USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -140:sc= -0.0622 (180deg=-0.276) USER MOD Set 1.2: A 65 GLN : amide:sc= -1.14 K(o=-1.2,f=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0554) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-2.1) USER MOD Single : A 4 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.0086) USER MOD Single : A 5 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.054) USER MOD Single : A 6 HIS : no HE2:sc= -0.0595 X(o=-0.06,f=-0.12) USER MOD Single : A 7 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.205 F(o=-3.7,f=-0.2) USER MOD Single : A 12 THR OG1 : rot -14:sc= 0.757 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 27 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.8!) USER MOD Single : A 28 THR OG1 : rot 175:sc= 0.147 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 135:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.154 (180deg=-0.635) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.241 F(o=-2.3,f=-0.24) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 39 SER OG : rot 180:sc= -0.341 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.67! C(o=-7.7!,f=-13!) USER MOD Single : A 43 THR OG1 : rot -105:sc= 1.45 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.0128 (180deg=-0.0792) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.227 F(o=-2.5!,f=-0.23) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.676 31.371 -7.691 1.00 61.51 N ATOM 2 CA MET A 1 5.858 31.025 -8.848 1.00 11.02 C ATOM 3 C MET A 1 5.310 29.607 -8.722 1.00 65.24 C ATOM 4 O MET A 1 4.140 29.354 -9.012 1.00 44.51 O ATOM 5 CB MET A 1 6.675 31.157 -10.135 1.00 33.13 C ATOM 6 CG MET A 1 6.797 32.588 -10.633 1.00 74.21 C ATOM 7 SD MET A 1 8.470 33.240 -10.471 1.00 31.34 S ATOM 8 CE MET A 1 8.587 34.245 -11.949 1.00 33.34 C ATOM 0 H1 MET A 1 6.940 32.376 -7.740 1.00 61.51 H new ATOM 0 H2 MET A 1 6.136 31.197 -6.819 1.00 61.51 H new ATOM 0 H3 MET A 1 7.537 30.787 -7.687 1.00 61.51 H new ATOM 0 HA MET A 1 5.017 31.718 -8.888 1.00 11.02 H new ATOM 0 HB2 MET A 1 7.673 30.754 -9.965 1.00 33.13 H new ATOM 0 HB3 MET A 1 6.214 30.548 -10.913 1.00 33.13 H new ATOM 0 HG2 MET A 1 6.494 32.631 -11.679 1.00 74.21 H new ATOM 0 HG3 MET A 1 6.108 33.223 -10.075 1.00 74.21 H new ATOM 0 HE1 MET A 1 9.569 34.716 -11.992 1.00 33.34 H new ATOM 0 HE2 MET A 1 8.448 33.616 -12.828 1.00 33.34 H new ATOM 0 HE3 MET A 1 7.816 35.015 -11.928 1.00 33.34 H new ATOM 18 N HIS A 2 6.164 28.684 -8.289 1.00 74.13 N ATOM 19 CA HIS A 2 5.764 27.291 -8.125 1.00 64.45 C ATOM 20 C HIS A 2 5.188 26.734 -9.424 1.00 43.21 C ATOM 21 O HIS A 2 5.212 27.399 -10.461 1.00 32.34 O ATOM 22 CB HIS A 2 4.736 27.162 -7.001 1.00 63.52 C ATOM 23 CG HIS A 2 5.175 27.788 -5.713 1.00 70.05 C ATOM 24 ND1 HIS A 2 6.444 27.636 -5.197 1.00 4.41 N ATOM 25 CD2 HIS A 2 4.505 28.573 -4.838 1.00 2.14 C ATOM 26 CE1 HIS A 2 6.536 28.300 -4.058 1.00 60.40 C ATOM 27 NE2 HIS A 2 5.373 28.877 -3.818 1.00 12.34 N ATOM 0 H HIS A 2 7.136 28.876 -8.046 1.00 74.13 H new ATOM 0 HA HIS A 2 6.651 26.713 -7.864 1.00 64.45 H new ATOM 0 HB2 HIS A 2 3.801 27.624 -7.320 1.00 63.52 H new ATOM 0 HB3 HIS A 2 4.528 26.106 -6.830 1.00 63.52 H new ATOM 0 HD2 HIS A 2 3.479 28.900 -4.925 1.00 2.14 H new ATOM 0 HE1 HIS A 2 7.413 28.360 -3.431 1.00 60.40 H new ATOM 0 HE2 HIS A 2 5.155 29.455 -3.006 1.00 12.34 H new ATOM 35 N HIS A 3 4.672 25.511 -9.361 1.00 22.14 N ATOM 36 CA HIS A 3 4.090 24.865 -10.532 1.00 1.02 C ATOM 37 C HIS A 3 3.450 23.532 -10.155 1.00 42.14 C ATOM 38 O HIS A 3 4.144 22.540 -9.931 1.00 62.24 O ATOM 39 CB HIS A 3 5.158 24.646 -11.604 1.00 5.45 C ATOM 40 CG HIS A 3 6.390 23.966 -11.091 1.00 64.03 C ATOM 41 ND1 HIS A 3 7.325 24.598 -10.298 1.00 35.12 N ATOM 42 CD2 HIS A 3 6.839 22.700 -11.262 1.00 15.21 C ATOM 43 CE1 HIS A 3 8.295 23.751 -10.004 1.00 72.11 C ATOM 44 NE2 HIS A 3 8.024 22.592 -10.577 1.00 34.13 N ATOM 0 H HIS A 3 4.645 24.947 -8.511 1.00 22.14 H new ATOM 0 HA HIS A 3 3.315 25.520 -10.930 1.00 1.02 H new ATOM 0 HB2 HIS A 3 4.733 24.050 -12.412 1.00 5.45 H new ATOM 0 HB3 HIS A 3 5.436 25.610 -12.031 1.00 5.45 H new ATOM 0 HD2 HIS A 3 6.355 21.920 -11.831 1.00 15.21 H new ATOM 0 HE1 HIS A 3 9.162 23.969 -9.398 1.00 72.11 H new ATOM 0 HE2 HIS A 3 8.601 21.753 -10.520 1.00 34.13 H new ATOM 52 N HIS A 4 2.123 23.517 -10.087 1.00 33.13 N ATOM 53 CA HIS A 4 1.389 22.306 -9.737 1.00 62.40 C ATOM 54 C HIS A 4 0.661 21.741 -10.953 1.00 42.13 C ATOM 55 O HIS A 4 0.845 22.215 -12.075 1.00 14.42 O ATOM 56 CB HIS A 4 0.388 22.595 -8.618 1.00 43.31 C ATOM 57 CG HIS A 4 0.590 21.748 -7.400 1.00 4.34 C ATOM 58 ND1 HIS A 4 0.452 22.232 -6.116 1.00 25.24 N ATOM 59 CD2 HIS A 4 0.920 20.442 -7.274 1.00 63.45 C ATOM 60 CE1 HIS A 4 0.691 21.260 -5.253 1.00 74.44 C ATOM 61 NE2 HIS A 4 0.976 20.163 -5.931 1.00 64.51 N ATOM 0 H HIS A 4 1.534 24.329 -10.270 1.00 33.13 H new ATOM 0 HA HIS A 4 2.108 21.564 -9.388 1.00 62.40 H new ATOM 0 HB2 HIS A 4 0.464 23.645 -8.337 1.00 43.31 H new ATOM 0 HB3 HIS A 4 -0.622 22.438 -8.996 1.00 43.31 H new ATOM 0 HD2 HIS A 4 1.105 19.748 -8.080 1.00 63.45 H new ATOM 0 HE1 HIS A 4 0.659 21.348 -4.177 1.00 74.44 H new ATOM 0 HE2 HIS A 4 1.201 19.256 -5.523 1.00 64.51 H new ATOM 69 N HIS A 5 -0.165 20.725 -10.724 1.00 3.12 N ATOM 70 CA HIS A 5 -0.920 20.096 -11.801 1.00 73.21 C ATOM 71 C HIS A 5 -2.223 19.501 -11.275 1.00 53.14 C ATOM 72 O HIS A 5 -2.456 19.461 -10.067 1.00 31.42 O ATOM 73 CB HIS A 5 -0.083 19.006 -12.471 1.00 44.21 C ATOM 74 CG HIS A 5 0.546 18.053 -11.502 1.00 2.22 C ATOM 75 ND1 HIS A 5 1.759 17.439 -11.730 1.00 64.21 N ATOM 76 CD2 HIS A 5 0.124 17.611 -10.294 1.00 53.23 C ATOM 77 CE1 HIS A 5 2.055 16.659 -10.706 1.00 20.23 C ATOM 78 NE2 HIS A 5 1.079 16.746 -9.820 1.00 73.23 N ATOM 0 H HIS A 5 -0.328 20.320 -9.802 1.00 3.12 H new ATOM 0 HA HIS A 5 -1.161 20.862 -12.538 1.00 73.21 H new ATOM 0 HB2 HIS A 5 -0.715 18.446 -13.160 1.00 44.21 H new ATOM 0 HB3 HIS A 5 0.700 19.475 -13.067 1.00 44.21 H new ATOM 0 HD2 HIS A 5 -0.793 17.887 -9.796 1.00 53.23 H new ATOM 0 HE1 HIS A 5 2.944 16.053 -10.609 1.00 20.23 H new ATOM 0 HE2 HIS A 5 1.041 16.251 -8.929 1.00 73.23 H new ATOM 86 N HIS A 6 -3.070 19.041 -12.191 1.00 53.40 N ATOM 87 CA HIS A 6 -4.350 18.449 -11.819 1.00 53.04 C ATOM 88 C HIS A 6 -4.401 16.975 -12.211 1.00 0.30 C ATOM 89 O HIS A 6 -5.172 16.199 -11.647 1.00 34.42 O ATOM 90 CB HIS A 6 -5.499 19.206 -12.486 1.00 73.35 C ATOM 91 CG HIS A 6 -5.282 19.460 -13.946 1.00 65.44 C ATOM 92 ND1 HIS A 6 -5.609 18.546 -14.926 1.00 41.32 N ATOM 93 CD2 HIS A 6 -4.767 20.533 -14.591 1.00 74.13 C ATOM 94 CE1 HIS A 6 -5.304 19.046 -16.110 1.00 61.14 C ATOM 95 NE2 HIS A 6 -4.792 20.251 -15.935 1.00 70.20 N ATOM 0 H HIS A 6 -2.893 19.067 -13.195 1.00 53.40 H new ATOM 0 HA HIS A 6 -4.456 18.523 -10.737 1.00 53.04 H new ATOM 0 HB2 HIS A 6 -6.420 18.638 -12.358 1.00 73.35 H new ATOM 0 HB3 HIS A 6 -5.639 20.159 -11.977 1.00 73.35 H new ATOM 0 HD1 HIS A 6 -6.022 17.628 -14.762 1.00 41.32 H new ATOM 0 HD2 HIS A 6 -4.404 21.442 -14.134 1.00 74.13 H new ATOM 0 HE1 HIS A 6 -5.449 18.553 -17.060 1.00 61.14 H new ATOM 103 N HIS A 7 -3.575 16.597 -13.181 1.00 63.20 N ATOM 104 CA HIS A 7 -3.526 15.216 -13.648 1.00 63.12 C ATOM 105 C HIS A 7 -4.852 14.810 -14.284 1.00 31.15 C ATOM 106 O HIS A 7 -5.891 15.410 -14.010 1.00 43.32 O ATOM 107 CB HIS A 7 -3.193 14.275 -12.490 1.00 5.00 C ATOM 108 CG HIS A 7 -1.800 13.726 -12.546 1.00 32.21 C ATOM 109 ND1 HIS A 7 -0.915 13.810 -11.492 1.00 31.21 N ATOM 110 CD2 HIS A 7 -1.142 13.081 -13.537 1.00 72.33 C ATOM 111 CE1 HIS A 7 0.228 13.242 -11.833 1.00 74.31 C ATOM 112 NE2 HIS A 7 0.116 12.791 -13.070 1.00 31.24 N ATOM 0 H HIS A 7 -2.931 17.227 -13.659 1.00 63.20 H new ATOM 0 HA HIS A 7 -2.743 15.142 -14.403 1.00 63.12 H new ATOM 0 HB2 HIS A 7 -3.327 14.809 -11.549 1.00 5.00 H new ATOM 0 HB3 HIS A 7 -3.902 13.447 -12.490 1.00 5.00 H new ATOM 0 HD2 HIS A 7 -1.534 12.839 -14.514 1.00 72.33 H new ATOM 0 HE1 HIS A 7 1.105 13.160 -11.207 1.00 74.31 H new ATOM 0 HE2 HIS A 7 0.845 12.306 -13.593 1.00 31.24 H new ATOM 120 N GLU A 8 -4.808 13.788 -15.133 1.00 21.14 N ATOM 121 CA GLU A 8 -6.007 13.304 -15.807 1.00 65.14 C ATOM 122 C GLU A 8 -6.613 12.122 -15.057 1.00 74.22 C ATOM 123 O GLU A 8 -7.158 11.200 -15.665 1.00 14.13 O ATOM 124 CB GLU A 8 -5.680 12.896 -17.245 1.00 64.14 C ATOM 125 CG GLU A 8 -4.824 13.910 -17.986 1.00 61.22 C ATOM 126 CD GLU A 8 -5.531 15.236 -18.185 1.00 14.25 C ATOM 127 OE1 GLU A 8 -6.546 15.264 -18.913 1.00 21.35 O ATOM 128 OE2 GLU A 8 -5.071 16.246 -17.613 1.00 11.24 O ATOM 0 H GLU A 8 -3.956 13.280 -15.370 1.00 21.14 H new ATOM 0 HA GLU A 8 -6.736 14.114 -15.823 1.00 65.14 H new ATOM 0 HB2 GLU A 8 -5.163 11.936 -17.233 1.00 64.14 H new ATOM 0 HB3 GLU A 8 -6.611 12.750 -17.793 1.00 64.14 H new ATOM 0 HG2 GLU A 8 -3.900 14.075 -17.431 1.00 61.22 H new ATOM 0 HG3 GLU A 8 -4.544 13.503 -18.957 1.00 61.22 H new ATOM 135 N VAL A 9 -6.514 12.155 -13.732 1.00 12.50 N ATOM 136 CA VAL A 9 -7.053 11.088 -12.898 1.00 12.24 C ATOM 137 C VAL A 9 -6.624 9.719 -13.412 1.00 30.31 C ATOM 138 O VAL A 9 -7.436 8.923 -13.885 1.00 41.45 O ATOM 139 CB VAL A 9 -8.591 11.144 -12.840 1.00 34.45 C ATOM 140 CG1 VAL A 9 -9.127 10.103 -11.868 1.00 70.00 C ATOM 141 CG2 VAL A 9 -9.060 12.538 -12.452 1.00 5.04 C ATOM 0 H VAL A 9 -6.065 12.910 -13.213 1.00 12.50 H new ATOM 0 HA VAL A 9 -6.653 11.237 -11.895 1.00 12.24 H new ATOM 0 HB VAL A 9 -8.983 10.917 -13.832 1.00 34.45 H new ATOM 0 HG11 VAL A 9 -10.215 10.157 -11.840 1.00 70.00 H new ATOM 0 HG12 VAL A 9 -8.822 9.109 -12.195 1.00 70.00 H new ATOM 0 HG13 VAL A 9 -8.729 10.296 -10.872 1.00 70.00 H new ATOM 0 HG21 VAL A 9 -10.149 12.559 -12.416 1.00 5.04 H new ATOM 0 HG22 VAL A 9 -8.660 12.797 -11.472 1.00 5.04 H new ATOM 0 HG23 VAL A 9 -8.708 13.259 -13.190 1.00 5.04 H new ATOM 151 N PRO A 10 -5.317 9.434 -13.317 1.00 44.33 N ATOM 152 CA PRO A 10 -4.749 8.160 -13.767 1.00 72.40 C ATOM 153 C PRO A 10 -5.167 6.993 -12.878 1.00 54.22 C ATOM 154 O PRO A 10 -4.343 6.412 -12.174 1.00 65.20 O ATOM 155 CB PRO A 10 -3.239 8.390 -13.671 1.00 50.23 C ATOM 156 CG PRO A 10 -3.082 9.450 -12.636 1.00 55.24 C ATOM 157 CD PRO A 10 -4.292 10.335 -12.764 1.00 23.04 C ATOM 0 HA PRO A 10 -5.090 7.893 -14.767 1.00 72.40 H new ATOM 0 HB2 PRO A 10 -2.717 7.477 -13.385 1.00 50.23 H new ATOM 0 HB3 PRO A 10 -2.825 8.707 -14.628 1.00 50.23 H new ATOM 0 HG2 PRO A 10 -3.020 9.015 -11.638 1.00 55.24 H new ATOM 0 HG3 PRO A 10 -2.165 10.017 -12.794 1.00 55.24 H new ATOM 0 HD2 PRO A 10 -4.594 10.744 -11.800 1.00 23.04 H new ATOM 0 HD3 PRO A 10 -4.103 11.181 -13.424 1.00 23.04 H new ATOM 165 N GLN A 11 -6.453 6.657 -12.917 1.00 23.11 N ATOM 166 CA GLN A 11 -6.979 5.560 -12.114 1.00 31.50 C ATOM 167 C GLN A 11 -8.014 4.759 -12.898 1.00 23.10 C ATOM 168 O GLN A 11 -8.034 3.529 -12.844 1.00 35.32 O ATOM 169 CB GLN A 11 -7.603 6.096 -10.824 1.00 45.44 C ATOM 170 CG GLN A 11 -6.592 6.712 -9.870 1.00 63.13 C ATOM 171 CD GLN A 11 -6.851 8.184 -9.615 1.00 33.52 C ATOM 172 OE1 GLN A 11 -6.407 9.032 -10.535 1.00 1.33 O flip ATOM 173 NE2 GLN A 11 -7.445 8.554 -8.602 1.00 25.24 N flip ATOM 0 H GLN A 11 -7.148 7.128 -13.495 1.00 23.11 H new ATOM 0 HA GLN A 11 -6.150 4.899 -11.861 1.00 31.50 H new ATOM 0 HB2 GLN A 11 -8.354 6.844 -11.077 1.00 45.44 H new ATOM 0 HB3 GLN A 11 -8.121 5.283 -10.316 1.00 45.44 H new ATOM 0 HG2 GLN A 11 -6.617 6.173 -8.923 1.00 63.13 H new ATOM 0 HG3 GLN A 11 -5.590 6.589 -10.280 1.00 63.13 H new ATOM 0 HE21 GLN A 11 -7.769 7.867 -7.921 1.00 25.24 H new ATOM 0 HE22 GLN A 11 -7.613 9.547 -8.444 1.00 25.24 H new ATOM 182 N THR A 12 -8.873 5.465 -13.627 1.00 65.32 N ATOM 183 CA THR A 12 -9.911 4.820 -14.421 1.00 40.32 C ATOM 184 C THR A 12 -10.466 5.771 -15.476 1.00 65.43 C ATOM 185 O THR A 12 -10.725 5.371 -16.611 1.00 73.44 O ATOM 186 CB THR A 12 -11.069 4.323 -13.535 1.00 3.41 C ATOM 187 OG1 THR A 12 -10.587 3.352 -12.599 1.00 74.04 O ATOM 188 CG2 THR A 12 -12.176 3.714 -14.382 1.00 43.20 C ATOM 0 H THR A 12 -8.870 6.483 -13.684 1.00 65.32 H new ATOM 0 HA THR A 12 -9.447 3.965 -14.913 1.00 40.32 H new ATOM 0 HB THR A 12 -11.476 5.177 -12.994 1.00 3.41 H new ATOM 0 HG1 THR A 12 -9.691 3.058 -12.865 1.00 74.04 H new ATOM 0 HG21 THR A 12 -12.982 3.370 -13.734 1.00 43.20 H new ATOM 0 HG22 THR A 12 -12.560 4.464 -15.073 1.00 43.20 H new ATOM 0 HG23 THR A 12 -11.780 2.870 -14.947 1.00 43.20 H new ATOM 196 N PHE A 13 -10.644 7.031 -15.095 1.00 54.12 N ATOM 197 CA PHE A 13 -11.169 8.039 -16.009 1.00 42.03 C ATOM 198 C PHE A 13 -10.035 8.836 -16.648 1.00 53.31 C ATOM 199 O PHE A 13 -8.860 8.543 -16.434 1.00 64.10 O ATOM 200 CB PHE A 13 -12.118 8.984 -15.270 1.00 74.10 C ATOM 201 CG PHE A 13 -13.555 8.834 -15.683 1.00 2.01 C ATOM 202 CD1 PHE A 13 -14.382 7.925 -15.044 1.00 21.42 C ATOM 203 CD2 PHE A 13 -14.078 9.602 -16.711 1.00 4.33 C ATOM 204 CE1 PHE A 13 -15.704 7.784 -15.421 1.00 13.50 C ATOM 205 CE2 PHE A 13 -15.399 9.467 -17.092 1.00 31.11 C ATOM 206 CZ PHE A 13 -16.213 8.556 -16.447 1.00 51.02 C ATOM 0 H PHE A 13 -10.433 7.379 -14.160 1.00 54.12 H new ATOM 0 HA PHE A 13 -11.720 7.527 -16.798 1.00 42.03 H new ATOM 0 HB2 PHE A 13 -12.036 8.804 -14.198 1.00 74.10 H new ATOM 0 HB3 PHE A 13 -11.803 10.013 -15.446 1.00 74.10 H new ATOM 0 HD1 PHE A 13 -13.989 7.319 -14.241 1.00 21.42 H new ATOM 0 HD2 PHE A 13 -13.446 10.314 -17.220 1.00 4.33 H new ATOM 0 HE1 PHE A 13 -16.338 7.071 -14.914 1.00 13.50 H new ATOM 0 HE2 PHE A 13 -15.795 10.073 -17.893 1.00 31.11 H new ATOM 0 HZ PHE A 13 -17.246 8.448 -16.744 1.00 51.02 H new ATOM 216 N GLU A 14 -10.399 9.845 -17.434 1.00 1.35 N ATOM 217 CA GLU A 14 -9.413 10.684 -18.105 1.00 24.14 C ATOM 218 C GLU A 14 -10.022 12.023 -18.510 1.00 32.15 C ATOM 219 O GLU A 14 -10.206 12.301 -19.695 1.00 12.14 O ATOM 220 CB GLU A 14 -8.858 9.969 -19.339 1.00 12.41 C ATOM 221 CG GLU A 14 -7.476 10.449 -19.750 1.00 74.23 C ATOM 222 CD GLU A 14 -6.364 9.657 -19.091 1.00 61.44 C ATOM 223 OE1 GLU A 14 -6.532 9.261 -17.919 1.00 13.23 O ATOM 224 OE2 GLU A 14 -5.325 9.432 -19.747 1.00 55.35 O ATOM 0 H GLU A 14 -11.368 10.101 -17.621 1.00 1.35 H new ATOM 0 HA GLU A 14 -8.598 10.873 -17.406 1.00 24.14 H new ATOM 0 HB2 GLU A 14 -8.817 8.898 -19.140 1.00 12.41 H new ATOM 0 HB3 GLU A 14 -9.546 10.113 -20.172 1.00 12.41 H new ATOM 0 HG2 GLU A 14 -7.377 10.375 -20.833 1.00 74.23 H new ATOM 0 HG3 GLU A 14 -7.369 11.502 -19.491 1.00 74.23 H new ATOM 231 N VAL A 15 -10.334 12.849 -17.516 1.00 12.10 N ATOM 232 CA VAL A 15 -10.923 14.159 -17.767 1.00 44.23 C ATOM 233 C VAL A 15 -9.845 15.230 -17.895 1.00 52.20 C ATOM 234 O VAL A 15 -8.732 15.067 -17.396 1.00 74.11 O ATOM 235 CB VAL A 15 -11.899 14.560 -16.646 1.00 13.32 C ATOM 236 CG1 VAL A 15 -12.723 15.769 -17.062 1.00 52.21 C ATOM 237 CG2 VAL A 15 -12.801 13.390 -16.281 1.00 44.41 C ATOM 0 H VAL A 15 -10.189 12.634 -16.530 1.00 12.10 H new ATOM 0 HA VAL A 15 -11.472 14.085 -18.706 1.00 44.23 H new ATOM 0 HB VAL A 15 -11.319 14.832 -15.764 1.00 13.32 H new ATOM 0 HG11 VAL A 15 -13.407 16.038 -16.257 1.00 52.21 H new ATOM 0 HG12 VAL A 15 -12.059 16.608 -17.269 1.00 52.21 H new ATOM 0 HG13 VAL A 15 -13.294 15.529 -17.959 1.00 52.21 H new ATOM 0 HG21 VAL A 15 -13.484 13.691 -15.487 1.00 44.41 H new ATOM 0 HG22 VAL A 15 -13.374 13.085 -17.157 1.00 44.41 H new ATOM 0 HG23 VAL A 15 -12.192 12.554 -15.937 1.00 44.41 H new ATOM 247 N GLU A 16 -10.185 16.326 -18.567 1.00 5.14 N ATOM 248 CA GLU A 16 -9.245 17.424 -18.760 1.00 1.31 C ATOM 249 C GLU A 16 -9.185 18.313 -17.521 1.00 41.52 C ATOM 250 O GLU A 16 -8.163 18.376 -16.838 1.00 45.32 O ATOM 251 CB GLU A 16 -9.643 18.257 -19.980 1.00 55.11 C ATOM 252 CG GLU A 16 -8.563 18.331 -21.046 1.00 72.41 C ATOM 253 CD GLU A 16 -7.575 19.454 -20.799 1.00 21.33 C ATOM 254 OE1 GLU A 16 -7.155 19.630 -19.636 1.00 64.52 O ATOM 255 OE2 GLU A 16 -7.222 20.157 -21.769 1.00 23.33 O ATOM 0 H GLU A 16 -11.103 16.477 -18.986 1.00 5.14 H new ATOM 0 HA GLU A 16 -8.256 16.997 -18.928 1.00 1.31 H new ATOM 0 HB2 GLU A 16 -10.546 17.834 -20.419 1.00 55.11 H new ATOM 0 HB3 GLU A 16 -9.890 19.267 -19.654 1.00 55.11 H new ATOM 0 HG2 GLU A 16 -8.027 17.382 -21.082 1.00 72.41 H new ATOM 0 HG3 GLU A 16 -9.029 18.471 -22.021 1.00 72.41 H new ATOM 262 N ARG A 17 -10.288 18.999 -17.239 1.00 5.54 N ATOM 263 CA ARG A 17 -10.360 19.887 -16.084 1.00 35.41 C ATOM 264 C ARG A 17 -11.778 20.420 -15.897 1.00 2.11 C ATOM 265 O ARG A 17 -12.614 20.318 -16.795 1.00 64.44 O ATOM 266 CB ARG A 17 -9.383 21.052 -16.247 1.00 23.24 C ATOM 267 CG ARG A 17 -9.979 22.252 -16.964 1.00 32.21 C ATOM 268 CD ARG A 17 -10.494 21.876 -18.345 1.00 3.22 C ATOM 269 NE ARG A 17 -10.239 22.926 -19.328 1.00 32.21 N ATOM 270 CZ ARG A 17 -9.071 23.093 -19.938 1.00 54.34 C ATOM 271 NH1 ARG A 17 -8.056 22.284 -19.669 1.00 13.24 N ATOM 272 NH2 ARG A 17 -8.917 24.072 -20.821 1.00 74.24 N ATOM 0 H ARG A 17 -11.143 18.957 -17.794 1.00 5.54 H new ATOM 0 HA ARG A 17 -10.085 19.314 -15.199 1.00 35.41 H new ATOM 0 HB2 ARG A 17 -9.035 21.364 -15.262 1.00 23.24 H new ATOM 0 HB3 ARG A 17 -8.509 20.707 -16.799 1.00 23.24 H new ATOM 0 HG2 ARG A 17 -10.795 22.664 -16.370 1.00 32.21 H new ATOM 0 HG3 ARG A 17 -9.225 23.034 -17.056 1.00 32.21 H new ATOM 0 HD2 ARG A 17 -10.018 20.951 -18.670 1.00 3.22 H new ATOM 0 HD3 ARG A 17 -11.565 21.681 -18.292 1.00 3.22 H new ATOM 0 HE ARG A 17 -10.999 23.566 -19.558 1.00 32.21 H new ATOM 0 HH11 ARG A 17 -8.170 21.530 -18.992 1.00 13.24 H new ATOM 0 HH12 ARG A 17 -7.161 22.415 -20.139 1.00 13.24 H new ATOM 0 HH21 ARG A 17 -9.696 24.696 -21.031 1.00 74.24 H new ATOM 0 HH22 ARG A 17 -8.020 24.200 -21.289 1.00 74.24 H new ATOM 286 N ILE A 18 -12.040 20.989 -14.725 1.00 75.21 N ATOM 287 CA ILE A 18 -13.356 21.538 -14.421 1.00 42.51 C ATOM 288 C ILE A 18 -13.606 22.827 -15.198 1.00 31.32 C ATOM 289 O ILE A 18 -12.986 23.856 -14.931 1.00 23.03 O ATOM 290 CB ILE A 18 -13.514 21.821 -12.915 1.00 45.14 C ATOM 291 CG1 ILE A 18 -13.171 20.572 -12.101 1.00 71.21 C ATOM 292 CG2 ILE A 18 -14.929 22.288 -12.610 1.00 21.24 C ATOM 293 CD1 ILE A 18 -14.313 19.585 -12.000 1.00 21.04 C ATOM 0 H ILE A 18 -11.359 21.082 -13.971 1.00 75.21 H new ATOM 0 HA ILE A 18 -14.088 20.788 -14.720 1.00 42.51 H new ATOM 0 HB ILE A 18 -12.822 22.615 -12.634 1.00 45.14 H new ATOM 0 HG12 ILE A 18 -12.312 20.077 -12.555 1.00 71.21 H new ATOM 0 HG13 ILE A 18 -12.872 20.873 -11.097 1.00 71.21 H new ATOM 0 HG21 ILE A 18 -15.025 22.484 -11.542 1.00 21.24 H new ATOM 0 HG22 ILE A 18 -15.139 23.201 -13.167 1.00 21.24 H new ATOM 0 HG23 ILE A 18 -15.639 21.514 -12.902 1.00 21.24 H new ATOM 0 HD11 ILE A 18 -13.999 18.724 -11.409 1.00 21.04 H new ATOM 0 HD12 ILE A 18 -15.166 20.064 -11.519 1.00 21.04 H new ATOM 0 HD13 ILE A 18 -14.598 19.255 -12.999 1.00 21.04 H new ATOM 305 N VAL A 19 -14.521 22.763 -16.160 1.00 30.10 N ATOM 306 CA VAL A 19 -14.856 23.925 -16.974 1.00 74.02 C ATOM 307 C VAL A 19 -15.380 25.068 -16.112 1.00 32.34 C ATOM 308 O VAL A 19 -14.853 26.180 -16.150 1.00 31.44 O ATOM 309 CB VAL A 19 -15.911 23.577 -18.041 1.00 70.05 C ATOM 310 CG1 VAL A 19 -16.066 24.721 -19.032 1.00 63.43 C ATOM 311 CG2 VAL A 19 -15.539 22.287 -18.757 1.00 43.31 C ATOM 0 H VAL A 19 -15.043 21.919 -16.395 1.00 30.10 H new ATOM 0 HA VAL A 19 -13.937 24.239 -17.470 1.00 74.02 H new ATOM 0 HB VAL A 19 -16.869 23.426 -17.544 1.00 70.05 H new ATOM 0 HG11 VAL A 19 -16.815 24.457 -19.778 1.00 63.43 H new ATOM 0 HG12 VAL A 19 -16.382 25.620 -18.503 1.00 63.43 H new ATOM 0 HG13 VAL A 19 -15.112 24.906 -19.526 1.00 63.43 H new ATOM 0 HG21 VAL A 19 -16.295 22.056 -19.507 1.00 43.31 H new ATOM 0 HG22 VAL A 19 -14.571 22.407 -19.243 1.00 43.31 H new ATOM 0 HG23 VAL A 19 -15.484 21.473 -18.035 1.00 43.31 H new ATOM 321 N ARG A 20 -16.420 24.786 -15.334 1.00 15.00 N ATOM 322 CA ARG A 20 -17.017 25.791 -14.462 1.00 25.33 C ATOM 323 C ARG A 20 -17.880 25.135 -13.388 1.00 52.11 C ATOM 324 O ARG A 20 -17.906 23.911 -13.259 1.00 14.04 O ATOM 325 CB ARG A 20 -17.858 26.772 -15.279 1.00 51.24 C ATOM 326 CG ARG A 20 -18.971 26.107 -16.072 1.00 72.41 C ATOM 327 CD ARG A 20 -18.616 25.996 -17.546 1.00 64.25 C ATOM 328 NE ARG A 20 -19.746 26.330 -18.409 1.00 30.42 N ATOM 329 CZ ARG A 20 -19.616 26.734 -19.667 1.00 50.33 C ATOM 330 NH1 ARG A 20 -18.411 26.854 -20.207 1.00 52.24 N ATOM 331 NH2 ARG A 20 -20.693 27.019 -20.388 1.00 42.44 N ATOM 0 H ARG A 20 -16.867 23.870 -15.290 1.00 15.00 H new ATOM 0 HA ARG A 20 -16.210 26.336 -13.972 1.00 25.33 H new ATOM 0 HB2 ARG A 20 -18.294 27.511 -14.607 1.00 51.24 H new ATOM 0 HB3 ARG A 20 -17.206 27.311 -15.966 1.00 51.24 H new ATOM 0 HG2 ARG A 20 -19.164 25.113 -15.667 1.00 72.41 H new ATOM 0 HG3 ARG A 20 -19.891 26.681 -15.961 1.00 72.41 H new ATOM 0 HD2 ARG A 20 -17.781 26.661 -17.769 1.00 64.25 H new ATOM 0 HD3 ARG A 20 -18.282 24.981 -17.763 1.00 64.25 H new ATOM 0 HE ARG A 20 -20.687 26.248 -18.024 1.00 30.42 H new ATOM 0 HH11 ARG A 20 -17.581 26.636 -19.656 1.00 52.24 H new ATOM 0 HH12 ARG A 20 -18.314 27.165 -21.174 1.00 52.24 H new ATOM 0 HH21 ARG A 20 -21.622 26.928 -19.976 1.00 42.44 H new ATOM 0 HH22 ARG A 20 -20.592 27.329 -21.354 1.00 42.44 H new ATOM 345 N LYS A 21 -18.586 25.958 -12.620 1.00 4.14 N ATOM 346 CA LYS A 21 -19.451 25.460 -11.557 1.00 54.03 C ATOM 347 C LYS A 21 -20.590 26.436 -11.281 1.00 54.22 C ATOM 348 O LYS A 21 -20.488 27.626 -11.579 1.00 51.41 O ATOM 349 CB LYS A 21 -18.643 25.228 -10.279 1.00 2.42 C ATOM 350 CG LYS A 21 -18.194 26.512 -9.602 1.00 42.01 C ATOM 351 CD LYS A 21 -17.737 26.260 -8.175 1.00 64.32 C ATOM 352 CE LYS A 21 -18.211 27.358 -7.236 1.00 30.45 C ATOM 353 NZ LYS A 21 -17.866 28.713 -7.747 1.00 22.11 N ATOM 0 H LYS A 21 -18.576 26.974 -12.714 1.00 4.14 H new ATOM 0 HA LYS A 21 -19.879 24.513 -11.885 1.00 54.03 H new ATOM 0 HB2 LYS A 21 -19.245 24.649 -9.579 1.00 2.42 H new ATOM 0 HB3 LYS A 21 -17.766 24.627 -10.518 1.00 2.42 H new ATOM 0 HG2 LYS A 21 -17.380 26.959 -10.172 1.00 42.01 H new ATOM 0 HG3 LYS A 21 -19.014 27.230 -9.601 1.00 42.01 H new ATOM 0 HD2 LYS A 21 -18.119 25.298 -7.834 1.00 64.32 H new ATOM 0 HD3 LYS A 21 -16.649 26.199 -8.146 1.00 64.32 H new ATOM 0 HE2 LYS A 21 -19.291 27.283 -7.106 1.00 30.45 H new ATOM 0 HE3 LYS A 21 -17.761 27.215 -6.254 1.00 30.45 H new ATOM 0 HZ1 LYS A 21 -17.558 29.314 -6.956 1.00 22.11 H new ATOM 0 HZ2 LYS A 21 -17.098 28.636 -8.444 1.00 22.11 H new ATOM 0 HZ3 LYS A 21 -18.701 29.137 -8.199 1.00 22.11 H new ATOM 367 N LYS A 22 -21.675 25.926 -10.709 1.00 34.33 N ATOM 368 CA LYS A 22 -22.833 26.752 -10.389 1.00 53.21 C ATOM 369 C LYS A 22 -23.840 25.976 -9.546 1.00 61.21 C ATOM 370 O LYS A 22 -24.001 24.766 -9.713 1.00 1.43 O ATOM 371 CB LYS A 22 -23.502 27.248 -11.673 1.00 71.54 C ATOM 372 CG LYS A 22 -24.347 26.192 -12.365 1.00 71.13 C ATOM 373 CD LYS A 22 -25.829 26.410 -12.113 1.00 14.54 C ATOM 374 CE LYS A 22 -26.556 26.827 -13.382 1.00 62.14 C ATOM 375 NZ LYS A 22 -27.990 27.136 -13.125 1.00 45.51 N ATOM 0 H LYS A 22 -21.777 24.943 -10.457 1.00 34.33 H new ATOM 0 HA LYS A 22 -22.487 27.609 -9.812 1.00 53.21 H new ATOM 0 HB2 LYS A 22 -24.130 28.107 -11.437 1.00 71.54 H new ATOM 0 HB3 LYS A 22 -22.733 27.595 -12.363 1.00 71.54 H new ATOM 0 HG2 LYS A 22 -24.152 26.214 -13.437 1.00 71.13 H new ATOM 0 HG3 LYS A 22 -24.058 25.203 -12.009 1.00 71.13 H new ATOM 0 HD2 LYS A 22 -26.271 25.493 -11.724 1.00 14.54 H new ATOM 0 HD3 LYS A 22 -25.960 27.176 -11.349 1.00 14.54 H new ATOM 0 HE2 LYS A 22 -26.067 27.702 -13.809 1.00 62.14 H new ATOM 0 HE3 LYS A 22 -26.483 26.029 -14.121 1.00 62.14 H new ATOM 0 HZ1 LYS A 22 -28.450 27.416 -14.015 1.00 45.51 H new ATOM 0 HZ2 LYS A 22 -28.463 26.293 -12.741 1.00 45.51 H new ATOM 0 HZ3 LYS A 22 -28.060 27.915 -12.439 1.00 45.51 H new ATOM 389 N ILE A 23 -24.515 26.679 -8.643 1.00 20.52 N ATOM 390 CA ILE A 23 -25.507 26.055 -7.776 1.00 74.24 C ATOM 391 C ILE A 23 -26.916 26.522 -8.128 1.00 44.50 C ATOM 392 O ILE A 23 -27.110 27.643 -8.599 1.00 42.05 O ATOM 393 CB ILE A 23 -25.232 26.362 -6.293 1.00 11.24 C ATOM 394 CG1 ILE A 23 -25.796 27.735 -5.920 1.00 40.05 C ATOM 395 CG2 ILE A 23 -23.739 26.302 -6.007 1.00 61.15 C ATOM 396 CD1 ILE A 23 -27.190 27.677 -5.337 1.00 55.51 C ATOM 0 H ILE A 23 -24.393 27.680 -8.493 1.00 20.52 H new ATOM 0 HA ILE A 23 -25.433 24.979 -7.935 1.00 74.24 H new ATOM 0 HB ILE A 23 -25.730 25.608 -5.684 1.00 11.24 H new ATOM 0 HG12 ILE A 23 -25.129 28.209 -5.200 1.00 40.05 H new ATOM 0 HG13 ILE A 23 -25.808 28.367 -6.808 1.00 40.05 H new ATOM 0 HG21 ILE A 23 -23.561 26.521 -4.954 1.00 61.15 H new ATOM 0 HG22 ILE A 23 -23.364 25.305 -6.238 1.00 61.15 H new ATOM 0 HG23 ILE A 23 -23.221 27.037 -6.623 1.00 61.15 H new ATOM 0 HD11 ILE A 23 -27.526 28.686 -5.096 1.00 55.51 H new ATOM 0 HD12 ILE A 23 -27.870 27.232 -6.063 1.00 55.51 H new ATOM 0 HD13 ILE A 23 -27.180 27.072 -4.431 1.00 55.51 H new ATOM 408 N VAL A 24 -27.897 25.657 -7.894 1.00 24.52 N ATOM 409 CA VAL A 24 -29.288 25.981 -8.183 1.00 13.43 C ATOM 410 C VAL A 24 -30.205 25.522 -7.055 1.00 14.43 C ATOM 411 O VAL A 24 -30.220 24.346 -6.691 1.00 64.24 O ATOM 412 CB VAL A 24 -29.753 25.336 -9.502 1.00 41.40 C ATOM 413 CG1 VAL A 24 -30.698 26.266 -10.247 1.00 53.22 C ATOM 414 CG2 VAL A 24 -28.556 24.974 -10.368 1.00 21.01 C ATOM 0 H VAL A 24 -27.754 24.725 -7.505 1.00 24.52 H new ATOM 0 HA VAL A 24 -29.347 27.065 -8.277 1.00 13.43 H new ATOM 0 HB VAL A 24 -30.294 24.419 -9.267 1.00 41.40 H new ATOM 0 HG11 VAL A 24 -31.016 25.793 -11.176 1.00 53.22 H new ATOM 0 HG12 VAL A 24 -31.571 26.471 -9.627 1.00 53.22 H new ATOM 0 HG13 VAL A 24 -30.185 27.201 -10.472 1.00 53.22 H new ATOM 0 HG21 VAL A 24 -28.903 24.519 -11.296 1.00 21.01 H new ATOM 0 HG22 VAL A 24 -27.986 25.875 -10.596 1.00 21.01 H new ATOM 0 HG23 VAL A 24 -27.920 24.268 -9.833 1.00 21.01 H new ATOM 424 N HIS A 25 -30.971 26.459 -6.504 1.00 33.22 N ATOM 425 CA HIS A 25 -31.893 26.150 -5.417 1.00 15.33 C ATOM 426 C HIS A 25 -31.159 25.498 -4.249 1.00 45.44 C ATOM 427 O HIS A 25 -31.754 24.768 -3.458 1.00 42.30 O ATOM 428 CB HIS A 25 -33.008 25.228 -5.912 1.00 13.35 C ATOM 429 CG HIS A 25 -34.333 25.490 -5.264 1.00 33.50 C ATOM 430 ND1 HIS A 25 -34.769 24.816 -4.142 1.00 63.24 N ATOM 431 CD2 HIS A 25 -35.320 26.359 -5.586 1.00 21.52 C ATOM 432 CE1 HIS A 25 -35.967 25.258 -3.803 1.00 65.23 C ATOM 433 NE2 HIS A 25 -36.324 26.195 -4.663 1.00 64.20 N ATOM 0 H HIS A 25 -30.971 27.437 -6.792 1.00 33.22 H new ATOM 0 HA HIS A 25 -32.332 27.085 -5.070 1.00 15.33 H new ATOM 0 HB2 HIS A 25 -33.111 25.343 -6.991 1.00 13.35 H new ATOM 0 HB3 HIS A 25 -32.721 24.193 -5.728 1.00 13.35 H new ATOM 0 HD2 HIS A 25 -35.318 27.052 -6.414 1.00 21.52 H new ATOM 0 HE1 HIS A 25 -36.554 24.912 -2.965 1.00 65.23 H new ATOM 0 HE2 HIS A 25 -37.203 26.713 -4.645 1.00 64.20 H new ATOM 441 N GLY A 26 -29.860 25.767 -4.149 1.00 71.13 N ATOM 442 CA GLY A 26 -29.065 25.198 -3.077 1.00 34.14 C ATOM 443 C GLY A 26 -28.372 23.914 -3.487 1.00 45.32 C ATOM 444 O GLY A 26 -27.838 23.193 -2.646 1.00 21.13 O ATOM 0 H GLY A 26 -29.345 26.369 -4.792 1.00 71.13 H new ATOM 0 HA2 GLY A 26 -28.318 25.925 -2.758 1.00 34.14 H new ATOM 0 HA3 GLY A 26 -29.706 25.002 -2.218 1.00 34.14 H new ATOM 448 N ASN A 27 -28.380 23.628 -4.785 1.00 72.30 N ATOM 449 CA ASN A 27 -27.749 22.421 -5.305 1.00 64.44 C ATOM 450 C ASN A 27 -26.535 22.768 -6.162 1.00 61.22 C ATOM 451 O ASN A 27 -26.672 23.233 -7.294 1.00 41.31 O ATOM 452 CB ASN A 27 -28.752 21.609 -6.128 1.00 22.15 C ATOM 453 CG ASN A 27 -29.986 21.237 -5.329 1.00 74.44 C ATOM 454 OD1 ASN A 27 -30.071 21.509 -4.132 1.00 5.41 O ATOM 455 ND2 ASN A 27 -30.952 20.610 -5.991 1.00 62.44 N ATOM 0 H ASN A 27 -28.816 24.216 -5.495 1.00 72.30 H new ATOM 0 HA ASN A 27 -27.415 21.822 -4.458 1.00 64.44 H new ATOM 0 HB2 ASN A 27 -29.050 22.185 -7.005 1.00 22.15 H new ATOM 0 HB3 ASN A 27 -28.270 20.701 -6.491 1.00 22.15 H new ATOM 0 HD21 ASN A 27 -31.806 20.334 -5.507 1.00 62.44 H new ATOM 0 HD22 ASN A 27 -30.839 20.404 -6.984 1.00 62.44 H new ATOM 462 N THR A 28 -25.345 22.538 -5.615 1.00 34.43 N ATOM 463 CA THR A 28 -24.107 22.826 -6.327 1.00 73.04 C ATOM 464 C THR A 28 -23.911 21.869 -7.498 1.00 2.04 C ATOM 465 O THR A 28 -24.278 20.697 -7.422 1.00 32.34 O ATOM 466 CB THR A 28 -22.886 22.733 -5.393 1.00 14.43 C ATOM 467 OG1 THR A 28 -23.230 23.217 -4.089 1.00 45.03 O ATOM 468 CG2 THR A 28 -21.719 23.537 -5.946 1.00 71.31 C ATOM 0 H THR A 28 -25.213 22.153 -4.680 1.00 34.43 H new ATOM 0 HA THR A 28 -24.189 23.845 -6.704 1.00 73.04 H new ATOM 0 HB THR A 28 -22.586 21.687 -5.325 1.00 14.43 H new ATOM 0 HG1 THR A 28 -22.473 23.084 -3.481 1.00 45.03 H new ATOM 0 HG21 THR A 28 -20.868 23.456 -5.269 1.00 71.31 H new ATOM 0 HG22 THR A 28 -21.441 23.149 -6.926 1.00 71.31 H new ATOM 0 HG23 THR A 28 -22.010 24.583 -6.040 1.00 71.31 H new ATOM 476 N SER A 29 -23.328 22.376 -8.579 1.00 54.24 N ATOM 477 CA SER A 29 -23.086 21.566 -9.768 1.00 2.54 C ATOM 478 C SER A 29 -21.763 21.949 -10.425 1.00 21.34 C ATOM 479 O SER A 29 -21.514 23.121 -10.708 1.00 64.44 O ATOM 480 CB SER A 29 -24.232 21.734 -10.767 1.00 62.53 C ATOM 481 OG SER A 29 -25.483 21.472 -10.156 1.00 55.24 O ATOM 0 H SER A 29 -23.014 23.343 -8.657 1.00 54.24 H new ATOM 0 HA SER A 29 -23.031 20.521 -9.462 1.00 2.54 H new ATOM 0 HB2 SER A 29 -24.224 22.748 -11.167 1.00 62.53 H new ATOM 0 HB3 SER A 29 -24.086 21.058 -11.609 1.00 62.53 H new ATOM 0 HG SER A 29 -26.199 21.588 -10.815 1.00 55.24 H new ATOM 487 N TYR A 30 -20.919 20.951 -10.663 1.00 44.54 N ATOM 488 CA TYR A 30 -19.620 21.182 -11.285 1.00 23.14 C ATOM 489 C TYR A 30 -19.617 20.707 -12.734 1.00 54.25 C ATOM 490 O TYR A 30 -19.815 19.524 -13.013 1.00 75.23 O ATOM 491 CB TYR A 30 -18.521 20.464 -10.499 1.00 62.14 C ATOM 492 CG TYR A 30 -18.023 21.244 -9.303 1.00 73.52 C ATOM 493 CD1 TYR A 30 -18.909 21.730 -8.350 1.00 10.35 C ATOM 494 CD2 TYR A 30 -16.668 21.494 -9.127 1.00 52.30 C ATOM 495 CE1 TYR A 30 -18.459 22.444 -7.255 1.00 73.33 C ATOM 496 CE2 TYR A 30 -16.209 22.205 -8.035 1.00 55.42 C ATOM 497 CZ TYR A 30 -17.109 22.678 -7.102 1.00 43.23 C ATOM 498 OH TYR A 30 -16.656 23.388 -6.014 1.00 42.20 O ATOM 0 H TYR A 30 -21.111 19.975 -10.435 1.00 44.54 H new ATOM 0 HA TYR A 30 -19.426 22.254 -11.273 1.00 23.14 H new ATOM 0 HB2 TYR A 30 -18.899 19.499 -10.161 1.00 62.14 H new ATOM 0 HB3 TYR A 30 -17.682 20.262 -11.165 1.00 62.14 H new ATOM 0 HD1 TYR A 30 -19.967 21.547 -8.466 1.00 10.35 H new ATOM 0 HD2 TYR A 30 -15.961 21.126 -9.856 1.00 52.30 H new ATOM 0 HE1 TYR A 30 -19.161 22.816 -6.524 1.00 73.33 H new ATOM 0 HE2 TYR A 30 -15.152 22.390 -7.912 1.00 55.42 H new ATOM 0 HH TYR A 30 -15.879 22.933 -5.627 1.00 42.20 H new ATOM 508 N LEU A 31 -19.391 21.638 -13.654 1.00 52.45 N ATOM 509 CA LEU A 31 -19.362 21.317 -15.077 1.00 43.12 C ATOM 510 C LEU A 31 -17.941 21.002 -15.535 1.00 33.52 C ATOM 511 O LEU A 31 -17.075 21.876 -15.552 1.00 25.45 O ATOM 512 CB LEU A 31 -19.927 22.480 -15.895 1.00 4.24 C ATOM 513 CG LEU A 31 -20.132 22.215 -17.386 1.00 74.43 C ATOM 514 CD1 LEU A 31 -20.980 20.969 -17.595 1.00 13.52 C ATOM 515 CD2 LEU A 31 -20.775 23.419 -18.059 1.00 35.24 C ATOM 0 H LEU A 31 -19.225 22.621 -13.440 1.00 52.45 H new ATOM 0 HA LEU A 31 -19.981 20.434 -15.237 1.00 43.12 H new ATOM 0 HB2 LEU A 31 -20.885 22.770 -15.463 1.00 4.24 H new ATOM 0 HB3 LEU A 31 -19.257 23.333 -15.787 1.00 4.24 H new ATOM 0 HG LEU A 31 -19.157 22.047 -17.843 1.00 74.43 H new ATOM 0 HD11 LEU A 31 -21.115 20.796 -18.663 1.00 13.52 H new ATOM 0 HD12 LEU A 31 -20.480 20.109 -17.149 1.00 13.52 H new ATOM 0 HD13 LEU A 31 -21.953 21.108 -17.124 1.00 13.52 H new ATOM 0 HD21 LEU A 31 -20.913 23.212 -19.120 1.00 35.24 H new ATOM 0 HD22 LEU A 31 -21.743 23.619 -17.599 1.00 35.24 H new ATOM 0 HD23 LEU A 31 -20.130 24.290 -17.940 1.00 35.24 H new ATOM 527 N VAL A 32 -17.710 19.747 -15.908 1.00 32.22 N ATOM 528 CA VAL A 32 -16.396 19.316 -16.369 1.00 41.13 C ATOM 529 C VAL A 32 -16.469 18.746 -17.781 1.00 61.23 C ATOM 530 O VAL A 32 -17.390 18.000 -18.115 1.00 23.31 O ATOM 531 CB VAL A 32 -15.791 18.256 -15.430 1.00 2.00 C ATOM 532 CG1 VAL A 32 -16.545 16.941 -15.552 1.00 72.13 C ATOM 533 CG2 VAL A 32 -14.312 18.062 -15.729 1.00 60.30 C ATOM 0 H VAL A 32 -18.416 19.011 -15.900 1.00 32.22 H new ATOM 0 HA VAL A 32 -15.756 20.198 -16.369 1.00 41.13 H new ATOM 0 HB VAL A 32 -15.888 18.608 -14.403 1.00 2.00 H new ATOM 0 HG11 VAL A 32 -16.103 16.204 -14.881 1.00 72.13 H new ATOM 0 HG12 VAL A 32 -17.590 17.095 -15.284 1.00 72.13 H new ATOM 0 HG13 VAL A 32 -16.483 16.580 -16.579 1.00 72.13 H new ATOM 0 HG21 VAL A 32 -13.900 17.310 -15.056 1.00 60.30 H new ATOM 0 HG22 VAL A 32 -14.190 17.732 -16.761 1.00 60.30 H new ATOM 0 HG23 VAL A 32 -13.785 19.005 -15.585 1.00 60.30 H new ATOM 543 N LYS A 33 -15.492 19.101 -18.608 1.00 43.43 N ATOM 544 CA LYS A 33 -15.442 18.624 -19.985 1.00 54.42 C ATOM 545 C LYS A 33 -14.896 17.202 -20.049 1.00 25.20 C ATOM 546 O LYS A 33 -14.709 16.552 -19.020 1.00 51.11 O ATOM 547 CB LYS A 33 -14.576 19.554 -20.838 1.00 21.10 C ATOM 548 CG LYS A 33 -13.162 19.722 -20.310 1.00 22.33 C ATOM 549 CD LYS A 33 -12.397 20.779 -21.088 1.00 55.32 C ATOM 550 CE LYS A 33 -12.914 22.177 -20.784 1.00 53.25 C ATOM 551 NZ LYS A 33 -12.237 23.211 -21.615 1.00 12.52 N ATOM 0 H LYS A 33 -14.723 19.718 -18.348 1.00 43.43 H new ATOM 0 HA LYS A 33 -16.458 18.622 -20.379 1.00 54.42 H new ATOM 0 HB2 LYS A 33 -14.531 19.164 -21.855 1.00 21.10 H new ATOM 0 HB3 LYS A 33 -15.053 20.532 -20.893 1.00 21.10 H new ATOM 0 HG2 LYS A 33 -13.197 19.999 -19.256 1.00 22.33 H new ATOM 0 HG3 LYS A 33 -12.634 18.770 -20.372 1.00 22.33 H new ATOM 0 HD2 LYS A 33 -11.337 20.720 -20.839 1.00 55.32 H new ATOM 0 HD3 LYS A 33 -12.485 20.581 -22.156 1.00 55.32 H new ATOM 0 HE2 LYS A 33 -13.989 22.214 -20.963 1.00 53.25 H new ATOM 0 HE3 LYS A 33 -12.759 22.400 -19.728 1.00 53.25 H new ATOM 0 HZ1 LYS A 33 -12.378 24.148 -21.186 1.00 12.52 H new ATOM 0 HZ2 LYS A 33 -11.219 23.003 -21.667 1.00 12.52 H new ATOM 0 HZ3 LYS A 33 -12.641 23.205 -22.573 1.00 12.52 H new ATOM 565 N TRP A 34 -14.640 16.725 -21.262 1.00 4.42 N ATOM 566 CA TRP A 34 -14.112 15.380 -21.459 1.00 33.24 C ATOM 567 C TRP A 34 -12.796 15.418 -22.226 1.00 64.13 C ATOM 568 O TRP A 34 -12.770 15.238 -23.444 1.00 44.10 O ATOM 569 CB TRP A 34 -15.129 14.516 -22.207 1.00 43.13 C ATOM 570 CG TRP A 34 -16.405 14.308 -21.449 1.00 42.52 C ATOM 571 CD1 TRP A 34 -16.574 14.373 -20.096 1.00 3.55 C ATOM 572 CD2 TRP A 34 -17.689 14.000 -22.001 1.00 53.44 C ATOM 573 NE1 TRP A 34 -17.886 14.124 -19.773 1.00 41.30 N ATOM 574 CE2 TRP A 34 -18.591 13.893 -20.924 1.00 40.45 C ATOM 575 CE3 TRP A 34 -18.166 13.807 -23.301 1.00 20.34 C ATOM 576 CZ2 TRP A 34 -19.939 13.600 -21.109 1.00 54.24 C ATOM 577 CZ3 TRP A 34 -19.505 13.515 -23.482 1.00 45.45 C ATOM 578 CH2 TRP A 34 -20.379 13.415 -22.392 1.00 41.21 C ATOM 0 H TRP A 34 -14.790 17.250 -22.124 1.00 4.42 H new ATOM 0 HA TRP A 34 -13.925 14.942 -20.478 1.00 33.24 H new ATOM 0 HB2 TRP A 34 -15.356 14.983 -23.165 1.00 43.13 H new ATOM 0 HB3 TRP A 34 -14.681 13.546 -22.423 1.00 43.13 H new ATOM 0 HD1 TRP A 34 -15.791 14.589 -19.384 1.00 3.55 H new ATOM 0 HE1 TRP A 34 -18.272 14.113 -18.829 1.00 41.30 H new ATOM 0 HE3 TRP A 34 -17.501 13.885 -24.148 1.00 20.34 H new ATOM 0 HZ2 TRP A 34 -20.614 13.521 -20.270 1.00 54.24 H new ATOM 0 HZ3 TRP A 34 -19.884 13.361 -24.482 1.00 45.45 H new ATOM 0 HH2 TRP A 34 -21.420 13.188 -22.567 1.00 41.21 H new ATOM 589 N LYS A 35 -11.703 15.653 -21.507 1.00 71.14 N ATOM 590 CA LYS A 35 -10.382 15.713 -22.120 1.00 44.24 C ATOM 591 C LYS A 35 -10.359 16.719 -23.267 1.00 2.45 C ATOM 592 O LYS A 35 -9.681 16.513 -24.272 1.00 53.14 O ATOM 593 CB LYS A 35 -9.971 14.331 -22.633 1.00 20.10 C ATOM 594 CG LYS A 35 -8.490 14.215 -22.949 1.00 60.24 C ATOM 595 CD LYS A 35 -8.239 13.255 -24.101 1.00 13.24 C ATOM 596 CE LYS A 35 -6.784 13.283 -24.542 1.00 71.24 C ATOM 597 NZ LYS A 35 -6.079 12.015 -24.208 1.00 62.42 N ATOM 0 H LYS A 35 -11.707 15.805 -20.498 1.00 71.14 H new ATOM 0 HA LYS A 35 -9.672 16.038 -21.360 1.00 44.24 H new ATOM 0 HB2 LYS A 35 -10.234 13.582 -21.886 1.00 20.10 H new ATOM 0 HB3 LYS A 35 -10.545 14.101 -23.531 1.00 20.10 H new ATOM 0 HG2 LYS A 35 -8.093 15.198 -23.200 1.00 60.24 H new ATOM 0 HG3 LYS A 35 -7.954 13.871 -22.064 1.00 60.24 H new ATOM 0 HD2 LYS A 35 -8.509 12.243 -23.799 1.00 13.24 H new ATOM 0 HD3 LYS A 35 -8.880 13.518 -24.942 1.00 13.24 H new ATOM 0 HE2 LYS A 35 -6.734 13.454 -25.617 1.00 71.24 H new ATOM 0 HE3 LYS A 35 -6.275 14.119 -24.062 1.00 71.24 H new ATOM 0 HZ1 LYS A 35 -5.090 12.074 -24.525 1.00 62.42 H new ATOM 0 HZ2 LYS A 35 -6.105 11.864 -23.179 1.00 62.42 H new ATOM 0 HZ3 LYS A 35 -6.549 11.220 -24.686 1.00 62.42 H new ATOM 611 N ASN A 36 -11.103 17.809 -23.106 1.00 42.03 N ATOM 612 CA ASN A 36 -11.167 18.848 -24.128 1.00 22.11 C ATOM 613 C ASN A 36 -11.820 18.319 -25.401 1.00 53.31 C ATOM 614 O ASN A 36 -11.615 18.861 -26.488 1.00 31.24 O ATOM 615 CB ASN A 36 -9.764 19.371 -24.441 1.00 3.50 C ATOM 616 CG ASN A 36 -9.542 20.779 -23.921 1.00 73.30 C ATOM 617 OD1 ASN A 36 -9.714 20.961 -22.617 1.00 65.50 O flip ATOM 618 ND2 ASN A 36 -9.221 21.691 -24.683 1.00 10.31 N flip ATOM 0 H ASN A 36 -11.669 17.996 -22.278 1.00 42.03 H new ATOM 0 HA ASN A 36 -11.775 19.666 -23.742 1.00 22.11 H new ATOM 0 HB2 ASN A 36 -9.024 18.703 -24.001 1.00 3.50 H new ATOM 0 HB3 ASN A 36 -9.606 19.356 -25.519 1.00 3.50 H new ATOM 0 HD21 ASN A 36 -9.100 21.505 -25.679 1.00 10.31 H new ATOM 0 HD22 ASN A 36 -9.076 22.633 -24.319 1.00 10.31 H new ATOM 625 N TYR A 37 -12.608 17.259 -25.259 1.00 11.33 N ATOM 626 CA TYR A 37 -13.291 16.656 -26.397 1.00 63.12 C ATOM 627 C TYR A 37 -14.565 17.423 -26.738 1.00 3.13 C ATOM 628 O TYR A 37 -14.845 17.696 -27.905 1.00 12.12 O ATOM 629 CB TYR A 37 -13.627 15.193 -26.101 1.00 4.54 C ATOM 630 CG TYR A 37 -14.429 14.523 -27.193 1.00 22.11 C ATOM 631 CD1 TYR A 37 -15.810 14.657 -27.250 1.00 35.25 C ATOM 632 CD2 TYR A 37 -13.804 13.756 -28.169 1.00 54.01 C ATOM 633 CE1 TYR A 37 -16.547 14.045 -28.245 1.00 52.22 C ATOM 634 CE2 TYR A 37 -14.533 13.142 -29.169 1.00 40.05 C ATOM 635 CZ TYR A 37 -15.904 13.289 -29.203 1.00 0.20 C ATOM 636 OH TYR A 37 -16.634 12.680 -30.197 1.00 72.53 O ATOM 0 H TYR A 37 -12.790 16.800 -24.367 1.00 11.33 H new ATOM 0 HA TYR A 37 -12.621 16.702 -27.255 1.00 63.12 H new ATOM 0 HB2 TYR A 37 -12.700 14.639 -25.951 1.00 4.54 H new ATOM 0 HB3 TYR A 37 -14.186 15.139 -25.167 1.00 4.54 H new ATOM 0 HD1 TYR A 37 -16.317 15.250 -26.503 1.00 35.25 H new ATOM 0 HD2 TYR A 37 -12.731 13.638 -28.145 1.00 54.01 H new ATOM 0 HE1 TYR A 37 -17.621 14.158 -28.273 1.00 52.22 H new ATOM 0 HE2 TYR A 37 -14.032 12.550 -29.920 1.00 40.05 H new ATOM 0 HH TYR A 37 -16.030 12.187 -30.791 1.00 72.53 H new ATOM 646 N SER A 38 -15.332 17.769 -25.709 1.00 74.41 N ATOM 647 CA SER A 38 -16.579 18.502 -25.898 1.00 23.23 C ATOM 648 C SER A 38 -16.351 20.004 -25.759 1.00 55.12 C ATOM 649 O SER A 38 -16.682 20.778 -26.657 1.00 41.42 O ATOM 650 CB SER A 38 -17.627 18.037 -24.884 1.00 44.43 C ATOM 651 OG SER A 38 -17.015 17.423 -23.763 1.00 41.14 O ATOM 0 H SER A 38 -15.112 17.554 -24.736 1.00 74.41 H new ATOM 0 HA SER A 38 -16.943 18.299 -26.905 1.00 23.23 H new ATOM 0 HB2 SER A 38 -18.223 18.889 -24.556 1.00 44.43 H new ATOM 0 HB3 SER A 38 -18.311 17.334 -25.360 1.00 44.43 H new ATOM 0 HG SER A 38 -17.706 17.136 -23.129 1.00 41.14 H new ATOM 657 N SER A 39 -15.785 20.409 -24.627 1.00 22.41 N ATOM 658 CA SER A 39 -15.516 21.818 -24.368 1.00 13.24 C ATOM 659 C SER A 39 -16.801 22.559 -24.008 1.00 22.30 C ATOM 660 O SER A 39 -16.859 23.277 -23.009 1.00 71.44 O ATOM 661 CB SER A 39 -14.864 22.468 -25.590 1.00 14.25 C ATOM 662 OG SER A 39 -14.031 21.548 -26.273 1.00 3.23 O ATOM 0 H SER A 39 -15.504 19.781 -23.874 1.00 22.41 H new ATOM 0 HA SER A 39 -14.831 21.882 -23.523 1.00 13.24 H new ATOM 0 HB2 SER A 39 -15.636 22.835 -26.266 1.00 14.25 H new ATOM 0 HB3 SER A 39 -14.277 23.332 -25.277 1.00 14.25 H new ATOM 0 HG SER A 39 -13.628 21.987 -27.051 1.00 3.23 H new ATOM 668 N LYS A 40 -17.829 22.379 -24.830 1.00 15.15 N ATOM 669 CA LYS A 40 -19.115 23.028 -24.600 1.00 60.20 C ATOM 670 C LYS A 40 -20.176 22.007 -24.203 1.00 33.15 C ATOM 671 O LYS A 40 -21.180 22.352 -23.579 1.00 32.10 O ATOM 672 CB LYS A 40 -19.561 23.780 -25.856 1.00 10.54 C ATOM 673 CG LYS A 40 -19.819 22.875 -27.048 1.00 10.42 C ATOM 674 CD LYS A 40 -21.234 22.322 -27.032 1.00 31.12 C ATOM 675 CE LYS A 40 -22.068 22.892 -28.169 1.00 72.50 C ATOM 676 NZ LYS A 40 -22.405 24.325 -27.946 1.00 64.01 N ATOM 0 H LYS A 40 -17.797 21.789 -25.662 1.00 15.15 H new ATOM 0 HA LYS A 40 -18.995 23.738 -23.782 1.00 60.20 H new ATOM 0 HB2 LYS A 40 -20.470 24.339 -25.631 1.00 10.54 H new ATOM 0 HB3 LYS A 40 -18.796 24.509 -26.123 1.00 10.54 H new ATOM 0 HG2 LYS A 40 -19.655 23.432 -27.971 1.00 10.42 H new ATOM 0 HG3 LYS A 40 -19.105 22.051 -27.042 1.00 10.42 H new ATOM 0 HD2 LYS A 40 -21.202 21.235 -27.112 1.00 31.12 H new ATOM 0 HD3 LYS A 40 -21.707 22.558 -26.079 1.00 31.12 H new ATOM 0 HE2 LYS A 40 -21.522 22.789 -29.107 1.00 72.50 H new ATOM 0 HE3 LYS A 40 -22.987 22.314 -28.270 1.00 72.50 H new ATOM 0 HZ1 LYS A 40 -22.974 24.676 -28.743 1.00 64.01 H new ATOM 0 HZ2 LYS A 40 -22.948 24.421 -27.064 1.00 64.01 H new ATOM 0 HZ3 LYS A 40 -21.529 24.881 -27.875 1.00 64.01 H new ATOM 690 N ASP A 41 -19.947 20.750 -24.566 1.00 21.12 N ATOM 691 CA ASP A 41 -20.882 19.678 -24.245 1.00 14.33 C ATOM 692 C ASP A 41 -20.543 19.046 -22.899 1.00 24.52 C ATOM 693 O ASP A 41 -21.032 17.967 -22.568 1.00 72.40 O ATOM 694 CB ASP A 41 -20.867 18.613 -25.342 1.00 24.33 C ATOM 695 CG ASP A 41 -22.242 18.030 -25.603 1.00 3.21 C ATOM 696 OD1 ASP A 41 -22.939 17.693 -24.623 1.00 74.13 O ATOM 697 OD2 ASP A 41 -22.621 17.912 -26.787 1.00 4.43 O ATOM 0 H ASP A 41 -19.121 20.448 -25.083 1.00 21.12 H new ATOM 0 HA ASP A 41 -21.882 20.108 -24.182 1.00 14.33 H new ATOM 0 HB2 ASP A 41 -20.480 19.050 -26.263 1.00 24.33 H new ATOM 0 HB3 ASP A 41 -20.184 17.812 -25.058 1.00 24.33 H new ATOM 702 N ASN A 42 -19.700 19.725 -22.127 1.00 62.53 N ATOM 703 CA ASN A 42 -19.293 19.228 -20.818 1.00 21.21 C ATOM 704 C ASN A 42 -20.497 18.723 -20.029 1.00 75.03 C ATOM 705 O ASN A 42 -21.636 19.106 -20.300 1.00 33.21 O ATOM 706 CB ASN A 42 -18.579 20.329 -20.031 1.00 31.20 C ATOM 707 CG ASN A 42 -17.799 21.269 -20.930 1.00 31.14 C ATOM 708 OD1 ASN A 42 -17.098 20.833 -21.843 1.00 53.23 O ATOM 709 ND2 ASN A 42 -17.917 22.566 -20.673 1.00 55.42 N ATOM 0 H ASN A 42 -19.286 20.621 -22.386 1.00 62.53 H new ATOM 0 HA ASN A 42 -18.606 18.396 -20.971 1.00 21.21 H new ATOM 0 HB2 ASN A 42 -19.313 20.900 -19.463 1.00 31.20 H new ATOM 0 HB3 ASN A 42 -17.900 19.874 -19.309 1.00 31.20 H new ATOM 0 HD21 ASN A 42 -17.415 23.247 -21.243 1.00 55.42 H new ATOM 0 HD22 ASN A 42 -18.510 22.882 -19.905 1.00 55.42 H new ATOM 716 N THR A 43 -20.238 17.861 -19.051 1.00 34.21 N ATOM 717 CA THR A 43 -21.300 17.303 -18.223 1.00 30.20 C ATOM 718 C THR A 43 -21.347 17.981 -16.859 1.00 31.25 C ATOM 719 O THR A 43 -20.328 18.451 -16.353 1.00 42.13 O ATOM 720 CB THR A 43 -21.119 15.786 -18.024 1.00 2.11 C ATOM 721 OG1 THR A 43 -19.798 15.395 -18.415 1.00 1.12 O ATOM 722 CG2 THR A 43 -22.144 15.008 -18.834 1.00 72.42 C ATOM 0 H THR A 43 -19.302 17.534 -18.813 1.00 34.21 H new ATOM 0 HA THR A 43 -22.238 17.484 -18.748 1.00 30.20 H new ATOM 0 HB THR A 43 -21.267 15.560 -16.968 1.00 2.11 H new ATOM 0 HG1 THR A 43 -19.836 14.928 -19.276 1.00 1.12 H new ATOM 0 HG21 THR A 43 -21.996 13.939 -18.677 1.00 72.42 H new ATOM 0 HG22 THR A 43 -23.148 15.286 -18.514 1.00 72.42 H new ATOM 0 HG23 THR A 43 -22.023 15.240 -19.892 1.00 72.42 H new ATOM 730 N TRP A 44 -22.535 18.027 -16.267 1.00 53.11 N ATOM 731 CA TRP A 44 -22.714 18.648 -14.959 1.00 72.24 C ATOM 732 C TRP A 44 -22.787 17.593 -13.861 1.00 61.54 C ATOM 733 O TRP A 44 -23.678 16.744 -13.862 1.00 54.43 O ATOM 734 CB TRP A 44 -23.982 19.503 -14.947 1.00 75.31 C ATOM 735 CG TRP A 44 -23.827 20.807 -15.670 1.00 20.45 C ATOM 736 CD1 TRP A 44 -24.104 21.054 -16.984 1.00 30.52 C ATOM 737 CD2 TRP A 44 -23.356 22.041 -15.118 1.00 0.11 C ATOM 738 NE1 TRP A 44 -23.834 22.367 -17.283 1.00 5.25 N ATOM 739 CE2 TRP A 44 -23.374 22.995 -16.155 1.00 33.53 C ATOM 740 CE3 TRP A 44 -22.923 22.434 -13.849 1.00 4.40 C ATOM 741 CZ2 TRP A 44 -22.975 24.314 -15.959 1.00 63.14 C ATOM 742 CZ3 TRP A 44 -22.526 23.744 -13.657 1.00 10.11 C ATOM 743 CH2 TRP A 44 -22.555 24.671 -14.707 1.00 1.40 C ATOM 0 H TRP A 44 -23.389 17.642 -16.671 1.00 53.11 H new ATOM 0 HA TRP A 44 -21.852 19.287 -14.766 1.00 72.24 H new ATOM 0 HB2 TRP A 44 -24.796 18.939 -15.401 1.00 75.31 H new ATOM 0 HB3 TRP A 44 -24.269 19.700 -13.914 1.00 75.31 H new ATOM 0 HD1 TRP A 44 -24.480 20.324 -17.685 1.00 30.52 H new ATOM 0 HE1 TRP A 44 -23.956 22.804 -18.197 1.00 5.25 H new ATOM 0 HE3 TRP A 44 -22.899 21.727 -13.033 1.00 4.40 H new ATOM 0 HZ2 TRP A 44 -22.996 25.030 -16.767 1.00 63.14 H new ATOM 0 HZ3 TRP A 44 -22.188 24.058 -12.681 1.00 10.11 H new ATOM 0 HH2 TRP A 44 -22.240 25.688 -14.524 1.00 1.40 H new ATOM 754 N GLU A 45 -21.844 17.651 -12.926 1.00 42.43 N ATOM 755 CA GLU A 45 -21.802 16.699 -11.823 1.00 34.01 C ATOM 756 C GLU A 45 -21.814 17.422 -10.479 1.00 44.22 C ATOM 757 O GLU A 45 -20.966 18.275 -10.212 1.00 70.23 O ATOM 758 CB GLU A 45 -20.557 15.816 -11.929 1.00 35.32 C ATOM 759 CG GLU A 45 -20.647 14.766 -13.024 1.00 10.31 C ATOM 760 CD GLU A 45 -20.931 13.379 -12.481 1.00 3.21 C ATOM 761 OE1 GLU A 45 -20.022 12.786 -11.863 1.00 13.12 O ATOM 762 OE2 GLU A 45 -22.062 12.887 -12.674 1.00 53.13 O ATOM 0 H GLU A 45 -21.099 18.347 -12.911 1.00 42.43 H new ATOM 0 HA GLU A 45 -22.690 16.071 -11.885 1.00 34.01 H new ATOM 0 HB2 GLU A 45 -19.688 16.448 -12.114 1.00 35.32 H new ATOM 0 HB3 GLU A 45 -20.392 15.319 -10.973 1.00 35.32 H new ATOM 0 HG2 GLU A 45 -21.433 15.045 -13.726 1.00 10.31 H new ATOM 0 HG3 GLU A 45 -19.712 14.749 -13.583 1.00 10.31 H new ATOM 769 N THR A 46 -22.781 17.076 -9.636 1.00 11.15 N ATOM 770 CA THR A 46 -22.905 17.692 -8.321 1.00 10.24 C ATOM 771 C THR A 46 -21.543 17.844 -7.654 1.00 4.01 C ATOM 772 O THR A 46 -20.622 17.072 -7.921 1.00 10.51 O ATOM 773 CB THR A 46 -23.826 16.870 -7.399 1.00 61.14 C ATOM 774 OG1 THR A 46 -23.923 15.524 -7.879 1.00 12.11 O ATOM 775 CG2 THR A 46 -25.213 17.490 -7.328 1.00 72.21 C ATOM 0 H THR A 46 -23.490 16.372 -9.840 1.00 11.15 H new ATOM 0 HA THR A 46 -23.344 18.678 -8.475 1.00 10.24 H new ATOM 0 HB THR A 46 -23.395 16.868 -6.398 1.00 61.14 H new ATOM 0 HG1 THR A 46 -24.509 15.007 -7.287 1.00 12.11 H new ATOM 0 HG21 THR A 46 -25.845 16.892 -6.671 1.00 72.21 H new ATOM 0 HG22 THR A 46 -25.139 18.504 -6.936 1.00 72.21 H new ATOM 0 HG23 THR A 46 -25.650 17.518 -8.326 1.00 72.21 H new ATOM 783 N GLU A 47 -21.422 18.843 -6.785 1.00 70.10 N ATOM 784 CA GLU A 47 -20.170 19.095 -6.080 1.00 74.35 C ATOM 785 C GLU A 47 -19.780 17.896 -5.220 1.00 0.51 C ATOM 786 O GLU A 47 -18.620 17.748 -4.834 1.00 35.43 O ATOM 787 CB GLU A 47 -20.294 20.345 -5.207 1.00 45.12 C ATOM 788 CG GLU A 47 -19.228 20.441 -4.128 1.00 13.10 C ATOM 789 CD GLU A 47 -19.326 21.724 -3.325 1.00 25.42 C ATOM 790 OE1 GLU A 47 -20.433 22.296 -3.252 1.00 2.14 O ATOM 791 OE2 GLU A 47 -18.293 22.154 -2.769 1.00 14.40 O ATOM 0 H GLU A 47 -22.175 19.491 -6.552 1.00 70.10 H new ATOM 0 HA GLU A 47 -19.389 19.256 -6.823 1.00 74.35 H new ATOM 0 HB2 GLU A 47 -20.237 21.229 -5.842 1.00 45.12 H new ATOM 0 HB3 GLU A 47 -21.277 20.354 -4.737 1.00 45.12 H new ATOM 0 HG2 GLU A 47 -19.319 19.588 -3.456 1.00 13.10 H new ATOM 0 HG3 GLU A 47 -18.242 20.380 -4.589 1.00 13.10 H new ATOM 798 N ASP A 48 -20.756 17.046 -4.923 1.00 71.33 N ATOM 799 CA ASP A 48 -20.516 15.860 -4.109 1.00 2.00 C ATOM 800 C ASP A 48 -20.301 14.632 -4.988 1.00 23.23 C ATOM 801 O ASP A 48 -20.057 13.533 -4.488 1.00 2.53 O ATOM 802 CB ASP A 48 -21.689 15.622 -3.157 1.00 52.42 C ATOM 803 CG ASP A 48 -21.357 15.992 -1.725 1.00 21.11 C ATOM 804 OD1 ASP A 48 -20.966 17.154 -1.488 1.00 33.22 O ATOM 805 OD2 ASP A 48 -21.487 15.119 -0.841 1.00 63.32 O ATOM 0 H ASP A 48 -21.721 17.156 -5.234 1.00 71.33 H new ATOM 0 HA ASP A 48 -19.612 16.029 -3.524 1.00 2.00 H new ATOM 0 HB2 ASP A 48 -22.547 16.205 -3.490 1.00 52.42 H new ATOM 0 HB3 ASP A 48 -21.981 14.573 -3.200 1.00 52.42 H new ATOM 810 N ASP A 49 -20.394 14.825 -6.299 1.00 3.13 N ATOM 811 CA ASP A 49 -20.209 13.733 -7.248 1.00 14.24 C ATOM 812 C ASP A 49 -19.090 14.053 -8.233 1.00 64.20 C ATOM 813 O ASP A 49 -18.701 13.209 -9.041 1.00 23.43 O ATOM 814 CB ASP A 49 -21.510 13.462 -8.005 1.00 52.30 C ATOM 815 CG ASP A 49 -21.689 11.995 -8.343 1.00 2.13 C ATOM 816 OD1 ASP A 49 -20.733 11.219 -8.137 1.00 21.24 O ATOM 817 OD2 ASP A 49 -22.784 11.623 -8.814 1.00 12.41 O ATOM 0 H ASP A 49 -20.596 15.728 -6.729 1.00 3.13 H new ATOM 0 HA ASP A 49 -19.931 12.840 -6.688 1.00 14.24 H new ATOM 0 HB2 ASP A 49 -22.354 13.799 -7.403 1.00 52.30 H new ATOM 0 HB3 ASP A 49 -21.521 14.047 -8.924 1.00 52.30 H new ATOM 822 N ILE A 50 -18.577 15.276 -8.161 1.00 43.42 N ATOM 823 CA ILE A 50 -17.502 15.707 -9.047 1.00 30.11 C ATOM 824 C ILE A 50 -16.144 15.583 -8.364 1.00 71.12 C ATOM 825 O ILE A 50 -15.140 15.276 -9.007 1.00 53.35 O ATOM 826 CB ILE A 50 -17.701 17.163 -9.508 1.00 34.13 C ATOM 827 CG1 ILE A 50 -16.647 17.540 -10.550 1.00 64.20 C ATOM 828 CG2 ILE A 50 -17.639 18.108 -8.317 1.00 52.33 C ATOM 829 CD1 ILE A 50 -17.196 17.641 -11.956 1.00 3.32 C ATOM 0 H ILE A 50 -18.888 15.986 -7.498 1.00 43.42 H new ATOM 0 HA ILE A 50 -17.530 15.052 -9.918 1.00 30.11 H new ATOM 0 HB ILE A 50 -18.686 17.252 -9.967 1.00 34.13 H new ATOM 0 HG12 ILE A 50 -16.200 18.495 -10.274 1.00 64.20 H new ATOM 0 HG13 ILE A 50 -15.849 16.798 -10.533 1.00 64.20 H new ATOM 0 HG21 ILE A 50 -17.781 19.133 -8.658 1.00 52.33 H new ATOM 0 HG22 ILE A 50 -18.424 17.850 -7.606 1.00 52.33 H new ATOM 0 HG23 ILE A 50 -16.667 18.019 -7.832 1.00 52.33 H new ATOM 0 HD11 ILE A 50 -16.393 17.912 -12.642 1.00 3.32 H new ATOM 0 HD12 ILE A 50 -17.617 16.680 -12.252 1.00 3.32 H new ATOM 0 HD13 ILE A 50 -17.974 18.404 -11.989 1.00 3.32 H new ATOM 841 N ARG A 51 -16.121 15.822 -7.057 1.00 32.40 N ATOM 842 CA ARG A 51 -14.887 15.736 -6.286 1.00 43.13 C ATOM 843 C ARG A 51 -14.554 14.285 -5.952 1.00 63.12 C ATOM 844 O ARG A 51 -13.420 13.962 -5.595 1.00 11.40 O ATOM 845 CB ARG A 51 -15.007 16.552 -4.998 1.00 40.51 C ATOM 846 CG ARG A 51 -15.360 15.717 -3.778 1.00 43.13 C ATOM 847 CD ARG A 51 -16.802 15.239 -3.829 1.00 33.31 C ATOM 848 NE ARG A 51 -17.429 15.249 -2.510 1.00 22.33 N ATOM 849 CZ ARG A 51 -17.695 16.359 -1.831 1.00 3.12 C ATOM 850 NH1 ARG A 51 -17.390 17.543 -2.344 1.00 75.04 N ATOM 851 NH2 ARG A 51 -18.267 16.287 -0.636 1.00 24.54 N ATOM 0 H ARG A 51 -16.943 16.077 -6.510 1.00 32.40 H new ATOM 0 HA ARG A 51 -14.080 16.145 -6.894 1.00 43.13 H new ATOM 0 HB2 ARG A 51 -14.064 17.067 -4.815 1.00 40.51 H new ATOM 0 HB3 ARG A 51 -15.768 17.320 -5.134 1.00 40.51 H new ATOM 0 HG2 ARG A 51 -14.692 14.857 -3.718 1.00 43.13 H new ATOM 0 HG3 ARG A 51 -15.202 16.306 -2.875 1.00 43.13 H new ATOM 0 HD2 ARG A 51 -17.371 15.876 -4.506 1.00 33.31 H new ATOM 0 HD3 ARG A 51 -16.835 14.229 -4.238 1.00 33.31 H new ATOM 0 HE ARG A 51 -17.676 14.354 -2.087 1.00 22.33 H new ATOM 0 HH11 ARG A 51 -16.950 17.603 -3.262 1.00 75.04 H new ATOM 0 HH12 ARG A 51 -17.595 18.394 -1.820 1.00 75.04 H new ATOM 0 HH21 ARG A 51 -18.503 15.378 -0.238 1.00 24.54 H new ATOM 0 HH22 ARG A 51 -18.471 17.140 -0.116 1.00 24.54 H new ATOM 865 N THR A 52 -15.550 13.412 -6.070 1.00 43.22 N ATOM 866 CA THR A 52 -15.364 11.996 -5.779 1.00 42.35 C ATOM 867 C THR A 52 -14.886 11.240 -7.014 1.00 34.43 C ATOM 868 O THR A 52 -14.157 10.253 -6.907 1.00 14.22 O ATOM 869 CB THR A 52 -16.666 11.352 -5.268 1.00 51.01 C ATOM 870 OG1 THR A 52 -16.432 9.983 -4.920 1.00 63.12 O ATOM 871 CG2 THR A 52 -17.760 11.432 -6.322 1.00 41.54 C ATOM 0 H THR A 52 -16.494 13.661 -6.365 1.00 43.22 H new ATOM 0 HA THR A 52 -14.605 11.930 -4.999 1.00 42.35 H new ATOM 0 HB THR A 52 -16.993 11.900 -4.385 1.00 51.01 H new ATOM 0 HG1 THR A 52 -17.265 9.581 -4.595 1.00 63.12 H new ATOM 0 HG21 THR A 52 -18.670 10.971 -5.938 1.00 41.54 H new ATOM 0 HG22 THR A 52 -17.957 12.477 -6.563 1.00 41.54 H new ATOM 0 HG23 THR A 52 -17.438 10.906 -7.221 1.00 41.54 H new ATOM 879 N LYS A 53 -15.301 11.708 -8.186 1.00 71.30 N ATOM 880 CA LYS A 53 -14.915 11.077 -9.442 1.00 65.24 C ATOM 881 C LYS A 53 -13.814 11.874 -10.136 1.00 13.04 C ATOM 882 O LYS A 53 -12.947 11.306 -10.800 1.00 74.21 O ATOM 883 CB LYS A 53 -16.127 10.950 -10.367 1.00 71.24 C ATOM 884 CG LYS A 53 -17.371 10.427 -9.671 1.00 14.13 C ATOM 885 CD LYS A 53 -17.106 9.103 -8.975 1.00 31.34 C ATOM 886 CE LYS A 53 -18.386 8.501 -8.415 1.00 20.01 C ATOM 887 NZ LYS A 53 -18.879 7.371 -9.250 1.00 71.11 N ATOM 0 H LYS A 53 -15.905 12.523 -8.292 1.00 71.30 H new ATOM 0 HA LYS A 53 -14.532 10.082 -9.216 1.00 65.24 H new ATOM 0 HB2 LYS A 53 -16.346 11.926 -10.800 1.00 71.24 H new ATOM 0 HB3 LYS A 53 -15.875 10.284 -11.192 1.00 71.24 H new ATOM 0 HG2 LYS A 53 -17.716 11.160 -8.942 1.00 14.13 H new ATOM 0 HG3 LYS A 53 -18.171 10.302 -10.400 1.00 14.13 H new ATOM 0 HD2 LYS A 53 -16.652 8.405 -9.679 1.00 31.34 H new ATOM 0 HD3 LYS A 53 -16.389 9.252 -8.167 1.00 31.34 H new ATOM 0 HE2 LYS A 53 -18.208 8.151 -7.398 1.00 20.01 H new ATOM 0 HE3 LYS A 53 -19.155 9.272 -8.357 1.00 20.01 H new ATOM 0 HZ1 LYS A 53 -19.752 6.988 -8.835 1.00 71.11 H new ATOM 0 HZ2 LYS A 53 -19.073 7.710 -10.214 1.00 71.11 H new ATOM 0 HZ3 LYS A 53 -18.156 6.624 -9.285 1.00 71.11 H new ATOM 901 N TYR A 54 -13.855 13.192 -9.975 1.00 63.03 N ATOM 902 CA TYR A 54 -12.861 14.067 -10.587 1.00 15.13 C ATOM 903 C TYR A 54 -12.196 14.953 -9.538 1.00 32.23 C ATOM 904 O TYR A 54 -11.793 16.079 -9.825 1.00 21.02 O ATOM 905 CB TYR A 54 -13.511 14.935 -11.666 1.00 11.24 C ATOM 906 CG TYR A 54 -14.517 14.193 -12.516 1.00 20.30 C ATOM 907 CD1 TYR A 54 -14.112 13.195 -13.394 1.00 52.11 C ATOM 908 CD2 TYR A 54 -15.873 14.488 -12.440 1.00 44.33 C ATOM 909 CE1 TYR A 54 -15.028 12.515 -14.173 1.00 63.14 C ATOM 910 CE2 TYR A 54 -16.795 13.812 -13.215 1.00 14.13 C ATOM 911 CZ TYR A 54 -16.368 12.827 -14.080 1.00 70.30 C ATOM 912 OH TYR A 54 -17.283 12.150 -14.854 1.00 13.44 O ATOM 0 H TYR A 54 -14.565 13.678 -9.427 1.00 63.03 H new ATOM 0 HA TYR A 54 -12.096 13.441 -11.046 1.00 15.13 H new ATOM 0 HB2 TYR A 54 -14.005 15.782 -11.190 1.00 11.24 H new ATOM 0 HB3 TYR A 54 -12.732 15.341 -12.311 1.00 11.24 H new ATOM 0 HD1 TYR A 54 -13.064 12.947 -13.469 1.00 52.11 H new ATOM 0 HD2 TYR A 54 -16.212 15.259 -11.764 1.00 44.33 H new ATOM 0 HE1 TYR A 54 -14.696 11.743 -14.851 1.00 63.14 H new ATOM 0 HE2 TYR A 54 -17.845 14.054 -13.144 1.00 14.13 H new ATOM 0 HH TYR A 54 -18.183 12.489 -14.668 1.00 13.44 H new ATOM 922 N GLY A 55 -12.085 14.434 -8.319 1.00 22.44 N ATOM 923 CA GLY A 55 -11.468 15.189 -7.244 1.00 43.01 C ATOM 924 C GLY A 55 -10.098 15.718 -7.620 1.00 23.23 C ATOM 925 O GLY A 55 -9.605 16.670 -7.015 1.00 13.40 O ATOM 0 H GLY A 55 -12.411 13.504 -8.057 1.00 22.44 H new ATOM 0 HA2 GLY A 55 -12.114 16.024 -6.973 1.00 43.01 H new ATOM 0 HA3 GLY A 55 -11.380 14.554 -6.362 1.00 43.01 H new ATOM 929 N ASP A 56 -9.480 15.098 -8.619 1.00 42.01 N ATOM 930 CA ASP A 56 -8.157 15.512 -9.074 1.00 75.53 C ATOM 931 C ASP A 56 -8.184 16.947 -9.589 1.00 13.41 C ATOM 932 O ASP A 56 -7.402 17.791 -9.149 1.00 23.31 O ATOM 933 CB ASP A 56 -7.656 14.572 -10.172 1.00 41.44 C ATOM 934 CG ASP A 56 -6.201 14.189 -9.987 1.00 1.35 C ATOM 935 OD1 ASP A 56 -5.478 14.928 -9.285 1.00 73.33 O ATOM 936 OD2 ASP A 56 -5.784 13.152 -10.543 1.00 74.50 O ATOM 0 H ASP A 56 -9.873 14.307 -9.129 1.00 42.01 H new ATOM 0 HA ASP A 56 -7.475 15.463 -8.225 1.00 75.53 H new ATOM 0 HB2 ASP A 56 -8.268 13.670 -10.181 1.00 41.44 H new ATOM 0 HB3 ASP A 56 -7.782 15.052 -11.142 1.00 41.44 H new ATOM 941 N LEU A 57 -9.089 17.219 -10.524 1.00 25.55 N ATOM 942 CA LEU A 57 -9.217 18.553 -11.100 1.00 31.44 C ATOM 943 C LEU A 57 -10.069 19.451 -10.209 1.00 34.44 C ATOM 944 O LEU A 57 -9.868 20.664 -10.158 1.00 53.15 O ATOM 945 CB LEU A 57 -9.833 18.469 -12.497 1.00 72.12 C ATOM 946 CG LEU A 57 -10.798 17.307 -12.737 1.00 14.43 C ATOM 947 CD1 LEU A 57 -11.909 17.724 -13.688 1.00 15.21 C ATOM 948 CD2 LEU A 57 -10.053 16.098 -13.282 1.00 2.11 C ATOM 0 H LEU A 57 -9.745 16.533 -10.899 1.00 25.55 H new ATOM 0 HA LEU A 57 -8.220 18.987 -11.175 1.00 31.44 H new ATOM 0 HB2 LEU A 57 -10.362 19.401 -12.696 1.00 72.12 H new ATOM 0 HB3 LEU A 57 -9.025 18.400 -13.225 1.00 72.12 H new ATOM 0 HG LEU A 57 -11.248 17.031 -11.783 1.00 14.43 H new ATOM 0 HD11 LEU A 57 -12.586 16.885 -13.847 1.00 15.21 H new ATOM 0 HD12 LEU A 57 -12.462 18.559 -13.258 1.00 15.21 H new ATOM 0 HD13 LEU A 57 -11.477 18.027 -14.642 1.00 15.21 H new ATOM 0 HD21 LEU A 57 -10.756 15.281 -13.447 1.00 2.11 H new ATOM 0 HD22 LEU A 57 -9.574 16.360 -14.225 1.00 2.11 H new ATOM 0 HD23 LEU A 57 -9.294 15.785 -12.565 1.00 2.11 H new ATOM 960 N VAL A 58 -11.021 18.846 -9.505 1.00 30.43 N ATOM 961 CA VAL A 58 -11.902 19.590 -8.613 1.00 31.34 C ATOM 962 C VAL A 58 -11.101 20.423 -7.618 1.00 71.32 C ATOM 963 O VAL A 58 -11.434 21.577 -7.350 1.00 0.22 O ATOM 964 CB VAL A 58 -12.841 18.647 -7.837 1.00 12.12 C ATOM 965 CG1 VAL A 58 -13.654 19.426 -6.814 1.00 51.20 C ATOM 966 CG2 VAL A 58 -13.753 17.897 -8.796 1.00 34.05 C ATOM 0 H VAL A 58 -11.202 17.843 -9.535 1.00 30.43 H new ATOM 0 HA VAL A 58 -12.500 20.253 -9.239 1.00 31.34 H new ATOM 0 HB VAL A 58 -12.234 17.916 -7.302 1.00 12.12 H new ATOM 0 HG11 VAL A 58 -14.311 18.743 -6.276 1.00 51.20 H new ATOM 0 HG12 VAL A 58 -12.981 19.913 -6.109 1.00 51.20 H new ATOM 0 HG13 VAL A 58 -14.253 20.180 -7.324 1.00 51.20 H new ATOM 0 HG21 VAL A 58 -14.410 17.235 -8.231 1.00 34.05 H new ATOM 0 HG22 VAL A 58 -14.354 18.611 -9.359 1.00 34.05 H new ATOM 0 HG23 VAL A 58 -13.149 17.307 -9.486 1.00 34.05 H new ATOM 976 N ASP A 59 -10.044 19.830 -7.075 1.00 64.10 N ATOM 977 CA ASP A 59 -9.193 20.518 -6.111 1.00 21.33 C ATOM 978 C ASP A 59 -8.215 21.451 -6.817 1.00 40.15 C ATOM 979 O ASP A 59 -7.376 22.086 -6.179 1.00 0.54 O ATOM 980 CB ASP A 59 -8.426 19.504 -5.261 1.00 23.41 C ATOM 981 CG ASP A 59 -9.303 18.842 -4.216 1.00 70.15 C ATOM 982 OD1 ASP A 59 -9.965 17.837 -4.549 1.00 21.33 O ATOM 983 OD2 ASP A 59 -9.329 19.330 -3.067 1.00 25.11 O ATOM 0 H ASP A 59 -9.756 18.875 -7.286 1.00 64.10 H new ATOM 0 HA ASP A 59 -9.832 21.116 -5.461 1.00 21.33 H new ATOM 0 HB2 ASP A 59 -7.999 18.739 -5.910 1.00 23.41 H new ATOM 0 HB3 ASP A 59 -7.593 20.004 -4.768 1.00 23.41 H new ATOM 988 N ASP A 60 -8.328 21.528 -8.139 1.00 34.12 N ATOM 989 CA ASP A 60 -7.454 22.384 -8.933 1.00 33.42 C ATOM 990 C ASP A 60 -8.224 23.575 -9.494 1.00 71.14 C ATOM 991 O ASP A 60 -7.631 24.573 -9.905 1.00 31.13 O ATOM 992 CB ASP A 60 -6.823 21.585 -10.074 1.00 63.20 C ATOM 993 CG ASP A 60 -5.554 22.228 -10.598 1.00 41.20 C ATOM 994 OD1 ASP A 60 -4.606 22.403 -9.804 1.00 14.31 O ATOM 995 OD2 ASP A 60 -5.509 22.557 -11.802 1.00 43.31 O ATOM 0 H ASP A 60 -9.016 21.008 -8.683 1.00 34.12 H new ATOM 0 HA ASP A 60 -6.664 22.759 -8.282 1.00 33.42 H new ATOM 0 HB2 ASP A 60 -6.599 20.576 -9.727 1.00 63.20 H new ATOM 0 HB3 ASP A 60 -7.542 21.490 -10.888 1.00 63.20 H new ATOM 1000 N PHE A 61 -9.548 23.463 -9.511 1.00 31.15 N ATOM 1001 CA PHE A 61 -10.399 24.530 -10.024 1.00 34.12 C ATOM 1002 C PHE A 61 -11.027 25.322 -8.881 1.00 10.32 C ATOM 1003 O PHE A 61 -10.747 26.508 -8.707 1.00 63.30 O ATOM 1004 CB PHE A 61 -11.496 23.950 -10.920 1.00 1.03 C ATOM 1005 CG PHE A 61 -12.524 24.961 -11.340 1.00 1.31 C ATOM 1006 CD1 PHE A 61 -12.290 25.799 -12.419 1.00 35.14 C ATOM 1007 CD2 PHE A 61 -13.723 25.075 -10.656 1.00 34.43 C ATOM 1008 CE1 PHE A 61 -13.234 26.730 -12.808 1.00 55.42 C ATOM 1009 CE2 PHE A 61 -14.671 26.004 -11.041 1.00 33.21 C ATOM 1010 CZ PHE A 61 -14.426 26.834 -12.118 1.00 30.54 C ATOM 0 H PHE A 61 -10.055 22.644 -9.175 1.00 31.15 H new ATOM 0 HA PHE A 61 -9.778 25.205 -10.612 1.00 34.12 H new ATOM 0 HB2 PHE A 61 -11.037 23.519 -11.810 1.00 1.03 H new ATOM 0 HB3 PHE A 61 -11.993 23.136 -10.392 1.00 1.03 H new ATOM 0 HD1 PHE A 61 -11.359 25.723 -12.962 1.00 35.14 H new ATOM 0 HD2 PHE A 61 -13.919 24.430 -9.812 1.00 34.43 H new ATOM 0 HE1 PHE A 61 -13.040 27.376 -13.651 1.00 55.42 H new ATOM 0 HE2 PHE A 61 -15.603 26.081 -10.500 1.00 33.21 H new ATOM 0 HZ PHE A 61 -15.164 27.562 -12.420 1.00 30.54 H new ATOM 1020 N GLU A 62 -11.878 24.658 -8.105 1.00 60.21 N ATOM 1021 CA GLU A 62 -12.546 25.300 -6.980 1.00 15.42 C ATOM 1022 C GLU A 62 -11.529 25.887 -6.006 1.00 11.44 C ATOM 1023 O GLU A 62 -11.759 26.939 -5.407 1.00 75.54 O ATOM 1024 CB GLU A 62 -13.446 24.299 -6.253 1.00 31.23 C ATOM 1025 CG GLU A 62 -12.691 23.371 -5.316 1.00 12.13 C ATOM 1026 CD GLU A 62 -13.413 22.057 -5.089 1.00 15.34 C ATOM 1027 OE1 GLU A 62 -14.559 21.920 -5.567 1.00 11.41 O ATOM 1028 OE2 GLU A 62 -12.834 21.167 -4.433 1.00 20.41 O ATOM 0 H GLU A 62 -12.121 23.676 -8.235 1.00 60.21 H new ATOM 0 HA GLU A 62 -13.160 26.112 -7.371 1.00 15.42 H new ATOM 0 HB2 GLU A 62 -14.197 24.846 -5.682 1.00 31.23 H new ATOM 0 HB3 GLU A 62 -13.980 23.701 -6.991 1.00 31.23 H new ATOM 0 HG2 GLU A 62 -11.702 23.171 -5.728 1.00 12.13 H new ATOM 0 HG3 GLU A 62 -12.543 23.870 -4.358 1.00 12.13 H new ATOM 1035 N LYS A 63 -10.402 25.200 -5.851 1.00 15.23 N ATOM 1036 CA LYS A 63 -9.348 25.651 -4.950 1.00 50.55 C ATOM 1037 C LYS A 63 -8.656 26.894 -5.503 1.00 22.53 C ATOM 1038 O LYS A 63 -7.877 27.542 -4.806 1.00 42.51 O ATOM 1039 CB LYS A 63 -8.322 24.537 -4.734 1.00 71.30 C ATOM 1040 CG LYS A 63 -8.895 23.307 -4.051 1.00 11.13 C ATOM 1041 CD LYS A 63 -9.414 23.633 -2.660 1.00 63.21 C ATOM 1042 CE LYS A 63 -8.305 24.156 -1.760 1.00 63.00 C ATOM 1043 NZ LYS A 63 -8.355 25.638 -1.622 1.00 32.10 N ATOM 0 H LYS A 63 -10.195 24.328 -6.338 1.00 15.23 H new ATOM 0 HA LYS A 63 -9.805 25.905 -3.994 1.00 50.55 H new ATOM 0 HB2 LYS A 63 -7.906 24.246 -5.698 1.00 71.30 H new ATOM 0 HB3 LYS A 63 -7.498 24.924 -4.135 1.00 71.30 H new ATOM 0 HG2 LYS A 63 -9.704 22.898 -4.656 1.00 11.13 H new ATOM 0 HG3 LYS A 63 -8.127 22.537 -3.983 1.00 11.13 H new ATOM 0 HD2 LYS A 63 -10.207 24.377 -2.732 1.00 63.21 H new ATOM 0 HD3 LYS A 63 -9.854 22.740 -2.216 1.00 63.21 H new ATOM 0 HE2 LYS A 63 -8.390 23.697 -0.775 1.00 63.00 H new ATOM 0 HE3 LYS A 63 -7.338 23.862 -2.167 1.00 63.00 H new ATOM 0 HZ1 LYS A 63 -8.014 25.910 -0.678 1.00 32.10 H new ATOM 0 HZ2 LYS A 63 -7.751 26.075 -2.348 1.00 32.10 H new ATOM 0 HZ3 LYS A 63 -9.335 25.965 -1.744 1.00 32.10 H new ATOM 1057 N ASN A 64 -8.947 27.219 -6.758 1.00 60.10 N ATOM 1058 CA ASN A 64 -8.353 28.384 -7.403 1.00 2.20 C ATOM 1059 C ASN A 64 -9.321 29.564 -7.394 1.00 25.44 C ATOM 1060 O ASN A 64 -8.925 30.701 -7.140 1.00 61.01 O ATOM 1061 CB ASN A 64 -7.954 28.049 -8.841 1.00 62.25 C ATOM 1062 CG ASN A 64 -6.674 27.238 -8.913 1.00 12.15 C ATOM 1063 OD1 ASN A 64 -6.561 26.235 -8.050 1.00 51.03 O flip ATOM 1064 ND2 ASN A 64 -5.798 27.511 -9.733 1.00 71.32 N flip ATOM 0 H ASN A 64 -9.590 26.692 -7.349 1.00 60.10 H new ATOM 0 HA ASN A 64 -7.462 28.664 -6.841 1.00 2.20 H new ATOM 0 HB2 ASN A 64 -8.761 27.493 -9.319 1.00 62.25 H new ATOM 0 HB3 ASN A 64 -7.827 28.973 -9.405 1.00 62.25 H new ATOM 0 HD21 ASN A 64 -5.928 28.291 -10.377 1.00 71.32 H new ATOM 0 HD22 ASN A 64 -4.942 26.957 -9.768 1.00 71.32 H new ATOM 1071 N GLN A 65 -10.590 29.283 -7.671 1.00 63.20 N ATOM 1072 CA GLN A 65 -11.614 30.321 -7.694 1.00 64.35 C ATOM 1073 C GLN A 65 -12.161 30.577 -6.294 1.00 44.52 C ATOM 1074 O GLN A 65 -12.961 31.490 -6.086 1.00 61.30 O ATOM 1075 CB GLN A 65 -12.753 29.922 -8.635 1.00 25.15 C ATOM 1076 CG GLN A 65 -13.631 28.808 -8.088 1.00 64.20 C ATOM 1077 CD GLN A 65 -14.784 29.330 -7.254 1.00 72.34 C ATOM 1078 OE1 GLN A 65 -15.310 30.414 -7.510 1.00 64.41 O ATOM 1079 NE2 GLN A 65 -15.185 28.559 -6.250 1.00 53.20 N ATOM 0 H GLN A 65 -10.934 28.346 -7.882 1.00 63.20 H new ATOM 0 HA GLN A 65 -11.156 31.240 -8.059 1.00 64.35 H new ATOM 0 HB2 GLN A 65 -13.372 30.797 -8.834 1.00 25.15 H new ATOM 0 HB3 GLN A 65 -12.331 29.606 -9.589 1.00 25.15 H new ATOM 0 HG2 GLN A 65 -14.024 28.220 -8.917 1.00 64.20 H new ATOM 0 HG3 GLN A 65 -13.024 28.136 -7.481 1.00 64.20 H new ATOM 0 HE21 GLN A 65 -14.720 27.668 -6.074 1.00 53.20 H new ATOM 0 HE22 GLN A 65 -15.958 28.858 -5.655 1.00 53.20 H new ATOM 1088 N LYS A 66 -11.724 29.767 -5.336 1.00 72.11 N ATOM 1089 CA LYS A 66 -12.169 29.906 -3.954 1.00 64.23 C ATOM 1090 C LYS A 66 -11.882 31.309 -3.429 1.00 74.02 C ATOM 1091 O LYS A 66 -12.575 31.804 -2.540 1.00 31.44 O ATOM 1092 CB LYS A 66 -11.478 28.867 -3.068 1.00 4.21 C ATOM 1093 CG LYS A 66 -9.963 28.877 -3.187 1.00 74.42 C ATOM 1094 CD LYS A 66 -9.340 29.938 -2.296 1.00 53.02 C ATOM 1095 CE LYS A 66 -8.153 29.388 -1.521 1.00 31.04 C ATOM 1096 NZ LYS A 66 -7.468 30.448 -0.730 1.00 64.25 N ATOM 0 H LYS A 66 -11.062 29.007 -5.491 1.00 72.11 H new ATOM 0 HA LYS A 66 -13.246 29.740 -3.926 1.00 64.23 H new ATOM 0 HB2 LYS A 66 -11.754 29.047 -2.029 1.00 4.21 H new ATOM 0 HB3 LYS A 66 -11.848 27.875 -3.329 1.00 4.21 H new ATOM 0 HG2 LYS A 66 -9.570 27.897 -2.917 1.00 74.42 H new ATOM 0 HG3 LYS A 66 -9.680 29.059 -4.224 1.00 74.42 H new ATOM 0 HD2 LYS A 66 -9.018 30.783 -2.905 1.00 53.02 H new ATOM 0 HD3 LYS A 66 -10.088 30.314 -1.599 1.00 53.02 H new ATOM 0 HE2 LYS A 66 -8.491 28.597 -0.852 1.00 31.04 H new ATOM 0 HE3 LYS A 66 -7.444 28.937 -2.215 1.00 31.04 H new ATOM 0 HZ1 LYS A 66 -6.665 30.033 -0.216 1.00 64.25 H new ATOM 0 HZ2 LYS A 66 -7.123 31.191 -1.371 1.00 64.25 H new ATOM 0 HZ3 LYS A 66 -8.138 30.861 -0.050 1.00 64.25 H new ATOM 1110 N LYS A 67 -10.858 31.947 -3.986 1.00 74.21 N ATOM 1111 CA LYS A 67 -10.482 33.294 -3.577 1.00 3.54 C ATOM 1112 C LYS A 67 -11.160 34.340 -4.456 1.00 63.03 C ATOM 1113 O LYS A 67 -11.743 34.012 -5.490 1.00 32.23 O ATOM 1114 CB LYS A 67 -8.962 33.464 -3.644 1.00 12.04 C ATOM 1115 CG LYS A 67 -8.487 34.853 -3.253 1.00 74.11 C ATOM 1116 CD LYS A 67 -7.008 34.860 -2.907 1.00 62.32 C ATOM 1117 CE LYS A 67 -6.765 35.406 -1.509 1.00 3.03 C ATOM 1118 NZ LYS A 67 -5.328 35.331 -1.126 1.00 24.22 N ATOM 0 H LYS A 67 -10.274 31.552 -4.723 1.00 74.21 H new ATOM 0 HA LYS A 67 -10.813 33.440 -2.549 1.00 3.54 H new ATOM 0 HB2 LYS A 67 -8.494 32.731 -2.987 1.00 12.04 H new ATOM 0 HB3 LYS A 67 -8.625 33.246 -4.657 1.00 12.04 H new ATOM 0 HG2 LYS A 67 -8.673 35.546 -4.073 1.00 74.11 H new ATOM 0 HG3 LYS A 67 -9.063 35.208 -2.399 1.00 74.11 H new ATOM 0 HD2 LYS A 67 -6.612 33.847 -2.977 1.00 62.32 H new ATOM 0 HD3 LYS A 67 -6.466 35.465 -3.634 1.00 62.32 H new ATOM 0 HE2 LYS A 67 -7.100 36.442 -1.461 1.00 3.03 H new ATOM 0 HE3 LYS A 67 -7.362 34.844 -0.791 1.00 3.03 H new ATOM 0 HZ1 LYS A 67 -5.204 35.713 -0.167 1.00 24.22 H new ATOM 0 HZ2 LYS A 67 -5.014 34.340 -1.147 1.00 24.22 H new ATOM 0 HZ3 LYS A 67 -4.761 35.888 -1.796 1.00 24.22 H new TER 1132 LYS A 67