USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1236 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 106 LYS NZ :NH3+ 144:sc= 0.869 (180deg=0) USER MOD Set 1.2: A 113 GLN : amide:sc= -0.895 K(o=-0.97,f=-3.8!) USER MOD Set 1.3: A 115 GLN : amide:sc= -1.36 K(o=-0.97,f=-3.7) USER MOD Set 1.4: A 147 GLN :FLIP amide:sc= 0.415 F(o=-4.1,f=-0.97) USER MOD Set 2.1: A 75 SER OG : rot 150:sc= 1.04 USER MOD Set 2.2: A 133 MET CE :methyl 178:sc= -3.81 (180deg=-3.86) USER MOD Set 2.3: A 137 GLN : amide:sc= 0.895 K(o=-1.9,f=-3.4) USER MOD Set 3.1: A 120 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 3.2: A 152 SER OG : rot -38:sc= 1.14 USER MOD Set 4.1: A 110 ASN : amide:sc= 1.76 K(o=2.8,f=-0.21) USER MOD Set 4.2: A 144 GLN : amide:sc= 1.06 K(o=2.8,f=0.092) USER MOD Set 5.1: A 102 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=0) USER MOD Set 5.2: A 104 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 68 HIS :FLIP no HD1:sc= 0 F(o=-1.6,f=-0.057) USER MOD Set 6.2: A 71 GLN :FLIP amide:sc= -0.0566 F(o=-1.5!,f=-0.057) USER MOD Single : A 1 HIS : no HE2:sc= 0.145 K(o=0.14,f=-0.73) USER MOD Single : A 1 HIS N :NH3+ 152:sc= 0.037 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -7:sc= 0.922 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 24 SER OG : rot 44:sc= 0.0269 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 46:sc= 0.145 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -162:sc= -0.139 (180deg=-0.597) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0727 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 57 SER OG : rot 180:sc= -0.128 USER MOD Single : A 62 SER OG : rot 180:sc= -0.144 USER MOD Single : A 67 SER OG : rot -60:sc= 1.24 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 73 THR OG1 : rot 92:sc= 1.32 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.388 F(o=-1.5,f=-0.39) USER MOD Single : A 77 GLN : amide:sc= -0.354 K(o=-0.35,f=-1.3) USER MOD Single : A 79 MET CE :methyl 165:sc= -0.453 (180deg=-0.609) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.305 F(o=-1.4,f=-0.3) USER MOD Single : A 86 GLN : amide:sc= 0.107 X(o=0.11,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 94 HIS : no HE2:sc= -0.118 X(o=-0.12,f=-0.58) USER MOD Single : A 100 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.4!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl -162:sc= -0.0544 (180deg=-0.583) USER MOD Single : A 118 SER OG : rot 180:sc= -0.18 USER MOD Single : A 121 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 122 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.26) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot -31:sc= 0.463 USER MOD Single : A 148 SER OG : rot 110:sc= -0.0679 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot -83:sc= 0.787 USER MOD Single : A 158 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 159 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 160 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc=-0.00546 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 166 GLN : amide:sc= -1.03 K(o=-1,f=-5.3!) USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 168 SER OG : rot -11:sc= 0.825 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 99.598 53.034 -29.358 1.00 71.31 N ATOM 2 CA HIS A 1 100.795 53.280 -30.187 1.00 43.21 C ATOM 3 C HIS A 1 101.949 52.431 -29.700 1.00 30.02 C ATOM 4 O HIS A 1 102.073 52.171 -28.496 1.00 73.31 O ATOM 5 CB HIS A 1 101.200 54.776 -30.164 1.00 0.35 C ATOM 6 CG HIS A 1 101.863 55.237 -28.884 1.00 71.53 C ATOM 7 ND1 HIS A 1 103.224 55.431 -28.768 1.00 54.41 N ATOM 8 CD2 HIS A 1 101.344 55.538 -27.671 1.00 72.23 C ATOM 9 CE1 HIS A 1 103.508 55.826 -27.543 1.00 12.40 C ATOM 10 NE2 HIS A 1 102.387 55.899 -26.859 1.00 63.50 N ATOM 0 H1 HIS A 1 98.999 53.884 -29.353 1.00 71.31 H new ATOM 0 H2 HIS A 1 99.062 52.235 -29.751 1.00 71.31 H new ATOM 0 H3 HIS A 1 99.890 52.810 -28.385 1.00 71.31 H new ATOM 0 HA HIS A 1 100.551 53.008 -31.214 1.00 43.21 H new ATOM 0 HB2 HIS A 1 101.878 54.967 -30.996 1.00 0.35 H new ATOM 0 HB3 HIS A 1 100.309 55.381 -30.333 1.00 0.35 H new ATOM 0 HD1 HIS A 1 103.905 55.291 -29.514 1.00 54.41 H new ATOM 0 HD2 HIS A 1 100.301 55.501 -27.394 1.00 72.23 H new ATOM 0 HE1 HIS A 1 104.494 56.052 -27.165 1.00 12.40 H new ATOM 21 N MET A 2 102.783 51.999 -30.619 1.00 63.02 N ATOM 22 CA MET A 2 103.961 51.242 -30.266 1.00 30.05 C ATOM 23 C MET A 2 105.012 52.192 -29.735 1.00 61.43 C ATOM 24 O MET A 2 104.924 53.407 -29.973 1.00 4.35 O ATOM 25 CB MET A 2 104.495 50.453 -31.469 1.00 4.54 C ATOM 26 CG MET A 2 103.604 49.289 -31.897 1.00 30.33 C ATOM 27 SD MET A 2 101.995 49.815 -32.534 1.00 74.14 S ATOM 28 CE MET A 2 101.206 48.229 -32.798 1.00 11.33 C ATOM 0 H MET A 2 102.666 52.160 -31.619 1.00 63.02 H new ATOM 0 HA MET A 2 103.703 50.516 -29.495 1.00 30.05 H new ATOM 0 HB2 MET A 2 104.615 51.134 -32.312 1.00 4.54 H new ATOM 0 HB3 MET A 2 105.486 50.068 -31.227 1.00 4.54 H new ATOM 0 HG2 MET A 2 104.119 48.710 -32.664 1.00 30.33 H new ATOM 0 HG3 MET A 2 103.451 48.626 -31.046 1.00 30.33 H new ATOM 0 HE1 MET A 2 100.201 48.383 -33.191 1.00 11.33 H new ATOM 0 HE2 MET A 2 101.789 47.647 -33.511 1.00 11.33 H new ATOM 0 HE3 MET A 2 101.147 47.690 -31.852 1.00 11.33 H new ATOM 38 N ALA A 3 105.983 51.651 -29.001 1.00 75.42 N ATOM 39 CA ALA A 3 107.030 52.448 -28.360 1.00 1.33 C ATOM 40 C ALA A 3 106.440 53.238 -27.196 1.00 64.50 C ATOM 41 O ALA A 3 105.246 53.120 -26.898 1.00 70.21 O ATOM 42 CB ALA A 3 107.734 53.370 -29.359 1.00 20.12 C ATOM 0 H ALA A 3 106.067 50.648 -28.833 1.00 75.42 H new ATOM 0 HA ALA A 3 107.789 51.768 -27.973 1.00 1.33 H new ATOM 0 HB1 ALA A 3 108.504 53.944 -28.844 1.00 20.12 H new ATOM 0 HB2 ALA A 3 108.193 52.771 -30.146 1.00 20.12 H new ATOM 0 HB3 ALA A 3 107.007 54.052 -29.800 1.00 20.12 H new ATOM 48 N SER A 4 107.257 54.028 -26.534 1.00 63.21 N ATOM 49 CA SER A 4 106.806 54.810 -25.391 1.00 1.21 C ATOM 50 C SER A 4 107.765 55.957 -25.121 1.00 60.40 C ATOM 51 O SER A 4 108.791 56.076 -25.781 1.00 53.44 O ATOM 52 CB SER A 4 106.703 53.913 -24.146 1.00 63.52 C ATOM 53 OG SER A 4 105.701 52.919 -24.312 1.00 12.21 O ATOM 0 H SER A 4 108.243 54.150 -26.765 1.00 63.21 H new ATOM 0 HA SER A 4 105.823 55.221 -25.619 1.00 1.21 H new ATOM 0 HB2 SER A 4 107.665 53.436 -23.957 1.00 63.52 H new ATOM 0 HB3 SER A 4 106.473 54.523 -23.273 1.00 63.52 H new ATOM 0 HG SER A 4 105.207 53.088 -25.142 1.00 12.21 H new ATOM 59 N ASP A 5 107.426 56.804 -24.159 1.00 4.20 N ATOM 60 CA ASP A 5 108.305 57.906 -23.785 1.00 34.11 C ATOM 61 C ASP A 5 109.433 57.369 -22.928 1.00 43.21 C ATOM 62 O ASP A 5 110.490 57.989 -22.807 1.00 64.24 O ATOM 63 CB ASP A 5 107.533 59.006 -23.034 1.00 64.31 C ATOM 64 CG ASP A 5 107.119 58.607 -21.628 1.00 65.43 C ATOM 65 OD1 ASP A 5 106.324 57.655 -21.482 1.00 72.45 O ATOM 66 OD2 ASP A 5 107.568 59.258 -20.664 1.00 12.15 O ATOM 0 H ASP A 5 106.557 56.752 -23.627 1.00 4.20 H new ATOM 0 HA ASP A 5 108.713 58.355 -24.690 1.00 34.11 H new ATOM 0 HB2 ASP A 5 108.152 59.901 -22.981 1.00 64.31 H new ATOM 0 HB3 ASP A 5 106.642 59.268 -23.605 1.00 64.31 H new ATOM 71 N ASP A 6 109.178 56.195 -22.339 1.00 13.42 N ATOM 72 CA ASP A 6 110.151 55.446 -21.538 1.00 15.13 C ATOM 73 C ASP A 6 110.569 56.154 -20.259 1.00 61.15 C ATOM 74 O ASP A 6 110.704 57.376 -20.207 1.00 2.34 O ATOM 75 CB ASP A 6 111.372 55.032 -22.369 1.00 22.15 C ATOM 76 CG ASP A 6 111.055 53.887 -23.311 1.00 54.13 C ATOM 77 OD1 ASP A 6 110.719 52.786 -22.815 1.00 35.12 O ATOM 78 OD2 ASP A 6 111.118 54.078 -24.539 1.00 63.41 O ATOM 0 H ASP A 6 108.272 55.731 -22.408 1.00 13.42 H new ATOM 0 HA ASP A 6 109.630 54.542 -21.222 1.00 15.13 H new ATOM 0 HB2 ASP A 6 111.726 55.887 -22.944 1.00 22.15 H new ATOM 0 HB3 ASP A 6 112.182 54.739 -21.702 1.00 22.15 H new ATOM 83 N ARG A 7 110.773 55.369 -19.227 1.00 44.21 N ATOM 84 CA ARG A 7 111.161 55.884 -17.927 1.00 44.44 C ATOM 85 C ARG A 7 112.655 55.712 -17.695 1.00 5.24 C ATOM 86 O ARG A 7 113.321 54.976 -18.426 1.00 74.44 O ATOM 87 CB ARG A 7 110.343 55.202 -16.809 1.00 62.53 C ATOM 88 CG ARG A 7 110.101 53.697 -17.009 1.00 45.53 C ATOM 89 CD ARG A 7 111.386 52.884 -16.942 1.00 70.33 C ATOM 90 NE ARG A 7 112.000 52.922 -15.614 1.00 41.34 N ATOM 91 CZ ARG A 7 113.314 52.868 -15.391 1.00 64.10 C ATOM 92 NH1 ARG A 7 114.168 52.863 -16.411 1.00 14.33 N ATOM 93 NH2 ARG A 7 113.774 52.840 -14.151 1.00 41.22 N ATOM 0 H ARG A 7 110.676 54.354 -19.261 1.00 44.21 H new ATOM 0 HA ARG A 7 110.944 56.952 -17.904 1.00 44.44 H new ATOM 0 HB2 ARG A 7 110.859 55.349 -15.860 1.00 62.53 H new ATOM 0 HB3 ARG A 7 109.378 55.703 -16.728 1.00 62.53 H new ATOM 0 HG2 ARG A 7 109.409 53.339 -16.247 1.00 45.53 H new ATOM 0 HG3 ARG A 7 109.623 53.535 -17.975 1.00 45.53 H new ATOM 0 HD2 ARG A 7 111.173 51.850 -17.212 1.00 70.33 H new ATOM 0 HD3 ARG A 7 112.094 53.266 -17.678 1.00 70.33 H new ATOM 0 HE ARG A 7 111.382 52.995 -14.806 1.00 41.34 H new ATOM 0 HH11 ARG A 7 113.819 52.901 -17.369 1.00 14.33 H new ATOM 0 HH12 ARG A 7 115.172 52.822 -16.235 1.00 14.33 H new ATOM 0 HH21 ARG A 7 113.124 52.860 -13.365 1.00 41.22 H new ATOM 0 HH22 ARG A 7 114.779 52.799 -13.981 1.00 41.22 H new ATOM 107 N ALA A 8 113.164 56.367 -16.668 1.00 73.30 N ATOM 108 CA ALA A 8 114.575 56.298 -16.335 1.00 35.12 C ATOM 109 C ALA A 8 114.794 56.751 -14.905 1.00 22.22 C ATOM 110 O ALA A 8 114.006 57.526 -14.366 1.00 3.22 O ATOM 111 CB ALA A 8 115.387 57.160 -17.292 1.00 23.05 C ATOM 0 H ALA A 8 112.615 56.959 -16.044 1.00 73.30 H new ATOM 0 HA ALA A 8 114.908 55.265 -16.432 1.00 35.12 H new ATOM 0 HB1 ALA A 8 116.443 57.098 -17.030 1.00 23.05 H new ATOM 0 HB2 ALA A 8 115.245 56.804 -18.312 1.00 23.05 H new ATOM 0 HB3 ALA A 8 115.055 58.196 -17.220 1.00 23.05 H new ATOM 117 N THR A 9 115.838 56.245 -14.284 1.00 71.23 N ATOM 118 CA THR A 9 116.167 56.596 -12.916 1.00 24.03 C ATOM 119 C THR A 9 117.675 56.511 -12.698 1.00 72.32 C ATOM 120 O THR A 9 118.297 55.484 -12.992 1.00 12.23 O ATOM 121 CB THR A 9 115.450 55.663 -11.912 1.00 42.00 C ATOM 122 OG1 THR A 9 114.031 55.682 -12.157 1.00 22.11 O ATOM 123 CG2 THR A 9 115.718 56.096 -10.477 1.00 61.52 C ATOM 0 H THR A 9 116.483 55.580 -14.711 1.00 71.23 H new ATOM 0 HA THR A 9 115.829 57.618 -12.744 1.00 24.03 H new ATOM 0 HB THR A 9 115.838 54.654 -12.050 1.00 42.00 H new ATOM 0 HG1 THR A 9 113.581 55.089 -11.520 1.00 22.11 H new ATOM 0 HG21 THR A 9 115.202 55.423 -9.792 1.00 61.52 H new ATOM 0 HG22 THR A 9 116.790 56.062 -10.281 1.00 61.52 H new ATOM 0 HG23 THR A 9 115.354 57.113 -10.330 1.00 61.52 H new ATOM 131 N GLY A 10 118.255 57.589 -12.205 1.00 55.33 N ATOM 132 CA GLY A 10 119.676 57.612 -11.957 1.00 20.23 C ATOM 133 C GLY A 10 120.470 57.788 -13.232 1.00 5.33 C ATOM 134 O GLY A 10 120.177 58.696 -14.020 1.00 2.23 O ATOM 0 H GLY A 10 117.765 58.452 -11.971 1.00 55.33 H new ATOM 0 HA2 GLY A 10 119.911 58.424 -11.268 1.00 20.23 H new ATOM 0 HA3 GLY A 10 119.974 56.684 -11.469 1.00 20.23 H new ATOM 138 N PRO A 11 121.476 56.926 -13.475 1.00 43.02 N ATOM 139 CA PRO A 11 122.308 56.997 -14.676 1.00 72.24 C ATOM 140 C PRO A 11 121.494 56.766 -15.936 1.00 55.35 C ATOM 141 O PRO A 11 121.122 55.627 -16.259 1.00 72.33 O ATOM 142 CB PRO A 11 123.336 55.872 -14.488 1.00 75.23 C ATOM 143 CG PRO A 11 123.277 55.526 -13.037 1.00 43.50 C ATOM 144 CD PRO A 11 121.877 55.818 -12.596 1.00 12.44 C ATOM 0 HA PRO A 11 122.766 57.979 -14.795 1.00 72.24 H new ATOM 0 HB2 PRO A 11 123.094 55.009 -15.109 1.00 75.23 H new ATOM 0 HB3 PRO A 11 124.335 56.200 -14.774 1.00 75.23 H new ATOM 0 HG2 PRO A 11 123.525 54.477 -12.876 1.00 43.50 H new ATOM 0 HG3 PRO A 11 123.996 56.114 -12.467 1.00 43.50 H new ATOM 0 HD2 PRO A 11 121.227 54.951 -12.717 1.00 12.44 H new ATOM 0 HD3 PRO A 11 121.836 56.102 -11.545 1.00 12.44 H new ATOM 152 N ALA A 12 121.201 57.845 -16.631 1.00 33.33 N ATOM 153 CA ALA A 12 120.415 57.796 -17.840 1.00 5.35 C ATOM 154 C ALA A 12 120.518 59.108 -18.585 1.00 0.13 C ATOM 155 O ALA A 12 120.037 60.143 -18.112 1.00 24.32 O ATOM 156 CB ALA A 12 118.964 57.493 -17.515 1.00 40.24 C ATOM 0 H ALA A 12 121.504 58.783 -16.370 1.00 33.33 H new ATOM 0 HA ALA A 12 120.804 57.000 -18.475 1.00 5.35 H new ATOM 0 HB1 ALA A 12 118.384 57.459 -18.437 1.00 40.24 H new ATOM 0 HB2 ALA A 12 118.898 56.530 -17.009 1.00 40.24 H new ATOM 0 HB3 ALA A 12 118.566 58.272 -16.865 1.00 40.24 H new ATOM 162 N LEU A 13 121.144 59.067 -19.740 1.00 61.13 N ATOM 163 CA LEU A 13 121.331 60.253 -20.556 1.00 61.41 C ATOM 164 C LEU A 13 121.418 59.863 -22.022 1.00 62.10 C ATOM 165 O LEU A 13 121.971 60.597 -22.844 1.00 44.43 O ATOM 166 CB LEU A 13 122.608 61.022 -20.139 1.00 14.03 C ATOM 167 CG LEU A 13 123.959 60.331 -20.421 1.00 15.42 C ATOM 168 CD1 LEU A 13 125.095 61.337 -20.339 1.00 10.31 C ATOM 169 CD2 LEU A 13 124.207 59.191 -19.441 1.00 30.33 C ATOM 0 H LEU A 13 121.537 58.216 -20.142 1.00 61.13 H new ATOM 0 HA LEU A 13 120.474 60.909 -20.404 1.00 61.41 H new ATOM 0 HB2 LEU A 13 122.606 61.985 -20.649 1.00 14.03 H new ATOM 0 HB3 LEU A 13 122.548 61.227 -19.070 1.00 14.03 H new ATOM 0 HG LEU A 13 123.919 59.917 -21.429 1.00 15.42 H new ATOM 0 HD11 LEU A 13 126.041 60.835 -20.540 1.00 10.31 H new ATOM 0 HD12 LEU A 13 124.938 62.124 -21.077 1.00 10.31 H new ATOM 0 HD13 LEU A 13 125.122 61.775 -19.341 1.00 10.31 H new ATOM 0 HD21 LEU A 13 125.166 58.722 -19.663 1.00 30.33 H new ATOM 0 HD22 LEU A 13 124.221 59.582 -18.424 1.00 30.33 H new ATOM 0 HD23 LEU A 13 123.411 58.452 -19.534 1.00 30.33 H new ATOM 181 N THR A 14 120.856 58.716 -22.350 1.00 20.13 N ATOM 182 CA THR A 14 120.877 58.241 -23.707 1.00 4.33 C ATOM 183 C THR A 14 119.753 58.897 -24.515 1.00 52.32 C ATOM 184 O THR A 14 118.595 58.957 -24.068 1.00 31.32 O ATOM 185 CB THR A 14 120.771 56.687 -23.783 1.00 15.40 C ATOM 186 OG1 THR A 14 120.856 56.251 -25.148 1.00 51.23 O ATOM 187 CG2 THR A 14 119.469 56.181 -23.166 1.00 14.20 C ATOM 0 H THR A 14 120.381 58.100 -21.690 1.00 20.13 H new ATOM 0 HA THR A 14 121.838 58.521 -24.139 1.00 4.33 H new ATOM 0 HB THR A 14 121.602 56.273 -23.212 1.00 15.40 H new ATOM 0 HG1 THR A 14 120.790 55.274 -25.184 1.00 51.23 H new ATOM 0 HG21 THR A 14 119.431 55.094 -23.237 1.00 14.20 H new ATOM 0 HG22 THR A 14 119.424 56.478 -22.118 1.00 14.20 H new ATOM 0 HG23 THR A 14 118.622 56.610 -23.701 1.00 14.20 H new ATOM 195 N PRO A 15 120.088 59.436 -25.696 1.00 12.43 N ATOM 196 CA PRO A 15 119.116 60.088 -26.574 1.00 70.53 C ATOM 197 C PRO A 15 118.175 59.079 -27.224 1.00 1.32 C ATOM 198 O PRO A 15 117.122 59.442 -27.752 1.00 53.41 O ATOM 199 CB PRO A 15 119.990 60.765 -27.631 1.00 51.32 C ATOM 200 CG PRO A 15 121.237 59.955 -27.663 1.00 2.14 C ATOM 201 CD PRO A 15 121.452 59.464 -26.263 1.00 24.13 C ATOM 0 HA PRO A 15 118.471 60.781 -26.035 1.00 70.53 H new ATOM 0 HB2 PRO A 15 119.499 60.775 -28.604 1.00 51.32 H new ATOM 0 HB3 PRO A 15 120.198 61.802 -27.368 1.00 51.32 H new ATOM 0 HG2 PRO A 15 121.142 59.121 -28.358 1.00 2.14 H new ATOM 0 HG3 PRO A 15 122.083 60.555 -27.999 1.00 2.14 H new ATOM 0 HD2 PRO A 15 121.913 58.476 -26.250 1.00 24.13 H new ATOM 0 HD3 PRO A 15 122.107 60.129 -25.700 1.00 24.13 H new ATOM 209 N LEU A 16 118.564 57.816 -27.182 1.00 41.24 N ATOM 210 CA LEU A 16 117.760 56.753 -27.745 1.00 11.21 C ATOM 211 C LEU A 16 116.614 56.407 -26.818 1.00 2.35 C ATOM 212 O LEU A 16 116.801 55.716 -25.817 1.00 33.22 O ATOM 213 CB LEU A 16 118.608 55.504 -28.006 1.00 44.42 C ATOM 214 CG LEU A 16 119.673 55.631 -29.093 1.00 5.35 C ATOM 215 CD1 LEU A 16 120.476 54.345 -29.196 1.00 2.15 C ATOM 216 CD2 LEU A 16 119.033 55.961 -30.430 1.00 53.31 C ATOM 0 H LEU A 16 119.439 57.504 -26.760 1.00 41.24 H new ATOM 0 HA LEU A 16 117.358 57.106 -28.694 1.00 11.21 H new ATOM 0 HB2 LEU A 16 119.100 55.222 -27.075 1.00 44.42 H new ATOM 0 HB3 LEU A 16 117.940 54.685 -28.274 1.00 44.42 H new ATOM 0 HG LEU A 16 120.347 56.444 -28.823 1.00 5.35 H new ATOM 0 HD11 LEU A 16 121.232 54.449 -29.975 1.00 2.15 H new ATOM 0 HD12 LEU A 16 120.963 54.143 -28.242 1.00 2.15 H new ATOM 0 HD13 LEU A 16 119.810 53.519 -29.445 1.00 2.15 H new ATOM 0 HD21 LEU A 16 119.807 56.048 -31.192 1.00 53.31 H new ATOM 0 HD22 LEU A 16 118.338 55.168 -30.707 1.00 53.31 H new ATOM 0 HD23 LEU A 16 118.493 56.905 -30.352 1.00 53.31 H new ATOM 228 N VAL A 17 115.437 56.896 -27.137 1.00 13.04 N ATOM 229 CA VAL A 17 114.270 56.584 -26.349 1.00 23.52 C ATOM 230 C VAL A 17 113.686 55.245 -26.805 1.00 75.14 C ATOM 231 O VAL A 17 112.868 55.170 -27.733 1.00 44.14 O ATOM 232 CB VAL A 17 113.204 57.725 -26.397 1.00 13.23 C ATOM 233 CG1 VAL A 17 112.850 58.108 -27.828 1.00 64.04 C ATOM 234 CG2 VAL A 17 111.960 57.336 -25.614 1.00 2.02 C ATOM 0 H VAL A 17 115.264 57.509 -27.934 1.00 13.04 H new ATOM 0 HA VAL A 17 114.574 56.498 -25.306 1.00 23.52 H new ATOM 0 HB VAL A 17 113.644 58.604 -25.926 1.00 13.23 H new ATOM 0 HG11 VAL A 17 112.106 58.904 -27.818 1.00 64.04 H new ATOM 0 HG12 VAL A 17 113.745 58.455 -28.344 1.00 64.04 H new ATOM 0 HG13 VAL A 17 112.445 57.240 -28.348 1.00 64.04 H new ATOM 0 HG21 VAL A 17 111.232 58.146 -25.662 1.00 2.02 H new ATOM 0 HG22 VAL A 17 111.527 56.433 -26.044 1.00 2.02 H new ATOM 0 HG23 VAL A 17 112.228 57.150 -24.574 1.00 2.02 H new ATOM 244 N VAL A 18 114.161 54.182 -26.190 1.00 61.15 N ATOM 245 CA VAL A 18 113.750 52.850 -26.552 1.00 11.31 C ATOM 246 C VAL A 18 113.944 51.884 -25.377 1.00 71.41 C ATOM 247 O VAL A 18 114.780 52.118 -24.496 1.00 74.13 O ATOM 248 CB VAL A 18 114.547 52.352 -27.800 1.00 0.12 C ATOM 249 CG1 VAL A 18 116.032 52.229 -27.492 1.00 32.50 C ATOM 250 CG2 VAL A 18 113.989 51.040 -28.336 1.00 54.30 C ATOM 0 H VAL A 18 114.839 54.221 -25.429 1.00 61.15 H new ATOM 0 HA VAL A 18 112.690 52.877 -26.804 1.00 11.31 H new ATOM 0 HB VAL A 18 114.427 53.102 -28.582 1.00 0.12 H new ATOM 0 HG11 VAL A 18 116.560 51.880 -28.380 1.00 32.50 H new ATOM 0 HG12 VAL A 18 116.424 53.202 -27.195 1.00 32.50 H new ATOM 0 HG13 VAL A 18 116.177 51.516 -26.680 1.00 32.50 H new ATOM 0 HG21 VAL A 18 114.569 50.725 -29.204 1.00 54.30 H new ATOM 0 HG22 VAL A 18 114.050 50.275 -27.562 1.00 54.30 H new ATOM 0 HG23 VAL A 18 112.948 51.179 -28.627 1.00 54.30 H new ATOM 260 N ALA A 19 113.167 50.814 -25.376 1.00 75.31 N ATOM 261 CA ALA A 19 113.240 49.775 -24.357 1.00 63.22 C ATOM 262 C ALA A 19 112.492 48.550 -24.843 1.00 33.43 C ATOM 263 O ALA A 19 112.893 47.412 -24.587 1.00 13.13 O ATOM 264 CB ALA A 19 112.660 50.262 -23.035 1.00 15.31 C ATOM 0 H ALA A 19 112.459 50.638 -26.089 1.00 75.31 H new ATOM 0 HA ALA A 19 114.286 49.521 -24.185 1.00 63.22 H new ATOM 0 HB1 ALA A 19 112.727 49.466 -22.293 1.00 15.31 H new ATOM 0 HB2 ALA A 19 113.222 51.130 -22.689 1.00 15.31 H new ATOM 0 HB3 ALA A 19 111.615 50.539 -23.176 1.00 15.31 H new ATOM 270 N ALA A 20 111.393 48.799 -25.542 1.00 73.44 N ATOM 271 CA ALA A 20 110.605 47.749 -26.154 1.00 32.44 C ATOM 272 C ALA A 20 111.317 47.196 -27.394 1.00 74.42 C ATOM 273 O ALA A 20 112.515 47.434 -27.599 1.00 15.13 O ATOM 274 CB ALA A 20 109.227 48.284 -26.523 1.00 61.14 C ATOM 0 H ALA A 20 111.026 49.738 -25.698 1.00 73.44 H new ATOM 0 HA ALA A 20 110.487 46.935 -25.439 1.00 32.44 H new ATOM 0 HB1 ALA A 20 108.639 47.489 -26.983 1.00 61.14 H new ATOM 0 HB2 ALA A 20 108.721 48.636 -25.624 1.00 61.14 H new ATOM 0 HB3 ALA A 20 109.334 49.110 -27.226 1.00 61.14 H new ATOM 280 N ALA A 21 110.573 46.494 -28.231 1.00 3.21 N ATOM 281 CA ALA A 21 111.118 45.896 -29.432 1.00 74.03 C ATOM 282 C ALA A 21 109.989 45.505 -30.369 1.00 5.13 C ATOM 283 O ALA A 21 108.847 45.936 -30.184 1.00 31.42 O ATOM 284 CB ALA A 21 111.960 44.673 -29.073 1.00 53.42 C ATOM 0 H ALA A 21 109.576 46.324 -28.096 1.00 3.21 H new ATOM 0 HA ALA A 21 111.757 46.621 -29.935 1.00 74.03 H new ATOM 0 HB1 ALA A 21 112.365 44.230 -29.983 1.00 53.42 H new ATOM 0 HB2 ALA A 21 112.779 44.974 -28.420 1.00 53.42 H new ATOM 0 HB3 ALA A 21 111.337 43.940 -28.560 1.00 53.42 H new ATOM 290 N ALA A 22 110.295 44.683 -31.351 1.00 72.22 N ATOM 291 CA ALA A 22 109.306 44.254 -32.320 1.00 52.55 C ATOM 292 C ALA A 22 109.729 42.948 -32.954 1.00 21.44 C ATOM 293 O ALA A 22 110.893 42.776 -33.331 1.00 63.30 O ATOM 294 CB ALA A 22 109.112 45.322 -33.389 1.00 14.45 C ATOM 0 H ALA A 22 111.227 44.296 -31.500 1.00 72.22 H new ATOM 0 HA ALA A 22 108.357 44.102 -31.806 1.00 52.55 H new ATOM 0 HB1 ALA A 22 108.366 44.985 -34.109 1.00 14.45 H new ATOM 0 HB2 ALA A 22 108.773 46.247 -32.922 1.00 14.45 H new ATOM 0 HB3 ALA A 22 110.057 45.499 -33.902 1.00 14.45 H new ATOM 300 N THR A 23 108.792 42.028 -33.054 1.00 73.15 N ATOM 301 CA THR A 23 109.058 40.723 -33.607 1.00 1.54 C ATOM 302 C THR A 23 107.759 40.097 -34.117 1.00 70.21 C ATOM 303 O THR A 23 106.664 40.567 -33.784 1.00 22.43 O ATOM 304 CB THR A 23 109.718 39.798 -32.546 1.00 73.21 C ATOM 305 OG1 THR A 23 110.073 38.537 -33.128 1.00 71.54 O ATOM 306 CG2 THR A 23 108.785 39.571 -31.364 1.00 21.20 C ATOM 0 H THR A 23 107.827 42.167 -32.754 1.00 73.15 H new ATOM 0 HA THR A 23 109.751 40.836 -34.441 1.00 1.54 H new ATOM 0 HB THR A 23 110.621 40.294 -32.189 1.00 73.21 H new ATOM 0 HG1 THR A 23 110.489 37.968 -32.447 1.00 71.54 H new ATOM 0 HG21 THR A 23 109.271 38.921 -30.637 1.00 21.20 H new ATOM 0 HG22 THR A 23 108.551 40.527 -30.896 1.00 21.20 H new ATOM 0 HG23 THR A 23 107.864 39.102 -31.712 1.00 21.20 H new ATOM 314 N SER A 24 107.885 39.053 -34.923 1.00 34.34 N ATOM 315 CA SER A 24 106.734 38.373 -35.487 1.00 14.40 C ATOM 316 C SER A 24 107.152 37.062 -36.151 1.00 74.43 C ATOM 317 O SER A 24 107.900 37.066 -37.133 1.00 21.23 O ATOM 318 CB SER A 24 106.030 39.287 -36.497 1.00 3.03 C ATOM 319 OG SER A 24 106.977 39.950 -37.325 1.00 62.01 O ATOM 0 H SER A 24 108.783 38.657 -35.202 1.00 34.34 H new ATOM 0 HA SER A 24 106.039 38.137 -34.681 1.00 14.40 H new ATOM 0 HB2 SER A 24 105.350 38.699 -37.114 1.00 3.03 H new ATOM 0 HB3 SER A 24 105.425 40.023 -35.968 1.00 3.03 H new ATOM 0 HG SER A 24 107.666 39.313 -37.609 1.00 62.01 H new ATOM 325 N ALA A 25 106.680 35.945 -35.602 1.00 63.13 N ATOM 326 CA ALA A 25 106.995 34.627 -36.136 1.00 73.10 C ATOM 327 C ALA A 25 106.122 33.546 -35.502 1.00 53.10 C ATOM 328 O ALA A 25 106.507 32.928 -34.507 1.00 2.35 O ATOM 329 CB ALA A 25 108.471 34.296 -35.931 1.00 34.11 C ATOM 0 H ALA A 25 106.074 35.930 -34.782 1.00 63.13 H new ATOM 0 HA ALA A 25 106.786 34.650 -37.206 1.00 73.10 H new ATOM 0 HB1 ALA A 25 108.682 33.307 -36.338 1.00 34.11 H new ATOM 0 HB2 ALA A 25 109.085 35.037 -36.443 1.00 34.11 H new ATOM 0 HB3 ALA A 25 108.702 34.307 -34.866 1.00 34.11 H new ATOM 335 N LYS A 26 104.934 33.350 -36.060 1.00 74.33 N ATOM 336 CA LYS A 26 104.018 32.318 -35.588 1.00 24.25 C ATOM 337 C LYS A 26 102.945 32.045 -36.629 1.00 1.31 C ATOM 338 O LYS A 26 102.637 32.907 -37.454 1.00 41.42 O ATOM 339 CB LYS A 26 103.369 32.715 -34.251 1.00 72.02 C ATOM 340 CG LYS A 26 102.488 33.956 -34.324 1.00 43.22 C ATOM 341 CD LYS A 26 101.890 34.298 -32.966 1.00 75.45 C ATOM 342 CE LYS A 26 100.948 33.209 -32.476 1.00 63.01 C ATOM 343 NZ LYS A 26 100.432 33.493 -31.116 1.00 63.52 N ATOM 0 H LYS A 26 104.580 33.896 -36.845 1.00 74.33 H new ATOM 0 HA LYS A 26 104.596 31.408 -35.427 1.00 24.25 H new ATOM 0 HB2 LYS A 26 102.770 31.879 -33.890 1.00 72.02 H new ATOM 0 HB3 LYS A 26 104.155 32.885 -33.516 1.00 72.02 H new ATOM 0 HG2 LYS A 26 103.076 34.799 -34.687 1.00 43.22 H new ATOM 0 HG3 LYS A 26 101.687 33.792 -35.045 1.00 43.22 H new ATOM 0 HD2 LYS A 26 102.691 34.440 -32.241 1.00 75.45 H new ATOM 0 HD3 LYS A 26 101.350 35.243 -33.033 1.00 75.45 H new ATOM 0 HE2 LYS A 26 100.112 33.114 -33.169 1.00 63.01 H new ATOM 0 HE3 LYS A 26 101.470 32.252 -32.473 1.00 63.01 H new ATOM 0 HZ1 LYS A 26 99.794 32.727 -30.820 1.00 63.52 H new ATOM 0 HZ2 LYS A 26 101.228 33.558 -30.449 1.00 63.52 H new ATOM 0 HZ3 LYS A 26 99.912 34.393 -31.123 1.00 63.52 H new ATOM 357 N VAL A 27 102.389 30.852 -36.598 1.00 1.22 N ATOM 358 CA VAL A 27 101.326 30.474 -37.509 1.00 71.14 C ATOM 359 C VAL A 27 100.410 29.428 -36.857 1.00 23.25 C ATOM 360 O VAL A 27 100.680 28.226 -36.880 1.00 40.51 O ATOM 361 CB VAL A 27 101.882 29.971 -38.879 1.00 31.40 C ATOM 362 CG1 VAL A 27 102.902 28.852 -38.701 1.00 30.30 C ATOM 363 CG2 VAL A 27 100.751 29.536 -39.798 1.00 14.31 C ATOM 0 H VAL A 27 102.659 30.118 -35.943 1.00 1.22 H new ATOM 0 HA VAL A 27 100.735 31.365 -37.720 1.00 71.14 H new ATOM 0 HB VAL A 27 102.399 30.809 -39.347 1.00 31.40 H new ATOM 0 HG11 VAL A 27 103.264 28.531 -39.678 1.00 30.30 H new ATOM 0 HG12 VAL A 27 103.740 29.215 -38.105 1.00 30.30 H new ATOM 0 HG13 VAL A 27 102.433 28.009 -38.193 1.00 30.30 H new ATOM 0 HG21 VAL A 27 101.165 29.190 -40.745 1.00 14.31 H new ATOM 0 HG22 VAL A 27 100.192 28.726 -39.329 1.00 14.31 H new ATOM 0 HG23 VAL A 27 100.085 30.379 -39.979 1.00 14.31 H new ATOM 373 N GLU A 28 99.356 29.905 -36.230 1.00 62.21 N ATOM 374 CA GLU A 28 98.427 29.037 -35.535 1.00 24.01 C ATOM 375 C GLU A 28 97.309 28.557 -36.446 1.00 73.24 C ATOM 376 O GLU A 28 97.009 29.182 -37.471 1.00 22.14 O ATOM 377 CB GLU A 28 97.849 29.749 -34.318 1.00 0.32 C ATOM 378 CG GLU A 28 98.903 30.185 -33.315 1.00 22.33 C ATOM 379 CD GLU A 28 99.706 29.020 -32.782 1.00 55.32 C ATOM 380 OE1 GLU A 28 100.705 28.641 -33.417 1.00 33.44 O ATOM 381 OE2 GLU A 28 99.334 28.476 -31.724 1.00 54.23 O ATOM 0 H GLU A 28 99.119 30.896 -36.187 1.00 62.21 H new ATOM 0 HA GLU A 28 98.982 28.158 -35.207 1.00 24.01 H new ATOM 0 HB2 GLU A 28 97.290 30.624 -34.650 1.00 0.32 H new ATOM 0 HB3 GLU A 28 97.139 29.087 -33.823 1.00 0.32 H new ATOM 0 HG2 GLU A 28 99.576 30.901 -33.787 1.00 22.33 H new ATOM 0 HG3 GLU A 28 98.420 30.700 -32.485 1.00 22.33 H new ATOM 388 N VAL A 29 96.708 27.441 -36.074 1.00 73.13 N ATOM 389 CA VAL A 29 95.593 26.871 -36.801 1.00 2.23 C ATOM 390 C VAL A 29 94.829 25.884 -35.907 1.00 21.10 C ATOM 391 O VAL A 29 95.375 24.870 -35.467 1.00 3.44 O ATOM 392 CB VAL A 29 96.050 26.178 -38.124 1.00 64.11 C ATOM 393 CG1 VAL A 29 97.172 25.177 -37.874 1.00 14.01 C ATOM 394 CG2 VAL A 29 94.874 25.506 -38.815 1.00 13.40 C ATOM 0 H VAL A 29 96.984 26.903 -35.253 1.00 73.13 H new ATOM 0 HA VAL A 29 94.927 27.687 -37.081 1.00 2.23 H new ATOM 0 HB VAL A 29 96.441 26.953 -38.783 1.00 64.11 H new ATOM 0 HG11 VAL A 29 97.464 24.715 -38.817 1.00 14.01 H new ATOM 0 HG12 VAL A 29 98.030 25.692 -37.442 1.00 14.01 H new ATOM 0 HG13 VAL A 29 96.826 24.407 -37.184 1.00 14.01 H new ATOM 0 HG21 VAL A 29 95.216 25.030 -39.734 1.00 13.40 H new ATOM 0 HG22 VAL A 29 94.445 24.753 -38.154 1.00 13.40 H new ATOM 0 HG23 VAL A 29 94.117 26.253 -39.053 1.00 13.40 H new ATOM 404 N ASP A 30 93.579 26.205 -35.618 1.00 63.23 N ATOM 405 CA ASP A 30 92.748 25.365 -34.763 1.00 31.11 C ATOM 406 C ASP A 30 91.283 25.684 -34.994 1.00 41.32 C ATOM 407 O ASP A 30 90.936 26.820 -35.325 1.00 3.00 O ATOM 408 CB ASP A 30 93.105 25.592 -33.286 1.00 50.24 C ATOM 409 CG ASP A 30 92.500 24.549 -32.366 1.00 60.51 C ATOM 410 OD1 ASP A 30 93.093 23.453 -32.238 1.00 62.22 O ATOM 411 OD2 ASP A 30 91.440 24.815 -31.761 1.00 51.22 O ATOM 0 H ASP A 30 93.113 27.044 -35.963 1.00 63.23 H new ATOM 0 HA ASP A 30 92.931 24.320 -35.012 1.00 31.11 H new ATOM 0 HB2 ASP A 30 94.189 25.583 -33.174 1.00 50.24 H new ATOM 0 HB3 ASP A 30 92.761 26.581 -32.982 1.00 50.24 H new ATOM 416 N SER A 31 90.428 24.695 -34.831 1.00 44.43 N ATOM 417 CA SER A 31 89.007 24.885 -35.033 1.00 72.00 C ATOM 418 C SER A 31 88.199 23.900 -34.192 1.00 63.03 C ATOM 419 O SER A 31 88.185 22.701 -34.469 1.00 15.11 O ATOM 420 CB SER A 31 88.658 24.741 -36.521 1.00 43.22 C ATOM 421 OG SER A 31 89.230 23.562 -37.077 1.00 52.11 O ATOM 0 H SER A 31 90.694 23.749 -34.558 1.00 44.43 H new ATOM 0 HA SER A 31 88.747 25.893 -34.710 1.00 72.00 H new ATOM 0 HB2 SER A 31 87.575 24.713 -36.641 1.00 43.22 H new ATOM 0 HB3 SER A 31 89.017 25.614 -37.067 1.00 43.22 H new ATOM 0 HG SER A 31 89.076 22.807 -36.471 1.00 52.11 H new ATOM 427 N PRO A 32 87.529 24.396 -33.145 1.00 55.02 N ATOM 428 CA PRO A 32 86.723 23.560 -32.263 1.00 54.22 C ATOM 429 C PRO A 32 85.409 23.147 -32.918 1.00 53.31 C ATOM 430 O PRO A 32 84.851 23.886 -33.737 1.00 52.12 O ATOM 431 CB PRO A 32 86.460 24.467 -31.059 1.00 13.44 C ATOM 432 CG PRO A 32 86.506 25.847 -31.614 1.00 51.44 C ATOM 433 CD PRO A 32 87.504 25.815 -32.741 1.00 63.54 C ATOM 0 HA PRO A 32 87.224 22.627 -32.005 1.00 54.22 H new ATOM 0 HB2 PRO A 32 85.492 24.254 -30.606 1.00 13.44 H new ATOM 0 HB3 PRO A 32 87.213 24.326 -30.284 1.00 13.44 H new ATOM 0 HG2 PRO A 32 85.524 26.155 -31.973 1.00 51.44 H new ATOM 0 HG3 PRO A 32 86.805 26.564 -30.850 1.00 51.44 H new ATOM 0 HD2 PRO A 32 87.199 26.461 -33.565 1.00 63.54 H new ATOM 0 HD3 PRO A 32 88.487 26.156 -32.416 1.00 63.54 H new ATOM 441 N PRO A 33 84.909 21.951 -32.587 1.00 25.43 N ATOM 442 CA PRO A 33 83.647 21.449 -33.125 1.00 2.13 C ATOM 443 C PRO A 33 82.444 22.177 -32.528 1.00 74.02 C ATOM 444 O PRO A 33 82.595 23.010 -31.630 1.00 33.12 O ATOM 445 CB PRO A 33 83.646 19.980 -32.708 1.00 32.22 C ATOM 446 CG PRO A 33 84.488 19.936 -31.486 1.00 33.40 C ATOM 447 CD PRO A 33 85.545 20.986 -31.671 1.00 13.44 C ATOM 0 HA PRO A 33 83.568 21.597 -34.202 1.00 2.13 H new ATOM 0 HB2 PRO A 33 82.635 19.626 -32.506 1.00 32.22 H new ATOM 0 HB3 PRO A 33 84.055 19.345 -33.494 1.00 32.22 H new ATOM 0 HG2 PRO A 33 83.893 20.135 -30.595 1.00 33.40 H new ATOM 0 HG3 PRO A 33 84.936 18.951 -31.356 1.00 33.40 H new ATOM 0 HD2 PRO A 33 85.820 21.451 -30.724 1.00 13.44 H new ATOM 0 HD3 PRO A 33 86.457 20.568 -32.097 1.00 13.44 H new ATOM 455 N ALA A 34 81.261 21.858 -33.024 1.00 34.04 N ATOM 456 CA ALA A 34 80.037 22.495 -32.564 1.00 23.31 C ATOM 457 C ALA A 34 79.686 22.068 -31.139 1.00 10.24 C ATOM 458 O ALA A 34 79.449 20.885 -30.875 1.00 13.11 O ATOM 459 CB ALA A 34 78.891 22.174 -33.508 1.00 14.11 C ATOM 0 H ALA A 34 81.121 21.156 -33.751 1.00 34.04 H new ATOM 0 HA ALA A 34 80.202 23.572 -32.558 1.00 23.31 H new ATOM 0 HB1 ALA A 34 77.981 22.657 -33.152 1.00 14.11 H new ATOM 0 HB2 ALA A 34 79.129 22.539 -34.507 1.00 14.11 H new ATOM 0 HB3 ALA A 34 78.740 21.095 -33.543 1.00 14.11 H new ATOM 465 N PRO A 35 79.656 23.030 -30.202 1.00 54.45 N ATOM 466 CA PRO A 35 79.314 22.768 -28.808 1.00 70.43 C ATOM 467 C PRO A 35 77.799 22.728 -28.598 1.00 65.42 C ATOM 468 O PRO A 35 77.233 23.544 -27.869 1.00 44.42 O ATOM 469 CB PRO A 35 79.928 23.963 -28.079 1.00 12.43 C ATOM 470 CG PRO A 35 79.859 25.081 -29.064 1.00 54.42 C ATOM 471 CD PRO A 35 79.965 24.456 -30.434 1.00 13.12 C ATOM 0 HA PRO A 35 79.679 21.803 -28.456 1.00 70.43 H new ATOM 0 HB2 PRO A 35 79.374 24.200 -27.171 1.00 12.43 H new ATOM 0 HB3 PRO A 35 80.957 23.760 -27.781 1.00 12.43 H new ATOM 0 HG2 PRO A 35 78.924 25.631 -28.961 1.00 54.42 H new ATOM 0 HG3 PRO A 35 80.668 25.793 -28.899 1.00 54.42 H new ATOM 0 HD2 PRO A 35 79.262 24.908 -31.134 1.00 13.12 H new ATOM 0 HD3 PRO A 35 80.962 24.585 -30.855 1.00 13.12 H new ATOM 479 N VAL A 36 77.154 21.775 -29.238 1.00 1.11 N ATOM 480 CA VAL A 36 75.711 21.637 -29.149 1.00 11.22 C ATOM 481 C VAL A 36 75.307 20.857 -27.901 1.00 63.30 C ATOM 482 O VAL A 36 76.121 20.154 -27.300 1.00 71.25 O ATOM 483 CB VAL A 36 75.128 20.942 -30.401 1.00 73.11 C ATOM 484 CG1 VAL A 36 75.352 21.798 -31.638 1.00 11.21 C ATOM 485 CG2 VAL A 36 75.743 19.561 -30.590 1.00 50.32 C ATOM 0 H VAL A 36 77.608 21.079 -29.830 1.00 1.11 H new ATOM 0 HA VAL A 36 75.301 22.645 -29.087 1.00 11.22 H new ATOM 0 HB VAL A 36 74.055 20.820 -30.253 1.00 73.11 H new ATOM 0 HG11 VAL A 36 74.935 21.294 -32.510 1.00 11.21 H new ATOM 0 HG12 VAL A 36 74.860 22.762 -31.507 1.00 11.21 H new ATOM 0 HG13 VAL A 36 76.421 21.953 -31.785 1.00 11.21 H new ATOM 0 HG21 VAL A 36 75.317 19.091 -31.477 1.00 50.32 H new ATOM 0 HG22 VAL A 36 76.822 19.657 -30.712 1.00 50.32 H new ATOM 0 HG23 VAL A 36 75.530 18.945 -29.716 1.00 50.32 H new ATOM 495 N THR A 37 74.060 20.997 -27.505 1.00 75.00 N ATOM 496 CA THR A 37 73.535 20.303 -26.346 1.00 20.13 C ATOM 497 C THR A 37 72.045 20.024 -26.538 1.00 4.32 C ATOM 498 O THR A 37 71.288 20.899 -26.960 1.00 0.03 O ATOM 499 CB THR A 37 73.760 21.123 -25.051 1.00 62.21 C ATOM 500 OG1 THR A 37 75.161 21.415 -24.904 1.00 2.20 O ATOM 501 CG2 THR A 37 73.282 20.353 -23.826 1.00 22.13 C ATOM 0 H THR A 37 73.381 21.595 -27.976 1.00 75.00 H new ATOM 0 HA THR A 37 74.070 19.359 -26.244 1.00 20.13 H new ATOM 0 HB THR A 37 73.188 22.047 -25.129 1.00 62.21 H new ATOM 0 HG1 THR A 37 75.303 21.935 -24.086 1.00 2.20 H new ATOM 0 HG21 THR A 37 73.452 20.952 -22.931 1.00 22.13 H new ATOM 0 HG22 THR A 37 72.218 20.139 -23.923 1.00 22.13 H new ATOM 0 HG23 THR A 37 73.834 19.417 -23.746 1.00 22.13 H new ATOM 509 N HIS A 38 71.639 18.800 -26.254 1.00 12.14 N ATOM 510 CA HIS A 38 70.254 18.383 -26.421 1.00 74.42 C ATOM 511 C HIS A 38 69.653 18.014 -25.077 1.00 21.40 C ATOM 512 O HIS A 38 70.371 17.888 -24.089 1.00 61.23 O ATOM 513 CB HIS A 38 70.171 17.181 -27.372 1.00 5.01 C ATOM 514 CG HIS A 38 70.728 17.444 -28.738 1.00 32.02 C ATOM 515 ND1 HIS A 38 72.045 17.213 -29.072 1.00 15.11 N ATOM 516 CD2 HIS A 38 70.142 17.924 -29.855 1.00 2.52 C ATOM 517 CE1 HIS A 38 72.242 17.544 -30.330 1.00 72.13 C ATOM 518 NE2 HIS A 38 71.105 17.979 -30.830 1.00 13.22 N ATOM 0 H HIS A 38 72.255 18.067 -25.902 1.00 12.14 H new ATOM 0 HA HIS A 38 69.692 19.213 -26.848 1.00 74.42 H new ATOM 0 HB2 HIS A 38 70.707 16.342 -26.928 1.00 5.01 H new ATOM 0 HB3 HIS A 38 69.128 16.878 -27.468 1.00 5.01 H new ATOM 0 HD2 HIS A 38 69.106 18.212 -29.961 1.00 2.52 H new ATOM 0 HE1 HIS A 38 73.179 17.471 -30.863 1.00 72.13 H new ATOM 0 HE2 HIS A 38 70.963 18.304 -31.786 1.00 13.22 H new ATOM 527 N GLY A 39 68.346 17.845 -25.041 1.00 72.14 N ATOM 528 CA GLY A 39 67.680 17.478 -23.808 1.00 14.33 C ATOM 529 C GLY A 39 66.197 17.760 -23.863 1.00 43.31 C ATOM 530 O GLY A 39 65.782 18.822 -24.344 1.00 20.45 O ATOM 0 H GLY A 39 67.728 17.955 -25.845 1.00 72.14 H new ATOM 0 HA2 GLY A 39 67.841 16.418 -23.610 1.00 14.33 H new ATOM 0 HA3 GLY A 39 68.124 18.028 -22.978 1.00 14.33 H new ATOM 534 N ALA A 40 65.395 16.819 -23.377 1.00 11.25 N ATOM 535 CA ALA A 40 63.946 16.967 -23.389 1.00 5.00 C ATOM 536 C ALA A 40 63.273 15.919 -22.511 1.00 22.21 C ATOM 537 O ALA A 40 63.830 14.840 -22.272 1.00 41.33 O ATOM 538 CB ALA A 40 63.420 16.864 -24.812 1.00 62.51 C ATOM 0 H ALA A 40 65.726 15.944 -22.969 1.00 11.25 H new ATOM 0 HA ALA A 40 63.708 17.951 -22.985 1.00 5.00 H new ATOM 0 HB1 ALA A 40 62.336 16.976 -24.808 1.00 62.51 H new ATOM 0 HB2 ALA A 40 63.864 17.651 -25.422 1.00 62.51 H new ATOM 0 HB3 ALA A 40 63.683 15.891 -25.227 1.00 62.51 H new ATOM 544 N ALA A 41 62.079 16.251 -22.032 1.00 5.52 N ATOM 545 CA ALA A 41 61.280 15.369 -21.190 1.00 5.11 C ATOM 546 C ALA A 41 59.882 15.950 -21.031 1.00 15.25 C ATOM 547 O ALA A 41 59.723 17.169 -20.984 1.00 60.40 O ATOM 548 CB ALA A 41 61.938 15.186 -19.826 1.00 11.14 C ATOM 0 H ALA A 41 61.634 17.150 -22.220 1.00 5.52 H new ATOM 0 HA ALA A 41 61.211 14.391 -21.665 1.00 5.11 H new ATOM 0 HB1 ALA A 41 61.326 14.525 -19.213 1.00 11.14 H new ATOM 0 HB2 ALA A 41 62.928 14.748 -19.955 1.00 11.14 H new ATOM 0 HB3 ALA A 41 62.031 16.154 -19.334 1.00 11.14 H new ATOM 554 N MET A 42 58.872 15.090 -20.952 1.00 73.40 N ATOM 555 CA MET A 42 57.484 15.544 -20.828 1.00 62.33 C ATOM 556 C MET A 42 56.654 14.556 -20.018 1.00 30.32 C ATOM 557 O MET A 42 56.472 13.404 -20.422 1.00 73.43 O ATOM 558 CB MET A 42 56.830 15.726 -22.216 1.00 52.52 C ATOM 559 CG MET A 42 57.423 16.845 -23.060 1.00 72.35 C ATOM 560 SD MET A 42 56.572 17.064 -24.640 1.00 31.54 S ATOM 561 CE MET A 42 56.819 15.456 -25.394 1.00 21.54 C ATOM 0 H MET A 42 58.984 14.076 -20.971 1.00 73.40 H new ATOM 0 HA MET A 42 57.508 16.504 -20.313 1.00 62.33 H new ATOM 0 HB2 MET A 42 56.915 14.790 -22.768 1.00 52.52 H new ATOM 0 HB3 MET A 42 55.766 15.919 -22.078 1.00 52.52 H new ATOM 0 HG2 MET A 42 57.380 17.778 -22.498 1.00 72.35 H new ATOM 0 HG3 MET A 42 58.476 16.633 -23.247 1.00 72.35 H new ATOM 0 HE1 MET A 42 56.644 15.527 -26.468 1.00 21.54 H new ATOM 0 HE2 MET A 42 57.841 15.123 -25.214 1.00 21.54 H new ATOM 0 HE3 MET A 42 56.122 14.739 -24.959 1.00 21.54 H new ATOM 571 N PRO A 43 56.148 14.989 -18.854 1.00 45.31 N ATOM 572 CA PRO A 43 55.290 14.161 -18.007 1.00 5.12 C ATOM 573 C PRO A 43 53.844 14.146 -18.512 1.00 53.20 C ATOM 574 O PRO A 43 53.538 14.707 -19.566 1.00 2.21 O ATOM 575 CB PRO A 43 55.366 14.867 -16.653 1.00 64.34 C ATOM 576 CG PRO A 43 55.577 16.300 -16.991 1.00 34.24 C ATOM 577 CD PRO A 43 56.388 16.322 -18.262 1.00 1.24 C ATOM 0 HA PRO A 43 55.605 13.118 -17.983 1.00 5.12 H new ATOM 0 HB2 PRO A 43 54.450 14.725 -16.080 1.00 64.34 H new ATOM 0 HB3 PRO A 43 56.184 14.477 -16.048 1.00 64.34 H new ATOM 0 HG2 PRO A 43 54.624 16.811 -17.129 1.00 34.24 H new ATOM 0 HG3 PRO A 43 56.101 16.816 -16.187 1.00 34.24 H new ATOM 0 HD2 PRO A 43 56.065 17.121 -18.930 1.00 1.24 H new ATOM 0 HD3 PRO A 43 57.446 16.485 -18.059 1.00 1.24 H new ATOM 585 N THR A 44 52.963 13.512 -17.761 1.00 11.01 N ATOM 586 CA THR A 44 51.560 13.461 -18.120 1.00 15.31 C ATOM 587 C THR A 44 50.702 13.291 -16.864 1.00 24.54 C ATOM 588 O THR A 44 51.229 13.220 -15.746 1.00 15.32 O ATOM 589 CB THR A 44 51.264 12.318 -19.137 1.00 44.44 C ATOM 590 OG1 THR A 44 49.938 12.459 -19.673 1.00 11.31 O ATOM 591 CG2 THR A 44 51.395 10.951 -18.483 1.00 62.13 C ATOM 0 H THR A 44 53.196 13.024 -16.896 1.00 11.01 H new ATOM 0 HA THR A 44 51.306 14.404 -18.604 1.00 15.31 H new ATOM 0 HB THR A 44 51.996 12.394 -19.941 1.00 44.44 H new ATOM 0 HG1 THR A 44 49.765 11.736 -20.312 1.00 11.31 H new ATOM 0 HG21 THR A 44 51.183 10.174 -19.218 1.00 62.13 H new ATOM 0 HG22 THR A 44 52.409 10.825 -18.104 1.00 62.13 H new ATOM 0 HG23 THR A 44 50.687 10.873 -17.658 1.00 62.13 H new ATOM 599 N LEU A 45 49.405 13.211 -17.049 1.00 40.22 N ATOM 600 CA LEU A 45 48.473 13.091 -15.948 1.00 2.54 C ATOM 601 C LEU A 45 47.206 12.418 -16.449 1.00 21.42 C ATOM 602 O LEU A 45 46.722 12.725 -17.540 1.00 21.01 O ATOM 603 CB LEU A 45 48.166 14.504 -15.377 1.00 3.21 C ATOM 604 CG LEU A 45 47.414 14.594 -14.024 1.00 1.41 C ATOM 605 CD1 LEU A 45 45.940 14.249 -14.170 1.00 22.04 C ATOM 606 CD2 LEU A 45 48.070 13.705 -12.980 1.00 43.01 C ATOM 0 H LEU A 45 48.964 13.227 -17.968 1.00 40.22 H new ATOM 0 HA LEU A 45 48.901 12.485 -15.150 1.00 2.54 H new ATOM 0 HB2 LEU A 45 49.113 15.034 -15.269 1.00 3.21 H new ATOM 0 HB3 LEU A 45 47.581 15.045 -16.121 1.00 3.21 H new ATOM 0 HG LEU A 45 47.477 15.629 -13.689 1.00 1.41 H new ATOM 0 HD11 LEU A 45 45.451 14.324 -13.199 1.00 22.04 H new ATOM 0 HD12 LEU A 45 45.471 14.943 -14.867 1.00 22.04 H new ATOM 0 HD13 LEU A 45 45.840 13.232 -14.548 1.00 22.04 H new ATOM 0 HD21 LEU A 45 47.525 13.785 -12.040 1.00 43.01 H new ATOM 0 HD22 LEU A 45 48.054 12.670 -13.322 1.00 43.01 H new ATOM 0 HD23 LEU A 45 49.102 14.022 -12.829 1.00 43.01 H new ATOM 618 N SER A 46 46.686 11.497 -15.665 1.00 45.42 N ATOM 619 CA SER A 46 45.478 10.787 -16.017 1.00 32.32 C ATOM 620 C SER A 46 44.878 10.148 -14.773 1.00 74.53 C ATOM 621 O SER A 46 45.470 9.248 -14.172 1.00 22.52 O ATOM 622 CB SER A 46 45.773 9.717 -17.078 1.00 12.41 C ATOM 623 OG SER A 46 44.575 9.155 -17.593 1.00 34.42 O ATOM 0 H SER A 46 47.088 11.221 -14.769 1.00 45.42 H new ATOM 0 HA SER A 46 44.761 11.494 -16.435 1.00 32.32 H new ATOM 0 HB2 SER A 46 46.349 10.158 -17.892 1.00 12.41 H new ATOM 0 HB3 SER A 46 46.388 8.930 -16.642 1.00 12.41 H new ATOM 0 HG SER A 46 44.794 8.479 -18.267 1.00 34.42 H new ATOM 629 N SER A 47 43.720 10.630 -14.376 1.00 43.21 N ATOM 630 CA SER A 47 43.059 10.123 -13.202 1.00 4.52 C ATOM 631 C SER A 47 41.700 9.529 -13.562 1.00 72.43 C ATOM 632 O SER A 47 40.997 10.032 -14.448 1.00 15.43 O ATOM 633 CB SER A 47 42.902 11.237 -12.159 1.00 3.04 C ATOM 634 OG SER A 47 42.437 10.719 -10.917 1.00 61.11 O ATOM 0 H SER A 47 43.218 11.377 -14.855 1.00 43.21 H new ATOM 0 HA SER A 47 43.673 9.330 -12.775 1.00 4.52 H new ATOM 0 HB2 SER A 47 43.859 11.738 -12.012 1.00 3.04 H new ATOM 0 HB3 SER A 47 42.203 11.988 -12.527 1.00 3.04 H new ATOM 0 HG SER A 47 42.348 11.450 -10.271 1.00 61.11 H new ATOM 640 N ALA A 48 41.344 8.467 -12.867 1.00 41.23 N ATOM 641 CA ALA A 48 40.084 7.768 -13.070 1.00 32.05 C ATOM 642 C ALA A 48 39.750 6.967 -11.822 1.00 21.42 C ATOM 643 O ALA A 48 39.071 5.942 -11.873 1.00 31.14 O ATOM 644 CB ALA A 48 40.188 6.844 -14.279 1.00 41.41 C ATOM 0 H ALA A 48 41.926 8.058 -12.136 1.00 41.23 H new ATOM 0 HA ALA A 48 39.291 8.492 -13.256 1.00 32.05 H new ATOM 0 HB1 ALA A 48 39.240 6.325 -14.423 1.00 41.41 H new ATOM 0 HB2 ALA A 48 40.419 7.432 -15.167 1.00 41.41 H new ATOM 0 HB3 ALA A 48 40.980 6.114 -14.112 1.00 41.41 H new ATOM 650 N THR A 49 40.222 7.454 -10.694 1.00 3.41 N ATOM 651 CA THR A 49 40.017 6.798 -9.425 1.00 42.11 C ATOM 652 C THR A 49 39.896 7.858 -8.332 1.00 23.41 C ATOM 653 O THR A 49 40.229 9.020 -8.572 1.00 11.12 O ATOM 654 CB THR A 49 41.199 5.852 -9.105 1.00 1.50 C ATOM 655 OG1 THR A 49 41.600 5.158 -10.301 1.00 4.23 O ATOM 656 CG2 THR A 49 40.807 4.827 -8.053 1.00 53.10 C ATOM 0 H THR A 49 40.760 8.319 -10.634 1.00 3.41 H new ATOM 0 HA THR A 49 39.104 6.205 -9.473 1.00 42.11 H new ATOM 0 HB THR A 49 42.022 6.456 -8.722 1.00 1.50 H new ATOM 0 HG1 THR A 49 42.350 4.561 -10.097 1.00 4.23 H new ATOM 0 HG21 THR A 49 41.656 4.175 -7.847 1.00 53.10 H new ATOM 0 HG22 THR A 49 40.512 5.340 -7.137 1.00 53.10 H new ATOM 0 HG23 THR A 49 39.972 4.230 -8.420 1.00 53.10 H new ATOM 664 N ALA A 50 39.386 7.456 -7.156 1.00 12.40 N ATOM 665 CA ALA A 50 39.184 8.357 -6.011 1.00 55.42 C ATOM 666 C ALA A 50 37.976 9.248 -6.245 1.00 72.13 C ATOM 667 O ALA A 50 37.750 10.225 -5.527 1.00 31.23 O ATOM 668 CB ALA A 50 40.435 9.187 -5.709 1.00 60.50 C ATOM 0 H ALA A 50 39.102 6.494 -6.973 1.00 12.40 H new ATOM 0 HA ALA A 50 38.994 7.740 -5.132 1.00 55.42 H new ATOM 0 HB1 ALA A 50 40.242 9.839 -4.857 1.00 60.50 H new ATOM 0 HB2 ALA A 50 41.266 8.521 -5.476 1.00 60.50 H new ATOM 0 HB3 ALA A 50 40.688 9.793 -6.579 1.00 60.50 H new ATOM 674 N GLN A 51 37.202 8.894 -7.252 1.00 33.51 N ATOM 675 CA GLN A 51 36.012 9.629 -7.614 1.00 45.40 C ATOM 676 C GLN A 51 34.828 9.146 -6.791 1.00 34.13 C ATOM 677 O GLN A 51 34.449 7.973 -6.872 1.00 31.52 O ATOM 678 CB GLN A 51 35.718 9.450 -9.102 1.00 73.03 C ATOM 679 CG GLN A 51 36.842 9.917 -10.011 1.00 72.22 C ATOM 680 CD GLN A 51 36.545 9.664 -11.473 1.00 14.43 C ATOM 681 OE1 GLN A 51 36.874 8.609 -12.012 1.00 55.33 O ATOM 682 NE2 GLN A 51 35.920 10.626 -12.121 1.00 4.30 N ATOM 0 H GLN A 51 37.384 8.083 -7.844 1.00 33.51 H new ATOM 0 HA GLN A 51 36.177 10.687 -7.409 1.00 45.40 H new ATOM 0 HB2 GLN A 51 35.518 8.397 -9.299 1.00 73.03 H new ATOM 0 HB3 GLN A 51 34.810 9.999 -9.352 1.00 73.03 H new ATOM 0 HG2 GLN A 51 37.011 10.983 -9.857 1.00 72.22 H new ATOM 0 HG3 GLN A 51 37.764 9.405 -9.737 1.00 72.22 H new ATOM 0 HE21 GLN A 51 35.665 11.486 -11.635 1.00 4.30 H new ATOM 0 HE22 GLN A 51 35.691 10.511 -13.108 1.00 4.30 H new ATOM 691 N PRO A 52 34.237 10.027 -5.976 1.00 52.52 N ATOM 692 CA PRO A 52 33.079 9.681 -5.158 1.00 72.23 C ATOM 693 C PRO A 52 31.904 9.243 -6.019 1.00 43.33 C ATOM 694 O PRO A 52 31.578 9.891 -7.019 1.00 51.11 O ATOM 695 CB PRO A 52 32.741 10.987 -4.427 1.00 35.22 C ATOM 696 CG PRO A 52 33.987 11.795 -4.494 1.00 52.55 C ATOM 697 CD PRO A 52 34.652 11.424 -5.782 1.00 20.43 C ATOM 0 HA PRO A 52 33.286 8.850 -4.483 1.00 72.23 H new ATOM 0 HB2 PRO A 52 31.909 11.504 -4.905 1.00 35.22 H new ATOM 0 HB3 PRO A 52 32.448 10.798 -3.394 1.00 35.22 H new ATOM 0 HG2 PRO A 52 33.762 12.861 -4.464 1.00 52.55 H new ATOM 0 HG3 PRO A 52 34.636 11.582 -3.645 1.00 52.55 H new ATOM 0 HD2 PRO A 52 34.324 12.061 -6.604 1.00 20.43 H new ATOM 0 HD3 PRO A 52 35.736 11.518 -5.719 1.00 20.43 H new ATOM 705 N LEU A 53 31.291 8.140 -5.648 1.00 21.55 N ATOM 706 CA LEU A 53 30.151 7.614 -6.369 1.00 43.52 C ATOM 707 C LEU A 53 28.863 8.025 -5.665 1.00 63.24 C ATOM 708 O LEU A 53 28.515 7.466 -4.619 1.00 54.32 O ATOM 709 CB LEU A 53 30.240 6.087 -6.461 1.00 64.45 C ATOM 710 CG LEU A 53 31.472 5.535 -7.184 1.00 43.43 C ATOM 711 CD1 LEU A 53 31.509 4.020 -7.089 1.00 71.13 C ATOM 712 CD2 LEU A 53 31.486 5.979 -8.642 1.00 73.41 C ATOM 0 H LEU A 53 31.568 7.583 -4.840 1.00 21.55 H new ATOM 0 HA LEU A 53 30.150 8.022 -7.380 1.00 43.52 H new ATOM 0 HB2 LEU A 53 30.222 5.679 -5.450 1.00 64.45 H new ATOM 0 HB3 LEU A 53 29.348 5.720 -6.969 1.00 64.45 H new ATOM 0 HG LEU A 53 32.362 5.934 -6.697 1.00 43.43 H new ATOM 0 HD11 LEU A 53 32.391 3.644 -7.608 1.00 71.13 H new ATOM 0 HD12 LEU A 53 31.550 3.722 -6.041 1.00 71.13 H new ATOM 0 HD13 LEU A 53 30.613 3.605 -7.549 1.00 71.13 H new ATOM 0 HD21 LEU A 53 32.370 5.576 -9.137 1.00 73.41 H new ATOM 0 HD22 LEU A 53 30.590 5.612 -9.143 1.00 73.41 H new ATOM 0 HD23 LEU A 53 31.508 7.068 -8.691 1.00 73.41 H new ATOM 724 N PRO A 54 28.156 9.024 -6.207 1.00 1.32 N ATOM 725 CA PRO A 54 26.921 9.524 -5.619 1.00 50.55 C ATOM 726 C PRO A 54 25.732 8.607 -5.895 1.00 41.14 C ATOM 727 O PRO A 54 25.865 7.588 -6.588 1.00 43.25 O ATOM 728 CB PRO A 54 26.714 10.890 -6.303 1.00 22.14 C ATOM 729 CG PRO A 54 27.918 11.104 -7.167 1.00 42.53 C ATOM 730 CD PRO A 54 28.493 9.749 -7.429 1.00 72.31 C ATOM 0 HA PRO A 54 26.990 9.585 -4.533 1.00 50.55 H new ATOM 0 HB2 PRO A 54 25.801 10.894 -6.898 1.00 22.14 H new ATOM 0 HB3 PRO A 54 26.617 11.686 -5.564 1.00 22.14 H new ATOM 0 HG2 PRO A 54 27.644 11.597 -8.100 1.00 42.53 H new ATOM 0 HG3 PRO A 54 28.645 11.745 -6.669 1.00 42.53 H new ATOM 0 HD2 PRO A 54 28.053 9.285 -8.311 1.00 72.31 H new ATOM 0 HD3 PRO A 54 29.570 9.789 -7.594 1.00 72.31 H new ATOM 738 N VAL A 55 24.575 8.994 -5.360 1.00 55.44 N ATOM 739 CA VAL A 55 23.327 8.244 -5.503 1.00 21.11 C ATOM 740 C VAL A 55 23.380 6.924 -4.742 1.00 0.32 C ATOM 741 O VAL A 55 24.072 5.984 -5.140 1.00 43.24 O ATOM 742 CB VAL A 55 22.949 7.980 -6.984 1.00 24.10 C ATOM 743 CG1 VAL A 55 21.624 7.233 -7.069 1.00 33.24 C ATOM 744 CG2 VAL A 55 22.874 9.286 -7.759 1.00 60.31 C ATOM 0 H VAL A 55 24.476 9.847 -4.809 1.00 55.44 H new ATOM 0 HA VAL A 55 22.550 8.875 -5.071 1.00 21.11 H new ATOM 0 HB VAL A 55 23.726 7.360 -7.432 1.00 24.10 H new ATOM 0 HG11 VAL A 55 21.373 7.055 -8.115 1.00 33.24 H new ATOM 0 HG12 VAL A 55 21.710 6.279 -6.549 1.00 33.24 H new ATOM 0 HG13 VAL A 55 20.839 7.830 -6.604 1.00 33.24 H new ATOM 0 HG21 VAL A 55 22.608 9.079 -8.796 1.00 60.31 H new ATOM 0 HG22 VAL A 55 22.118 9.932 -7.312 1.00 60.31 H new ATOM 0 HG23 VAL A 55 23.843 9.785 -7.726 1.00 60.31 H new ATOM 754 N ALA A 56 22.644 6.862 -3.650 1.00 34.35 N ATOM 755 CA ALA A 56 22.598 5.674 -2.814 1.00 53.10 C ATOM 756 C ALA A 56 21.415 5.735 -1.863 1.00 22.53 C ATOM 757 O ALA A 56 21.390 5.056 -0.837 1.00 51.43 O ATOM 758 CB ALA A 56 23.896 5.542 -2.027 1.00 24.13 C ATOM 0 H ALA A 56 22.062 7.630 -3.316 1.00 34.35 H new ATOM 0 HA ALA A 56 22.479 4.801 -3.456 1.00 53.10 H new ATOM 0 HB1 ALA A 56 23.854 4.649 -1.403 1.00 24.13 H new ATOM 0 HB2 ALA A 56 24.734 5.462 -2.719 1.00 24.13 H new ATOM 0 HB3 ALA A 56 24.030 6.420 -1.395 1.00 24.13 H new ATOM 764 N SER A 57 20.425 6.539 -2.211 1.00 3.21 N ATOM 765 CA SER A 57 19.241 6.697 -1.386 1.00 11.43 C ATOM 766 C SER A 57 18.061 7.177 -2.218 1.00 50.42 C ATOM 767 O SER A 57 18.139 8.207 -2.886 1.00 70.22 O ATOM 768 CB SER A 57 19.510 7.682 -0.242 1.00 11.32 C ATOM 769 OG SER A 57 20.525 7.193 0.621 1.00 23.41 O ATOM 0 H SER A 57 20.419 7.096 -3.066 1.00 3.21 H new ATOM 0 HA SER A 57 18.994 5.723 -0.963 1.00 11.43 H new ATOM 0 HB2 SER A 57 19.809 8.647 -0.651 1.00 11.32 H new ATOM 0 HB3 SER A 57 18.593 7.846 0.325 1.00 11.32 H new ATOM 0 HG SER A 57 20.680 7.838 1.342 1.00 23.41 H new ATOM 775 N ALA A 58 16.983 6.416 -2.190 1.00 3.21 N ATOM 776 CA ALA A 58 15.782 6.776 -2.916 1.00 24.03 C ATOM 777 C ALA A 58 15.113 7.985 -2.268 1.00 73.34 C ATOM 778 O ALA A 58 14.864 7.989 -1.060 1.00 10.34 O ATOM 779 CB ALA A 58 14.820 5.596 -2.971 1.00 21.34 C ATOM 0 H ALA A 58 16.916 5.541 -1.670 1.00 3.21 H new ATOM 0 HA ALA A 58 16.058 7.041 -3.937 1.00 24.03 H new ATOM 0 HB1 ALA A 58 13.923 5.883 -3.520 1.00 21.34 H new ATOM 0 HB2 ALA A 58 15.301 4.758 -3.475 1.00 21.34 H new ATOM 0 HB3 ALA A 58 14.547 5.302 -1.958 1.00 21.34 H new ATOM 785 N PRO A 59 14.839 9.033 -3.054 1.00 2.33 N ATOM 786 CA PRO A 59 14.195 10.246 -2.552 1.00 63.32 C ATOM 787 C PRO A 59 12.698 10.041 -2.329 1.00 53.11 C ATOM 788 O PRO A 59 12.159 8.963 -2.605 1.00 3.11 O ATOM 789 CB PRO A 59 14.436 11.257 -3.674 1.00 41.54 C ATOM 790 CG PRO A 59 14.519 10.431 -4.910 1.00 53.13 C ATOM 791 CD PRO A 59 15.139 9.122 -4.499 1.00 25.13 C ATOM 0 HA PRO A 59 14.591 10.560 -1.586 1.00 63.32 H new ATOM 0 HB2 PRO A 59 13.625 11.982 -3.735 1.00 41.54 H new ATOM 0 HB3 PRO A 59 15.355 11.820 -3.510 1.00 41.54 H new ATOM 0 HG2 PRO A 59 13.530 10.275 -5.341 1.00 53.13 H new ATOM 0 HG3 PRO A 59 15.123 10.927 -5.670 1.00 53.13 H new ATOM 0 HD2 PRO A 59 14.710 8.285 -5.050 1.00 25.13 H new ATOM 0 HD3 PRO A 59 16.213 9.110 -4.687 1.00 25.13 H new ATOM 799 N VAL A 60 12.032 11.065 -1.830 1.00 62.11 N ATOM 800 CA VAL A 60 10.603 10.990 -1.593 1.00 65.14 C ATOM 801 C VAL A 60 9.839 11.322 -2.871 1.00 63.54 C ATOM 802 O VAL A 60 10.431 11.750 -3.868 1.00 4.44 O ATOM 803 CB VAL A 60 10.151 11.940 -0.451 1.00 32.54 C ATOM 804 CG1 VAL A 60 10.836 11.569 0.855 1.00 21.33 C ATOM 805 CG2 VAL A 60 10.432 13.394 -0.808 1.00 15.04 C ATOM 0 H VAL A 60 12.457 11.958 -1.581 1.00 62.11 H new ATOM 0 HA VAL A 60 10.379 9.969 -1.285 1.00 65.14 H new ATOM 0 HB VAL A 60 9.075 11.825 -0.322 1.00 32.54 H new ATOM 0 HG11 VAL A 60 10.507 12.246 1.644 1.00 21.33 H new ATOM 0 HG12 VAL A 60 10.577 10.545 1.124 1.00 21.33 H new ATOM 0 HG13 VAL A 60 11.916 11.650 0.735 1.00 21.33 H new ATOM 0 HG21 VAL A 60 10.106 14.039 0.008 1.00 15.04 H new ATOM 0 HG22 VAL A 60 11.501 13.528 -0.972 1.00 15.04 H new ATOM 0 HG23 VAL A 60 9.890 13.657 -1.716 1.00 15.04 H new ATOM 815 N LEU A 61 8.540 11.135 -2.841 1.00 51.45 N ATOM 816 CA LEU A 61 7.723 11.390 -4.003 1.00 13.24 C ATOM 817 C LEU A 61 7.277 12.842 -4.033 1.00 62.21 C ATOM 818 O LEU A 61 6.276 13.215 -3.419 1.00 22.04 O ATOM 819 CB LEU A 61 6.512 10.447 -4.026 1.00 72.41 C ATOM 820 CG LEU A 61 5.552 10.605 -5.210 1.00 33.23 C ATOM 821 CD1 LEU A 61 6.278 10.392 -6.528 1.00 4.10 C ATOM 822 CD2 LEU A 61 4.392 9.634 -5.081 1.00 44.24 C ATOM 0 H LEU A 61 8.026 10.807 -2.023 1.00 51.45 H new ATOM 0 HA LEU A 61 8.321 11.199 -4.894 1.00 13.24 H new ATOM 0 HB2 LEU A 61 6.878 9.420 -4.016 1.00 72.41 H new ATOM 0 HB3 LEU A 61 5.947 10.593 -3.105 1.00 72.41 H new ATOM 0 HG LEU A 61 5.160 11.622 -5.199 1.00 33.23 H new ATOM 0 HD11 LEU A 61 5.576 10.509 -7.353 1.00 4.10 H new ATOM 0 HD12 LEU A 61 7.078 11.126 -6.625 1.00 4.10 H new ATOM 0 HD13 LEU A 61 6.702 9.388 -6.552 1.00 4.10 H new ATOM 0 HD21 LEU A 61 3.718 9.757 -5.929 1.00 44.24 H new ATOM 0 HD22 LEU A 61 4.772 8.613 -5.066 1.00 44.24 H new ATOM 0 HD23 LEU A 61 3.851 9.834 -4.156 1.00 44.24 H new ATOM 834 N SER A 62 8.044 13.662 -4.723 1.00 14.45 N ATOM 835 CA SER A 62 7.733 15.067 -4.854 1.00 32.14 C ATOM 836 C SER A 62 7.810 15.499 -6.313 1.00 73.31 C ATOM 837 O SER A 62 8.828 16.010 -6.771 1.00 70.33 O ATOM 838 CB SER A 62 8.679 15.913 -3.997 1.00 0.05 C ATOM 839 OG SER A 62 8.611 15.531 -2.632 1.00 34.33 O ATOM 0 H SER A 62 8.895 13.373 -5.205 1.00 14.45 H new ATOM 0 HA SER A 62 6.714 15.224 -4.500 1.00 32.14 H new ATOM 0 HB2 SER A 62 9.701 15.801 -4.359 1.00 0.05 H new ATOM 0 HB3 SER A 62 8.420 16.967 -4.096 1.00 0.05 H new ATOM 0 HG SER A 62 9.225 16.085 -2.106 1.00 34.33 H new ATOM 845 N ALA A 63 6.740 15.260 -7.038 1.00 24.14 N ATOM 846 CA ALA A 63 6.656 15.627 -8.439 1.00 22.21 C ATOM 847 C ALA A 63 5.298 16.271 -8.700 1.00 40.14 C ATOM 848 O ALA A 63 4.413 16.191 -7.844 1.00 22.02 O ATOM 849 CB ALA A 63 6.862 14.388 -9.316 1.00 52.35 C ATOM 0 H ALA A 63 5.902 14.806 -6.675 1.00 24.14 H new ATOM 0 HA ALA A 63 7.438 16.344 -8.688 1.00 22.21 H new ATOM 0 HB1 ALA A 63 6.798 14.671 -10.367 1.00 52.35 H new ATOM 0 HB2 ALA A 63 7.844 13.959 -9.115 1.00 52.35 H new ATOM 0 HB3 ALA A 63 6.091 13.651 -9.091 1.00 52.35 H new ATOM 855 N PRO A 64 5.111 16.952 -9.854 1.00 51.04 N ATOM 856 CA PRO A 64 3.830 17.587 -10.190 1.00 12.31 C ATOM 857 C PRO A 64 2.666 16.600 -10.096 1.00 21.12 C ATOM 858 O PRO A 64 2.707 15.514 -10.687 1.00 71.14 O ATOM 859 CB PRO A 64 4.027 18.050 -11.637 1.00 30.55 C ATOM 860 CG PRO A 64 5.498 18.234 -11.771 1.00 50.35 C ATOM 861 CD PRO A 64 6.126 17.176 -10.907 1.00 65.42 C ATOM 0 HA PRO A 64 3.580 18.398 -9.506 1.00 12.31 H new ATOM 0 HB2 PRO A 64 3.653 17.310 -12.345 1.00 30.55 H new ATOM 0 HB3 PRO A 64 3.491 18.979 -11.833 1.00 30.55 H new ATOM 0 HG2 PRO A 64 5.812 18.127 -12.809 1.00 50.35 H new ATOM 0 HG3 PRO A 64 5.798 19.231 -11.448 1.00 50.35 H new ATOM 0 HD2 PRO A 64 6.330 16.265 -11.470 1.00 65.42 H new ATOM 0 HD3 PRO A 64 7.075 17.510 -10.487 1.00 65.42 H new ATOM 869 N LEU A 65 1.630 16.983 -9.373 1.00 73.20 N ATOM 870 CA LEU A 65 0.492 16.110 -9.149 1.00 50.11 C ATOM 871 C LEU A 65 -0.303 15.927 -10.427 1.00 70.34 C ATOM 872 O LEU A 65 -0.957 16.856 -10.907 1.00 54.44 O ATOM 873 CB LEU A 65 -0.420 16.651 -8.029 1.00 34.44 C ATOM 874 CG LEU A 65 0.170 16.677 -6.604 1.00 71.41 C ATOM 875 CD1 LEU A 65 0.818 15.349 -6.254 1.00 2.31 C ATOM 876 CD2 LEU A 65 1.156 17.825 -6.430 1.00 53.03 C ATOM 0 H LEU A 65 1.553 17.898 -8.929 1.00 73.20 H new ATOM 0 HA LEU A 65 0.879 15.141 -8.833 1.00 50.11 H new ATOM 0 HB2 LEU A 65 -0.716 17.666 -8.293 1.00 34.44 H new ATOM 0 HB3 LEU A 65 -1.328 16.049 -8.010 1.00 34.44 H new ATOM 0 HG LEU A 65 -0.656 16.842 -5.912 1.00 71.41 H new ATOM 0 HD11 LEU A 65 1.225 15.398 -5.244 1.00 2.31 H new ATOM 0 HD12 LEU A 65 0.073 14.555 -6.307 1.00 2.31 H new ATOM 0 HD13 LEU A 65 1.622 15.139 -6.959 1.00 2.31 H new ATOM 0 HD21 LEU A 65 1.552 17.813 -5.415 1.00 53.03 H new ATOM 0 HD22 LEU A 65 1.975 17.712 -7.141 1.00 53.03 H new ATOM 0 HD23 LEU A 65 0.647 18.772 -6.610 1.00 53.03 H new ATOM 888 N GLY A 66 -0.219 14.735 -10.985 1.00 73.22 N ATOM 889 CA GLY A 66 -0.929 14.433 -12.205 1.00 3.21 C ATOM 890 C GLY A 66 0.012 14.060 -13.323 1.00 1.22 C ATOM 891 O GLY A 66 -0.384 13.390 -14.281 1.00 13.42 O ATOM 0 H GLY A 66 0.334 13.963 -10.611 1.00 73.22 H new ATOM 0 HA2 GLY A 66 -1.625 13.613 -12.027 1.00 3.21 H new ATOM 0 HA3 GLY A 66 -1.523 15.297 -12.503 1.00 3.21 H new ATOM 895 N SER A 67 1.264 14.499 -13.207 1.00 13.53 N ATOM 896 CA SER A 67 2.273 14.211 -14.215 1.00 22.24 C ATOM 897 C SER A 67 2.501 12.708 -14.352 1.00 41.35 C ATOM 898 O SER A 67 2.299 11.945 -13.393 1.00 1.11 O ATOM 899 CB SER A 67 3.593 14.918 -13.884 1.00 4.41 C ATOM 900 OG SER A 67 4.135 14.455 -12.657 1.00 12.04 O ATOM 0 H SER A 67 1.601 15.056 -12.422 1.00 13.53 H new ATOM 0 HA SER A 67 1.904 14.590 -15.168 1.00 22.24 H new ATOM 0 HB2 SER A 67 4.310 14.748 -14.687 1.00 4.41 H new ATOM 0 HB3 SER A 67 3.427 15.994 -13.827 1.00 4.41 H new ATOM 0 HG SER A 67 3.499 14.629 -11.932 1.00 12.04 H new ATOM 906 N HIS A 68 2.919 12.286 -15.533 1.00 23.30 N ATOM 907 CA HIS A 68 3.196 10.883 -15.781 1.00 22.53 C ATOM 908 C HIS A 68 4.363 10.413 -14.928 1.00 11.13 C ATOM 909 O HIS A 68 4.350 9.308 -14.407 1.00 40.44 O ATOM 910 CB HIS A 68 3.481 10.629 -17.266 1.00 72.43 C ATOM 911 CG HIS A 68 2.276 10.776 -18.142 1.00 72.41 C ATOM 912 ND1 HIS A 68 1.122 10.074 -18.178 1.00 24.44 N flip ATOM 913 CD2 HIS A 68 2.165 11.732 -19.128 1.00 24.04 C flip ATOM 914 CE1 HIS A 68 0.347 10.611 -19.169 1.00 33.13 C flip ATOM 915 NE2 HIS A 68 0.998 11.610 -19.727 1.00 24.13 N flip ATOM 0 H HIS A 68 3.074 12.896 -16.336 1.00 23.30 H new ATOM 0 HA HIS A 68 2.309 10.311 -15.506 1.00 22.53 H new ATOM 0 HB2 HIS A 68 4.251 11.322 -17.603 1.00 72.43 H new ATOM 0 HB3 HIS A 68 3.884 9.623 -17.383 1.00 72.43 H new ATOM 0 HD2 HIS A 68 2.918 12.467 -19.372 1.00 24.04 H new ATOM 0 HE1 HIS A 68 -0.639 10.271 -19.448 1.00 33.13 H new ATOM 0 HE2 HIS A 68 0.657 12.191 -20.493 1.00 24.13 H new ATOM 924 N GLU A 69 5.357 11.275 -14.773 1.00 24.44 N ATOM 925 CA GLU A 69 6.530 10.960 -13.971 1.00 70.41 C ATOM 926 C GLU A 69 6.141 10.661 -12.526 1.00 62.44 C ATOM 927 O GLU A 69 6.679 9.741 -11.909 1.00 45.01 O ATOM 928 CB GLU A 69 7.545 12.099 -14.014 1.00 33.13 C ATOM 929 CG GLU A 69 8.859 11.763 -13.326 1.00 43.32 C ATOM 930 CD GLU A 69 9.846 12.900 -13.365 1.00 44.43 C ATOM 931 OE1 GLU A 69 10.382 13.189 -14.452 1.00 52.01 O ATOM 932 OE2 GLU A 69 10.102 13.505 -12.306 1.00 75.31 O ATOM 0 H GLU A 69 5.374 12.204 -15.195 1.00 24.44 H new ATOM 0 HA GLU A 69 6.990 10.069 -14.398 1.00 70.41 H new ATOM 0 HB2 GLU A 69 7.744 12.360 -15.054 1.00 33.13 H new ATOM 0 HB3 GLU A 69 7.111 12.980 -13.542 1.00 33.13 H new ATOM 0 HG2 GLU A 69 8.662 11.494 -12.288 1.00 43.32 H new ATOM 0 HG3 GLU A 69 9.300 10.888 -13.803 1.00 43.32 H new ATOM 939 N TRP A 70 5.195 11.426 -11.996 1.00 42.25 N ATOM 940 CA TRP A 70 4.741 11.230 -10.628 1.00 74.13 C ATOM 941 C TRP A 70 4.062 9.877 -10.481 1.00 2.23 C ATOM 942 O TRP A 70 4.436 9.086 -9.617 1.00 12.12 O ATOM 943 CB TRP A 70 3.759 12.353 -10.244 1.00 45.22 C ATOM 944 CG TRP A 70 3.292 12.314 -8.814 1.00 2.35 C ATOM 945 CD1 TRP A 70 3.814 13.012 -7.767 1.00 12.33 C ATOM 946 CD2 TRP A 70 2.206 11.544 -8.278 1.00 43.01 C ATOM 947 NE1 TRP A 70 3.129 12.723 -6.619 1.00 11.55 N ATOM 948 CE2 TRP A 70 2.139 11.824 -6.903 1.00 41.43 C ATOM 949 CE3 TRP A 70 1.289 10.644 -8.825 1.00 0.21 C ATOM 950 CZ2 TRP A 70 1.194 11.238 -6.069 1.00 23.21 C ATOM 951 CZ3 TRP A 70 0.353 10.063 -7.997 1.00 33.12 C ATOM 952 CH2 TRP A 70 0.311 10.362 -6.635 1.00 23.12 C ATOM 0 H TRP A 70 4.729 12.186 -12.492 1.00 42.25 H new ATOM 0 HA TRP A 70 5.604 11.259 -9.963 1.00 74.13 H new ATOM 0 HB2 TRP A 70 4.236 13.315 -10.431 1.00 45.22 H new ATOM 0 HB3 TRP A 70 2.889 12.297 -10.898 1.00 45.22 H new ATOM 0 HD1 TRP A 70 4.648 13.695 -7.834 1.00 12.33 H new ATOM 0 HE1 TRP A 70 3.325 13.115 -5.698 1.00 11.55 H new ATOM 0 HE3 TRP A 70 1.313 10.407 -9.878 1.00 0.21 H new ATOM 0 HZ2 TRP A 70 1.159 11.466 -5.014 1.00 23.21 H new ATOM 0 HZ3 TRP A 70 -0.360 9.364 -8.409 1.00 33.12 H new ATOM 0 HH2 TRP A 70 -0.436 9.891 -6.014 1.00 23.12 H new ATOM 963 N GLN A 71 3.088 9.604 -11.333 1.00 52.30 N ATOM 964 CA GLN A 71 2.369 8.342 -11.256 1.00 74.23 C ATOM 965 C GLN A 71 3.294 7.147 -11.507 1.00 3.05 C ATOM 966 O GLN A 71 3.186 6.130 -10.829 1.00 45.42 O ATOM 967 CB GLN A 71 1.149 8.321 -12.178 1.00 2.43 C ATOM 968 CG GLN A 71 1.447 8.547 -13.640 1.00 12.43 C ATOM 969 CD GLN A 71 0.186 8.641 -14.470 1.00 75.21 C ATOM 970 OE1 GLN A 71 -0.879 9.133 -13.869 1.00 73.51 O flip ATOM 971 NE2 GLN A 71 0.169 8.272 -15.641 1.00 43.31 N flip ATOM 0 H GLN A 71 2.779 10.230 -12.077 1.00 52.30 H new ATOM 0 HA GLN A 71 1.995 8.250 -10.236 1.00 74.23 H new ATOM 0 HB2 GLN A 71 0.648 7.359 -12.070 1.00 2.43 H new ATOM 0 HB3 GLN A 71 0.447 9.085 -11.844 1.00 2.43 H new ATOM 0 HG2 GLN A 71 2.025 9.464 -13.754 1.00 12.43 H new ATOM 0 HG3 GLN A 71 2.066 7.732 -14.014 1.00 12.43 H new ATOM 0 HE21 GLN A 71 1.015 7.897 -16.070 1.00 43.31 H new ATOM 0 HE22 GLN A 71 -0.691 8.341 -16.185 1.00 43.31 H new ATOM 980 N GLN A 72 4.197 7.270 -12.484 1.00 71.34 N ATOM 981 CA GLN A 72 5.177 6.215 -12.755 1.00 15.50 C ATOM 982 C GLN A 72 6.077 5.960 -11.551 1.00 14.14 C ATOM 983 O GLN A 72 6.468 4.827 -11.292 1.00 22.12 O ATOM 984 CB GLN A 72 6.013 6.539 -13.994 1.00 72.50 C ATOM 985 CG GLN A 72 5.213 6.524 -15.288 1.00 23.24 C ATOM 986 CD GLN A 72 6.063 6.804 -16.504 1.00 24.40 C ATOM 987 OE1 GLN A 72 6.236 7.957 -16.909 1.00 54.00 O ATOM 988 NE2 GLN A 72 6.592 5.759 -17.103 1.00 2.34 N ATOM 0 H GLN A 72 4.270 8.083 -13.096 1.00 71.34 H new ATOM 0 HA GLN A 72 4.617 5.301 -12.952 1.00 15.50 H new ATOM 0 HB2 GLN A 72 6.468 7.522 -13.869 1.00 72.50 H new ATOM 0 HB3 GLN A 72 6.827 5.819 -14.071 1.00 72.50 H new ATOM 0 HG2 GLN A 72 4.733 5.552 -15.402 1.00 23.24 H new ATOM 0 HG3 GLN A 72 4.418 7.267 -15.227 1.00 23.24 H new ATOM 0 HE21 GLN A 72 6.425 4.822 -16.736 1.00 2.34 H new ATOM 0 HE22 GLN A 72 7.169 5.886 -17.934 1.00 2.34 H new ATOM 997 N THR A 73 6.421 7.011 -10.828 1.00 75.41 N ATOM 998 CA THR A 73 7.212 6.858 -9.618 1.00 41.34 C ATOM 999 C THR A 73 6.357 6.212 -8.526 1.00 1.24 C ATOM 1000 O THR A 73 6.809 5.315 -7.806 1.00 60.32 O ATOM 1001 CB THR A 73 7.764 8.214 -9.124 1.00 1.21 C ATOM 1002 OG1 THR A 73 8.478 8.858 -10.193 1.00 54.34 O ATOM 1003 CG2 THR A 73 8.705 8.017 -7.943 1.00 3.14 C ATOM 0 H THR A 73 6.168 7.973 -11.054 1.00 75.41 H new ATOM 0 HA THR A 73 8.064 6.218 -9.848 1.00 41.34 H new ATOM 0 HB THR A 73 6.925 8.833 -8.805 1.00 1.21 H new ATOM 0 HG1 THR A 73 7.870 9.450 -10.683 1.00 54.34 H new ATOM 0 HG21 THR A 73 9.081 8.985 -7.612 1.00 3.14 H new ATOM 0 HG22 THR A 73 8.167 7.538 -7.125 1.00 3.14 H new ATOM 0 HG23 THR A 73 9.541 7.387 -8.245 1.00 3.14 H new ATOM 1011 N PHE A 74 5.112 6.673 -8.430 1.00 72.33 N ATOM 1012 CA PHE A 74 4.147 6.147 -7.478 1.00 12.33 C ATOM 1013 C PHE A 74 3.965 4.638 -7.656 1.00 34.54 C ATOM 1014 O PHE A 74 3.975 3.889 -6.687 1.00 24.44 O ATOM 1015 CB PHE A 74 2.803 6.870 -7.638 1.00 71.21 C ATOM 1016 CG PHE A 74 1.757 6.459 -6.641 1.00 73.03 C ATOM 1017 CD1 PHE A 74 1.756 6.989 -5.362 1.00 32.34 C ATOM 1018 CD2 PHE A 74 0.770 5.548 -6.985 1.00 62.25 C ATOM 1019 CE1 PHE A 74 0.794 6.619 -4.445 1.00 55.33 C ATOM 1020 CE2 PHE A 74 -0.195 5.174 -6.071 1.00 35.14 C ATOM 1021 CZ PHE A 74 -0.182 5.711 -4.800 1.00 2.53 C ATOM 0 H PHE A 74 4.746 7.425 -9.014 1.00 72.33 H new ATOM 0 HA PHE A 74 4.528 6.323 -6.472 1.00 12.33 H new ATOM 0 HB2 PHE A 74 2.969 7.944 -7.551 1.00 71.21 H new ATOM 0 HB3 PHE A 74 2.422 6.686 -8.643 1.00 71.21 H new ATOM 0 HD1 PHE A 74 2.517 7.701 -5.079 1.00 32.34 H new ATOM 0 HD2 PHE A 74 0.756 5.126 -7.979 1.00 62.25 H new ATOM 0 HE1 PHE A 74 0.805 7.040 -3.450 1.00 55.33 H new ATOM 0 HE2 PHE A 74 -0.958 4.463 -6.350 1.00 35.14 H new ATOM 0 HZ PHE A 74 -0.936 5.420 -4.083 1.00 2.53 H new ATOM 1031 N SER A 75 3.796 4.193 -8.892 1.00 40.42 N ATOM 1032 CA SER A 75 3.640 2.776 -9.153 1.00 22.30 C ATOM 1033 C SER A 75 4.908 2.003 -8.779 1.00 11.15 C ATOM 1034 O SER A 75 4.833 0.930 -8.185 1.00 2.25 O ATOM 1035 CB SER A 75 3.255 2.533 -10.616 1.00 13.04 C ATOM 1036 OG SER A 75 4.190 3.118 -11.504 1.00 30.11 O ATOM 0 H SER A 75 3.764 4.788 -9.720 1.00 40.42 H new ATOM 0 HA SER A 75 2.830 2.404 -8.525 1.00 22.30 H new ATOM 0 HB2 SER A 75 3.195 1.461 -10.804 1.00 13.04 H new ATOM 0 HB3 SER A 75 2.264 2.946 -10.806 1.00 13.04 H new ATOM 0 HG SER A 75 4.226 2.595 -12.332 1.00 30.11 H new ATOM 1042 N GLN A 76 6.071 2.572 -9.113 1.00 25.34 N ATOM 1043 CA GLN A 76 7.365 1.950 -8.802 1.00 12.10 C ATOM 1044 C GLN A 76 7.504 1.645 -7.314 1.00 11.32 C ATOM 1045 O GLN A 76 7.848 0.523 -6.934 1.00 34.40 O ATOM 1046 CB GLN A 76 8.520 2.846 -9.248 1.00 61.35 C ATOM 1047 CG GLN A 76 8.742 2.875 -10.745 1.00 5.41 C ATOM 1048 CD GLN A 76 9.803 3.873 -11.151 1.00 10.24 C ATOM 1049 OE1 GLN A 76 9.384 5.087 -11.449 1.00 34.51 O flip ATOM 1050 NE2 GLN A 76 10.989 3.549 -11.204 1.00 61.13 N flip ATOM 0 H GLN A 76 6.144 3.465 -9.600 1.00 25.34 H new ATOM 0 HA GLN A 76 7.405 1.009 -9.351 1.00 12.10 H new ATOM 0 HB2 GLN A 76 8.332 3.862 -8.900 1.00 61.35 H new ATOM 0 HB3 GLN A 76 9.436 2.508 -8.763 1.00 61.35 H new ATOM 0 HG2 GLN A 76 9.032 1.881 -11.086 1.00 5.41 H new ATOM 0 HG3 GLN A 76 7.805 3.122 -11.244 1.00 5.41 H new ATOM 0 HE21 GLN A 76 11.269 2.598 -10.965 1.00 61.13 H new ATOM 0 HE22 GLN A 76 11.692 4.232 -11.487 1.00 61.13 H new ATOM 1059 N GLN A 77 7.242 2.644 -6.475 1.00 3.12 N ATOM 1060 CA GLN A 77 7.357 2.469 -5.029 1.00 33.25 C ATOM 1061 C GLN A 77 6.387 1.401 -4.512 1.00 33.21 C ATOM 1062 O GLN A 77 6.700 0.678 -3.572 1.00 0.24 O ATOM 1063 CB GLN A 77 7.174 3.797 -4.277 1.00 40.32 C ATOM 1064 CG GLN A 77 5.838 4.470 -4.506 1.00 2.53 C ATOM 1065 CD GLN A 77 5.685 5.745 -3.713 1.00 44.15 C ATOM 1066 OE1 GLN A 77 6.045 6.823 -4.172 1.00 34.14 O ATOM 1067 NE2 GLN A 77 5.143 5.631 -2.517 1.00 24.10 N ATOM 0 H GLN A 77 6.951 3.577 -6.768 1.00 3.12 H new ATOM 0 HA GLN A 77 8.370 2.119 -4.830 1.00 33.25 H new ATOM 0 HB2 GLN A 77 7.296 3.615 -3.209 1.00 40.32 H new ATOM 0 HB3 GLN A 77 7.967 4.482 -4.577 1.00 40.32 H new ATOM 0 HG2 GLN A 77 5.724 4.691 -5.567 1.00 2.53 H new ATOM 0 HG3 GLN A 77 5.038 3.781 -4.236 1.00 2.53 H new ATOM 0 HE21 GLN A 77 4.857 4.715 -2.172 1.00 24.10 H new ATOM 0 HE22 GLN A 77 5.010 6.459 -1.936 1.00 24.10 H new ATOM 1076 N VAL A 78 5.227 1.278 -5.159 1.00 33.45 N ATOM 1077 CA VAL A 78 4.230 0.294 -4.746 1.00 54.22 C ATOM 1078 C VAL A 78 4.635 -1.093 -5.228 1.00 43.01 C ATOM 1079 O VAL A 78 4.466 -2.087 -4.515 1.00 63.04 O ATOM 1080 CB VAL A 78 2.815 0.644 -5.283 1.00 44.21 C ATOM 1081 CG1 VAL A 78 1.804 -0.427 -4.891 1.00 62.25 C ATOM 1082 CG2 VAL A 78 2.370 2.003 -4.762 1.00 45.10 C ATOM 0 H VAL A 78 4.958 1.843 -5.964 1.00 33.45 H new ATOM 0 HA VAL A 78 4.187 0.307 -3.657 1.00 54.22 H new ATOM 0 HB VAL A 78 2.867 0.684 -6.371 1.00 44.21 H new ATOM 0 HG11 VAL A 78 0.821 -0.159 -5.279 1.00 62.25 H new ATOM 0 HG12 VAL A 78 2.110 -1.386 -5.309 1.00 62.25 H new ATOM 0 HG13 VAL A 78 1.757 -0.503 -3.805 1.00 62.25 H new ATOM 0 HG21 VAL A 78 1.377 2.233 -5.148 1.00 45.10 H new ATOM 0 HG22 VAL A 78 2.341 1.983 -3.673 1.00 45.10 H new ATOM 0 HG23 VAL A 78 3.073 2.767 -5.092 1.00 45.10 H new ATOM 1092 N MET A 79 5.190 -1.154 -6.435 1.00 32.34 N ATOM 1093 CA MET A 79 5.693 -2.408 -6.975 1.00 62.13 C ATOM 1094 C MET A 79 6.801 -2.929 -6.081 1.00 51.10 C ATOM 1095 O MET A 79 6.880 -4.115 -5.799 1.00 13.14 O ATOM 1096 CB MET A 79 6.218 -2.223 -8.404 1.00 43.41 C ATOM 1097 CG MET A 79 5.144 -1.875 -9.422 1.00 11.42 C ATOM 1098 SD MET A 79 5.810 -1.621 -11.081 1.00 2.21 S ATOM 1099 CE MET A 79 6.477 -3.246 -11.432 1.00 63.15 C ATOM 0 H MET A 79 5.302 -0.351 -7.054 1.00 32.34 H new ATOM 0 HA MET A 79 4.874 -3.127 -7.008 1.00 62.13 H new ATOM 0 HB2 MET A 79 6.971 -1.435 -8.403 1.00 43.41 H new ATOM 0 HB3 MET A 79 6.717 -3.140 -8.718 1.00 43.41 H new ATOM 0 HG2 MET A 79 4.404 -2.675 -9.451 1.00 11.42 H new ATOM 0 HG3 MET A 79 4.625 -0.972 -9.101 1.00 11.42 H new ATOM 0 HE1 MET A 79 6.681 -3.333 -12.499 1.00 63.15 H new ATOM 0 HE2 MET A 79 7.402 -3.388 -10.873 1.00 63.15 H new ATOM 0 HE3 MET A 79 5.755 -4.007 -11.137 1.00 63.15 H new ATOM 1109 N LEU A 80 7.644 -2.014 -5.628 1.00 61.22 N ATOM 1110 CA LEU A 80 8.730 -2.341 -4.720 1.00 3.22 C ATOM 1111 C LEU A 80 8.195 -3.019 -3.455 1.00 50.54 C ATOM 1112 O LEU A 80 8.754 -4.009 -2.989 1.00 40.31 O ATOM 1113 CB LEU A 80 9.504 -1.072 -4.348 1.00 30.22 C ATOM 1114 CG LEU A 80 10.695 -1.266 -3.407 1.00 45.21 C ATOM 1115 CD1 LEU A 80 11.786 -2.082 -4.081 1.00 1.35 C ATOM 1116 CD2 LEU A 80 11.234 0.078 -2.942 1.00 43.42 C ATOM 0 H LEU A 80 7.594 -1.027 -5.879 1.00 61.22 H new ATOM 0 HA LEU A 80 9.402 -3.035 -5.224 1.00 3.22 H new ATOM 0 HB2 LEU A 80 9.863 -0.607 -5.266 1.00 30.22 H new ATOM 0 HB3 LEU A 80 8.811 -0.370 -3.885 1.00 30.22 H new ATOM 0 HG LEU A 80 10.353 -1.817 -2.531 1.00 45.21 H new ATOM 0 HD11 LEU A 80 12.623 -2.208 -3.394 1.00 1.35 H new ATOM 0 HD12 LEU A 80 11.392 -3.060 -4.355 1.00 1.35 H new ATOM 0 HD13 LEU A 80 12.127 -1.564 -4.977 1.00 1.35 H new ATOM 0 HD21 LEU A 80 12.080 -0.081 -2.274 1.00 43.42 H new ATOM 0 HD22 LEU A 80 11.558 0.659 -3.806 1.00 43.42 H new ATOM 0 HD23 LEU A 80 10.451 0.621 -2.413 1.00 43.42 H new ATOM 1128 N PHE A 81 7.112 -2.475 -2.905 1.00 34.01 N ATOM 1129 CA PHE A 81 6.498 -3.033 -1.698 1.00 23.54 C ATOM 1130 C PHE A 81 6.039 -4.473 -1.905 1.00 14.42 C ATOM 1131 O PHE A 81 6.334 -5.338 -1.087 1.00 54.20 O ATOM 1132 CB PHE A 81 5.321 -2.172 -1.223 1.00 54.10 C ATOM 1133 CG PHE A 81 5.689 -0.746 -0.913 1.00 34.34 C ATOM 1134 CD1 PHE A 81 6.938 -0.428 -0.395 1.00 41.41 C ATOM 1135 CD2 PHE A 81 4.785 0.279 -1.143 1.00 31.40 C ATOM 1136 CE1 PHE A 81 7.276 0.878 -0.116 1.00 21.11 C ATOM 1137 CE2 PHE A 81 5.118 1.590 -0.864 1.00 15.04 C ATOM 1138 CZ PHE A 81 6.366 1.888 -0.350 1.00 34.44 C ATOM 0 H PHE A 81 6.640 -1.649 -3.274 1.00 34.01 H new ATOM 0 HA PHE A 81 7.268 -3.031 -0.927 1.00 23.54 H new ATOM 0 HB2 PHE A 81 4.547 -2.178 -1.991 1.00 54.10 H new ATOM 0 HB3 PHE A 81 4.889 -2.626 -0.332 1.00 54.10 H new ATOM 0 HD1 PHE A 81 7.654 -1.215 -0.209 1.00 41.41 H new ATOM 0 HD2 PHE A 81 3.809 0.050 -1.545 1.00 31.40 H new ATOM 0 HE1 PHE A 81 8.251 1.111 0.285 1.00 21.11 H new ATOM 0 HE2 PHE A 81 4.405 2.380 -1.047 1.00 15.04 H new ATOM 0 HZ PHE A 81 6.629 2.912 -0.131 1.00 34.44 H new ATOM 1148 N THR A 82 5.330 -4.734 -3.004 1.00 53.22 N ATOM 1149 CA THR A 82 4.828 -6.080 -3.268 1.00 20.03 C ATOM 1150 C THR A 82 5.967 -7.037 -3.659 1.00 2.32 C ATOM 1151 O THR A 82 5.830 -8.260 -3.547 1.00 72.04 O ATOM 1152 CB THR A 82 3.707 -6.087 -4.352 1.00 54.32 C ATOM 1153 OG1 THR A 82 3.104 -7.381 -4.433 1.00 61.23 O ATOM 1154 CG2 THR A 82 4.251 -5.705 -5.720 1.00 14.51 C ATOM 0 H THR A 82 5.094 -4.042 -3.715 1.00 53.22 H new ATOM 0 HA THR A 82 4.386 -6.437 -2.338 1.00 20.03 H new ATOM 0 HB THR A 82 2.962 -5.349 -4.055 1.00 54.32 H new ATOM 0 HG1 THR A 82 2.401 -7.372 -5.116 1.00 61.23 H new ATOM 0 HG21 THR A 82 3.442 -5.720 -6.450 1.00 14.51 H new ATOM 0 HG22 THR A 82 4.680 -4.704 -5.674 1.00 14.51 H new ATOM 0 HG23 THR A 82 5.022 -6.417 -6.017 1.00 14.51 H new ATOM 1162 N ARG A 83 7.083 -6.476 -4.130 1.00 14.23 N ATOM 1163 CA ARG A 83 8.262 -7.276 -4.456 1.00 61.20 C ATOM 1164 C ARG A 83 8.955 -7.728 -3.184 1.00 32.42 C ATOM 1165 O ARG A 83 9.542 -8.806 -3.129 1.00 73.54 O ATOM 1166 CB ARG A 83 9.235 -6.490 -5.342 1.00 64.52 C ATOM 1167 CG ARG A 83 8.728 -6.288 -6.753 1.00 33.10 C ATOM 1168 CD ARG A 83 9.683 -5.461 -7.593 1.00 41.34 C ATOM 1169 NE ARG A 83 9.226 -5.363 -8.981 1.00 34.41 N ATOM 1170 CZ ARG A 83 9.939 -4.836 -9.978 1.00 54.44 C ATOM 1171 NH1 ARG A 83 11.133 -4.299 -9.742 1.00 34.13 N ATOM 1172 NH2 ARG A 83 9.450 -4.844 -11.214 1.00 33.43 N ATOM 0 H ARG A 83 7.193 -5.475 -4.293 1.00 14.23 H new ATOM 0 HA ARG A 83 7.934 -8.154 -5.013 1.00 61.20 H new ATOM 0 HB2 ARG A 83 9.424 -5.517 -4.888 1.00 64.52 H new ATOM 0 HB3 ARG A 83 10.189 -7.016 -5.378 1.00 64.52 H new ATOM 0 HG2 ARG A 83 8.578 -7.259 -7.226 1.00 33.10 H new ATOM 0 HG3 ARG A 83 7.756 -5.796 -6.721 1.00 33.10 H new ATOM 0 HD2 ARG A 83 9.773 -4.462 -7.167 1.00 41.34 H new ATOM 0 HD3 ARG A 83 10.676 -5.910 -7.566 1.00 41.34 H new ATOM 0 HE ARG A 83 8.297 -5.723 -9.201 1.00 34.41 H new ATOM 0 HH11 ARG A 83 11.509 -4.288 -8.794 1.00 34.13 H new ATOM 0 HH12 ARG A 83 11.672 -3.898 -10.509 1.00 34.13 H new ATOM 0 HH21 ARG A 83 8.533 -5.252 -11.397 1.00 33.43 H new ATOM 0 HH22 ARG A 83 9.992 -4.442 -11.979 1.00 33.43 H new ATOM 1186 N GLN A 84 8.890 -6.887 -2.171 1.00 53.45 N ATOM 1187 CA GLN A 84 9.462 -7.200 -0.880 1.00 43.42 C ATOM 1188 C GLN A 84 8.484 -8.036 -0.053 1.00 35.24 C ATOM 1189 O GLN A 84 7.479 -8.531 -0.571 1.00 34.31 O ATOM 1190 CB GLN A 84 9.825 -5.916 -0.138 1.00 40.24 C ATOM 1191 CG GLN A 84 10.882 -5.083 -0.838 1.00 32.44 C ATOM 1192 CD GLN A 84 11.234 -3.831 -0.071 1.00 23.31 C ATOM 1193 OE1 GLN A 84 10.527 -2.755 -0.345 1.00 35.43 O flip ATOM 1194 NE2 GLN A 84 12.140 -3.832 0.763 1.00 3.44 N flip ATOM 0 H GLN A 84 8.441 -5.972 -2.220 1.00 53.45 H new ATOM 0 HA GLN A 84 10.371 -7.782 -1.033 1.00 43.42 H new ATOM 0 HB2 GLN A 84 8.925 -5.313 -0.012 1.00 40.24 H new ATOM 0 HB3 GLN A 84 10.180 -6.172 0.860 1.00 40.24 H new ATOM 0 HG2 GLN A 84 11.780 -5.684 -0.977 1.00 32.44 H new ATOM 0 HG3 GLN A 84 10.525 -4.809 -1.831 1.00 32.44 H new ATOM 0 HE21 GLN A 84 12.664 -4.688 0.946 1.00 3.44 H new ATOM 0 HE22 GLN A 84 12.366 -2.977 1.271 1.00 3.44 H new ATOM 1203 N GLY A 85 8.776 -8.189 1.224 1.00 74.43 N ATOM 1204 CA GLY A 85 7.917 -8.970 2.081 1.00 21.54 C ATOM 1205 C GLY A 85 6.953 -8.115 2.875 1.00 32.25 C ATOM 1206 O GLY A 85 6.088 -8.637 3.581 1.00 54.21 O ATOM 0 H GLY A 85 9.593 -7.786 1.684 1.00 74.43 H new ATOM 0 HA2 GLY A 85 7.353 -9.679 1.475 1.00 21.54 H new ATOM 0 HA3 GLY A 85 8.529 -9.554 2.768 1.00 21.54 H new ATOM 1210 N GLN A 86 7.094 -6.804 2.761 1.00 75.22 N ATOM 1211 CA GLN A 86 6.231 -5.882 3.484 1.00 73.54 C ATOM 1212 C GLN A 86 4.898 -5.690 2.752 1.00 60.55 C ATOM 1213 O GLN A 86 4.683 -6.256 1.681 1.00 22.01 O ATOM 1214 CB GLN A 86 6.939 -4.532 3.694 1.00 32.45 C ATOM 1215 CG GLN A 86 7.152 -3.716 2.425 1.00 15.10 C ATOM 1216 CD GLN A 86 8.011 -2.493 2.670 1.00 3.23 C ATOM 1217 OE1 GLN A 86 9.226 -2.539 2.527 1.00 64.12 O ATOM 1218 NE2 GLN A 86 7.387 -1.393 3.057 1.00 11.34 N ATOM 0 H GLN A 86 7.797 -6.354 2.175 1.00 75.22 H new ATOM 0 HA GLN A 86 6.017 -6.313 4.462 1.00 73.54 H new ATOM 0 HB2 GLN A 86 6.356 -3.938 4.397 1.00 32.45 H new ATOM 0 HB3 GLN A 86 7.908 -4.715 4.158 1.00 32.45 H new ATOM 0 HG2 GLN A 86 7.622 -4.342 1.667 1.00 15.10 H new ATOM 0 HG3 GLN A 86 6.186 -3.406 2.028 1.00 15.10 H new ATOM 0 HE21 GLN A 86 6.373 -1.393 3.165 1.00 11.34 H new ATOM 0 HE22 GLN A 86 7.920 -0.544 3.247 1.00 11.34 H new ATOM 1227 N GLN A 87 4.019 -4.885 3.331 1.00 71.01 N ATOM 1228 CA GLN A 87 2.712 -4.619 2.735 1.00 31.13 C ATOM 1229 C GLN A 87 2.114 -3.333 3.301 1.00 13.43 C ATOM 1230 O GLN A 87 0.922 -3.081 3.183 1.00 72.45 O ATOM 1231 CB GLN A 87 1.761 -5.806 2.961 1.00 10.53 C ATOM 1232 CG GLN A 87 1.487 -6.126 4.422 1.00 74.44 C ATOM 1233 CD GLN A 87 0.668 -7.389 4.592 1.00 64.34 C ATOM 1234 OE1 GLN A 87 1.215 -8.483 4.709 1.00 23.10 O ATOM 1235 NE2 GLN A 87 -0.642 -7.249 4.602 1.00 5.04 N ATOM 0 H GLN A 87 4.185 -4.403 4.214 1.00 71.01 H new ATOM 0 HA GLN A 87 2.846 -4.489 1.661 1.00 31.13 H new ATOM 0 HB2 GLN A 87 0.814 -5.596 2.465 1.00 10.53 H new ATOM 0 HB3 GLN A 87 2.183 -6.689 2.482 1.00 10.53 H new ATOM 0 HG2 GLN A 87 2.434 -6.236 4.951 1.00 74.44 H new ATOM 0 HG3 GLN A 87 0.960 -5.290 4.882 1.00 74.44 H new ATOM 0 HE21 GLN A 87 -1.057 -6.322 4.502 1.00 5.04 H new ATOM 0 HE22 GLN A 87 -1.242 -8.067 4.710 1.00 5.04 H new ATOM 1244 N SER A 88 2.955 -2.536 3.918 1.00 74.44 N ATOM 1245 CA SER A 88 2.561 -1.246 4.434 1.00 3.14 C ATOM 1246 C SER A 88 3.772 -0.340 4.474 1.00 22.42 C ATOM 1247 O SER A 88 4.897 -0.811 4.696 1.00 52.52 O ATOM 1248 CB SER A 88 1.918 -1.380 5.820 1.00 43.00 C ATOM 1249 OG SER A 88 2.732 -2.145 6.694 1.00 62.23 O ATOM 0 H SER A 88 3.936 -2.765 4.077 1.00 74.44 H new ATOM 0 HA SER A 88 1.810 -0.808 3.776 1.00 3.14 H new ATOM 0 HB2 SER A 88 1.755 -0.390 6.245 1.00 43.00 H new ATOM 0 HB3 SER A 88 0.940 -1.851 5.725 1.00 43.00 H new ATOM 0 HG SER A 88 2.298 -2.212 7.570 1.00 62.23 H new ATOM 1255 N ALA A 89 3.568 0.939 4.229 1.00 64.15 N ATOM 1256 CA ALA A 89 4.667 1.874 4.205 1.00 42.20 C ATOM 1257 C ALA A 89 4.196 3.299 4.403 1.00 60.25 C ATOM 1258 O ALA A 89 3.019 3.615 4.200 1.00 64.53 O ATOM 1259 CB ALA A 89 5.413 1.754 2.892 1.00 61.32 C ATOM 0 H ALA A 89 2.653 1.350 4.045 1.00 64.15 H new ATOM 0 HA ALA A 89 5.334 1.628 5.031 1.00 42.20 H new ATOM 0 HB1 ALA A 89 6.242 2.462 2.878 1.00 61.32 H new ATOM 0 HB2 ALA A 89 5.800 0.741 2.784 1.00 61.32 H new ATOM 0 HB3 ALA A 89 4.735 1.973 2.067 1.00 61.32 H new ATOM 1265 N GLN A 90 5.116 4.147 4.821 1.00 41.13 N ATOM 1266 CA GLN A 90 4.851 5.563 4.984 1.00 2.52 C ATOM 1267 C GLN A 90 5.913 6.352 4.244 1.00 52.23 C ATOM 1268 O GLN A 90 7.074 5.945 4.201 1.00 44.22 O ATOM 1269 CB GLN A 90 4.846 5.972 6.464 1.00 40.23 C ATOM 1270 CG GLN A 90 3.808 5.262 7.317 1.00 33.41 C ATOM 1271 CD GLN A 90 4.405 4.165 8.173 1.00 13.30 C ATOM 1272 OE1 GLN A 90 4.429 2.957 7.657 1.00 10.20 O flip ATOM 1273 NE2 GLN A 90 4.834 4.407 9.299 1.00 32.23 N flip ATOM 0 H GLN A 90 6.070 3.873 5.057 1.00 41.13 H new ATOM 0 HA GLN A 90 3.863 5.776 4.576 1.00 2.52 H new ATOM 0 HB2 GLN A 90 5.834 5.780 6.883 1.00 40.23 H new ATOM 0 HB3 GLN A 90 4.676 7.047 6.529 1.00 40.23 H new ATOM 0 HG2 GLN A 90 3.313 5.990 7.960 1.00 33.41 H new ATOM 0 HG3 GLN A 90 3.042 4.835 6.669 1.00 33.41 H new ATOM 0 HE21 GLN A 90 4.798 5.358 9.665 1.00 32.23 H new ATOM 0 HE22 GLN A 90 5.226 3.656 9.868 1.00 32.23 H new ATOM 1282 N LEU A 91 5.526 7.460 3.658 1.00 32.35 N ATOM 1283 CA LEU A 91 6.461 8.287 2.918 1.00 23.03 C ATOM 1284 C LEU A 91 6.093 9.752 3.083 1.00 61.33 C ATOM 1285 O LEU A 91 4.950 10.073 3.426 1.00 31.43 O ATOM 1286 CB LEU A 91 6.450 7.895 1.430 1.00 60.11 C ATOM 1287 CG LEU A 91 7.522 8.548 0.548 1.00 12.35 C ATOM 1288 CD1 LEU A 91 8.914 8.107 0.978 1.00 51.00 C ATOM 1289 CD2 LEU A 91 7.285 8.215 -0.916 1.00 74.43 C ATOM 0 H LEU A 91 4.569 7.814 3.677 1.00 32.35 H new ATOM 0 HA LEU A 91 7.466 8.130 3.310 1.00 23.03 H new ATOM 0 HB2 LEU A 91 6.562 6.813 1.360 1.00 60.11 H new ATOM 0 HB3 LEU A 91 5.471 8.141 1.018 1.00 60.11 H new ATOM 0 HG LEU A 91 7.453 9.629 0.670 1.00 12.35 H new ATOM 0 HD11 LEU A 91 9.659 8.581 0.340 1.00 51.00 H new ATOM 0 HD12 LEU A 91 9.084 8.399 2.014 1.00 51.00 H new ATOM 0 HD13 LEU A 91 8.996 7.024 0.889 1.00 51.00 H new ATOM 0 HD21 LEU A 91 8.055 8.687 -1.526 1.00 74.43 H new ATOM 0 HD22 LEU A 91 7.324 7.135 -1.054 1.00 74.43 H new ATOM 0 HD23 LEU A 91 6.305 8.584 -1.219 1.00 74.43 H new ATOM 1301 N ARG A 92 7.055 10.638 2.856 1.00 74.55 N ATOM 1302 CA ARG A 92 6.808 12.062 2.972 1.00 71.31 C ATOM 1303 C ARG A 92 6.110 12.587 1.726 1.00 34.43 C ATOM 1304 O ARG A 92 6.650 12.529 0.613 1.00 63.13 O ATOM 1305 CB ARG A 92 8.112 12.821 3.210 1.00 44.44 C ATOM 1306 CG ARG A 92 8.027 13.831 4.343 1.00 42.42 C ATOM 1307 CD ARG A 92 7.828 13.133 5.681 1.00 41.44 C ATOM 1308 NE ARG A 92 7.632 14.078 6.778 1.00 4.21 N ATOM 1309 CZ ARG A 92 7.693 13.754 8.073 1.00 53.23 C ATOM 1310 NH1 ARG A 92 7.994 12.513 8.444 1.00 74.50 N ATOM 1311 NH2 ARG A 92 7.460 14.675 8.997 1.00 64.12 N ATOM 0 H ARG A 92 8.009 10.393 2.592 1.00 74.55 H new ATOM 0 HA ARG A 92 6.155 12.224 3.830 1.00 71.31 H new ATOM 0 HB2 ARG A 92 8.905 12.106 3.430 1.00 44.44 H new ATOM 0 HB3 ARG A 92 8.395 13.338 2.293 1.00 44.44 H new ATOM 0 HG2 ARG A 92 8.938 14.428 4.372 1.00 42.42 H new ATOM 0 HG3 ARG A 92 7.201 14.519 4.161 1.00 42.42 H new ATOM 0 HD2 ARG A 92 6.965 12.470 5.617 1.00 41.44 H new ATOM 0 HD3 ARG A 92 8.695 12.508 5.894 1.00 41.44 H new ATOM 0 HE ARG A 92 7.435 15.050 6.539 1.00 4.21 H new ATOM 0 HH11 ARG A 92 8.180 11.801 7.738 1.00 74.50 H new ATOM 0 HH12 ARG A 92 8.039 12.273 9.434 1.00 74.50 H new ATOM 0 HH21 ARG A 92 7.234 15.630 8.719 1.00 64.12 H new ATOM 0 HH22 ARG A 92 7.506 14.429 9.986 1.00 64.12 H new ATOM 1325 N LEU A 93 4.915 13.095 1.925 1.00 32.32 N ATOM 1326 CA LEU A 93 4.097 13.593 0.835 1.00 44.01 C ATOM 1327 C LEU A 93 3.554 14.972 1.136 1.00 21.22 C ATOM 1328 O LEU A 93 3.266 15.307 2.287 1.00 44.40 O ATOM 1329 CB LEU A 93 2.918 12.644 0.542 1.00 52.22 C ATOM 1330 CG LEU A 93 3.165 11.482 -0.442 1.00 42.41 C ATOM 1331 CD1 LEU A 93 3.716 11.987 -1.761 1.00 2.53 C ATOM 1332 CD2 LEU A 93 4.075 10.425 0.158 1.00 11.11 C ATOM 0 H LEU A 93 4.480 13.176 2.844 1.00 32.32 H new ATOM 0 HA LEU A 93 4.743 13.647 -0.041 1.00 44.01 H new ATOM 0 HB2 LEU A 93 2.586 12.218 1.489 1.00 52.22 H new ATOM 0 HB3 LEU A 93 2.093 13.242 0.155 1.00 52.22 H new ATOM 0 HG LEU A 93 2.201 11.013 -0.638 1.00 42.41 H new ATOM 0 HD11 LEU A 93 3.880 11.145 -2.433 1.00 2.53 H new ATOM 0 HD12 LEU A 93 3.004 12.678 -2.212 1.00 2.53 H new ATOM 0 HD13 LEU A 93 4.661 12.502 -1.587 1.00 2.53 H new ATOM 0 HD21 LEU A 93 4.226 9.623 -0.564 1.00 11.11 H new ATOM 0 HD22 LEU A 93 5.036 10.873 0.409 1.00 11.11 H new ATOM 0 HD23 LEU A 93 3.617 10.020 1.060 1.00 11.11 H new ATOM 1344 N HIS A 94 3.443 15.774 0.099 1.00 52.03 N ATOM 1345 CA HIS A 94 2.842 17.083 0.203 1.00 25.21 C ATOM 1346 C HIS A 94 1.441 17.019 -0.421 1.00 31.13 C ATOM 1347 O HIS A 94 1.131 16.036 -1.093 1.00 72.04 O ATOM 1348 CB HIS A 94 3.730 18.161 -0.465 1.00 74.13 C ATOM 1349 CG HIS A 94 3.939 18.002 -1.942 1.00 14.21 C ATOM 1350 ND1 HIS A 94 5.052 17.403 -2.482 1.00 64.23 N ATOM 1351 CD2 HIS A 94 3.184 18.401 -2.994 1.00 43.02 C ATOM 1352 CE1 HIS A 94 4.976 17.441 -3.796 1.00 23.43 C ATOM 1353 NE2 HIS A 94 3.852 18.041 -4.133 1.00 24.44 N ATOM 0 H HIS A 94 3.767 15.536 -0.838 1.00 52.03 H new ATOM 0 HA HIS A 94 2.753 17.373 1.250 1.00 25.21 H new ATOM 0 HB2 HIS A 94 3.284 19.139 -0.282 1.00 74.13 H new ATOM 0 HB3 HIS A 94 4.704 18.159 0.024 1.00 74.13 H new ATOM 0 HD1 HIS A 94 5.818 16.993 -1.948 1.00 64.23 H new ATOM 0 HD2 HIS A 94 2.232 18.909 -2.943 1.00 43.02 H new ATOM 0 HE1 HIS A 94 5.711 17.047 -4.482 1.00 23.43 H new ATOM 1362 N PRO A 95 0.563 18.046 -0.249 1.00 63.02 N ATOM 1363 CA PRO A 95 0.840 19.312 0.467 1.00 22.42 C ATOM 1364 C PRO A 95 1.415 19.162 1.878 1.00 70.25 C ATOM 1365 O PRO A 95 1.381 18.088 2.487 1.00 65.12 O ATOM 1366 CB PRO A 95 -0.535 20.006 0.533 1.00 31.24 C ATOM 1367 CG PRO A 95 -1.521 18.957 0.160 1.00 75.24 C ATOM 1368 CD PRO A 95 -0.803 18.041 -0.773 1.00 3.20 C ATOM 0 HA PRO A 95 1.615 19.866 -0.063 1.00 22.42 H new ATOM 0 HB2 PRO A 95 -0.732 20.394 1.532 1.00 31.24 H new ATOM 0 HB3 PRO A 95 -0.582 20.852 -0.153 1.00 31.24 H new ATOM 0 HG2 PRO A 95 -1.874 18.421 1.041 1.00 75.24 H new ATOM 0 HG3 PRO A 95 -2.397 19.395 -0.318 1.00 75.24 H new ATOM 0 HD2 PRO A 95 -1.234 17.040 -0.768 1.00 3.20 H new ATOM 0 HD3 PRO A 95 -0.843 18.400 -1.802 1.00 3.20 H new ATOM 1376 N GLU A 96 1.910 20.278 2.376 1.00 63.12 N ATOM 1377 CA GLU A 96 2.539 20.348 3.687 1.00 64.15 C ATOM 1378 C GLU A 96 1.562 19.875 4.755 1.00 4.03 C ATOM 1379 O GLU A 96 1.939 19.166 5.687 1.00 71.23 O ATOM 1380 CB GLU A 96 3.023 21.765 3.969 1.00 61.35 C ATOM 1381 CG GLU A 96 3.939 22.302 2.881 1.00 73.23 C ATOM 1382 CD GLU A 96 4.527 23.649 3.210 1.00 23.11 C ATOM 1383 OE1 GLU A 96 3.777 24.641 3.234 1.00 5.43 O ATOM 1384 OE2 GLU A 96 5.749 23.725 3.436 1.00 32.13 O ATOM 0 H GLU A 96 1.889 21.170 1.881 1.00 63.12 H new ATOM 0 HA GLU A 96 3.409 19.691 3.703 1.00 64.15 H new ATOM 0 HB2 GLU A 96 2.161 22.425 4.071 1.00 61.35 H new ATOM 0 HB3 GLU A 96 3.551 21.781 4.923 1.00 61.35 H new ATOM 0 HG2 GLU A 96 4.748 21.591 2.713 1.00 73.23 H new ATOM 0 HG3 GLU A 96 3.380 22.375 1.948 1.00 73.23 H new ATOM 1391 N GLU A 97 0.312 20.298 4.601 1.00 54.14 N ATOM 1392 CA GLU A 97 -0.797 19.864 5.449 1.00 61.01 C ATOM 1393 C GLU A 97 -0.779 18.345 5.684 1.00 44.01 C ATOM 1394 O GLU A 97 -0.856 17.890 6.826 1.00 74.42 O ATOM 1395 CB GLU A 97 -2.125 20.273 4.805 1.00 51.25 C ATOM 1396 CG GLU A 97 -3.354 19.930 5.627 1.00 74.22 C ATOM 1397 CD GLU A 97 -4.636 20.294 4.919 1.00 32.22 C ATOM 1398 OE1 GLU A 97 -4.993 21.494 4.902 1.00 45.15 O ATOM 1399 OE2 GLU A 97 -5.296 19.386 4.369 1.00 40.45 O ATOM 0 H GLU A 97 0.035 20.960 3.876 1.00 54.14 H new ATOM 0 HA GLU A 97 -0.686 20.349 6.419 1.00 61.01 H new ATOM 0 HB2 GLU A 97 -2.112 21.348 4.626 1.00 51.25 H new ATOM 0 HB3 GLU A 97 -2.207 19.789 3.832 1.00 51.25 H new ATOM 0 HG2 GLU A 97 -3.354 18.863 5.848 1.00 74.22 H new ATOM 0 HG3 GLU A 97 -3.308 20.454 6.582 1.00 74.22 H new ATOM 1406 N LEU A 98 -0.672 17.574 4.602 1.00 23.45 N ATOM 1407 CA LEU A 98 -0.674 16.109 4.690 1.00 74.41 C ATOM 1408 C LEU A 98 0.527 15.576 5.461 1.00 41.21 C ATOM 1409 O LEU A 98 0.378 14.699 6.312 1.00 53.41 O ATOM 1410 CB LEU A 98 -0.707 15.480 3.295 1.00 71.52 C ATOM 1411 CG LEU A 98 -1.958 15.759 2.465 1.00 40.42 C ATOM 1412 CD1 LEU A 98 -1.883 15.037 1.129 1.00 52.44 C ATOM 1413 CD2 LEU A 98 -3.206 15.345 3.225 1.00 22.41 C ATOM 0 H LEU A 98 -0.583 17.937 3.653 1.00 23.45 H new ATOM 0 HA LEU A 98 -1.575 15.830 5.236 1.00 74.41 H new ATOM 0 HB2 LEU A 98 0.161 15.833 2.738 1.00 71.52 H new ATOM 0 HB3 LEU A 98 -0.599 14.401 3.402 1.00 71.52 H new ATOM 0 HG LEU A 98 -2.012 16.831 2.275 1.00 40.42 H new ATOM 0 HD11 LEU A 98 -2.783 15.247 0.551 1.00 52.44 H new ATOM 0 HD12 LEU A 98 -1.008 15.382 0.578 1.00 52.44 H new ATOM 0 HD13 LEU A 98 -1.804 13.963 1.300 1.00 52.44 H new ATOM 0 HD21 LEU A 98 -4.087 15.551 2.618 1.00 22.41 H new ATOM 0 HD22 LEU A 98 -3.160 14.279 3.447 1.00 22.41 H new ATOM 0 HD23 LEU A 98 -3.268 15.907 4.157 1.00 22.41 H new ATOM 1425 N GLY A 99 1.705 16.121 5.182 1.00 34.32 N ATOM 1426 CA GLY A 99 2.936 15.662 5.824 1.00 40.40 C ATOM 1427 C GLY A 99 3.389 14.256 5.414 1.00 22.32 C ATOM 1428 O GLY A 99 4.574 14.041 5.140 1.00 20.31 O ATOM 0 H GLY A 99 1.836 16.882 4.515 1.00 34.32 H new ATOM 0 HA2 GLY A 99 3.734 16.367 5.593 1.00 40.40 H new ATOM 0 HA3 GLY A 99 2.795 15.682 6.905 1.00 40.40 H new ATOM 1432 N GLN A 100 2.460 13.315 5.346 1.00 43.11 N ATOM 1433 CA GLN A 100 2.783 11.939 5.022 1.00 42.22 C ATOM 1434 C GLN A 100 1.556 11.215 4.478 1.00 40.01 C ATOM 1435 O GLN A 100 0.447 11.758 4.484 1.00 63.22 O ATOM 1436 CB GLN A 100 3.350 11.179 6.242 1.00 41.50 C ATOM 1437 CG GLN A 100 2.419 11.126 7.449 1.00 72.32 C ATOM 1438 CD GLN A 100 2.504 12.369 8.314 1.00 52.42 C ATOM 1439 OE1 GLN A 100 3.558 12.998 8.419 1.00 14.15 O ATOM 1440 NE2 GLN A 100 1.402 12.728 8.937 1.00 42.11 N ATOM 0 H GLN A 100 1.468 13.484 5.513 1.00 43.11 H new ATOM 0 HA GLN A 100 3.556 11.960 4.254 1.00 42.22 H new ATOM 0 HB2 GLN A 100 3.588 10.159 5.939 1.00 41.50 H new ATOM 0 HB3 GLN A 100 4.286 11.649 6.543 1.00 41.50 H new ATOM 0 HG2 GLN A 100 1.393 10.998 7.105 1.00 72.32 H new ATOM 0 HG3 GLN A 100 2.664 10.252 8.052 1.00 72.32 H new ATOM 0 HE21 GLN A 100 0.550 12.179 8.823 1.00 42.11 H new ATOM 0 HE22 GLN A 100 1.400 13.555 9.534 1.00 42.11 H new ATOM 1449 N VAL A 101 1.766 9.984 4.044 1.00 53.13 N ATOM 1450 CA VAL A 101 0.699 9.133 3.527 1.00 74.42 C ATOM 1451 C VAL A 101 0.939 7.695 3.977 1.00 61.44 C ATOM 1452 O VAL A 101 2.080 7.221 3.970 1.00 64.20 O ATOM 1453 CB VAL A 101 0.596 9.185 1.966 1.00 30.33 C ATOM 1454 CG1 VAL A 101 -0.399 8.150 1.447 1.00 34.13 C ATOM 1455 CG2 VAL A 101 0.179 10.572 1.501 1.00 54.35 C ATOM 0 H VAL A 101 2.685 9.541 4.039 1.00 53.13 H new ATOM 0 HA VAL A 101 -0.244 9.507 3.926 1.00 74.42 H new ATOM 0 HB VAL A 101 1.582 8.955 1.563 1.00 30.33 H new ATOM 0 HG11 VAL A 101 -0.451 8.208 0.360 1.00 34.13 H new ATOM 0 HG12 VAL A 101 -0.073 7.152 1.742 1.00 34.13 H new ATOM 0 HG13 VAL A 101 -1.384 8.349 1.868 1.00 34.13 H new ATOM 0 HG21 VAL A 101 0.113 10.587 0.413 1.00 54.35 H new ATOM 0 HG22 VAL A 101 -0.793 10.821 1.927 1.00 54.35 H new ATOM 0 HG23 VAL A 101 0.917 11.303 1.830 1.00 54.35 H new ATOM 1465 N HIS A 102 -0.117 7.014 4.384 1.00 4.33 N ATOM 1466 CA HIS A 102 -0.002 5.636 4.837 1.00 60.14 C ATOM 1467 C HIS A 102 -0.492 4.694 3.751 1.00 4.41 C ATOM 1468 O HIS A 102 -1.696 4.588 3.515 1.00 43.34 O ATOM 1469 CB HIS A 102 -0.800 5.413 6.128 1.00 34.15 C ATOM 1470 CG HIS A 102 -0.596 4.053 6.735 1.00 40.03 C ATOM 1471 ND1 HIS A 102 -1.534 3.046 6.675 1.00 21.33 N ATOM 1472 CD2 HIS A 102 0.454 3.538 7.416 1.00 63.24 C ATOM 1473 CE1 HIS A 102 -1.071 1.977 7.289 1.00 1.43 C ATOM 1474 NE2 HIS A 102 0.133 2.248 7.748 1.00 41.11 N ATOM 0 H HIS A 102 -1.064 7.391 4.411 1.00 4.33 H new ATOM 0 HA HIS A 102 1.047 5.429 5.047 1.00 60.14 H new ATOM 0 HB2 HIS A 102 -0.516 6.173 6.856 1.00 34.15 H new ATOM 0 HB3 HIS A 102 -1.860 5.553 5.918 1.00 34.15 H new ATOM 0 HD2 HIS A 102 1.375 4.049 7.654 1.00 63.24 H new ATOM 0 HE1 HIS A 102 -1.591 1.037 7.398 1.00 1.43 H new ATOM 0 HE2 HIS A 102 0.729 1.603 8.266 1.00 41.11 H new ATOM 1483 N ILE A 103 0.432 4.035 3.083 1.00 15.03 N ATOM 1484 CA ILE A 103 0.081 3.111 2.021 1.00 75.10 C ATOM 1485 C ILE A 103 -0.015 1.687 2.553 1.00 42.33 C ATOM 1486 O ILE A 103 0.960 1.136 3.072 1.00 52.30 O ATOM 1487 CB ILE A 103 1.107 3.147 0.845 1.00 55.42 C ATOM 1488 CG1 ILE A 103 1.220 4.557 0.243 1.00 15.42 C ATOM 1489 CG2 ILE A 103 0.722 2.145 -0.237 1.00 72.14 C ATOM 1490 CD1 ILE A 103 2.182 5.472 0.977 1.00 24.23 C ATOM 0 H ILE A 103 1.434 4.121 3.256 1.00 15.03 H new ATOM 0 HA ILE A 103 -0.889 3.430 1.640 1.00 75.10 H new ATOM 0 HB ILE A 103 2.081 2.871 1.250 1.00 55.42 H new ATOM 0 HG12 ILE A 103 1.539 4.472 -0.796 1.00 15.42 H new ATOM 0 HG13 ILE A 103 0.232 5.017 0.237 1.00 15.42 H new ATOM 0 HG21 ILE A 103 1.450 2.187 -1.047 1.00 72.14 H new ATOM 0 HG22 ILE A 103 0.707 1.141 0.186 1.00 72.14 H new ATOM 0 HG23 ILE A 103 -0.267 2.390 -0.625 1.00 72.14 H new ATOM 0 HD11 ILE A 103 2.202 6.446 0.488 1.00 24.23 H new ATOM 0 HD12 ILE A 103 1.854 5.591 2.010 1.00 24.23 H new ATOM 0 HD13 ILE A 103 3.181 5.037 0.961 1.00 24.23 H new ATOM 1502 N SER A 104 -1.194 1.120 2.449 1.00 62.13 N ATOM 1503 CA SER A 104 -1.434 -0.244 2.853 1.00 53.11 C ATOM 1504 C SER A 104 -1.517 -1.137 1.612 1.00 2.24 C ATOM 1505 O SER A 104 -1.585 -0.636 0.489 1.00 41.15 O ATOM 1506 CB SER A 104 -2.717 -0.323 3.669 1.00 32.15 C ATOM 1507 OG SER A 104 -2.681 0.590 4.759 1.00 60.42 O ATOM 0 H SER A 104 -2.018 1.595 2.080 1.00 62.13 H new ATOM 0 HA SER A 104 -0.612 -0.593 3.477 1.00 53.11 H new ATOM 0 HB2 SER A 104 -3.573 -0.101 3.031 1.00 32.15 H new ATOM 0 HB3 SER A 104 -2.853 -1.338 4.043 1.00 32.15 H new ATOM 0 HG SER A 104 -3.515 0.524 5.269 1.00 60.42 H new ATOM 1513 N LEU A 105 -1.543 -2.444 1.807 1.00 10.42 N ATOM 1514 CA LEU A 105 -1.528 -3.373 0.691 1.00 43.34 C ATOM 1515 C LEU A 105 -2.212 -4.676 1.081 1.00 42.43 C ATOM 1516 O LEU A 105 -1.720 -5.402 1.947 1.00 62.41 O ATOM 1517 CB LEU A 105 -0.091 -3.642 0.221 1.00 54.52 C ATOM 1518 CG LEU A 105 0.058 -4.592 -0.974 1.00 25.24 C ATOM 1519 CD1 LEU A 105 -0.608 -4.011 -2.214 1.00 44.25 C ATOM 1520 CD2 LEU A 105 1.528 -4.884 -1.241 1.00 61.40 C ATOM 0 H LEU A 105 -1.575 -2.885 2.726 1.00 10.42 H new ATOM 0 HA LEU A 105 -2.076 -2.922 -0.136 1.00 43.34 H new ATOM 0 HB2 LEU A 105 0.370 -2.689 -0.038 1.00 54.52 H new ATOM 0 HB3 LEU A 105 0.474 -4.052 1.058 1.00 54.52 H new ATOM 0 HG LEU A 105 -0.442 -5.530 -0.730 1.00 25.24 H new ATOM 0 HD11 LEU A 105 -0.489 -4.702 -3.048 1.00 44.25 H new ATOM 0 HD12 LEU A 105 -1.669 -3.857 -2.019 1.00 44.25 H new ATOM 0 HD13 LEU A 105 -0.143 -3.057 -2.464 1.00 44.25 H new ATOM 0 HD21 LEU A 105 1.616 -5.559 -2.092 1.00 61.40 H new ATOM 0 HD22 LEU A 105 2.050 -3.953 -1.461 1.00 61.40 H new ATOM 0 HD23 LEU A 105 1.972 -5.349 -0.361 1.00 61.40 H new ATOM 1532 N LYS A 106 -3.345 -4.959 0.482 1.00 45.53 N ATOM 1533 CA LYS A 106 -4.043 -6.203 0.760 1.00 0.31 C ATOM 1534 C LYS A 106 -3.872 -7.173 -0.388 1.00 40.32 C ATOM 1535 O LYS A 106 -3.885 -6.777 -1.549 1.00 44.12 O ATOM 1536 CB LYS A 106 -5.526 -5.959 1.016 1.00 75.44 C ATOM 1537 CG LYS A 106 -5.826 -5.256 2.325 1.00 1.30 C ATOM 1538 CD LYS A 106 -7.322 -5.090 2.520 1.00 30.43 C ATOM 1539 CE LYS A 106 -7.644 -4.448 3.856 1.00 40.02 C ATOM 1540 NZ LYS A 106 -9.090 -4.142 3.991 1.00 42.14 N ATOM 0 H LYS A 106 -3.805 -4.353 -0.197 1.00 45.53 H new ATOM 0 HA LYS A 106 -3.606 -6.634 1.661 1.00 0.31 H new ATOM 0 HB2 LYS A 106 -5.931 -5.365 0.197 1.00 75.44 H new ATOM 0 HB3 LYS A 106 -6.047 -6.916 1.003 1.00 75.44 H new ATOM 0 HG2 LYS A 106 -5.408 -5.828 3.154 1.00 1.30 H new ATOM 0 HG3 LYS A 106 -5.343 -4.279 2.337 1.00 1.30 H new ATOM 0 HD2 LYS A 106 -7.729 -4.478 1.715 1.00 30.43 H new ATOM 0 HD3 LYS A 106 -7.808 -6.064 2.457 1.00 30.43 H new ATOM 0 HE2 LYS A 106 -7.338 -5.115 4.662 1.00 40.02 H new ATOM 0 HE3 LYS A 106 -7.067 -3.530 3.965 1.00 40.02 H new ATOM 0 HZ1 LYS A 106 -9.387 -4.296 4.976 1.00 42.14 H new ATOM 0 HZ2 LYS A 106 -9.261 -3.150 3.729 1.00 42.14 H new ATOM 0 HZ3 LYS A 106 -9.637 -4.765 3.363 1.00 42.14 H new ATOM 1554 N LEU A 107 -3.722 -8.432 -0.062 1.00 70.32 N ATOM 1555 CA LEU A 107 -3.538 -9.465 -1.054 1.00 55.35 C ATOM 1556 C LEU A 107 -4.471 -10.623 -0.733 1.00 11.51 C ATOM 1557 O LEU A 107 -4.336 -11.267 0.309 1.00 70.00 O ATOM 1558 CB LEU A 107 -2.061 -9.928 -1.066 1.00 33.33 C ATOM 1559 CG LEU A 107 -1.559 -10.662 -2.333 1.00 34.22 C ATOM 1560 CD1 LEU A 107 -2.211 -12.027 -2.492 1.00 63.22 C ATOM 1561 CD2 LEU A 107 -1.789 -9.812 -3.573 1.00 13.40 C ATOM 0 H LEU A 107 -3.724 -8.772 0.900 1.00 70.32 H new ATOM 0 HA LEU A 107 -3.776 -9.081 -2.046 1.00 55.35 H new ATOM 0 HB2 LEU A 107 -1.431 -9.052 -0.912 1.00 33.33 H new ATOM 0 HB3 LEU A 107 -1.907 -10.586 -0.211 1.00 33.33 H new ATOM 0 HG LEU A 107 -0.488 -10.823 -2.213 1.00 34.22 H new ATOM 0 HD11 LEU A 107 -1.831 -12.509 -3.393 1.00 63.22 H new ATOM 0 HD12 LEU A 107 -1.978 -12.645 -1.625 1.00 63.22 H new ATOM 0 HD13 LEU A 107 -3.291 -11.907 -2.572 1.00 63.22 H new ATOM 0 HD21 LEU A 107 -1.429 -10.346 -4.452 1.00 13.40 H new ATOM 0 HD22 LEU A 107 -2.854 -9.609 -3.683 1.00 13.40 H new ATOM 0 HD23 LEU A 107 -1.249 -8.871 -3.474 1.00 13.40 H new ATOM 1573 N ASP A 108 -5.418 -10.876 -1.615 1.00 50.55 N ATOM 1574 CA ASP A 108 -6.388 -11.939 -1.411 1.00 62.24 C ATOM 1575 C ASP A 108 -6.782 -12.538 -2.747 1.00 71.11 C ATOM 1576 O ASP A 108 -6.892 -11.819 -3.737 1.00 43.15 O ATOM 1577 CB ASP A 108 -7.626 -11.394 -0.685 1.00 1.20 C ATOM 1578 CG ASP A 108 -8.702 -12.442 -0.475 1.00 44.21 C ATOM 1579 OD1 ASP A 108 -8.510 -13.342 0.371 1.00 72.34 O ATOM 1580 OD2 ASP A 108 -9.748 -12.372 -1.152 1.00 62.33 O ATOM 0 H ASP A 108 -5.538 -10.358 -2.485 1.00 50.55 H new ATOM 0 HA ASP A 108 -5.939 -12.717 -0.794 1.00 62.24 H new ATOM 0 HB2 ASP A 108 -7.325 -10.992 0.282 1.00 1.20 H new ATOM 0 HB3 ASP A 108 -8.041 -10.566 -1.259 1.00 1.20 H new ATOM 1585 N ASP A 109 -6.980 -13.856 -2.769 1.00 43.21 N ATOM 1586 CA ASP A 109 -7.337 -14.589 -3.990 1.00 22.10 C ATOM 1587 C ASP A 109 -6.272 -14.379 -5.078 1.00 35.41 C ATOM 1588 O ASP A 109 -5.243 -15.051 -5.077 1.00 33.41 O ATOM 1589 CB ASP A 109 -8.738 -14.185 -4.484 1.00 62.32 C ATOM 1590 CG ASP A 109 -9.271 -15.098 -5.566 1.00 63.01 C ATOM 1591 OD1 ASP A 109 -9.027 -14.827 -6.751 1.00 60.42 O ATOM 1592 OD2 ASP A 109 -9.961 -16.080 -5.233 1.00 71.11 O ATOM 0 H ASP A 109 -6.898 -14.448 -1.943 1.00 43.21 H new ATOM 0 HA ASP A 109 -7.368 -15.653 -3.756 1.00 22.10 H new ATOM 0 HB2 ASP A 109 -9.429 -14.188 -3.641 1.00 62.32 H new ATOM 0 HB3 ASP A 109 -8.703 -13.164 -4.863 1.00 62.32 H new ATOM 1597 N ASN A 110 -6.514 -13.449 -5.991 1.00 73.21 N ATOM 1598 CA ASN A 110 -5.531 -13.099 -7.015 1.00 41.05 C ATOM 1599 C ASN A 110 -5.625 -11.608 -7.300 1.00 31.22 C ATOM 1600 O ASN A 110 -5.228 -11.124 -8.355 1.00 2.45 O ATOM 1601 CB ASN A 110 -5.764 -13.927 -8.311 1.00 10.51 C ATOM 1602 CG ASN A 110 -6.865 -13.376 -9.228 1.00 64.41 C ATOM 1603 OD1 ASN A 110 -6.589 -12.649 -10.185 1.00 44.20 O ATOM 1604 ND2 ASN A 110 -8.102 -13.710 -8.941 1.00 54.22 N ATOM 0 H ASN A 110 -7.384 -12.920 -6.046 1.00 73.21 H new ATOM 0 HA ASN A 110 -4.530 -13.335 -6.653 1.00 41.05 H new ATOM 0 HB2 ASN A 110 -4.830 -13.972 -8.872 1.00 10.51 H new ATOM 0 HB3 ASN A 110 -6.018 -14.950 -8.033 1.00 10.51 H new ATOM 0 HD21 ASN A 110 -8.870 -13.366 -9.517 1.00 54.22 H new ATOM 0 HD22 ASN A 110 -8.295 -14.313 -8.142 1.00 54.22 H new ATOM 1611 N GLN A 111 -6.065 -10.870 -6.298 1.00 52.44 N ATOM 1612 CA GLN A 111 -6.300 -9.455 -6.445 1.00 72.01 C ATOM 1613 C GLN A 111 -5.700 -8.700 -5.272 1.00 54.45 C ATOM 1614 O GLN A 111 -5.676 -9.197 -4.139 1.00 33.22 O ATOM 1615 CB GLN A 111 -7.805 -9.160 -6.562 1.00 2.02 C ATOM 1616 CG GLN A 111 -8.626 -9.589 -5.352 1.00 34.24 C ATOM 1617 CD GLN A 111 -10.100 -9.276 -5.508 1.00 51.42 C ATOM 1618 OE1 GLN A 111 -10.564 -8.195 -5.136 1.00 21.51 O ATOM 1619 NE2 GLN A 111 -10.848 -10.214 -6.052 1.00 42.41 N ATOM 0 H GLN A 111 -6.267 -11.236 -5.368 1.00 52.44 H new ATOM 0 HA GLN A 111 -5.817 -9.119 -7.362 1.00 72.01 H new ATOM 0 HB2 GLN A 111 -7.942 -8.090 -6.718 1.00 2.02 H new ATOM 0 HB3 GLN A 111 -8.194 -9.664 -7.447 1.00 2.02 H new ATOM 0 HG2 GLN A 111 -8.501 -10.660 -5.194 1.00 34.24 H new ATOM 0 HG3 GLN A 111 -8.244 -9.088 -4.462 1.00 34.24 H new ATOM 0 HE21 GLN A 111 -10.427 -11.095 -6.347 1.00 42.41 H new ATOM 0 HE22 GLN A 111 -11.848 -10.059 -6.178 1.00 42.41 H new ATOM 1628 N ALA A 112 -5.192 -7.526 -5.545 1.00 32.54 N ATOM 1629 CA ALA A 112 -4.606 -6.702 -4.523 1.00 40.23 C ATOM 1630 C ALA A 112 -5.427 -5.450 -4.322 1.00 53.34 C ATOM 1631 O ALA A 112 -5.748 -4.749 -5.278 1.00 33.51 O ATOM 1632 CB ALA A 112 -3.173 -6.343 -4.886 1.00 22.33 C ATOM 0 H ALA A 112 -5.173 -7.116 -6.479 1.00 32.54 H new ATOM 0 HA ALA A 112 -4.596 -7.264 -3.589 1.00 40.23 H new ATOM 0 HB1 ALA A 112 -2.744 -5.719 -4.102 1.00 22.33 H new ATOM 0 HB2 ALA A 112 -2.584 -7.255 -4.987 1.00 22.33 H new ATOM 0 HB3 ALA A 112 -3.162 -5.798 -5.830 1.00 22.33 H new ATOM 1638 N GLN A 113 -5.777 -5.176 -3.088 1.00 13.13 N ATOM 1639 CA GLN A 113 -6.522 -3.983 -2.772 1.00 24.15 C ATOM 1640 C GLN A 113 -5.573 -2.958 -2.190 1.00 32.31 C ATOM 1641 O GLN A 113 -4.999 -3.168 -1.116 1.00 1.44 O ATOM 1642 CB GLN A 113 -7.662 -4.281 -1.786 1.00 55.42 C ATOM 1643 CG GLN A 113 -8.532 -3.070 -1.465 1.00 54.44 C ATOM 1644 CD GLN A 113 -9.507 -3.329 -0.329 1.00 60.13 C ATOM 1645 OE1 GLN A 113 -9.187 -3.111 0.834 1.00 2.51 O ATOM 1646 NE2 GLN A 113 -10.700 -3.787 -0.657 1.00 63.45 N ATOM 0 H GLN A 113 -5.557 -5.765 -2.285 1.00 13.13 H new ATOM 0 HA GLN A 113 -6.976 -3.594 -3.684 1.00 24.15 H new ATOM 0 HB2 GLN A 113 -8.291 -5.069 -2.200 1.00 55.42 H new ATOM 0 HB3 GLN A 113 -7.237 -4.667 -0.859 1.00 55.42 H new ATOM 0 HG2 GLN A 113 -7.892 -2.228 -1.203 1.00 54.44 H new ATOM 0 HG3 GLN A 113 -9.089 -2.782 -2.357 1.00 54.44 H new ATOM 0 HE21 GLN A 113 -10.930 -3.956 -1.636 1.00 63.45 H new ATOM 0 HE22 GLN A 113 -11.393 -3.972 0.069 1.00 63.45 H new ATOM 1655 N LEU A 114 -5.398 -1.864 -2.891 1.00 41.54 N ATOM 1656 CA LEU A 114 -4.489 -0.831 -2.453 1.00 22.13 C ATOM 1657 C LEU A 114 -5.235 0.197 -1.630 1.00 44.04 C ATOM 1658 O LEU A 114 -6.045 0.964 -2.157 1.00 42.14 O ATOM 1659 CB LEU A 114 -3.821 -0.162 -3.660 1.00 25.44 C ATOM 1660 CG LEU A 114 -2.750 0.886 -3.335 1.00 12.23 C ATOM 1661 CD1 LEU A 114 -1.555 0.240 -2.654 1.00 22.33 C ATOM 1662 CD2 LEU A 114 -2.316 1.616 -4.596 1.00 13.44 C ATOM 0 H LEU A 114 -5.875 -1.665 -3.771 1.00 41.54 H new ATOM 0 HA LEU A 114 -3.713 -1.283 -1.835 1.00 22.13 H new ATOM 0 HB2 LEU A 114 -3.368 -0.938 -4.277 1.00 25.44 H new ATOM 0 HB3 LEU A 114 -4.595 0.312 -4.263 1.00 25.44 H new ATOM 0 HG LEU A 114 -3.182 1.614 -2.648 1.00 12.23 H new ATOM 0 HD11 LEU A 114 -0.807 1.001 -2.432 1.00 22.33 H new ATOM 0 HD12 LEU A 114 -1.877 -0.233 -1.726 1.00 22.33 H new ATOM 0 HD13 LEU A 114 -1.123 -0.512 -3.314 1.00 22.33 H new ATOM 0 HD21 LEU A 114 -1.556 2.356 -4.345 1.00 13.44 H new ATOM 0 HD22 LEU A 114 -1.905 0.900 -5.308 1.00 13.44 H new ATOM 0 HD23 LEU A 114 -3.176 2.117 -5.041 1.00 13.44 H new ATOM 1674 N GLN A 115 -4.995 0.174 -0.335 1.00 4.21 N ATOM 1675 CA GLN A 115 -5.624 1.106 0.574 1.00 64.53 C ATOM 1676 C GLN A 115 -4.686 2.245 0.907 1.00 3.33 C ATOM 1677 O GLN A 115 -3.496 2.037 1.136 1.00 61.41 O ATOM 1678 CB GLN A 115 -6.065 0.415 1.863 1.00 4.43 C ATOM 1679 CG GLN A 115 -7.218 -0.550 1.694 1.00 33.31 C ATOM 1680 CD GLN A 115 -7.728 -1.083 3.019 1.00 55.11 C ATOM 1681 OE1 GLN A 115 -8.910 -1.382 3.167 1.00 0.01 O ATOM 1682 NE2 GLN A 115 -6.844 -1.209 3.994 1.00 72.10 N ATOM 0 H GLN A 115 -4.362 -0.488 0.114 1.00 4.21 H new ATOM 0 HA GLN A 115 -6.507 1.502 0.073 1.00 64.53 H new ATOM 0 HB2 GLN A 115 -5.215 -0.124 2.281 1.00 4.43 H new ATOM 0 HB3 GLN A 115 -6.348 1.176 2.590 1.00 4.43 H new ATOM 0 HG2 GLN A 115 -8.032 -0.050 1.170 1.00 33.31 H new ATOM 0 HG3 GLN A 115 -6.901 -1.384 1.068 1.00 33.31 H new ATOM 0 HE21 GLN A 115 -5.870 -0.951 3.836 1.00 72.10 H new ATOM 0 HE22 GLN A 115 -7.136 -1.564 4.904 1.00 72.10 H new ATOM 1691 N MET A 116 -5.224 3.434 0.940 1.00 73.44 N ATOM 1692 CA MET A 116 -4.467 4.614 1.281 1.00 1.33 C ATOM 1693 C MET A 116 -5.316 5.520 2.143 1.00 42.10 C ATOM 1694 O MET A 116 -6.538 5.575 1.981 1.00 73.00 O ATOM 1695 CB MET A 116 -3.981 5.353 0.027 1.00 35.04 C ATOM 1696 CG MET A 116 -2.828 4.659 -0.691 1.00 61.14 C ATOM 1697 SD MET A 116 -2.281 5.543 -2.161 1.00 62.01 S ATOM 1698 CE MET A 116 -3.720 5.382 -3.217 1.00 24.34 C ATOM 0 H MET A 116 -6.206 3.615 0.730 1.00 73.44 H new ATOM 0 HA MET A 116 -3.580 4.311 1.838 1.00 1.33 H new ATOM 0 HB2 MET A 116 -4.816 5.460 -0.666 1.00 35.04 H new ATOM 0 HB3 MET A 116 -3.668 6.359 0.308 1.00 35.04 H new ATOM 0 HG2 MET A 116 -1.989 4.555 -0.003 1.00 61.14 H new ATOM 0 HG3 MET A 116 -3.136 3.652 -0.973 1.00 61.14 H new ATOM 0 HE1 MET A 116 -3.438 5.585 -4.250 1.00 24.34 H new ATOM 0 HE2 MET A 116 -4.115 4.369 -3.142 1.00 24.34 H new ATOM 0 HE3 MET A 116 -4.483 6.094 -2.903 1.00 24.34 H new ATOM 1708 N VAL A 117 -4.687 6.208 3.060 1.00 13.31 N ATOM 1709 CA VAL A 117 -5.399 7.100 3.954 1.00 74.32 C ATOM 1710 C VAL A 117 -5.105 8.539 3.589 1.00 11.44 C ATOM 1711 O VAL A 117 -4.008 9.040 3.851 1.00 41.23 O ATOM 1712 CB VAL A 117 -5.013 6.862 5.433 1.00 14.32 C ATOM 1713 CG1 VAL A 117 -5.850 7.736 6.359 1.00 72.52 C ATOM 1714 CG2 VAL A 117 -5.166 5.395 5.797 1.00 1.43 C ATOM 0 H VAL A 117 -3.679 6.171 3.212 1.00 13.31 H new ATOM 0 HA VAL A 117 -6.463 6.893 3.842 1.00 74.32 H new ATOM 0 HB VAL A 117 -3.966 7.139 5.560 1.00 14.32 H new ATOM 0 HG11 VAL A 117 -5.561 7.551 7.394 1.00 72.52 H new ATOM 0 HG12 VAL A 117 -5.683 8.786 6.118 1.00 72.52 H new ATOM 0 HG13 VAL A 117 -6.906 7.497 6.229 1.00 72.52 H new ATOM 0 HG21 VAL A 117 -4.890 5.248 6.841 1.00 1.43 H new ATOM 0 HG22 VAL A 117 -6.202 5.090 5.649 1.00 1.43 H new ATOM 0 HG23 VAL A 117 -4.516 4.793 5.162 1.00 1.43 H new ATOM 1724 N SER A 118 -6.063 9.201 2.961 1.00 1.44 N ATOM 1725 CA SER A 118 -5.897 10.586 2.563 1.00 13.35 C ATOM 1726 C SER A 118 -7.261 11.268 2.414 1.00 54.02 C ATOM 1727 O SER A 118 -8.241 10.638 1.991 1.00 51.32 O ATOM 1728 CB SER A 118 -5.127 10.671 1.232 1.00 23.10 C ATOM 1729 OG SER A 118 -3.852 10.060 1.335 1.00 75.45 O ATOM 0 H SER A 118 -6.967 8.798 2.716 1.00 1.44 H new ATOM 0 HA SER A 118 -5.328 11.099 3.338 1.00 13.35 H new ATOM 0 HB2 SER A 118 -5.703 10.185 0.444 1.00 23.10 H new ATOM 0 HB3 SER A 118 -5.010 11.715 0.943 1.00 23.10 H new ATOM 0 HG SER A 118 -3.387 10.127 0.475 1.00 75.45 H new ATOM 1735 N PRO A 119 -7.341 12.553 2.788 1.00 24.33 N ATOM 1736 CA PRO A 119 -8.564 13.362 2.675 1.00 72.04 C ATOM 1737 C PRO A 119 -8.939 13.639 1.218 1.00 30.21 C ATOM 1738 O PRO A 119 -8.224 13.244 0.291 1.00 2.32 O ATOM 1739 CB PRO A 119 -8.200 14.666 3.389 1.00 21.51 C ATOM 1740 CG PRO A 119 -6.723 14.748 3.280 1.00 63.50 C ATOM 1741 CD PRO A 119 -6.230 13.334 3.366 1.00 21.14 C ATOM 0 HA PRO A 119 -9.429 12.855 3.104 1.00 72.04 H new ATOM 0 HB2 PRO A 119 -8.681 15.524 2.919 1.00 21.51 H new ATOM 0 HB3 PRO A 119 -8.521 14.652 4.431 1.00 21.51 H new ATOM 0 HG2 PRO A 119 -6.425 15.210 2.339 1.00 63.50 H new ATOM 0 HG3 PRO A 119 -6.305 15.358 4.081 1.00 63.50 H new ATOM 0 HD2 PRO A 119 -5.306 13.195 2.805 1.00 21.14 H new ATOM 0 HD3 PRO A 119 -6.025 13.041 4.396 1.00 21.14 H new ATOM 1749 N HIS A 120 -10.056 14.315 1.014 1.00 40.13 N ATOM 1750 CA HIS A 120 -10.507 14.633 -0.330 1.00 74.53 C ATOM 1751 C HIS A 120 -9.843 15.912 -0.797 1.00 51.34 C ATOM 1752 O HIS A 120 -10.092 16.997 -0.260 1.00 35.21 O ATOM 1753 CB HIS A 120 -12.032 14.786 -0.383 1.00 32.45 C ATOM 1754 CG HIS A 120 -12.787 13.498 -0.261 1.00 64.41 C ATOM 1755 ND1 HIS A 120 -13.196 12.968 0.944 1.00 54.23 N ATOM 1756 CD2 HIS A 120 -13.223 12.637 -1.210 1.00 52.32 C ATOM 1757 CE1 HIS A 120 -13.846 11.843 0.730 1.00 53.14 C ATOM 1758 NE2 HIS A 120 -13.879 11.618 -0.569 1.00 70.53 N ATOM 0 H HIS A 120 -10.666 14.653 1.759 1.00 40.13 H new ATOM 0 HA HIS A 120 -10.229 13.811 -0.990 1.00 74.53 H new ATOM 0 HB2 HIS A 120 -12.346 15.455 0.418 1.00 32.45 H new ATOM 0 HB3 HIS A 120 -12.305 15.265 -1.323 1.00 32.45 H new ATOM 0 HD2 HIS A 120 -13.080 12.735 -2.276 1.00 52.32 H new ATOM 0 HE1 HIS A 120 -14.279 11.211 1.491 1.00 53.14 H new ATOM 0 HE2 HIS A 120 -14.320 10.818 -1.022 1.00 70.53 H new ATOM 1767 N SER A 121 -8.996 15.771 -1.791 1.00 45.13 N ATOM 1768 CA SER A 121 -8.220 16.863 -2.320 1.00 71.24 C ATOM 1769 C SER A 121 -7.938 16.611 -3.792 1.00 10.22 C ATOM 1770 O SER A 121 -8.090 15.483 -4.268 1.00 52.32 O ATOM 1771 CB SER A 121 -6.899 16.979 -1.536 1.00 53.35 C ATOM 1772 OG SER A 121 -6.049 17.973 -2.083 1.00 11.21 O ATOM 0 H SER A 121 -8.826 14.881 -2.259 1.00 45.13 H new ATOM 0 HA SER A 121 -8.774 17.796 -2.218 1.00 71.24 H new ATOM 0 HB2 SER A 121 -7.114 17.217 -0.494 1.00 53.35 H new ATOM 0 HB3 SER A 121 -6.386 16.017 -1.544 1.00 53.35 H new ATOM 0 HG SER A 121 -5.222 18.020 -1.560 1.00 11.21 H new ATOM 1778 N HIS A 122 -7.512 17.646 -4.507 1.00 4.44 N ATOM 1779 CA HIS A 122 -7.204 17.511 -5.926 1.00 43.42 C ATOM 1780 C HIS A 122 -6.021 16.550 -6.122 1.00 2.00 C ATOM 1781 O HIS A 122 -5.834 15.987 -7.193 1.00 14.15 O ATOM 1782 CB HIS A 122 -6.896 18.894 -6.567 1.00 42.13 C ATOM 1783 CG HIS A 122 -5.435 19.263 -6.588 1.00 0.43 C ATOM 1784 ND1 HIS A 122 -4.602 18.929 -7.630 1.00 72.21 N ATOM 1785 CD2 HIS A 122 -4.659 19.905 -5.684 1.00 15.31 C ATOM 1786 CE1 HIS A 122 -3.384 19.335 -7.367 1.00 14.01 C ATOM 1787 NE2 HIS A 122 -3.387 19.933 -6.195 1.00 44.41 N ATOM 0 H HIS A 122 -7.373 18.583 -4.130 1.00 4.44 H new ATOM 0 HA HIS A 122 -8.080 17.098 -6.427 1.00 43.42 H new ATOM 0 HB2 HIS A 122 -7.273 18.898 -7.590 1.00 42.13 H new ATOM 0 HB3 HIS A 122 -7.444 19.663 -6.022 1.00 42.13 H new ATOM 0 HD2 HIS A 122 -4.981 20.317 -4.739 1.00 15.31 H new ATOM 0 HE1 HIS A 122 -2.523 19.201 -8.005 1.00 14.01 H new ATOM 0 HE2 HIS A 122 -2.575 20.350 -5.740 1.00 44.41 H new ATOM 1796 N VAL A 123 -5.227 16.376 -5.066 1.00 61.01 N ATOM 1797 CA VAL A 123 -4.071 15.489 -5.105 1.00 32.35 C ATOM 1798 C VAL A 123 -4.525 14.035 -5.205 1.00 71.21 C ATOM 1799 O VAL A 123 -3.877 13.213 -5.849 1.00 11.23 O ATOM 1800 CB VAL A 123 -3.194 15.672 -3.841 1.00 53.21 C ATOM 1801 CG1 VAL A 123 -1.956 14.790 -3.895 1.00 42.15 C ATOM 1802 CG2 VAL A 123 -2.805 17.133 -3.672 1.00 61.45 C ATOM 0 H VAL A 123 -5.367 16.842 -4.169 1.00 61.01 H new ATOM 0 HA VAL A 123 -3.478 15.744 -5.983 1.00 32.35 H new ATOM 0 HB VAL A 123 -3.782 15.365 -2.976 1.00 53.21 H new ATOM 0 HG11 VAL A 123 -1.362 14.942 -2.994 1.00 42.15 H new ATOM 0 HG12 VAL A 123 -2.257 13.744 -3.960 1.00 42.15 H new ATOM 0 HG13 VAL A 123 -1.361 15.051 -4.770 1.00 42.15 H new ATOM 0 HG21 VAL A 123 -2.189 17.245 -2.780 1.00 61.45 H new ATOM 0 HG22 VAL A 123 -2.242 17.463 -4.545 1.00 61.45 H new ATOM 0 HG23 VAL A 123 -3.705 17.740 -3.570 1.00 61.45 H new ATOM 1812 N ARG A 124 -5.666 13.744 -4.595 1.00 73.22 N ATOM 1813 CA ARG A 124 -6.224 12.395 -4.598 1.00 53.04 C ATOM 1814 C ARG A 124 -6.550 11.947 -6.025 1.00 12.34 C ATOM 1815 O ARG A 124 -6.552 10.753 -6.328 1.00 53.03 O ATOM 1816 CB ARG A 124 -7.464 12.323 -3.700 1.00 52.12 C ATOM 1817 CG ARG A 124 -8.120 10.953 -3.652 1.00 51.45 C ATOM 1818 CD ARG A 124 -9.213 10.904 -2.604 1.00 4.10 C ATOM 1819 NE ARG A 124 -9.989 9.669 -2.676 1.00 1.44 N ATOM 1820 CZ ARG A 124 -10.785 9.225 -1.708 1.00 13.41 C ATOM 1821 NH1 ARG A 124 -10.884 9.895 -0.561 1.00 12.51 N ATOM 1822 NH2 ARG A 124 -11.473 8.109 -1.879 1.00 1.44 N ATOM 0 H ARG A 124 -6.228 14.428 -4.088 1.00 73.22 H new ATOM 0 HA ARG A 124 -5.476 11.712 -4.196 1.00 53.04 H new ATOM 0 HB2 ARG A 124 -7.183 12.615 -2.688 1.00 52.12 H new ATOM 0 HB3 ARG A 124 -8.195 13.051 -4.050 1.00 52.12 H new ATOM 0 HG2 ARG A 124 -8.539 10.713 -4.629 1.00 51.45 H new ATOM 0 HG3 ARG A 124 -7.368 10.195 -3.433 1.00 51.45 H new ATOM 0 HD2 ARG A 124 -8.768 10.995 -1.613 1.00 4.10 H new ATOM 0 HD3 ARG A 124 -9.878 11.758 -2.735 1.00 4.10 H new ATOM 0 HE ARG A 124 -9.915 9.110 -3.526 1.00 1.44 H new ATOM 0 HH11 ARG A 124 -10.348 10.752 -0.423 1.00 12.51 H new ATOM 0 HH12 ARG A 124 -11.496 9.551 0.179 1.00 12.51 H new ATOM 0 HH21 ARG A 124 -11.393 7.589 -2.753 1.00 1.44 H new ATOM 0 HH22 ARG A 124 -12.084 7.768 -1.137 1.00 1.44 H new ATOM 1836 N ALA A 125 -6.806 12.919 -6.898 1.00 1.32 N ATOM 1837 CA ALA A 125 -7.070 12.641 -8.302 1.00 22.44 C ATOM 1838 C ALA A 125 -5.851 11.991 -8.939 1.00 3.14 C ATOM 1839 O ALA A 125 -5.968 11.043 -9.708 1.00 10.32 O ATOM 1840 CB ALA A 125 -7.424 13.928 -9.033 1.00 13.11 C ATOM 0 H ALA A 125 -6.836 13.909 -6.653 1.00 1.32 H new ATOM 0 HA ALA A 125 -7.914 11.955 -8.376 1.00 22.44 H new ATOM 0 HB1 ALA A 125 -7.620 13.708 -10.083 1.00 13.11 H new ATOM 0 HB2 ALA A 125 -8.313 14.369 -8.583 1.00 13.11 H new ATOM 0 HB3 ALA A 125 -6.593 14.629 -8.958 1.00 13.11 H new ATOM 1846 N ALA A 126 -4.678 12.497 -8.579 1.00 51.11 N ATOM 1847 CA ALA A 126 -3.423 11.978 -9.098 1.00 64.13 C ATOM 1848 C ALA A 126 -3.145 10.581 -8.559 1.00 1.51 C ATOM 1849 O ALA A 126 -2.656 9.716 -9.288 1.00 73.31 O ATOM 1850 CB ALA A 126 -2.279 12.921 -8.752 1.00 43.41 C ATOM 0 H ALA A 126 -4.572 13.272 -7.925 1.00 51.11 H new ATOM 0 HA ALA A 126 -3.505 11.910 -10.183 1.00 64.13 H new ATOM 0 HB1 ALA A 126 -1.345 12.520 -9.147 1.00 43.41 H new ATOM 0 HB2 ALA A 126 -2.469 13.900 -9.192 1.00 43.41 H new ATOM 0 HB3 ALA A 126 -2.203 13.019 -7.669 1.00 43.41 H new ATOM 1856 N LEU A 127 -3.463 10.361 -7.284 1.00 35.40 N ATOM 1857 CA LEU A 127 -3.293 9.041 -6.673 1.00 74.31 C ATOM 1858 C LEU A 127 -4.177 8.020 -7.371 1.00 32.11 C ATOM 1859 O LEU A 127 -3.761 6.894 -7.630 1.00 3.31 O ATOM 1860 CB LEU A 127 -3.632 9.065 -5.167 1.00 24.34 C ATOM 1861 CG LEU A 127 -2.523 9.543 -4.213 1.00 34.40 C ATOM 1862 CD1 LEU A 127 -2.234 11.019 -4.396 1.00 41.22 C ATOM 1863 CD2 LEU A 127 -2.906 9.251 -2.770 1.00 12.24 C ATOM 0 H LEU A 127 -3.837 11.073 -6.657 1.00 35.40 H new ATOM 0 HA LEU A 127 -2.246 8.761 -6.786 1.00 74.31 H new ATOM 0 HB2 LEU A 127 -4.502 9.706 -5.025 1.00 24.34 H new ATOM 0 HB3 LEU A 127 -3.926 8.059 -4.869 1.00 24.34 H new ATOM 0 HG LEU A 127 -1.613 8.994 -4.455 1.00 34.40 H new ATOM 0 HD11 LEU A 127 -1.446 11.324 -3.707 1.00 41.22 H new ATOM 0 HD12 LEU A 127 -1.911 11.202 -5.421 1.00 41.22 H new ATOM 0 HD13 LEU A 127 -3.137 11.595 -4.192 1.00 41.22 H new ATOM 0 HD21 LEU A 127 -2.112 9.594 -2.106 1.00 12.24 H new ATOM 0 HD22 LEU A 127 -3.833 9.771 -2.527 1.00 12.24 H new ATOM 0 HD23 LEU A 127 -3.048 8.178 -2.641 1.00 12.24 H new ATOM 1875 N GLU A 128 -5.394 8.434 -7.688 1.00 21.42 N ATOM 1876 CA GLU A 128 -6.350 7.564 -8.339 1.00 14.20 C ATOM 1877 C GLU A 128 -5.961 7.323 -9.802 1.00 52.45 C ATOM 1878 O GLU A 128 -6.006 6.197 -10.282 1.00 34.42 O ATOM 1879 CB GLU A 128 -7.754 8.163 -8.242 1.00 33.31 C ATOM 1880 CG GLU A 128 -8.866 7.215 -8.659 1.00 50.50 C ATOM 1881 CD GLU A 128 -10.231 7.850 -8.553 1.00 4.22 C ATOM 1882 OE1 GLU A 128 -10.762 7.951 -7.432 1.00 12.20 O ATOM 1883 OE2 GLU A 128 -10.784 8.261 -9.594 1.00 60.44 O ATOM 0 H GLU A 128 -5.741 9.375 -7.502 1.00 21.42 H new ATOM 0 HA GLU A 128 -6.346 6.600 -7.830 1.00 14.20 H new ATOM 0 HB2 GLU A 128 -7.930 8.482 -7.215 1.00 33.31 H new ATOM 0 HB3 GLU A 128 -7.800 9.056 -8.866 1.00 33.31 H new ATOM 0 HG2 GLU A 128 -8.698 6.891 -9.686 1.00 50.50 H new ATOM 0 HG3 GLU A 128 -8.833 6.323 -8.033 1.00 50.50 H new ATOM 1890 N ALA A 129 -5.579 8.389 -10.505 1.00 74.34 N ATOM 1891 CA ALA A 129 -5.156 8.289 -11.907 1.00 73.41 C ATOM 1892 C ALA A 129 -3.922 7.399 -12.085 1.00 22.00 C ATOM 1893 O ALA A 129 -3.624 6.949 -13.196 1.00 3.03 O ATOM 1894 CB ALA A 129 -4.894 9.675 -12.481 1.00 24.31 C ATOM 0 H ALA A 129 -5.553 9.336 -10.127 1.00 74.34 H new ATOM 0 HA ALA A 129 -5.973 7.818 -12.454 1.00 73.41 H new ATOM 0 HB1 ALA A 129 -4.581 9.585 -13.521 1.00 24.31 H new ATOM 0 HB2 ALA A 129 -5.806 10.270 -12.427 1.00 24.31 H new ATOM 0 HB3 ALA A 129 -4.107 10.164 -11.907 1.00 24.31 H new ATOM 1900 N ALA A 130 -3.199 7.163 -11.008 1.00 24.02 N ATOM 1901 CA ALA A 130 -2.026 6.308 -11.055 1.00 4.13 C ATOM 1902 C ALA A 130 -2.412 4.830 -11.040 1.00 23.03 C ATOM 1903 O ALA A 130 -1.624 3.968 -11.436 1.00 2.42 O ATOM 1904 CB ALA A 130 -1.099 6.621 -9.894 1.00 52.45 C ATOM 0 H ALA A 130 -3.403 7.552 -10.087 1.00 24.02 H new ATOM 0 HA ALA A 130 -1.504 6.508 -11.991 1.00 4.13 H new ATOM 0 HB1 ALA A 130 -0.224 5.973 -9.942 1.00 52.45 H new ATOM 0 HB2 ALA A 130 -0.782 7.662 -9.952 1.00 52.45 H new ATOM 0 HB3 ALA A 130 -1.624 6.453 -8.954 1.00 52.45 H new ATOM 1910 N LEU A 131 -3.637 4.550 -10.621 1.00 41.01 N ATOM 1911 CA LEU A 131 -4.109 3.176 -10.459 1.00 43.41 C ATOM 1912 C LEU A 131 -4.256 2.426 -11.804 1.00 53.23 C ATOM 1913 O LEU A 131 -3.739 1.315 -11.941 1.00 35.21 O ATOM 1914 CB LEU A 131 -5.426 3.149 -9.672 1.00 72.35 C ATOM 1915 CG LEU A 131 -5.381 3.806 -8.289 1.00 25.55 C ATOM 1916 CD1 LEU A 131 -6.774 3.889 -7.692 1.00 64.50 C ATOM 1917 CD2 LEU A 131 -4.448 3.041 -7.361 1.00 3.43 C ATOM 0 H LEU A 131 -4.330 5.260 -10.384 1.00 41.01 H new ATOM 0 HA LEU A 131 -3.344 2.645 -9.892 1.00 43.41 H new ATOM 0 HB2 LEU A 131 -6.194 3.645 -10.266 1.00 72.35 H new ATOM 0 HB3 LEU A 131 -5.736 2.111 -9.552 1.00 72.35 H new ATOM 0 HG LEU A 131 -4.995 4.819 -8.405 1.00 25.55 H new ATOM 0 HD11 LEU A 131 -6.721 4.359 -6.710 1.00 64.50 H new ATOM 0 HD12 LEU A 131 -7.415 4.483 -8.344 1.00 64.50 H new ATOM 0 HD13 LEU A 131 -7.188 2.885 -7.593 1.00 64.50 H new ATOM 0 HD21 LEU A 131 -4.430 3.524 -6.384 1.00 3.43 H new ATOM 0 HD22 LEU A 131 -4.803 2.016 -7.253 1.00 3.43 H new ATOM 0 HD23 LEU A 131 -3.442 3.035 -7.781 1.00 3.43 H new ATOM 1929 N PRO A 132 -4.962 3.010 -12.823 1.00 21.01 N ATOM 1930 CA PRO A 132 -5.142 2.362 -14.133 1.00 51.24 C ATOM 1931 C PRO A 132 -3.816 1.973 -14.791 1.00 53.30 C ATOM 1932 O PRO A 132 -3.757 1.025 -15.570 1.00 61.31 O ATOM 1933 CB PRO A 132 -5.872 3.422 -14.980 1.00 54.32 C ATOM 1934 CG PRO A 132 -5.736 4.696 -14.217 1.00 33.23 C ATOM 1935 CD PRO A 132 -5.657 4.306 -12.775 1.00 64.40 C ATOM 0 HA PRO A 132 -5.693 1.427 -14.037 1.00 51.24 H new ATOM 0 HB2 PRO A 132 -5.427 3.508 -15.972 1.00 54.32 H new ATOM 0 HB3 PRO A 132 -6.920 3.159 -15.122 1.00 54.32 H new ATOM 0 HG2 PRO A 132 -4.843 5.241 -14.523 1.00 33.23 H new ATOM 0 HG3 PRO A 132 -6.588 5.352 -14.398 1.00 33.23 H new ATOM 0 HD2 PRO A 132 -5.104 5.039 -12.188 1.00 64.40 H new ATOM 0 HD3 PRO A 132 -6.646 4.218 -12.326 1.00 64.40 H new ATOM 1943 N MET A 133 -2.762 2.715 -14.492 1.00 41.24 N ATOM 1944 CA MET A 133 -1.445 2.412 -15.034 1.00 50.31 C ATOM 1945 C MET A 133 -0.764 1.334 -14.188 1.00 3.25 C ATOM 1946 O MET A 133 -0.082 0.449 -14.707 1.00 52.31 O ATOM 1947 CB MET A 133 -0.578 3.663 -15.082 1.00 73.44 C ATOM 1948 CG MET A 133 0.753 3.455 -15.790 1.00 11.35 C ATOM 1949 SD MET A 133 1.840 4.878 -15.639 1.00 33.43 S ATOM 1950 CE MET A 133 2.137 4.859 -13.875 1.00 34.31 C ATOM 0 H MET A 133 -2.791 3.530 -13.879 1.00 41.24 H new ATOM 0 HA MET A 133 -1.570 2.042 -16.052 1.00 50.31 H new ATOM 0 HB2 MET A 133 -1.128 4.457 -15.587 1.00 73.44 H new ATOM 0 HB3 MET A 133 -0.389 4.003 -14.064 1.00 73.44 H new ATOM 0 HG2 MET A 133 1.249 2.577 -15.375 1.00 11.35 H new ATOM 0 HG3 MET A 133 0.572 3.250 -16.845 1.00 11.35 H new ATOM 0 HE1 MET A 133 2.826 5.662 -13.613 1.00 34.31 H new ATOM 0 HE2 MET A 133 1.195 5.003 -13.346 1.00 34.31 H new ATOM 0 HE3 MET A 133 2.571 3.901 -13.589 1.00 34.31 H new ATOM 1960 N LEU A 134 -0.988 1.411 -12.876 1.00 21.50 N ATOM 1961 CA LEU A 134 -0.374 0.495 -11.921 1.00 14.34 C ATOM 1962 C LEU A 134 -0.881 -0.920 -12.128 1.00 52.44 C ATOM 1963 O LEU A 134 -0.106 -1.873 -12.081 1.00 33.41 O ATOM 1964 CB LEU A 134 -0.655 0.956 -10.482 1.00 44.45 C ATOM 1965 CG LEU A 134 -0.201 0.005 -9.362 1.00 71.53 C ATOM 1966 CD1 LEU A 134 1.303 -0.220 -9.409 1.00 44.30 C ATOM 1967 CD2 LEU A 134 -0.618 0.547 -8.005 1.00 11.41 C ATOM 0 H LEU A 134 -1.598 2.108 -12.449 1.00 21.50 H new ATOM 0 HA LEU A 134 0.703 0.500 -12.088 1.00 14.34 H new ATOM 0 HB2 LEU A 134 -0.169 1.920 -10.330 1.00 44.45 H new ATOM 0 HB3 LEU A 134 -1.728 1.120 -10.378 1.00 44.45 H new ATOM 0 HG LEU A 134 -0.688 -0.957 -9.518 1.00 71.53 H new ATOM 0 HD11 LEU A 134 1.595 -0.896 -8.606 1.00 44.30 H new ATOM 0 HD12 LEU A 134 1.576 -0.658 -10.369 1.00 44.30 H new ATOM 0 HD13 LEU A 134 1.817 0.733 -9.286 1.00 44.30 H new ATOM 0 HD21 LEU A 134 -0.289 -0.138 -7.223 1.00 11.41 H new ATOM 0 HD22 LEU A 134 -0.161 1.524 -7.847 1.00 11.41 H new ATOM 0 HD23 LEU A 134 -1.703 0.644 -7.970 1.00 11.41 H new ATOM 1979 N ARG A 135 -2.186 -1.050 -12.359 1.00 33.21 N ATOM 1980 CA ARG A 135 -2.792 -2.359 -12.598 1.00 43.41 C ATOM 1981 C ARG A 135 -2.103 -3.073 -13.757 1.00 34.50 C ATOM 1982 O ARG A 135 -1.927 -4.275 -13.721 1.00 4.01 O ATOM 1983 CB ARG A 135 -4.296 -2.238 -12.870 1.00 23.14 C ATOM 1984 CG ARG A 135 -4.639 -1.484 -14.137 1.00 31.32 C ATOM 1985 CD ARG A 135 -6.118 -1.558 -14.447 1.00 43.43 C ATOM 1986 NE ARG A 135 -6.461 -0.803 -15.650 1.00 70.31 N ATOM 1987 CZ ARG A 135 -7.708 -0.540 -16.037 1.00 34.42 C ATOM 1988 NH1 ARG A 135 -8.737 -0.992 -15.326 1.00 34.52 N ATOM 1989 NH2 ARG A 135 -7.926 0.170 -17.137 1.00 74.40 N ATOM 0 H ARG A 135 -2.842 -0.269 -12.386 1.00 33.21 H new ATOM 0 HA ARG A 135 -2.658 -2.951 -11.693 1.00 43.41 H new ATOM 0 HB2 ARG A 135 -4.725 -3.238 -12.929 1.00 23.14 H new ATOM 0 HB3 ARG A 135 -4.768 -1.738 -12.024 1.00 23.14 H new ATOM 0 HG2 ARG A 135 -4.341 -0.441 -14.032 1.00 31.32 H new ATOM 0 HG3 ARG A 135 -4.071 -1.896 -14.971 1.00 31.32 H new ATOM 0 HD2 ARG A 135 -6.410 -2.600 -14.577 1.00 43.43 H new ATOM 0 HD3 ARG A 135 -6.686 -1.171 -13.601 1.00 43.43 H new ATOM 0 HE ARG A 135 -5.697 -0.455 -16.230 1.00 70.31 H new ATOM 0 HH11 ARG A 135 -8.572 -1.541 -14.482 1.00 34.52 H new ATOM 0 HH12 ARG A 135 -9.691 -0.789 -15.624 1.00 34.52 H new ATOM 0 HH21 ARG A 135 -7.138 0.514 -17.686 1.00 74.40 H new ATOM 0 HH22 ARG A 135 -8.881 0.371 -17.433 1.00 74.40 H new ATOM 2003 N THR A 136 -1.699 -2.312 -14.767 1.00 32.53 N ATOM 2004 CA THR A 136 -1.024 -2.869 -15.921 1.00 43.00 C ATOM 2005 C THR A 136 0.317 -3.471 -15.522 1.00 64.43 C ATOM 2006 O THR A 136 0.628 -4.613 -15.864 1.00 2.20 O ATOM 2007 CB THR A 136 -0.804 -1.789 -16.995 1.00 54.24 C ATOM 2008 OG1 THR A 136 -2.048 -1.123 -17.262 1.00 52.30 O ATOM 2009 CG2 THR A 136 -0.274 -2.402 -18.282 1.00 42.15 C ATOM 0 H THR A 136 -1.831 -1.301 -14.805 1.00 32.53 H new ATOM 0 HA THR A 136 -1.658 -3.655 -16.331 1.00 43.00 H new ATOM 0 HB THR A 136 -0.069 -1.076 -16.623 1.00 54.24 H new ATOM 0 HG1 THR A 136 -1.910 -0.433 -17.945 1.00 52.30 H new ATOM 0 HG21 THR A 136 -0.127 -1.618 -19.025 1.00 42.15 H new ATOM 0 HG22 THR A 136 0.677 -2.898 -18.084 1.00 42.15 H new ATOM 0 HG23 THR A 136 -0.991 -3.130 -18.660 1.00 42.15 H new ATOM 2017 N GLN A 137 1.089 -2.709 -14.767 1.00 34.33 N ATOM 2018 CA GLN A 137 2.405 -3.138 -14.340 1.00 21.32 C ATOM 2019 C GLN A 137 2.309 -4.278 -13.334 1.00 23.32 C ATOM 2020 O GLN A 137 3.104 -5.221 -13.371 1.00 11.44 O ATOM 2021 CB GLN A 137 3.166 -1.959 -13.745 1.00 40.32 C ATOM 2022 CG GLN A 137 3.215 -0.760 -14.673 1.00 24.03 C ATOM 2023 CD GLN A 137 4.189 0.301 -14.213 1.00 63.32 C ATOM 2024 OE1 GLN A 137 3.828 1.220 -13.479 1.00 35.23 O ATOM 2025 NE2 GLN A 137 5.431 0.180 -14.637 1.00 13.50 N ATOM 0 H GLN A 137 0.822 -1.782 -14.436 1.00 34.33 H new ATOM 0 HA GLN A 137 2.948 -3.508 -15.210 1.00 21.32 H new ATOM 0 HB2 GLN A 137 2.696 -1.666 -12.806 1.00 40.32 H new ATOM 0 HB3 GLN A 137 4.183 -2.271 -13.509 1.00 40.32 H new ATOM 0 HG2 GLN A 137 3.493 -1.092 -15.673 1.00 24.03 H new ATOM 0 HG3 GLN A 137 2.219 -0.324 -14.748 1.00 24.03 H new ATOM 0 HE21 GLN A 137 5.689 -0.597 -15.245 1.00 13.50 H new ATOM 0 HE22 GLN A 137 6.134 0.864 -14.357 1.00 13.50 H new ATOM 2034 N LEU A 138 1.339 -4.187 -12.439 1.00 73.34 N ATOM 2035 CA LEU A 138 1.111 -5.225 -11.449 1.00 34.32 C ATOM 2036 C LEU A 138 0.643 -6.513 -12.127 1.00 73.33 C ATOM 2037 O LEU A 138 1.054 -7.609 -11.748 1.00 64.24 O ATOM 2038 CB LEU A 138 0.078 -4.758 -10.418 1.00 24.44 C ATOM 2039 CG LEU A 138 -0.155 -5.700 -9.236 1.00 34.45 C ATOM 2040 CD1 LEU A 138 1.115 -5.856 -8.411 1.00 33.31 C ATOM 2041 CD2 LEU A 138 -1.298 -5.198 -8.369 1.00 52.23 C ATOM 0 H LEU A 138 0.694 -3.399 -12.378 1.00 73.34 H new ATOM 0 HA LEU A 138 2.050 -5.427 -10.933 1.00 34.32 H new ATOM 0 HB2 LEU A 138 0.392 -3.789 -10.030 1.00 24.44 H new ATOM 0 HB3 LEU A 138 -0.873 -4.604 -10.928 1.00 24.44 H new ATOM 0 HG LEU A 138 -0.427 -6.679 -9.630 1.00 34.45 H new ATOM 0 HD11 LEU A 138 0.926 -6.530 -7.576 1.00 33.31 H new ATOM 0 HD12 LEU A 138 1.907 -6.267 -9.037 1.00 33.31 H new ATOM 0 HD13 LEU A 138 1.423 -4.883 -8.029 1.00 33.31 H new ATOM 0 HD21 LEU A 138 -1.448 -5.882 -7.533 1.00 52.23 H new ATOM 0 HD22 LEU A 138 -1.057 -4.206 -7.987 1.00 52.23 H new ATOM 0 HD23 LEU A 138 -2.210 -5.146 -8.964 1.00 52.23 H new ATOM 2053 N ALA A 139 -0.203 -6.363 -13.147 1.00 3.43 N ATOM 2054 CA ALA A 139 -0.724 -7.505 -13.903 1.00 5.33 C ATOM 2055 C ALA A 139 0.404 -8.268 -14.579 1.00 50.42 C ATOM 2056 O ALA A 139 0.323 -9.480 -14.769 1.00 4.31 O ATOM 2057 CB ALA A 139 -1.749 -7.051 -14.930 1.00 53.33 C ATOM 0 H ALA A 139 -0.544 -5.458 -13.471 1.00 3.43 H new ATOM 0 HA ALA A 139 -1.217 -8.176 -13.199 1.00 5.33 H new ATOM 0 HB1 ALA A 139 -2.122 -7.916 -15.479 1.00 53.33 H new ATOM 0 HB2 ALA A 139 -2.578 -6.558 -14.423 1.00 53.33 H new ATOM 0 HB3 ALA A 139 -1.283 -6.353 -15.625 1.00 53.33 H new ATOM 2063 N GLU A 140 1.464 -7.551 -14.931 1.00 22.41 N ATOM 2064 CA GLU A 140 2.636 -8.168 -15.543 1.00 62.04 C ATOM 2065 C GLU A 140 3.397 -9.000 -14.512 1.00 50.31 C ATOM 2066 O GLU A 140 4.248 -9.821 -14.858 1.00 22.23 O ATOM 2067 CB GLU A 140 3.554 -7.110 -16.149 1.00 72.21 C ATOM 2068 CG GLU A 140 2.916 -6.319 -17.277 1.00 4.05 C ATOM 2069 CD GLU A 140 3.896 -5.390 -17.955 1.00 13.11 C ATOM 2070 OE1 GLU A 140 4.701 -5.872 -18.778 1.00 11.52 O ATOM 2071 OE2 GLU A 140 3.877 -4.175 -17.666 1.00 14.22 O ATOM 0 H GLU A 140 1.537 -6.542 -14.804 1.00 22.41 H new ATOM 0 HA GLU A 140 2.296 -8.824 -16.344 1.00 62.04 H new ATOM 0 HB2 GLU A 140 3.865 -6.420 -15.365 1.00 72.21 H new ATOM 0 HB3 GLU A 140 4.456 -7.595 -16.523 1.00 72.21 H new ATOM 0 HG2 GLU A 140 2.505 -7.009 -18.014 1.00 4.05 H new ATOM 0 HG3 GLU A 140 2.082 -5.738 -16.883 1.00 4.05 H new ATOM 2078 N SER A 141 3.066 -8.790 -13.250 1.00 3.04 N ATOM 2079 CA SER A 141 3.678 -9.514 -12.159 1.00 14.11 C ATOM 2080 C SER A 141 2.751 -10.648 -11.702 1.00 64.41 C ATOM 2081 O SER A 141 3.046 -11.359 -10.742 1.00 54.01 O ATOM 2082 CB SER A 141 3.974 -8.552 -10.995 1.00 42.04 C ATOM 2083 OG SER A 141 4.686 -9.196 -9.951 1.00 13.42 O ATOM 0 H SER A 141 2.364 -8.111 -12.956 1.00 3.04 H new ATOM 0 HA SER A 141 4.618 -9.950 -12.496 1.00 14.11 H new ATOM 0 HB2 SER A 141 4.553 -7.704 -11.362 1.00 42.04 H new ATOM 0 HB3 SER A 141 3.037 -8.153 -10.605 1.00 42.04 H new ATOM 0 HG SER A 141 4.435 -10.143 -9.920 1.00 13.42 H new ATOM 2089 N GLY A 142 1.619 -10.791 -12.388 1.00 3.33 N ATOM 2090 CA GLY A 142 0.689 -11.862 -12.082 1.00 22.25 C ATOM 2091 C GLY A 142 -0.451 -11.431 -11.178 1.00 64.44 C ATOM 2092 O GLY A 142 -1.516 -12.046 -11.185 1.00 53.51 O ATOM 0 H GLY A 142 1.330 -10.181 -13.153 1.00 3.33 H new ATOM 0 HA2 GLY A 142 0.277 -12.252 -13.013 1.00 22.25 H new ATOM 0 HA3 GLY A 142 1.231 -12.679 -11.606 1.00 22.25 H new ATOM 2096 N ILE A 143 -0.229 -10.387 -10.396 1.00 63.31 N ATOM 2097 CA ILE A 143 -1.249 -9.892 -9.479 1.00 13.43 C ATOM 2098 C ILE A 143 -2.189 -8.903 -10.181 1.00 13.52 C ATOM 2099 O ILE A 143 -1.781 -8.164 -11.066 1.00 53.31 O ATOM 2100 CB ILE A 143 -0.600 -9.208 -8.245 1.00 3.41 C ATOM 2101 CG1 ILE A 143 0.461 -10.125 -7.628 1.00 54.42 C ATOM 2102 CG2 ILE A 143 -1.656 -8.850 -7.205 1.00 11.22 C ATOM 2103 CD1 ILE A 143 1.228 -9.492 -6.484 1.00 44.11 C ATOM 0 H ILE A 143 0.647 -9.865 -10.376 1.00 63.31 H new ATOM 0 HA ILE A 143 -1.830 -10.751 -9.143 1.00 13.43 H new ATOM 0 HB ILE A 143 -0.121 -8.287 -8.577 1.00 3.41 H new ATOM 0 HG12 ILE A 143 -0.022 -11.034 -7.270 1.00 54.42 H new ATOM 0 HG13 ILE A 143 1.166 -10.423 -8.404 1.00 54.42 H new ATOM 0 HG21 ILE A 143 -1.177 -8.372 -6.350 1.00 11.22 H new ATOM 0 HG22 ILE A 143 -2.382 -8.165 -7.644 1.00 11.22 H new ATOM 0 HG23 ILE A 143 -2.165 -9.756 -6.876 1.00 11.22 H new ATOM 0 HD11 ILE A 143 1.960 -10.202 -6.100 1.00 44.11 H new ATOM 0 HD12 ILE A 143 1.741 -8.599 -6.840 1.00 44.11 H new ATOM 0 HD13 ILE A 143 0.535 -9.219 -5.688 1.00 44.11 H new ATOM 2115 N GLN A 144 -3.438 -8.887 -9.743 1.00 75.11 N ATOM 2116 CA GLN A 144 -4.470 -8.063 -10.361 1.00 64.21 C ATOM 2117 C GLN A 144 -4.923 -6.977 -9.402 1.00 55.30 C ATOM 2118 O GLN A 144 -5.423 -7.270 -8.317 1.00 13.53 O ATOM 2119 CB GLN A 144 -5.685 -8.919 -10.766 1.00 72.25 C ATOM 2120 CG GLN A 144 -5.554 -9.669 -12.096 1.00 61.11 C ATOM 2121 CD GLN A 144 -4.297 -10.502 -12.204 1.00 51.03 C ATOM 2122 OE1 GLN A 144 -3.292 -10.060 -12.761 1.00 12.45 O ATOM 2123 NE2 GLN A 144 -4.330 -11.700 -11.657 1.00 73.12 N ATOM 0 H GLN A 144 -3.766 -9.442 -8.952 1.00 75.11 H new ATOM 0 HA GLN A 144 -4.043 -7.606 -11.254 1.00 64.21 H new ATOM 0 HB2 GLN A 144 -5.873 -9.646 -9.976 1.00 72.25 H new ATOM 0 HB3 GLN A 144 -6.561 -8.272 -10.819 1.00 72.25 H new ATOM 0 HG2 GLN A 144 -6.421 -10.317 -12.224 1.00 61.11 H new ATOM 0 HG3 GLN A 144 -5.572 -8.948 -12.913 1.00 61.11 H new ATOM 0 HE21 GLN A 144 -5.182 -12.031 -11.204 1.00 73.12 H new ATOM 0 HE22 GLN A 144 -3.503 -12.297 -11.686 1.00 73.12 H new ATOM 2132 N LEU A 145 -4.738 -5.728 -9.787 1.00 44.24 N ATOM 2133 CA LEU A 145 -5.185 -4.618 -8.964 1.00 61.21 C ATOM 2134 C LEU A 145 -6.693 -4.420 -9.134 1.00 61.14 C ATOM 2135 O LEU A 145 -7.489 -5.078 -8.460 1.00 70.21 O ATOM 2136 CB LEU A 145 -4.423 -3.325 -9.313 1.00 4.41 C ATOM 2137 CG LEU A 145 -4.760 -2.093 -8.462 1.00 65.32 C ATOM 2138 CD1 LEU A 145 -4.329 -2.298 -7.018 1.00 12.52 C ATOM 2139 CD2 LEU A 145 -4.112 -0.848 -9.044 1.00 4.25 C ATOM 0 H LEU A 145 -4.284 -5.457 -10.659 1.00 44.24 H new ATOM 0 HA LEU A 145 -4.974 -4.854 -7.921 1.00 61.21 H new ATOM 0 HB2 LEU A 145 -3.355 -3.522 -9.224 1.00 4.41 H new ATOM 0 HB3 LEU A 145 -4.617 -3.084 -10.358 1.00 4.41 H new ATOM 0 HG LEU A 145 -5.841 -1.956 -8.476 1.00 65.32 H new ATOM 0 HD11 LEU A 145 -4.578 -1.412 -6.435 1.00 12.52 H new ATOM 0 HD12 LEU A 145 -4.847 -3.163 -6.603 1.00 12.52 H new ATOM 0 HD13 LEU A 145 -3.253 -2.467 -6.980 1.00 12.52 H new ATOM 0 HD21 LEU A 145 -4.362 0.015 -8.427 1.00 4.25 H new ATOM 0 HD22 LEU A 145 -3.030 -0.977 -9.065 1.00 4.25 H new ATOM 0 HD23 LEU A 145 -4.478 -0.687 -10.058 1.00 4.25 H new ATOM 2151 N GLY A 146 -7.078 -3.544 -10.065 1.00 63.43 N ATOM 2152 CA GLY A 146 -8.486 -3.282 -10.328 1.00 44.44 C ATOM 2153 C GLY A 146 -9.173 -2.527 -9.202 1.00 22.34 C ATOM 2154 O GLY A 146 -9.586 -1.376 -9.370 1.00 55.50 O ATOM 0 H GLY A 146 -6.433 -3.008 -10.645 1.00 63.43 H new ATOM 0 HA2 GLY A 146 -8.576 -2.708 -11.250 1.00 44.44 H new ATOM 0 HA3 GLY A 146 -9.001 -4.229 -10.490 1.00 44.44 H new ATOM 2158 N GLN A 147 -9.286 -3.171 -8.066 1.00 63.34 N ATOM 2159 CA GLN A 147 -9.938 -2.606 -6.910 1.00 52.23 C ATOM 2160 C GLN A 147 -8.950 -1.790 -6.072 1.00 52.41 C ATOM 2161 O GLN A 147 -7.798 -2.185 -5.883 1.00 63.30 O ATOM 2162 CB GLN A 147 -10.549 -3.733 -6.080 1.00 40.30 C ATOM 2163 CG GLN A 147 -11.164 -3.295 -4.771 1.00 1.22 C ATOM 2164 CD GLN A 147 -11.769 -4.453 -4.020 1.00 74.10 C ATOM 2165 OE1 GLN A 147 -10.950 -5.147 -3.259 1.00 74.52 O flip ATOM 2166 NE2 GLN A 147 -12.953 -4.745 -4.151 1.00 41.05 N flip ATOM 0 H GLN A 147 -8.924 -4.113 -7.917 1.00 63.34 H new ATOM 0 HA GLN A 147 -10.728 -1.930 -7.238 1.00 52.23 H new ATOM 0 HB2 GLN A 147 -11.314 -4.230 -6.676 1.00 40.30 H new ATOM 0 HB3 GLN A 147 -9.776 -4.473 -5.872 1.00 40.30 H new ATOM 0 HG2 GLN A 147 -10.402 -2.819 -4.153 1.00 1.22 H new ATOM 0 HG3 GLN A 147 -11.932 -2.546 -4.963 1.00 1.22 H new ATOM 0 HE21 GLN A 147 -13.554 -4.180 -4.751 1.00 41.05 H new ATOM 0 HE22 GLN A 147 -13.336 -5.553 -3.660 1.00 41.05 H new ATOM 2175 N SER A 148 -9.402 -0.651 -5.585 1.00 11.11 N ATOM 2176 CA SER A 148 -8.578 0.224 -4.775 1.00 5.54 C ATOM 2177 C SER A 148 -9.453 0.965 -3.771 1.00 42.31 C ATOM 2178 O SER A 148 -10.665 1.082 -3.967 1.00 13.14 O ATOM 2179 CB SER A 148 -7.833 1.214 -5.668 1.00 23.21 C ATOM 2180 OG SER A 148 -7.109 0.533 -6.687 1.00 24.15 O ATOM 0 H SER A 148 -10.350 -0.307 -5.740 1.00 11.11 H new ATOM 0 HA SER A 148 -7.844 -0.371 -4.232 1.00 5.54 H new ATOM 0 HB2 SER A 148 -8.542 1.906 -6.121 1.00 23.21 H new ATOM 0 HB3 SER A 148 -7.147 1.809 -5.065 1.00 23.21 H new ATOM 0 HG SER A 148 -7.531 0.700 -7.556 1.00 24.15 H new ATOM 2186 N SER A 149 -8.854 1.462 -2.709 1.00 42.31 N ATOM 2187 CA SER A 149 -9.605 2.145 -1.680 1.00 2.40 C ATOM 2188 C SER A 149 -8.778 3.267 -1.065 1.00 73.43 C ATOM 2189 O SER A 149 -7.583 3.110 -0.818 1.00 44.51 O ATOM 2190 CB SER A 149 -10.044 1.135 -0.605 1.00 12.40 C ATOM 2191 OG SER A 149 -10.786 1.752 0.439 1.00 3.44 O ATOM 0 H SER A 149 -7.850 1.405 -2.537 1.00 42.31 H new ATOM 0 HA SER A 149 -10.493 2.593 -2.126 1.00 2.40 H new ATOM 0 HB2 SER A 149 -10.649 0.355 -1.067 1.00 12.40 H new ATOM 0 HB3 SER A 149 -9.164 0.648 -0.185 1.00 12.40 H new ATOM 0 HG SER A 149 -11.046 1.076 1.099 1.00 3.44 H new ATOM 2197 N ILE A 150 -9.423 4.391 -0.819 1.00 43.43 N ATOM 2198 CA ILE A 150 -8.775 5.541 -0.228 1.00 2.41 C ATOM 2199 C ILE A 150 -9.701 6.118 0.823 1.00 61.42 C ATOM 2200 O ILE A 150 -10.731 6.711 0.504 1.00 14.13 O ATOM 2201 CB ILE A 150 -8.426 6.639 -1.274 1.00 5.24 C ATOM 2202 CG1 ILE A 150 -7.576 6.053 -2.413 1.00 14.45 C ATOM 2203 CG2 ILE A 150 -7.684 7.792 -0.598 1.00 62.13 C ATOM 2204 CD1 ILE A 150 -7.212 7.057 -3.490 1.00 71.32 C ATOM 0 H ILE A 150 -10.412 4.531 -1.024 1.00 43.43 H new ATOM 0 HA ILE A 150 -7.832 5.212 0.209 1.00 2.41 H new ATOM 0 HB ILE A 150 -9.355 7.018 -1.700 1.00 5.24 H new ATOM 0 HG12 ILE A 150 -6.660 5.638 -1.993 1.00 14.45 H new ATOM 0 HG13 ILE A 150 -8.120 5.226 -2.870 1.00 14.45 H new ATOM 0 HG21 ILE A 150 -7.445 8.555 -1.339 1.00 62.13 H new ATOM 0 HG22 ILE A 150 -8.315 8.225 0.178 1.00 62.13 H new ATOM 0 HG23 ILE A 150 -6.763 7.419 -0.150 1.00 62.13 H new ATOM 0 HD11 ILE A 150 -6.613 6.567 -4.257 1.00 71.32 H new ATOM 0 HD12 ILE A 150 -8.122 7.454 -3.940 1.00 71.32 H new ATOM 0 HD13 ILE A 150 -6.639 7.873 -3.048 1.00 71.32 H new ATOM 2216 N SER A 151 -9.359 5.913 2.061 1.00 71.44 N ATOM 2217 CA SER A 151 -10.195 6.339 3.147 1.00 24.21 C ATOM 2218 C SER A 151 -9.727 7.662 3.719 1.00 75.14 C ATOM 2219 O SER A 151 -8.558 7.817 4.085 1.00 12.41 O ATOM 2220 CB SER A 151 -10.210 5.267 4.226 1.00 63.02 C ATOM 2221 OG SER A 151 -10.596 4.017 3.677 1.00 52.15 O ATOM 0 H SER A 151 -8.497 5.448 2.347 1.00 71.44 H new ATOM 0 HA SER A 151 -11.206 6.487 2.768 1.00 24.21 H new ATOM 0 HB2 SER A 151 -9.222 5.183 4.678 1.00 63.02 H new ATOM 0 HB3 SER A 151 -10.900 5.551 5.020 1.00 63.02 H new ATOM 0 HG SER A 151 -10.599 3.337 4.383 1.00 52.15 H new ATOM 2227 N SER A 152 -10.630 8.616 3.782 1.00 12.11 N ATOM 2228 CA SER A 152 -10.327 9.895 4.365 1.00 51.42 C ATOM 2229 C SER A 152 -10.525 9.831 5.875 1.00 13.32 C ATOM 2230 O SER A 152 -11.544 10.272 6.401 1.00 22.45 O ATOM 2231 CB SER A 152 -11.193 10.984 3.737 1.00 22.13 C ATOM 2232 OG SER A 152 -10.964 11.051 2.333 1.00 21.53 O ATOM 0 H SER A 152 -11.584 8.524 3.433 1.00 12.11 H new ATOM 0 HA SER A 152 -9.285 10.145 4.166 1.00 51.42 H new ATOM 0 HB2 SER A 152 -12.246 10.778 3.931 1.00 22.13 H new ATOM 0 HB3 SER A 152 -10.967 11.947 4.195 1.00 22.13 H new ATOM 0 HG SER A 152 -10.011 10.913 2.150 1.00 21.53 H new ATOM 2238 N GLU A 153 -9.545 9.223 6.545 1.00 30.40 N ATOM 2239 CA GLU A 153 -9.551 9.041 7.994 1.00 52.21 C ATOM 2240 C GLU A 153 -10.688 8.122 8.454 1.00 45.14 C ATOM 2241 O GLU A 153 -11.782 8.581 8.802 1.00 4.24 O ATOM 2242 CB GLU A 153 -9.584 10.382 8.737 1.00 52.22 C ATOM 2243 CG GLU A 153 -8.394 11.277 8.426 1.00 41.35 C ATOM 2244 CD GLU A 153 -8.335 12.494 9.315 1.00 20.43 C ATOM 2245 OE1 GLU A 153 -9.189 13.386 9.164 1.00 41.21 O ATOM 2246 OE2 GLU A 153 -7.427 12.565 10.178 1.00 53.00 O ATOM 0 H GLU A 153 -8.716 8.839 6.090 1.00 30.40 H new ATOM 0 HA GLU A 153 -8.613 8.548 8.250 1.00 52.21 H new ATOM 0 HB2 GLU A 153 -10.502 10.909 8.479 1.00 52.22 H new ATOM 0 HB3 GLU A 153 -9.616 10.193 9.810 1.00 52.22 H new ATOM 0 HG2 GLU A 153 -7.474 10.704 8.539 1.00 41.35 H new ATOM 0 HG3 GLU A 153 -8.445 11.595 7.385 1.00 41.35 H new ATOM 2253 N SER A 154 -10.411 6.824 8.418 1.00 3.42 N ATOM 2254 CA SER A 154 -11.328 5.777 8.867 1.00 64.53 C ATOM 2255 C SER A 154 -12.530 5.600 7.923 1.00 51.42 C ATOM 2256 O SER A 154 -12.520 4.722 7.056 1.00 22.33 O ATOM 2257 CB SER A 154 -11.789 6.030 10.314 1.00 12.35 C ATOM 2258 OG SER A 154 -12.435 4.891 10.865 1.00 60.35 O ATOM 0 H SER A 154 -9.525 6.460 8.069 1.00 3.42 H new ATOM 0 HA SER A 154 -10.772 4.840 8.843 1.00 64.53 H new ATOM 0 HB2 SER A 154 -10.929 6.294 10.929 1.00 12.35 H new ATOM 0 HB3 SER A 154 -12.470 6.881 10.336 1.00 12.35 H new ATOM 0 HG SER A 154 -13.376 4.885 10.592 1.00 60.35 H new ATOM 2264 N PHE A 155 -13.544 6.441 8.072 1.00 70.42 N ATOM 2265 CA PHE A 155 -14.761 6.306 7.280 1.00 13.11 C ATOM 2266 C PHE A 155 -15.123 7.612 6.594 1.00 3.23 C ATOM 2267 O PHE A 155 -14.803 8.693 7.089 1.00 4.52 O ATOM 2268 CB PHE A 155 -15.930 5.849 8.160 1.00 64.43 C ATOM 2269 CG PHE A 155 -15.701 4.538 8.863 1.00 44.12 C ATOM 2270 CD1 PHE A 155 -15.584 3.360 8.144 1.00 34.01 C ATOM 2271 CD2 PHE A 155 -15.612 4.487 10.244 1.00 3.53 C ATOM 2272 CE1 PHE A 155 -15.379 2.157 8.790 1.00 12.35 C ATOM 2273 CE2 PHE A 155 -15.407 3.286 10.895 1.00 3.54 C ATOM 2274 CZ PHE A 155 -15.291 2.120 10.167 1.00 63.30 C ATOM 0 H PHE A 155 -13.550 7.220 8.730 1.00 70.42 H new ATOM 0 HA PHE A 155 -14.570 5.554 6.515 1.00 13.11 H new ATOM 0 HB2 PHE A 155 -16.130 6.618 8.906 1.00 64.43 H new ATOM 0 HB3 PHE A 155 -16.824 5.765 7.542 1.00 64.43 H new ATOM 0 HD1 PHE A 155 -15.654 3.383 7.066 1.00 34.01 H new ATOM 0 HD2 PHE A 155 -15.704 5.397 10.819 1.00 3.53 H new ATOM 0 HE1 PHE A 155 -15.288 1.245 8.218 1.00 12.35 H new ATOM 0 HE2 PHE A 155 -15.338 3.260 11.972 1.00 3.54 H new ATOM 0 HZ PHE A 155 -15.132 1.180 10.674 1.00 63.30 H new ATOM 2284 N ALA A 156 -15.788 7.501 5.455 1.00 61.03 N ATOM 2285 CA ALA A 156 -16.241 8.657 4.699 1.00 13.14 C ATOM 2286 C ALA A 156 -17.364 8.260 3.746 1.00 24.30 C ATOM 2287 O ALA A 156 -17.132 8.010 2.559 1.00 14.32 O ATOM 2288 CB ALA A 156 -15.083 9.292 3.932 1.00 64.41 C ATOM 0 H ALA A 156 -16.029 6.606 5.029 1.00 61.03 H new ATOM 0 HA ALA A 156 -16.627 9.397 5.401 1.00 13.14 H new ATOM 0 HB1 ALA A 156 -15.446 10.155 3.374 1.00 64.41 H new ATOM 0 HB2 ALA A 156 -14.313 9.612 4.634 1.00 64.41 H new ATOM 0 HB3 ALA A 156 -14.662 8.563 3.240 1.00 64.41 H new ATOM 2294 N GLY A 157 -18.573 8.166 4.271 1.00 12.31 N ATOM 2295 CA GLY A 157 -19.700 7.782 3.453 1.00 11.14 C ATOM 2296 C GLY A 157 -21.001 8.385 3.933 1.00 23.31 C ATOM 2297 O GLY A 157 -21.087 8.871 5.061 1.00 45.00 O ATOM 0 H GLY A 157 -18.794 8.349 5.250 1.00 12.31 H new ATOM 0 HA2 GLY A 157 -19.519 8.091 2.424 1.00 11.14 H new ATOM 0 HA3 GLY A 157 -19.787 6.696 3.449 1.00 11.14 H new ATOM 2301 N GLN A 158 -22.014 8.335 3.080 1.00 1.05 N ATOM 2302 CA GLN A 158 -23.340 8.878 3.375 1.00 23.52 C ATOM 2303 C GLN A 158 -24.384 8.142 2.552 1.00 74.14 C ATOM 2304 O GLN A 158 -24.121 7.759 1.408 1.00 4.42 O ATOM 2305 CB GLN A 158 -23.413 10.376 3.040 1.00 71.30 C ATOM 2306 CG GLN A 158 -22.657 11.286 3.993 1.00 54.42 C ATOM 2307 CD GLN A 158 -22.693 12.739 3.562 1.00 4.40 C ATOM 2308 OE1 GLN A 158 -23.757 13.136 2.889 1.00 4.15 O flip ATOM 2309 NE2 GLN A 158 -21.767 13.500 3.832 1.00 51.45 N flip ATOM 0 H GLN A 158 -21.942 7.913 2.154 1.00 1.05 H new ATOM 0 HA GLN A 158 -23.530 8.746 4.440 1.00 23.52 H new ATOM 0 HB2 GLN A 158 -23.024 10.527 2.033 1.00 71.30 H new ATOM 0 HB3 GLN A 158 -24.460 10.679 3.026 1.00 71.30 H new ATOM 0 HG2 GLN A 158 -23.085 11.196 4.992 1.00 54.42 H new ATOM 0 HG3 GLN A 158 -21.620 10.956 4.059 1.00 54.42 H new ATOM 0 HE21 GLN A 158 -20.961 13.157 4.354 1.00 51.45 H new ATOM 0 HE22 GLN A 158 -21.805 14.475 3.534 1.00 51.45 H new ATOM 2318 N GLN A 159 -25.568 7.960 3.120 1.00 33.02 N ATOM 2319 CA GLN A 159 -26.656 7.248 2.446 1.00 15.24 C ATOM 2320 C GLN A 159 -27.999 7.742 2.951 1.00 55.01 C ATOM 2321 O GLN A 159 -28.118 8.181 4.099 1.00 4.00 O ATOM 2322 CB GLN A 159 -26.561 5.731 2.691 1.00 4.31 C ATOM 2323 CG GLN A 159 -25.322 5.070 2.112 1.00 43.24 C ATOM 2324 CD GLN A 159 -25.235 3.595 2.438 1.00 72.52 C ATOM 2325 OE1 GLN A 159 -26.373 2.938 2.548 1.00 44.45 O flip ATOM 2326 NE2 GLN A 159 -24.142 3.051 2.583 1.00 32.10 N flip ATOM 0 H GLN A 159 -25.805 8.297 4.053 1.00 33.02 H new ATOM 0 HA GLN A 159 -26.566 7.443 1.377 1.00 15.24 H new ATOM 0 HB2 GLN A 159 -26.585 5.548 3.765 1.00 4.31 H new ATOM 0 HB3 GLN A 159 -27.443 5.252 2.266 1.00 4.31 H new ATOM 0 HG2 GLN A 159 -25.320 5.198 1.030 1.00 43.24 H new ATOM 0 HG3 GLN A 159 -24.435 5.575 2.495 1.00 43.24 H new ATOM 0 HE21 GLN A 159 -23.285 3.596 2.489 1.00 32.10 H new ATOM 0 HE22 GLN A 159 -24.092 2.055 2.797 1.00 32.10 H new ATOM 2335 N GLN A 160 -29.006 7.666 2.092 1.00 42.45 N ATOM 2336 CA GLN A 160 -30.360 8.099 2.425 1.00 45.30 C ATOM 2337 C GLN A 160 -31.376 7.255 1.675 1.00 72.32 C ATOM 2338 O GLN A 160 -31.010 6.347 0.926 1.00 63.12 O ATOM 2339 CB GLN A 160 -30.570 9.580 2.074 1.00 75.14 C ATOM 2340 CG GLN A 160 -29.802 10.548 2.955 1.00 24.42 C ATOM 2341 CD GLN A 160 -30.047 11.992 2.583 1.00 4.12 C ATOM 2342 OE1 GLN A 160 -31.122 12.349 2.100 1.00 74.10 O ATOM 2343 NE2 GLN A 160 -29.063 12.831 2.810 1.00 42.34 N ATOM 0 H GLN A 160 -28.909 7.303 1.144 1.00 42.45 H new ATOM 0 HA GLN A 160 -30.498 7.973 3.499 1.00 45.30 H new ATOM 0 HB2 GLN A 160 -30.276 9.740 1.037 1.00 75.14 H new ATOM 0 HB3 GLN A 160 -31.633 9.810 2.143 1.00 75.14 H new ATOM 0 HG2 GLN A 160 -30.087 10.391 3.995 1.00 24.42 H new ATOM 0 HG3 GLN A 160 -28.736 10.333 2.881 1.00 24.42 H new ATOM 0 HE21 GLN A 160 -28.188 12.494 3.212 1.00 42.34 H new ATOM 0 HE22 GLN A 160 -29.174 13.820 2.585 1.00 42.34 H new ATOM 2352 N SER A 161 -32.643 7.563 1.865 1.00 23.23 N ATOM 2353 CA SER A 161 -33.714 6.838 1.218 1.00 40.33 C ATOM 2354 C SER A 161 -34.852 7.786 0.843 1.00 52.02 C ATOM 2355 O SER A 161 -34.864 8.951 1.262 1.00 35.22 O ATOM 2356 CB SER A 161 -34.216 5.729 2.143 1.00 4.12 C ATOM 2357 OG SER A 161 -34.476 6.235 3.445 1.00 2.41 O ATOM 0 H SER A 161 -32.957 8.321 2.471 1.00 23.23 H new ATOM 0 HA SER A 161 -33.336 6.387 0.300 1.00 40.33 H new ATOM 0 HB2 SER A 161 -35.124 5.289 1.731 1.00 4.12 H new ATOM 0 HB3 SER A 161 -33.474 4.933 2.199 1.00 4.12 H new ATOM 0 HG SER A 161 -34.798 5.509 4.020 1.00 2.41 H new ATOM 2363 N SER A 162 -35.800 7.291 0.056 1.00 43.44 N ATOM 2364 CA SER A 162 -36.947 8.082 -0.364 1.00 63.11 C ATOM 2365 C SER A 162 -37.998 7.197 -1.024 1.00 11.52 C ATOM 2366 O SER A 162 -37.687 6.096 -1.492 1.00 52.43 O ATOM 2367 CB SER A 162 -36.508 9.198 -1.324 1.00 42.23 C ATOM 2368 OG SER A 162 -35.676 8.690 -2.359 1.00 11.41 O ATOM 0 H SER A 162 -35.795 6.337 -0.306 1.00 43.44 H new ATOM 0 HA SER A 162 -37.389 8.539 0.521 1.00 63.11 H new ATOM 0 HB2 SER A 162 -37.387 9.672 -1.761 1.00 42.23 H new ATOM 0 HB3 SER A 162 -35.973 9.969 -0.769 1.00 42.23 H new ATOM 0 HG SER A 162 -35.413 9.421 -2.956 1.00 11.41 H new ATOM 2374 N SER A 163 -39.229 7.672 -1.047 1.00 5.55 N ATOM 2375 CA SER A 163 -40.333 6.946 -1.639 1.00 4.32 C ATOM 2376 C SER A 163 -41.316 7.928 -2.273 1.00 12.52 C ATOM 2377 O SER A 163 -41.312 9.118 -1.944 1.00 2.13 O ATOM 2378 CB SER A 163 -41.037 6.102 -0.571 1.00 23.04 C ATOM 2379 OG SER A 163 -42.091 5.329 -1.126 1.00 42.25 O ATOM 0 H SER A 163 -39.491 8.576 -0.654 1.00 5.55 H new ATOM 0 HA SER A 163 -39.951 6.280 -2.413 1.00 4.32 H new ATOM 0 HB2 SER A 163 -40.313 5.442 -0.093 1.00 23.04 H new ATOM 0 HB3 SER A 163 -41.434 6.755 0.206 1.00 23.04 H new ATOM 0 HG SER A 163 -42.517 4.802 -0.419 1.00 42.25 H new ATOM 2385 N GLN A 164 -42.156 7.432 -3.167 1.00 74.14 N ATOM 2386 CA GLN A 164 -43.129 8.267 -3.849 1.00 4.24 C ATOM 2387 C GLN A 164 -44.267 7.397 -4.389 1.00 1.10 C ATOM 2388 O GLN A 164 -44.132 6.174 -4.469 1.00 11.13 O ATOM 2389 CB GLN A 164 -42.440 9.040 -4.989 1.00 24.42 C ATOM 2390 CG GLN A 164 -43.302 10.109 -5.639 1.00 32.10 C ATOM 2391 CD GLN A 164 -42.532 10.948 -6.636 1.00 33.41 C ATOM 2392 OE1 GLN A 164 -42.461 10.620 -7.820 1.00 64.11 O ATOM 2393 NE2 GLN A 164 -41.950 12.034 -6.164 1.00 54.10 N ATOM 0 H GLN A 164 -42.183 6.449 -3.438 1.00 74.14 H new ATOM 0 HA GLN A 164 -43.550 8.988 -3.148 1.00 4.24 H new ATOM 0 HB2 GLN A 164 -41.536 9.508 -4.599 1.00 24.42 H new ATOM 0 HB3 GLN A 164 -42.126 8.330 -5.754 1.00 24.42 H new ATOM 0 HG2 GLN A 164 -44.145 9.635 -6.142 1.00 32.10 H new ATOM 0 HG3 GLN A 164 -43.715 10.757 -4.866 1.00 32.10 H new ATOM 0 HE21 GLN A 164 -42.034 12.269 -5.175 1.00 54.10 H new ATOM 0 HE22 GLN A 164 -41.416 12.639 -6.788 1.00 54.10 H new ATOM 2402 N GLN A 165 -45.376 8.031 -4.764 1.00 0.24 N ATOM 2403 CA GLN A 165 -46.547 7.331 -5.287 1.00 13.40 C ATOM 2404 C GLN A 165 -47.256 8.212 -6.305 1.00 74.12 C ATOM 2405 O GLN A 165 -46.900 9.386 -6.476 1.00 55.54 O ATOM 2406 CB GLN A 165 -47.517 6.950 -4.151 1.00 21.54 C ATOM 2407 CG GLN A 165 -47.011 5.832 -3.245 1.00 21.31 C ATOM 2408 CD GLN A 165 -47.970 5.506 -2.117 1.00 12.50 C ATOM 2409 OE1 GLN A 165 -48.695 6.376 -1.625 1.00 64.32 O ATOM 2410 NE2 GLN A 165 -47.986 4.253 -1.699 1.00 74.02 N ATOM 0 H GLN A 165 -45.488 9.044 -4.714 1.00 0.24 H new ATOM 0 HA GLN A 165 -46.214 6.412 -5.770 1.00 13.40 H new ATOM 0 HB2 GLN A 165 -47.713 7.834 -3.544 1.00 21.54 H new ATOM 0 HB3 GLN A 165 -48.468 6.646 -4.587 1.00 21.54 H new ATOM 0 HG2 GLN A 165 -46.843 4.936 -3.842 1.00 21.31 H new ATOM 0 HG3 GLN A 165 -46.048 6.120 -2.824 1.00 21.31 H new ATOM 0 HE21 GLN A 165 -47.371 3.563 -2.131 1.00 74.02 H new ATOM 0 HE22 GLN A 165 -48.613 3.975 -0.944 1.00 74.02 H new ATOM 2419 N GLN A 166 -48.241 7.658 -6.989 1.00 3.51 N ATOM 2420 CA GLN A 166 -48.934 8.390 -8.035 1.00 10.42 C ATOM 2421 C GLN A 166 -50.318 8.842 -7.595 1.00 41.34 C ATOM 2422 O GLN A 166 -51.202 8.019 -7.337 1.00 4.32 O ATOM 2423 CB GLN A 166 -49.047 7.539 -9.300 1.00 33.12 C ATOM 2424 CG GLN A 166 -49.548 8.307 -10.518 1.00 0.03 C ATOM 2425 CD GLN A 166 -48.532 9.309 -11.050 1.00 5.22 C ATOM 2426 OE1 GLN A 166 -47.714 9.855 -10.303 1.00 22.44 O ATOM 2427 NE2 GLN A 166 -48.583 9.561 -12.338 1.00 40.53 N ATOM 0 H GLN A 166 -48.578 6.707 -6.840 1.00 3.51 H new ATOM 0 HA GLN A 166 -48.343 9.281 -8.247 1.00 10.42 H new ATOM 0 HB2 GLN A 166 -48.070 7.113 -9.528 1.00 33.12 H new ATOM 0 HB3 GLN A 166 -49.721 6.705 -9.106 1.00 33.12 H new ATOM 0 HG2 GLN A 166 -49.800 7.600 -11.308 1.00 0.03 H new ATOM 0 HG3 GLN A 166 -50.466 8.833 -10.256 1.00 0.03 H new ATOM 0 HE21 GLN A 166 -49.273 9.090 -12.923 1.00 40.53 H new ATOM 0 HE22 GLN A 166 -47.932 10.228 -12.753 1.00 40.53 H new ATOM 2436 N SER A 167 -50.493 10.147 -7.505 1.00 34.24 N ATOM 2437 CA SER A 167 -51.774 10.735 -7.172 1.00 2.41 C ATOM 2438 C SER A 167 -52.714 10.622 -8.374 1.00 62.11 C ATOM 2439 O SER A 167 -52.256 10.426 -9.505 1.00 51.02 O ATOM 2440 CB SER A 167 -51.572 12.196 -6.796 1.00 33.32 C ATOM 2441 OG SER A 167 -50.468 12.334 -5.914 1.00 55.32 O ATOM 0 H SER A 167 -49.750 10.828 -7.661 1.00 34.24 H new ATOM 0 HA SER A 167 -52.217 10.207 -6.327 1.00 2.41 H new ATOM 0 HB2 SER A 167 -51.403 12.789 -7.695 1.00 33.32 H new ATOM 0 HB3 SER A 167 -52.474 12.584 -6.323 1.00 33.32 H new ATOM 0 HG SER A 167 -50.350 13.279 -5.683 1.00 55.32 H new ATOM 2447 N SER A 168 -54.011 10.744 -8.143 1.00 0.24 N ATOM 2448 CA SER A 168 -54.986 10.652 -9.226 1.00 21.51 C ATOM 2449 C SER A 168 -56.287 11.346 -8.848 1.00 20.52 C ATOM 2450 O SER A 168 -56.629 11.450 -7.669 1.00 0.35 O ATOM 2451 CB SER A 168 -55.260 9.183 -9.587 1.00 44.53 C ATOM 2452 OG SER A 168 -54.077 8.535 -10.037 1.00 52.20 O ATOM 0 H SER A 168 -54.415 10.906 -7.221 1.00 0.24 H new ATOM 0 HA SER A 168 -54.565 11.155 -10.096 1.00 21.51 H new ATOM 0 HB2 SER A 168 -55.656 8.660 -8.717 1.00 44.53 H new ATOM 0 HB3 SER A 168 -56.023 9.133 -10.364 1.00 44.53 H new ATOM 0 HG SER A 168 -53.376 9.203 -10.189 1.00 52.20 H new ATOM 2458 N ARG A 169 -56.993 11.829 -9.851 1.00 42.30 N ATOM 2459 CA ARG A 169 -58.259 12.507 -9.652 1.00 13.40 C ATOM 2460 C ARG A 169 -59.382 11.490 -9.532 1.00 45.40 C ATOM 2461 O ARG A 169 -59.678 10.812 -10.537 1.00 0.00 O ATOM 2462 CB ARG A 169 -58.535 13.458 -10.817 1.00 4.21 C ATOM 2463 CG ARG A 169 -59.836 14.229 -10.692 1.00 12.15 C ATOM 2464 CD ARG A 169 -60.084 15.090 -11.916 1.00 31.33 C ATOM 2465 NE ARG A 169 -61.308 15.881 -11.791 1.00 14.41 N ATOM 2466 CZ ARG A 169 -61.873 16.561 -12.793 1.00 4.23 C ATOM 2467 NH1 ARG A 169 -61.342 16.525 -14.014 1.00 23.12 N ATOM 2468 NH2 ARG A 169 -62.973 17.269 -12.576 1.00 50.21 N ATOM 2469 OXT ARG A 169 -59.964 11.369 -8.438 1.00 0.00 O ATOM 0 H ARG A 169 -56.705 11.763 -10.827 1.00 42.30 H new ATOM 0 HA ARG A 169 -58.207 13.086 -8.730 1.00 13.40 H new ATOM 0 HB2 ARG A 169 -57.711 14.167 -10.896 1.00 4.21 H new ATOM 0 HB3 ARG A 169 -58.552 12.885 -11.744 1.00 4.21 H new ATOM 0 HG2 ARG A 169 -60.664 13.532 -10.561 1.00 12.15 H new ATOM 0 HG3 ARG A 169 -59.805 14.858 -9.802 1.00 12.15 H new ATOM 0 HD2 ARG A 169 -59.235 15.757 -12.068 1.00 31.33 H new ATOM 0 HD3 ARG A 169 -60.152 14.454 -12.799 1.00 31.33 H new ATOM 0 HE ARG A 169 -61.761 15.916 -10.878 1.00 14.41 H new ATOM 0 HH11 ARG A 169 -60.500 15.976 -14.188 1.00 23.12 H new ATOM 0 HH12 ARG A 169 -61.778 17.046 -14.775 1.00 23.12 H new ATOM 0 HH21 ARG A 169 -63.388 17.294 -11.644 1.00 50.21 H new ATOM 0 HH22 ARG A 169 -63.404 17.788 -13.341 1.00 50.21 H new TER 2483 ARG A 169