.00 42.25 H new ATOM 0 HD2 ARG A 91 13.069 5.824 -5.978 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.524 4.858 -6.114 1.00 41.32 H new ATOM 0 HE ARG A 91 13.902 5.403 -8.770 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.343 7.433 -5.865 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.916 8.828 -6.785 1.00 41.21 H new ATOM 0 HH21 ARG A 91 14.631 7.182 -9.927 1.00 32.24 H new ATOM 0 HH22 ARG A 91 15.078 8.679 -9.102 1.00 32.24 H new ATOM 1441 N ALA A 92 8.989 2.761 -4.706 1.00 43.14 N ATOM 1442 CA ALA A 92 8.186 2.378 -3.558 1.00 61.50 C ATOM 1443 C ALA A 92 7.383 1.121 -3.898 1.00 12.24 C ATOM 1444 O ALA A 92 7.402 0.147 -3.148 1.00 11.23 O ATOM 1445 CB ALA A 92 7.290 3.548 -3.147 1.00 62.14 C ATOM 0 H ALA A 92 8.682 3.614 -5.175 1.00 43.14 H new ATOM 0 HA ALA A 92 8.824 2.141 -2.707 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.688 3.260 -2.285 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.909 4.406 -2.886 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.634 3.813 -3.976 1.00 62.14 H new ATOM 1451 N ASP A 93 6.700 1.183 -5.032 1.00 75.33 N ATOM 1452 CA ASP A 93 5.894 0.061 -5.481 1.00 73.40 C ATOM 1453 C ASP A 93 6.767 -1.191 -5.560 1.00 31.00 C ATOM 1454 O ASP A 93 6.401 -2.243 -5.039 1.00 62.34 O ATOM 1455 CB ASP A 93 5.314 0.323 -6.873 1.00 62.14 C ATOM 1456 CG ASP A 93 4.656 1.692 -7.053 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.300 2.363 -6.073 1.00 71.11 O ATOM 1458 OD2 ASP A 93 4.510 2.070 -8.278 1.00 64.24 O1- ATOM 0 H ASP A 93 6.688 1.992 -5.653 1.00 75.33 H new ATOM 0 HA ASP A 93 5.079 -0.075 -4.770 1.00 73.40 H new ATOM 0 HB2 ASP A 93 6.113 0.221 -7.608 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.577 -0.449 -7.094 1.00 62.14 H new ATOM 1464 N LEU A 94 7.908 -1.038 -6.216 1.00 12.24 N ATOM 1465 CA LEU A 94 8.838 -2.143 -6.370 1.00 1.33 C ATOM 1466 C LEU A 94 9.328 -2.587 -4.990 1.00 21.32 C ATOM 1467 O LEU A 94 9.423 -3.784 -4.718 1.00 4.12 O ATOM 1468 CB LEU A 94 9.967 -1.764 -7.330 1.00 1.22 C ATOM 1469 CG LEU A 94 10.578 -2.914 -8.135 1.00 64.13 C ATOM 1470 CD1 LEU A 94 11.590 -2.391 -9.156 1.00 14.55 C ATOM 1471 CD2 LEU A 94 11.190 -3.966 -7.208 1.00 54.24 C ATOM 0 H LEU A 94 8.209 -0.164 -6.647 1.00 12.24 H new ATOM 0 HA LEU A 94 8.340 -3.000 -6.823 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.588 -1.019 -8.029 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.761 -1.287 -6.755 1.00 1.22 H new ATOM 0 HG LEU A 94 9.780 -3.402 -8.694 1.00 64.13 H new ATOM 0 HD11 LEU A 94 12.009 -3.228 -9.714 1.00 14.55 H new ATOM 0 HD12 LEU A 94 11.092 -1.708 -9.845 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.391 -1.864 -8.637 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.617 -4.772 -7.804 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.973 -3.507 -6.604 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.417 -4.369 -6.554 1.00 54.24 H new ATOM 1483 N ILE A 95 9.625 -1.602 -4.157 1.00 21.15 N ATOM 1484 CA ILE A 95 10.102 -1.877 -2.812 1.00 63.21 C ATOM 1485 C ILE A 95 8.950 -2.423 -1.968 1.00 63.41 C ATOM 1486 O ILE A 95 9.172 -2.984 -0.896 1.00 23.11 O ATOM 1487 CB ILE A 95 10.767 -0.634 -2.215 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.111 -0.354 -2.891 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.904 -0.761 -0.697 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.553 1.092 -2.650 1.00 73.24 C ATOM 0 H ILE A 95 9.545 -0.611 -4.387 1.00 21.15 H new ATOM 0 HA ILE A 95 10.875 -2.646 -2.832 1.00 63.21 H new ATOM 0 HB ILE A 95 10.124 0.224 -2.409 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.866 -1.039 -2.505 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.030 -0.540 -3.962 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.379 0.135 -0.298 1.00 73.02 H new ATOM 0 HG22 ILE A 95 9.916 -0.877 -0.251 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.514 -1.632 -0.458 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.511 1.266 -3.140 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.807 1.773 -3.059 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.657 1.267 -1.579 1.00 73.24 H new ATOM 1502 N ALA A 96 7.742 -2.240 -2.483 1.00 32.22 N ATOM 1503 CA ALA A 96 6.554 -2.708 -1.790 1.00 61.14 C ATOM 1504 C ALA A 96 6.425 -4.221 -1.973 1.00 33.13 C ATOM 1505 O ALA A 96 5.859 -4.907 -1.123 1.00 22.11 O ATOM 1506 CB ALA A 96 5.330 -1.952 -2.309 1.00 55.41 C ATOM 0 H ALA A 96 7.561 -1.774 -3.372 1.00 32.22 H new ATOM 0 HA ALA A 96 6.630 -2.511 -0.721 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.438 -2.303 -1.789 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.458 -0.885 -2.129 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.220 -2.129 -3.379 1.00 55.41 H new ATOM 1512 N TYR A 97 6.962 -4.700 -3.086 1.00 60.33 N ATOM 1513 CA TYR A 97 6.914 -6.120 -3.390 1.00 13.11 C ATOM 1514 C TYR A 97 8.213 -6.814 -2.975 1.00 22.34 C ATOM 1515 O TYR A 97 8.204 -7.988 -2.609 1.00 64.42 O ATOM 1516 CB TYR A 97 6.759 -6.220 -4.910 1.00 3.14 C ATOM 1517 CG TYR A 97 7.098 -7.599 -5.480 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.627 -8.738 -4.857 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.873 -7.704 -6.617 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.945 -10.035 -5.393 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.192 -9.003 -7.153 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.713 -10.103 -6.515 1.00 73.54 C ATOM 1523 OH TYR A 97 8.013 -11.329 -7.021 1.00 60.45 O ATOM 0 H TYR A 97 7.433 -4.129 -3.788 1.00 60.33 H new ATOM 0 HA TYR A 97 6.096 -6.600 -2.853 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.732 -5.970 -5.178 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.401 -5.476 -5.380 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.020 -8.655 -3.968 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.240 -6.813 -7.105 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.583 -10.934 -4.916 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.798 -9.100 -8.042 1.00 1.23 H new ATOM 0 HH TYR A 97 7.423 -12.001 -6.621 1.00 60.45 H new ATOM 1533 N LEU A 98 9.299 -6.058 -3.047 1.00 52.20 N ATOM 1534 CA LEU A 98 10.603 -6.585 -2.682 1.00 32.23 C ATOM 1535 C LEU A 98 10.639 -6.847 -1.175 1.00 0.11 C ATOM 1536 O LEU A 98 11.559 -7.493 -0.676 1.00 31.23 O ATOM 1537 CB LEU A 98 11.713 -5.654 -3.172 1.00 12.22 C ATOM 1538 CG LEU A 98 12.065 -5.753 -4.658 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.307 -4.920 -4.983 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.223 -7.212 -5.088 1.00 14.05 C ATOM 0 H LEU A 98 9.302 -5.085 -3.353 1.00 52.20 H new ATOM 0 HA LEU A 98 10.780 -7.541 -3.176 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.420 -4.627 -2.956 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.613 -5.857 -2.592 1.00 12.22 H new ATOM 0 HG LEU A 98 11.239 -5.337 -5.234 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.536 -5.007 -6.045 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.119 -3.875 -4.737 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.152 -5.284 -4.399 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.473 -7.254 -6.148 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.020 -7.678 -4.509 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.289 -7.746 -4.914 1.00 14.05 H new ATOM 1552 N LYS A 99 9.627 -6.333 -0.493 1.00 42.13 N ATOM 1553 CA LYS A 99 9.533 -6.502 0.947 1.00 65.14 C ATOM 1554 C LYS A 99 8.581 -7.659 1.258 1.00 74.10 C ATOM 1555 O LYS A 99 8.952 -8.605 1.952 1.00 12.40 O ATOM 1556 CB LYS A 99 9.137 -5.184 1.617 1.00 53.10 C ATOM 1557 CG LYS A 99 8.869 -5.387 3.110 1.00 51.40 C ATOM 1558 CD LYS A 99 10.017 -4.829 3.954 1.00 53.31 C ATOM 1559 CE LYS A 99 10.088 -5.526 5.314 1.00 14.20 C ATOM 1560 NZ LYS A 99 8.890 -5.210 6.122 1.00 30.50 N1+ ATOM 0 H LYS A 99 8.865 -5.799 -0.911 1.00 42.13 H new ATOM 0 HA LYS A 99 10.505 -6.766 1.364 1.00 65.14 H new ATOM 0 HB2 LYS A 99 9.932 -4.450 1.483 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.246 -4.780 1.136 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.937 -4.894 3.386 1.00 51.40 H new ATOM 0 HG3 LYS A 99 8.742 -6.449 3.319 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.960 -4.961 3.424 1.00 53.31 H new ATOM 0 HD3 LYS A 99 9.880 -3.757 4.098 1.00 53.31 H new ATOM 0 HE2 LYS A 99 10.165 -6.604 5.173 1.00 14.20 H new ATOM 0 HE3 LYS A 99 10.986 -5.209 5.845 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 9.001 -5.607 7.077 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 8.777 -4.178 6.186 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.049 -5.623 5.671 1.00 30.50 H new ATOM 1573 N LYS A 100 7.371 -7.547 0.730 1.00 45.50 N ATOM 1574 CA LYS A 100 6.363 -8.571 0.942 1.00 71.42 C ATOM 1575 C LYS A 100 6.899 -9.917 0.450 1.00 15.31 C ATOM 1576 O LYS A 100 6.641 -10.954 1.060 1.00 13.03 O ATOM 1577 CB LYS A 100 5.039 -8.163 0.295 1.00 23.01 C ATOM 1578 CG LYS A 100 3.849 -8.728 1.075 1.00 62.30 C ATOM 1579 CD LYS A 100 3.396 -10.067 0.488 1.00 21.42 C ATOM 1580 CE LYS A 100 2.812 -10.971 1.576 1.00 4.03 C ATOM 1581 NZ LYS A 100 3.766 -11.116 2.698 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.066 -6.762 0.155 1.00 45.50 H new ATOM 0 HA LYS A 100 6.150 -8.681 2.005 1.00 71.42 H new ATOM 0 HB2 LYS A 100 4.969 -7.076 0.256 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.007 -8.522 -0.734 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.125 -8.860 2.121 1.00 62.30 H new ATOM 0 HG3 LYS A 100 3.023 -8.018 1.050 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.649 -9.895 -0.287 1.00 21.42 H new ATOM 0 HD3 LYS A 100 4.241 -10.564 0.011 1.00 21.42 H new ATOM 0 HE2 LYS A 100 1.874 -10.552 1.940 1.00 4.03 H new ATOM 0 HE3 LYS A 100 2.582 -11.951 1.158 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 3.507 -11.946 3.269 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 4.728 -11.241 2.322 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 3.735 -10.263 3.293 1.00 72.11 H new ATOM 1594 N ALA A 101 7.636 -9.858 -0.650 1.00 64.02 N ATOM 1595 CA ALA A 101 8.211 -11.060 -1.231 1.00 24.13 C ATOM 1596 C ALA A 101 9.313 -11.589 -0.311 1.00 72.45 C ATOM 1597 O ALA A 101 9.393 -12.791 -0.061 1.00 21.11 O ATOM 1598 CB ALA A 101 8.724 -10.750 -2.639 1.00 75.14 C ATOM 0 H ALA A 101 7.848 -8.997 -1.154 1.00 64.02 H new ATOM 0 HA ALA A 101 7.457 -11.841 -1.324 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.155 -11.651 -3.076 1.00 75.14 H new ATOM 0 HB2 ALA A 101 7.897 -10.406 -3.260 1.00 75.14 H new ATOM 0 HB3 ALA A 101 9.486 -9.972 -2.586 1.00 75.14 H new ATOM 1604 N THR A 102 10.136 -10.667 0.165 1.00 15.34 N ATOM 1605 CA THR A 102 11.229 -11.025 1.051 1.00 4.43 C ATOM 1606 C THR A 102 10.837 -10.780 2.509 1.00 51.23 C ATOM 1607 O THR A 102 11.639 -10.278 3.295 1.00 33.25 O ATOM 1608 CB THR A 102 12.468 -10.239 0.614 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.242 -8.927 1.121 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.536 -10.047 -0.901 1.00 73.13 C ATOM 0 H THR A 102 10.067 -9.672 -0.047 1.00 15.34 H new ATOM 0 HA THR A 102 11.460 -12.088 0.985 1.00 4.43 H new ATOM 0 HB THR A 102 13.365 -10.757 0.954 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.295 -8.279 0.388 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.434 -9.484 -1.156 1.00 73.13 H new ATOM 0 HG22 THR A 102 12.567 -11.021 -1.390 1.00 73.13 H new ATOM 0 HG23 THR A 102 11.656 -9.500 -1.238 1.00 73.13 H new ATOM 1618 N ASN A 103 9.604 -11.147 2.826 1.00 70.44 N ATOM 1619 CA ASN A 103 9.095 -10.973 4.176 1.00 11.44 C ATOM 1620 C ASN A 103 8.546 -12.307 4.685 1.00 44.21 C ATOM 1621 O ASN A 103 8.927 -12.771 5.759 1.00 20.15 O ATOM 1622 CB ASN A 103 7.958 -9.950 4.209 1.00 54.20 C ATOM 1623 CG ASN A 103 7.216 -9.998 5.545 1.00 33.53 C ATOM 1624 OD1 ASN A 103 6.074 -10.417 5.637 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.927 -9.547 6.575 1.00 23.31 N ATOM 0 H ASN A 103 8.942 -11.564 2.171 1.00 70.44 H new ATOM 0 HA ASN A 103 9.915 -10.621 4.802 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.359 -8.950 4.048 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.261 -10.149 3.395 1.00 54.20 H new ATOM 0 HD21 ASN A 103 7.521 -9.538 7.510 1.00 23.31 H new ATOM 0 HD22 ASN A 103 8.879 -9.210 6.429 1.00 23.31 H new ATOM 1632 N GLU A 104 7.659 -12.887 3.889 1.00 23.13 N ATOM 1633 CA GLU A 104 7.053 -14.159 4.246 1.00 54.13 C ATOM 1634 C GLU A 104 8.093 -15.081 4.886 1.00 73.12 C ATOM 1635 O GLU A 104 9.237 -15.136 4.440 1.00 31.02 O ATOM 1636 CB GLU A 104 6.411 -14.821 3.025 1.00 64.13 C ATOM 1637 CG GLU A 104 5.286 -13.953 2.458 1.00 74.30 C ATOM 1638 CD GLU A 104 4.268 -14.803 1.696 1.00 30.24 C ATOM 1639 OE1 GLU A 104 3.421 -15.461 2.317 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.377 -14.763 0.411 1.00 71.21 O1- ATOM 0 H GLU A 104 7.346 -12.500 2.999 1.00 23.13 H new ATOM 0 HA GLU A 104 6.264 -13.972 4.975 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.167 -14.989 2.258 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.016 -15.798 3.302 1.00 64.13 H new ATOM 0 HG2 GLU A 104 4.787 -13.422 3.269 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.705 -13.198 1.793 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.465 -6.933 -8.408 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.876 -6.991 -5.927 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.376 -5.168 -6.342 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.559 -6.335 -11.109 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.439 -9.146 -10.255 1.00 22.15 C HETATM 1654 NA HEC A 500 20.631 -6.152 -6.512 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.706 -6.302 -5.705 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.408 -5.685 -4.449 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.134 -5.175 -4.530 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.636 -5.497 -5.850 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.434 -4.374 -3.462 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.292 -5.765 -3.237 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.328 -7.151 -2.588 1.00 50.33 C HETATM 1662 CGA HEC A 500 20.948 -7.521 -2.069 1.00 24.15 C HETATM 1663 O1A HEC A 500 19.983 -6.832 -2.455 1.00 51.15 O HETATM 1664 O2A HEC A 500 20.874 -8.545 -1.352 1.00 64.43 O HETATM 1665 NB HEC A 500 18.732 -6.009 -8.657 1.00 15.25 N HETATM 1666 C1B HEC A 500 18.017 -5.385 -7.677 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.782 -4.948 -8.275 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.895 -5.142 -9.637 1.00 22.40 C HETATM 1669 C4B HEC A 500 18.125 -5.867 -9.861 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.594 -4.402 -7.527 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.902 -4.746 -10.710 1.00 55.14 C HETATM 1672 CBB HEC A 500 15.216 -3.393 -10.505 1.00 1.25 C HETATM 1673 NC HEC A 500 20.471 -7.656 -10.345 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.579 -7.265 -11.273 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.819 -8.044 -12.471 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.822 -8.941 -12.175 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.315 -8.592 -10.861 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.975 -8.039 -13.724 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.270 -10.140 -13.002 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.883 -9.777 -14.360 1.00 35.45 C HETATM 1681 ND HEC A 500 22.313 -7.912 -8.125 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.893 -8.777 -8.997 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.124 -9.239 -8.397 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.264 -8.581 -7.201 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.097 -7.765 -7.034 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.104 -10.226 -8.975 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.480 -8.602 -6.308 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.296 -7.320 -6.459 1.00 13.53 C HETATM 1689 CGD HEC A 500 25.417 -6.092 -6.577 1.00 13.34 C HETATM 1690 O1D HEC A 500 24.865 -5.872 -7.673 1.00 32.14 O HETATM 1691 O2D HEC A 500 25.322 -5.355 -5.578 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.604 -11.180 -9.141 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.486 -9.847 -9.923 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 25.932 -10.366 -8.280 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.961 -8.355 -13.481 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.951 -7.033 -14.142 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.404 -8.725 -14.454 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.230 -5.152 -6.825 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.888 -3.506 -6.981 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.802 -4.153 -8.234 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.357 -4.969 -2.552 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 20.003 -3.468 -3.255 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.435 -4.105 -3.805 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 26.958 -7.210 -5.600 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.930 -7.397 -7.342 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 21.150 -9.235 -14.957 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.761 -9.150 -14.207 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 22.174 -10.688 -14.883 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.665 -3.403 -9.565 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.968 -2.604 -10.476 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.526 -3.206 -11.328 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.663 -7.892 -3.314 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 23.047 -7.159 -1.769 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.170 -8.719 -5.270 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 26.101 -9.463 -6.555 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.306 -5.480 -3.519 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 21.949 -5.038 -2.501 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.993 -9.912 -10.799 1.00 22.15 H new HETATM 0 HHC HEC A 500 18.069 -5.947 -12.002 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.645 -4.727 -5.665 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.668 -6.917 -5.182 1.00 70.41 H new HETATM 0 H2A HEC A 500 20.251 -8.383 -0.613 1.00 64.43 H new