USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 894 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 69 THR OG1 : rot -170:sc= -2.11 USER MOD Set 1.2: A 70 GLN : amide:sc= -3.86 K(o=-6,f=-9.1!) USER MOD Set 2.1: A 2 ASN : amide:sc= -9.03! C(o=-15!,f=-15!) USER MOD Set 2.2: A 62 HIS : no HD1:sc= -6.27! C(o=-15!,f=-17!) USER MOD Set 3.1: A 38 THR OG1 : rot 56:sc= 1.08 USER MOD Set 3.2: A 40 GLN :FLIP amide:sc= -4.71! C(o=-4.7!,f=-3.6!) USER MOD Set 4.1: A 24 THR OG1 : rot -54:sc= 1.23 USER MOD Set 4.2: A 109 THR OG1 : rot 136:sc= 0.936! USER MOD Single : A 4 SER OG : rot 180:sc= -0.198 USER MOD Single : A 6 SER OG : rot 180:sc= -0.141 USER MOD Single : A 9 HIS : no HE2:sc= -7.7! C(o=-7.7!,f=-10!) USER MOD Single : A 11 GLN :FLIP amide:sc= -4.87! C(o=-7.4!,f=-4.9!) USER MOD Single : A 13 SER OG : rot -54:sc= 0.328 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -8:sc= -4.82! USER MOD Single : A 23 CYS SG : rot 133:sc= -3.08 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.243 (180deg=-1.07!) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.56 F(o=-3.1!,f=-1.6) USER MOD Single : A 34 ASN : amide:sc= -3.53! C(o=-3.5!,f=-5.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 76:sc= 0.569 USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= -1.5 (180deg=-3.39!) USER MOD Single : A 57 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.036) USER MOD Single : A 58 THR OG1 : rot -103:sc= -2.54 USER MOD Single : A 61 SER OG : rot 76:sc= 1.13 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.693 F(o=-1.1,f=0.69) USER MOD Single : A 73 THR OG1 : rot -76:sc= -2.54! USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -0.027 (180deg=-0.924) USER MOD Single : A 78 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.8!) USER MOD Single : A 79 SER OG : rot -149:sc= -0.425 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -3.62 K(o=-3.6,f=-5.1!) USER MOD Single : A 88 TYR OH : rot 32:sc= -4.68! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.8!) USER MOD Single : A 98 SER OG : rot 45:sc= -0.521 USER MOD Single : A 102 SER OG : rot 139:sc= -2.81! USER MOD Single : A 105 SER OG : rot 76:sc= 1.1 USER MOD Single : A 107 GLN : amide:sc= -9.86! C(o=-9.9!,f=-19!) USER MOD Single : A 108 MET CE :methyl -139:sc= -0.726 (180deg=-4.14!) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.952 F(o=-3.2!,f=-0.95) USER MOD Single : A 114 LYS NZ :NH3+ -154:sc= -6.92! (180deg=-10.4!) USER MOD Single : A 123 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -1.487 9.024 -10.021 1.00 0.00 N ATOM 21 CA ASN A 2 -1.669 9.068 -8.568 1.00 0.00 C ATOM 22 C ASN A 2 -0.788 10.146 -7.918 1.00 0.00 C ATOM 23 O ASN A 2 -0.532 11.190 -8.519 1.00 0.00 O ATOM 24 CB ASN A 2 -1.401 7.685 -7.952 1.00 0.00 C ATOM 25 CG ASN A 2 0.077 7.340 -7.895 1.00 0.00 C ATOM 26 OD1 ASN A 2 0.750 7.271 -8.923 1.00 0.00 O ATOM 27 ND2 ASN A 2 0.587 7.115 -6.690 1.00 0.00 N ATOM 0 HA ASN A 2 -2.706 9.339 -8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.815 7.655 -6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.924 6.926 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.573 6.874 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.007 7.183 -5.864 1.00 0.00 H new ATOM 34 N LEU A 3 -0.339 9.897 -6.689 1.00 0.00 N ATOM 35 CA LEU A 3 0.494 10.850 -5.963 1.00 0.00 C ATOM 36 C LEU A 3 1.968 10.469 -6.035 1.00 0.00 C ATOM 37 O LEU A 3 2.775 10.944 -5.236 1.00 0.00 O ATOM 38 CB LEU A 3 0.083 10.899 -4.492 1.00 0.00 C ATOM 39 CG LEU A 3 -1.389 11.204 -4.205 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.312 10.239 -4.936 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.643 11.135 -2.710 1.00 0.00 C ATOM 0 H LEU A 3 -0.540 9.039 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 3 0.352 11.824 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.328 9.939 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.691 11.653 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.604 12.209 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.349 10.485 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.146 10.320 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.102 9.219 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.692 11.353 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.403 10.136 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.016 11.867 -2.200 1.00 0.00 H new ATOM 53 N SER A 4 2.315 9.593 -6.969 1.00 0.00 N ATOM 54 CA SER A 4 3.687 9.137 -7.106 1.00 0.00 C ATOM 55 C SER A 4 4.024 8.197 -5.958 1.00 0.00 C ATOM 56 O SER A 4 3.136 7.735 -5.245 1.00 0.00 O ATOM 57 CB SER A 4 4.657 10.323 -7.125 1.00 0.00 C ATOM 58 OG SER A 4 4.081 11.442 -7.775 1.00 0.00 O ATOM 0 H SER A 4 1.664 9.186 -7.641 1.00 0.00 H new ATOM 0 HA SER A 4 3.789 8.605 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.928 10.591 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.577 10.036 -7.634 1.00 0.00 H new ATOM 0 HG SER A 4 4.719 12.186 -7.772 1.00 0.00 H new ATOM 64 N LEU A 5 5.301 7.913 -5.784 1.00 0.00 N ATOM 65 CA LEU A 5 5.739 7.022 -4.718 1.00 0.00 C ATOM 66 C LEU A 5 6.161 7.783 -3.486 1.00 0.00 C ATOM 67 O LEU A 5 5.566 7.650 -2.421 1.00 0.00 O ATOM 68 CB LEU A 5 6.889 6.161 -5.186 1.00 0.00 C ATOM 69 CG LEU A 5 6.580 5.370 -6.422 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.833 5.098 -7.237 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.860 4.078 -6.065 1.00 0.00 C ATOM 0 H LEU A 5 6.054 8.284 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 5 4.887 6.393 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.754 6.796 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.168 5.475 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 5 5.915 5.967 -7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.572 4.523 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.284 6.044 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.543 4.532 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.644 3.518 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.492 3.478 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.926 4.311 -5.553 1.00 0.00 H new ATOM 83 N SER A 6 7.221 8.550 -3.634 1.00 0.00 N ATOM 84 CA SER A 6 7.768 9.307 -2.528 1.00 0.00 C ATOM 85 C SER A 6 6.683 10.025 -1.720 1.00 0.00 C ATOM 86 O SER A 6 6.673 9.958 -0.490 1.00 0.00 O ATOM 87 CB SER A 6 8.811 10.305 -3.030 1.00 0.00 C ATOM 88 OG SER A 6 8.227 11.567 -3.307 1.00 0.00 O ATOM 0 H SER A 6 7.723 8.666 -4.514 1.00 0.00 H new ATOM 0 HA SER A 6 8.248 8.595 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.595 10.421 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.285 9.916 -3.931 1.00 0.00 H new ATOM 0 HG SER A 6 8.918 12.185 -3.624 1.00 0.00 H new ATOM 94 N ASP A 7 5.765 10.704 -2.407 1.00 0.00 N ATOM 95 CA ASP A 7 4.689 11.415 -1.724 1.00 0.00 C ATOM 96 C ASP A 7 3.672 10.427 -1.185 1.00 0.00 C ATOM 97 O ASP A 7 3.501 10.295 0.026 1.00 0.00 O ATOM 98 CB ASP A 7 4.005 12.406 -2.667 1.00 0.00 C ATOM 99 CG ASP A 7 3.774 13.757 -2.016 1.00 0.00 C ATOM 100 OD1 ASP A 7 2.890 13.849 -1.139 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.477 14.722 -2.382 1.00 0.00 O ATOM 0 H ASP A 7 5.745 10.776 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 7 5.122 11.973 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.617 12.536 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.050 11.994 -2.992 1.00 0.00 H new ATOM 106 N LEU A 8 3.011 9.720 -2.095 1.00 0.00 N ATOM 107 CA LEU A 8 2.018 8.721 -1.722 1.00 0.00 C ATOM 108 C LEU A 8 2.504 7.911 -0.527 1.00 0.00 C ATOM 109 O LEU A 8 1.781 7.727 0.452 1.00 0.00 O ATOM 110 CB LEU A 8 1.749 7.800 -2.906 1.00 0.00 C ATOM 111 CG LEU A 8 0.515 6.918 -2.773 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.742 7.738 -3.004 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.596 5.759 -3.751 1.00 0.00 C ATOM 0 H LEU A 8 3.146 9.822 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 8 1.093 9.226 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.646 8.409 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.619 7.160 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 8 0.474 6.511 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.618 7.097 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.795 8.539 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.717 8.168 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.291 5.134 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.652 6.145 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.485 5.165 -3.539 1.00 0.00 H new ATOM 125 N HIS A 9 3.750 7.459 -0.613 1.00 0.00 N ATOM 126 CA HIS A 9 4.369 6.697 0.459 1.00 0.00 C ATOM 127 C HIS A 9 4.513 7.573 1.689 1.00 0.00 C ATOM 128 O HIS A 9 4.241 7.152 2.810 1.00 0.00 O ATOM 129 CB HIS A 9 5.750 6.205 0.030 1.00 0.00 C ATOM 130 CG HIS A 9 6.454 5.410 1.087 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.627 5.824 1.681 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.139 4.227 1.664 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.003 4.930 2.578 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.117 3.951 2.589 1.00 0.00 N ATOM 0 H HIS A 9 4.353 7.610 -1.422 1.00 0.00 H new ATOM 0 HA HIS A 9 3.738 5.838 0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.647 5.593 -0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.366 7.063 -0.239 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.127 6.686 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.279 3.614 1.439 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.886 4.990 3.197 1.00 0.00 H new ATOM 143 N ARG A 10 4.956 8.800 1.454 1.00 0.00 N ATOM 144 CA ARG A 10 5.158 9.766 2.528 1.00 0.00 C ATOM 145 C ARG A 10 3.898 9.933 3.379 1.00 0.00 C ATOM 146 O ARG A 10 3.950 9.794 4.600 1.00 0.00 O ATOM 147 CB ARG A 10 5.589 11.119 1.955 1.00 0.00 C ATOM 148 CG ARG A 10 7.096 11.313 1.927 1.00 0.00 C ATOM 149 CD ARG A 10 7.579 12.108 3.129 1.00 0.00 C ATOM 150 NE ARG A 10 9.035 12.230 3.156 1.00 0.00 N ATOM 151 CZ ARG A 10 9.852 11.265 3.574 1.00 0.00 C ATOM 152 NH1 ARG A 10 9.361 10.109 4.003 1.00 0.00 N ATOM 153 NH2 ARG A 10 11.164 11.457 3.564 1.00 0.00 N ATOM 0 H ARG A 10 5.184 9.153 0.524 1.00 0.00 H new ATOM 0 HA ARG A 10 5.949 9.382 3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.199 11.216 0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.139 11.916 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.589 10.341 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.380 11.829 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.132 13.102 3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.239 11.624 4.044 1.00 0.00 H new ATOM 0 HE ARG A 10 9.450 13.105 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.353 9.956 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.992 9.374 4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.547 12.344 3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.790 10.718 3.884 1.00 0.00 H new ATOM 167 N GLN A 11 2.770 10.240 2.738 1.00 0.00 N ATOM 168 CA GLN A 11 1.519 10.429 3.476 1.00 0.00 C ATOM 169 C GLN A 11 1.025 9.118 4.087 1.00 0.00 C ATOM 170 O GLN A 11 0.732 9.056 5.283 1.00 0.00 O ATOM 171 CB GLN A 11 0.419 11.052 2.601 1.00 0.00 C ATOM 172 CG GLN A 11 0.486 10.686 1.130 1.00 0.00 C ATOM 173 CD GLN A 11 1.305 11.674 0.325 1.00 0.00 C ATOM 174 OE1 GLN A 11 1.098 11.684 -0.983 1.00 0.00 O flip ATOM 175 NE2 GLN A 11 2.120 12.414 0.871 1.00 0.00 N flip ATOM 0 H GLN A 11 2.695 10.362 1.728 1.00 0.00 H new ATOM 0 HA GLN A 11 1.740 11.127 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.552 10.747 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.473 12.137 2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.917 9.691 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.524 10.640 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.248 12.374 1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.668 13.069 0.313 1.00 0.00 H new ATOM 184 N VAL A 12 0.935 8.067 3.273 1.00 0.00 N ATOM 185 CA VAL A 12 0.475 6.773 3.764 1.00 0.00 C ATOM 186 C VAL A 12 1.359 6.287 4.911 1.00 0.00 C ATOM 187 O VAL A 12 0.867 5.811 5.939 1.00 0.00 O ATOM 188 CB VAL A 12 0.457 5.720 2.637 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.870 5.407 2.175 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.261 4.456 3.087 1.00 0.00 C ATOM 0 H VAL A 12 1.172 8.087 2.281 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.544 6.904 4.129 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.093 6.134 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.836 4.662 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.340 6.316 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.449 5.018 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.261 3.729 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.251 4.035 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.289 4.698 3.357 1.00 0.00 H new ATOM 200 N SER A 13 2.668 6.427 4.728 1.00 0.00 N ATOM 201 CA SER A 13 3.635 6.021 5.738 1.00 0.00 C ATOM 202 C SER A 13 3.456 6.833 7.012 1.00 0.00 C ATOM 203 O SER A 13 3.336 6.276 8.102 1.00 0.00 O ATOM 204 CB SER A 13 5.060 6.191 5.209 1.00 0.00 C ATOM 205 OG SER A 13 5.368 7.559 5.000 1.00 0.00 O ATOM 0 H SER A 13 3.084 6.821 3.884 1.00 0.00 H new ATOM 0 HA SER A 13 3.464 4.969 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.768 5.760 5.917 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.171 5.643 4.273 1.00 0.00 H new ATOM 0 HG SER A 13 4.692 7.961 4.415 1.00 0.00 H new ATOM 211 N ARG A 14 3.432 8.151 6.868 1.00 0.00 N ATOM 212 CA ARG A 14 3.266 9.036 8.011 1.00 0.00 C ATOM 213 C ARG A 14 1.881 8.879 8.624 1.00 0.00 C ATOM 214 O ARG A 14 1.647 9.290 9.757 1.00 0.00 O ATOM 215 CB ARG A 14 3.491 10.493 7.597 1.00 0.00 C ATOM 216 CG ARG A 14 4.907 10.986 7.851 1.00 0.00 C ATOM 217 CD ARG A 14 4.912 12.378 8.463 1.00 0.00 C ATOM 218 NE ARG A 14 6.058 13.168 8.019 1.00 0.00 N ATOM 219 CZ ARG A 14 6.118 14.495 8.100 1.00 0.00 C ATOM 220 NH1 ARG A 14 5.103 15.183 8.608 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.198 15.137 7.674 1.00 0.00 N ATOM 0 H ARG A 14 3.525 8.630 5.972 1.00 0.00 H new ATOM 0 HA ARG A 14 4.009 8.761 8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.263 10.600 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.791 11.128 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.421 10.293 8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.463 10.998 6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.990 12.895 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.928 12.296 9.550 1.00 0.00 H new ATOM 0 HE ARG A 14 6.858 12.674 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.271 14.695 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.155 16.200 8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.982 14.614 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.244 16.154 7.736 1.00 0.00 H new ATOM 235 N LEU A 15 0.960 8.293 7.868 1.00 0.00 N ATOM 236 CA LEU A 15 -0.397 8.101 8.350 1.00 0.00 C ATOM 237 C LEU A 15 -0.500 6.898 9.280 1.00 0.00 C ATOM 238 O LEU A 15 -0.891 7.036 10.438 1.00 0.00 O ATOM 239 CB LEU A 15 -1.350 7.945 7.171 1.00 0.00 C ATOM 240 CG LEU A 15 -1.852 9.267 6.605 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.140 9.144 5.117 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.089 9.734 7.357 1.00 0.00 C ATOM 0 H LEU A 15 1.129 7.945 6.924 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.677 8.983 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.846 7.390 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.206 7.347 7.484 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.069 10.014 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.497 10.100 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.227 8.862 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.902 8.382 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.433 10.680 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.877 8.987 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.844 9.871 8.410 1.00 0.00 H new ATOM 254 N VAL A 16 -0.153 5.720 8.774 1.00 0.00 N ATOM 255 CA VAL A 16 -0.221 4.506 9.584 1.00 0.00 C ATOM 256 C VAL A 16 0.873 4.497 10.643 1.00 0.00 C ATOM 257 O VAL A 16 0.717 3.889 11.702 1.00 0.00 O ATOM 258 CB VAL A 16 -0.128 3.229 8.714 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.856 2.217 9.295 1.00 0.00 C ATOM 260 CG2 VAL A 16 -1.501 2.597 8.557 1.00 0.00 C ATOM 0 H VAL A 16 0.175 5.578 7.819 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.192 4.506 10.079 1.00 0.00 H new ATOM 0 HB VAL A 16 0.245 3.526 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.892 1.336 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.848 2.665 9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.532 1.927 10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.421 1.700 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.893 2.331 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.175 3.306 8.077 1.00 0.00 H new ATOM 270 N GLN A 17 1.976 5.172 10.356 1.00 0.00 N ATOM 271 CA GLN A 17 3.081 5.230 11.298 1.00 0.00 C ATOM 272 C GLN A 17 2.758 6.173 12.456 1.00 0.00 C ATOM 273 O GLN A 17 3.438 6.161 13.482 1.00 0.00 O ATOM 274 CB GLN A 17 4.366 5.662 10.592 1.00 0.00 C ATOM 275 CG GLN A 17 4.891 4.627 9.603 1.00 0.00 C ATOM 276 CD GLN A 17 6.149 3.939 10.095 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.176 3.378 11.190 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.201 3.979 9.285 1.00 0.00 N ATOM 0 H GLN A 17 2.128 5.683 9.486 1.00 0.00 H new ATOM 0 HA GLN A 17 3.233 4.231 11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.185 6.598 10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.133 5.861 11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.119 3.879 9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.096 5.112 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.134 4.455 8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.076 3.533 9.562 1.00 0.00 H new ATOM 287 N GLN A 18 1.711 6.984 12.293 1.00 0.00 N ATOM 288 CA GLN A 18 1.307 7.917 13.339 1.00 0.00 C ATOM 289 C GLN A 18 -0.040 8.559 13.015 1.00 0.00 C ATOM 290 O GLN A 18 -0.135 9.776 12.851 1.00 0.00 O ATOM 291 CB GLN A 18 2.373 8.998 13.523 1.00 0.00 C ATOM 292 CG GLN A 18 2.756 9.696 12.231 1.00 0.00 C ATOM 293 CD GLN A 18 3.593 10.939 12.463 1.00 0.00 C ATOM 294 OE1 GLN A 18 4.822 10.893 12.410 1.00 0.00 O ATOM 295 NE2 GLN A 18 2.930 12.060 12.723 1.00 0.00 N ATOM 0 H GLN A 18 1.133 7.012 11.453 1.00 0.00 H new ATOM 0 HA GLN A 18 1.202 7.357 14.268 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.008 9.740 14.233 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.264 8.548 13.962 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.310 9.002 11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.851 9.969 11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.911 12.053 12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.440 12.928 12.888 1.00 0.00 H new ATOM 304 N GLU A 19 -1.085 7.735 12.929 1.00 0.00 N ATOM 305 CA GLU A 19 -2.427 8.231 12.630 1.00 0.00 C ATOM 306 C GLU A 19 -3.411 7.082 12.420 1.00 0.00 C ATOM 307 O GLU A 19 -4.410 6.968 13.132 1.00 0.00 O ATOM 308 CB GLU A 19 -2.404 9.128 11.387 1.00 0.00 C ATOM 309 CG GLU A 19 -2.807 10.566 11.668 1.00 0.00 C ATOM 310 CD GLU A 19 -4.145 10.670 12.373 1.00 0.00 C ATOM 311 OE1 GLU A 19 -5.110 10.023 11.914 1.00 0.00 O ATOM 312 OE2 GLU A 19 -4.228 11.400 13.384 1.00 0.00 O ATOM 0 H GLU A 19 -1.028 6.725 13.062 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.760 8.815 13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.401 9.117 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.075 8.711 10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.040 11.041 12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.852 11.117 10.729 1.00 0.00 H new ATOM 319 N SER A 20 -3.130 6.243 11.428 1.00 0.00 N ATOM 320 CA SER A 20 -3.996 5.112 11.109 1.00 0.00 C ATOM 321 C SER A 20 -3.670 3.894 11.970 1.00 0.00 C ATOM 322 O SER A 20 -4.566 3.148 12.366 1.00 0.00 O ATOM 323 CB SER A 20 -3.862 4.752 9.628 1.00 0.00 C ATOM 324 OG SER A 20 -4.033 5.894 8.809 1.00 0.00 O ATOM 0 H SER A 20 -2.308 6.325 10.830 1.00 0.00 H new ATOM 0 HA SER A 20 -5.023 5.409 11.322 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.882 4.312 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.604 3.998 9.365 1.00 0.00 H new ATOM 0 HG SER A 20 -4.329 6.649 9.359 1.00 0.00 H new ATOM 330 N GLY A 21 -2.387 3.692 12.251 1.00 0.00 N ATOM 331 CA GLY A 21 -1.976 2.555 13.056 1.00 0.00 C ATOM 332 C GLY A 21 -2.453 1.236 12.477 1.00 0.00 C ATOM 333 O GLY A 21 -3.359 0.603 13.020 1.00 0.00 O ATOM 0 H GLY A 21 -1.625 4.293 11.937 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.889 2.543 13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.368 2.668 14.067 1.00 0.00 H new ATOM 337 N ASP A 22 -1.845 0.823 11.368 1.00 0.00 N ATOM 338 CA ASP A 22 -2.212 -0.424 10.708 1.00 0.00 C ATOM 339 C ASP A 22 -3.712 -0.465 10.416 1.00 0.00 C ATOM 340 O ASP A 22 -4.517 -0.805 11.283 1.00 0.00 O ATOM 341 CB ASP A 22 -1.815 -1.627 11.569 1.00 0.00 C ATOM 342 CG ASP A 22 -0.614 -1.349 12.455 1.00 0.00 C ATOM 343 OD1 ASP A 22 0.424 -0.899 11.925 1.00 0.00 O ATOM 344 OD2 ASP A 22 -0.712 -1.582 13.678 1.00 0.00 O ATOM 0 H ASP A 22 -1.094 1.337 10.907 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.672 -0.474 9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.661 -1.916 12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.593 -2.474 10.920 1.00 0.00 H new ATOM 349 N CYS A 23 -4.077 -0.111 9.189 1.00 0.00 N ATOM 350 CA CYS A 23 -5.476 -0.096 8.767 1.00 0.00 C ATOM 351 C CYS A 23 -5.562 -0.096 7.246 1.00 0.00 C ATOM 352 O CYS A 23 -4.596 -0.447 6.571 1.00 0.00 O ATOM 353 CB CYS A 23 -6.184 1.130 9.351 1.00 0.00 C ATOM 354 SG CYS A 23 -7.419 0.728 10.609 1.00 0.00 S ATOM 0 H CYS A 23 -3.419 0.172 8.463 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.973 -0.992 9.139 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.439 1.795 9.786 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.667 1.678 8.543 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.257 1.503 11.640 1.00 0.00 H new ATOM 360 N THR A 24 -6.709 0.296 6.702 1.00 0.00 N ATOM 361 CA THR A 24 -6.872 0.326 5.255 1.00 0.00 C ATOM 362 C THR A 24 -6.799 1.758 4.744 1.00 0.00 C ATOM 363 O THR A 24 -7.358 2.670 5.348 1.00 0.00 O ATOM 364 CB THR A 24 -8.195 -0.320 4.852 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.303 -1.621 5.400 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.380 -0.437 3.352 1.00 0.00 C ATOM 0 H THR A 24 -7.528 0.593 7.233 1.00 0.00 H new ATOM 0 HA THR A 24 -6.061 -0.244 4.803 1.00 0.00 H new ATOM 0 HB THR A 24 -8.967 0.342 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.520 -2.150 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.341 -0.905 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.353 0.556 2.903 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.579 -1.046 2.933 1.00 0.00 H new ATOM 374 N GLY A 25 -6.083 1.956 3.644 1.00 0.00 N ATOM 375 CA GLY A 25 -5.932 3.288 3.098 1.00 0.00 C ATOM 376 C GLY A 25 -6.766 3.532 1.862 1.00 0.00 C ATOM 377 O GLY A 25 -6.890 2.661 1.000 1.00 0.00 O ATOM 0 H GLY A 25 -5.606 1.220 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.205 4.017 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.882 3.456 2.857 1.00 0.00 H new ATOM 381 N LYS A 26 -7.326 4.732 1.771 1.00 0.00 N ATOM 382 CA LYS A 26 -8.141 5.111 0.627 1.00 0.00 C ATOM 383 C LYS A 26 -7.356 6.058 -0.276 1.00 0.00 C ATOM 384 O LYS A 26 -6.726 7.002 0.208 1.00 0.00 O ATOM 385 CB LYS A 26 -9.445 5.769 1.096 1.00 0.00 C ATOM 386 CG LYS A 26 -9.273 7.196 1.580 1.00 0.00 C ATOM 387 CD LYS A 26 -9.454 8.199 0.451 1.00 0.00 C ATOM 388 CE LYS A 26 -10.922 8.433 0.139 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.716 8.711 1.367 1.00 0.00 N ATOM 0 H LYS A 26 -7.229 5.460 2.479 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.396 4.216 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.162 5.758 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.873 5.172 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.996 7.402 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.282 7.315 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.985 9.144 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.945 7.837 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.017 9.271 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.329 7.557 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.603 9.187 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.933 7.816 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.168 9.324 2.003 1.00 0.00 H new ATOM 403 N LEU A 27 -7.385 5.798 -1.583 1.00 0.00 N ATOM 404 CA LEU A 27 -6.658 6.627 -2.538 1.00 0.00 C ATOM 405 C LEU A 27 -7.591 7.551 -3.317 1.00 0.00 C ATOM 406 O LEU A 27 -8.749 7.223 -3.573 1.00 0.00 O ATOM 407 CB LEU A 27 -5.868 5.751 -3.512 1.00 0.00 C ATOM 408 CG LEU A 27 -4.785 6.489 -4.305 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.454 5.754 -4.214 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.207 6.657 -5.758 1.00 0.00 C ATOM 0 H LEU A 27 -7.902 5.024 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.969 7.249 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.401 4.941 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.565 5.293 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.657 7.479 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.699 6.296 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.144 5.690 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.565 4.749 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.425 7.183 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.367 5.676 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.132 7.232 -5.804 1.00 0.00 H new ATOM 422 N ARG A 28 -7.055 8.711 -3.684 1.00 0.00 N ATOM 423 CA ARG A 28 -7.786 9.732 -4.433 1.00 0.00 C ATOM 424 C ARG A 28 -6.970 11.019 -4.442 1.00 0.00 C ATOM 425 O ARG A 28 -7.412 12.055 -3.943 1.00 0.00 O ATOM 426 CB ARG A 28 -9.165 9.984 -3.807 1.00 0.00 C ATOM 427 CG ARG A 28 -10.314 9.856 -4.793 1.00 0.00 C ATOM 428 CD ARG A 28 -11.028 8.523 -4.643 1.00 0.00 C ATOM 429 NE ARG A 28 -10.635 7.575 -5.683 1.00 0.00 N ATOM 430 CZ ARG A 28 -10.880 7.755 -6.980 1.00 0.00 C ATOM 431 NH1 ARG A 28 -11.528 8.836 -7.397 1.00 0.00 N ATOM 432 NH2 ARG A 28 -10.477 6.851 -7.862 1.00 0.00 N ATOM 0 H ARG A 28 -6.093 8.973 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.939 9.385 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.318 9.279 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.180 10.983 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.022 10.669 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.935 9.955 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.806 8.100 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.106 8.682 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.145 6.727 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.841 9.535 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.713 8.968 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.980 6.018 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.664 6.989 -8.855 1.00 0.00 H new ATOM 446 N GLY A 29 -5.749 10.933 -4.964 1.00 0.00 N ATOM 447 CA GLY A 29 -4.868 12.086 -4.965 1.00 0.00 C ATOM 448 C GLY A 29 -4.362 12.368 -3.560 1.00 0.00 C ATOM 449 O GLY A 29 -3.692 13.371 -3.310 1.00 0.00 O ATOM 0 H GLY A 29 -5.357 10.090 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.025 11.907 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.399 12.957 -5.349 1.00 0.00 H new ATOM 453 N ASN A 30 -4.704 11.460 -2.646 1.00 0.00 N ATOM 454 CA ASN A 30 -4.323 11.551 -1.245 1.00 0.00 C ATOM 455 C ASN A 30 -4.585 10.201 -0.580 1.00 0.00 C ATOM 456 O ASN A 30 -5.303 9.368 -1.134 1.00 0.00 O ATOM 457 CB ASN A 30 -5.108 12.679 -0.558 1.00 0.00 C ATOM 458 CG ASN A 30 -5.488 12.366 0.879 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.398 11.415 1.055 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.969 12.972 1.817 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.260 10.633 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.263 11.789 -1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.510 13.590 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.014 12.880 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.274 13.696 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.234 12.750 2.777 1.00 0.00 H new ATOM 467 N VAL A 31 -4.030 9.986 0.605 1.00 0.00 N ATOM 468 CA VAL A 31 -4.253 8.729 1.310 1.00 0.00 C ATOM 469 C VAL A 31 -4.925 8.963 2.654 1.00 0.00 C ATOM 470 O VAL A 31 -4.417 9.691 3.507 1.00 0.00 O ATOM 471 CB VAL A 31 -2.955 7.915 1.505 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.776 8.819 1.826 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.129 6.849 2.583 1.00 0.00 C ATOM 0 H VAL A 31 -3.432 10.653 1.093 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.917 8.141 0.676 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.742 7.411 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.879 8.214 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.623 9.522 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.979 9.370 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.199 6.292 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.385 7.326 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.927 6.166 2.294 1.00 0.00 H new ATOM 483 N ALA A 32 -6.072 8.324 2.827 1.00 0.00 N ATOM 484 CA ALA A 32 -6.840 8.432 4.064 1.00 0.00 C ATOM 485 C ALA A 32 -6.833 7.104 4.808 1.00 0.00 C ATOM 486 O ALA A 32 -6.445 6.079 4.250 1.00 0.00 O ATOM 487 CB ALA A 32 -8.265 8.885 3.780 1.00 0.00 C ATOM 0 H ALA A 32 -6.496 7.720 2.123 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.369 9.185 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.817 8.958 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.247 9.860 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.753 8.162 3.127 1.00 0.00 H new ATOM 493 N ALA A 33 -7.242 7.126 6.073 1.00 0.00 N ATOM 494 CA ALA A 33 -7.251 5.914 6.884 1.00 0.00 C ATOM 495 C ALA A 33 -8.655 5.346 7.054 1.00 0.00 C ATOM 496 O ALA A 33 -9.631 6.083 7.190 1.00 0.00 O ATOM 497 CB ALA A 33 -6.635 6.194 8.244 1.00 0.00 C ATOM 0 H ALA A 33 -7.569 7.963 6.555 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.658 5.165 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.646 5.283 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.607 6.531 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.210 6.969 8.751 1.00 0.00 H new ATOM 503 N ASN A 34 -8.733 4.018 7.047 1.00 0.00 N ATOM 504 CA ASN A 34 -9.996 3.307 7.201 1.00 0.00 C ATOM 505 C ASN A 34 -9.888 2.284 8.329 1.00 0.00 C ATOM 506 O ASN A 34 -9.052 1.376 8.279 1.00 0.00 O ATOM 507 CB ASN A 34 -10.379 2.612 5.886 1.00 0.00 C ATOM 508 CG ASN A 34 -11.414 1.515 6.073 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.312 1.630 6.908 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.294 0.445 5.293 1.00 0.00 N ATOM 0 H ASN A 34 -7.924 3.407 6.935 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.775 4.026 7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.767 3.355 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.484 2.186 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.961 -0.322 5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.534 0.391 4.614 1.00 0.00 H new ATOM 517 N LYS A 35 -10.737 2.443 9.341 1.00 0.00 N ATOM 518 CA LYS A 35 -10.746 1.543 10.488 1.00 0.00 C ATOM 519 C LYS A 35 -12.173 1.145 10.860 1.00 0.00 C ATOM 520 O LYS A 35 -12.439 0.740 11.992 1.00 0.00 O ATOM 521 CB LYS A 35 -10.061 2.210 11.683 1.00 0.00 C ATOM 522 CG LYS A 35 -10.857 3.360 12.284 1.00 0.00 C ATOM 523 CD LYS A 35 -11.337 3.038 13.690 1.00 0.00 C ATOM 524 CE LYS A 35 -10.173 2.857 14.650 1.00 0.00 C ATOM 525 NZ LYS A 35 -10.435 3.497 15.969 1.00 0.00 N ATOM 0 H LYS A 35 -11.430 3.190 9.389 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.199 0.640 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.885 1.460 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.085 2.581 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.239 4.257 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.715 3.580 11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.983 3.840 14.047 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.938 2.129 13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.984 1.793 14.794 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.271 3.285 14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.617 3.351 16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.591 4.517 15.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.281 3.071 16.400 1.00 0.00 H new ATOM 539 N GLU A 36 -13.089 1.268 9.904 1.00 0.00 N ATOM 540 CA GLU A 36 -14.488 0.928 10.137 1.00 0.00 C ATOM 541 C GLU A 36 -14.858 -0.386 9.453 1.00 0.00 C ATOM 542 O GLU A 36 -15.804 -1.060 9.858 1.00 0.00 O ATOM 543 CB GLU A 36 -15.393 2.052 9.629 1.00 0.00 C ATOM 544 CG GLU A 36 -16.871 1.812 9.889 1.00 0.00 C ATOM 545 CD GLU A 36 -17.761 2.575 8.928 1.00 0.00 C ATOM 546 OE1 GLU A 36 -18.007 2.066 7.814 1.00 0.00 O ATOM 547 OE2 GLU A 36 -18.212 3.682 9.289 1.00 0.00 O ATOM 0 H GLU A 36 -12.887 1.601 8.961 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.631 0.805 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.097 2.987 10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.237 2.175 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.083 0.746 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.109 2.106 10.911 1.00 0.00 H new ATOM 554 N THR A 37 -14.111 -0.745 8.413 1.00 0.00 N ATOM 555 CA THR A 37 -14.376 -1.977 7.680 1.00 0.00 C ATOM 556 C THR A 37 -13.096 -2.740 7.387 1.00 0.00 C ATOM 557 O THR A 37 -12.010 -2.346 7.811 1.00 0.00 O ATOM 558 CB THR A 37 -15.124 -1.677 6.380 1.00 0.00 C ATOM 559 OG1 THR A 37 -15.494 -2.877 5.726 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.320 -0.850 5.401 1.00 0.00 C ATOM 0 H THR A 37 -13.322 -0.203 8.061 1.00 0.00 H new ATOM 0 HA THR A 37 -15.002 -2.607 8.312 1.00 0.00 H new ATOM 0 HB THR A 37 -16.001 -1.103 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.972 -2.664 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.911 -0.675 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.062 0.105 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.407 -1.384 5.137 1.00 0.00 H new ATOM 568 N THR A 38 -13.239 -3.839 6.660 1.00 0.00 N ATOM 569 CA THR A 38 -12.115 -4.671 6.304 1.00 0.00 C ATOM 570 C THR A 38 -11.990 -4.767 4.794 1.00 0.00 C ATOM 571 O THR A 38 -12.941 -5.097 4.088 1.00 0.00 O ATOM 572 CB THR A 38 -12.262 -6.065 6.915 1.00 0.00 C ATOM 573 OG1 THR A 38 -13.504 -6.643 6.555 1.00 0.00 O ATOM 574 CG2 THR A 38 -12.172 -6.068 8.427 1.00 0.00 C ATOM 0 H THR A 38 -14.136 -4.172 6.305 1.00 0.00 H new ATOM 0 HA THR A 38 -11.208 -4.215 6.702 1.00 0.00 H new ATOM 0 HB THR A 38 -11.429 -6.644 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.590 -6.652 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.284 -7.087 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.203 -5.675 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.964 -5.443 8.840 1.00 0.00 H new ATOM 582 N PHE A 39 -10.808 -4.451 4.321 1.00 0.00 N ATOM 583 CA PHE A 39 -10.499 -4.474 2.894 1.00 0.00 C ATOM 584 C PHE A 39 -10.166 -5.893 2.424 1.00 0.00 C ATOM 585 O PHE A 39 -10.607 -6.333 1.368 1.00 0.00 O ATOM 586 CB PHE A 39 -9.325 -3.527 2.617 1.00 0.00 C ATOM 587 CG PHE A 39 -7.974 -4.186 2.742 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.445 -4.476 3.990 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.246 -4.533 1.614 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.217 -5.096 4.111 1.00 0.00 C ATOM 591 CE2 PHE A 39 -6.018 -5.156 1.729 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.503 -5.438 2.979 1.00 0.00 C ATOM 0 H PHE A 39 -10.024 -4.168 4.910 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.375 -4.141 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.429 -3.118 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.376 -2.687 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.000 -4.214 4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.643 -4.314 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.815 -5.313 5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.462 -5.422 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.544 -5.925 3.071 1.00 0.00 H new ATOM 602 N GLN A 40 -9.375 -6.580 3.233 1.00 0.00 N ATOM 603 CA GLN A 40 -8.922 -7.960 2.974 1.00 0.00 C ATOM 604 C GLN A 40 -9.006 -8.354 1.498 1.00 0.00 C ATOM 605 O GLN A 40 -9.832 -9.184 1.116 1.00 0.00 O ATOM 606 CB GLN A 40 -9.729 -8.950 3.815 1.00 0.00 C ATOM 607 CG GLN A 40 -11.198 -9.031 3.433 1.00 0.00 C ATOM 608 CD GLN A 40 -12.096 -8.335 4.431 1.00 0.00 C ATOM 609 OE1 GLN A 40 -12.934 -7.435 3.936 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -12.041 -8.606 5.631 1.00 0.00 N flip ATOM 0 H GLN A 40 -9.017 -6.197 4.108 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.870 -7.996 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.284 -9.940 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.652 -8.667 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.339 -8.584 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.492 -10.078 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.379 -9.306 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.657 -8.130 6.290 1.00 0.00 H new ATOM 619 N GLY A 41 -8.143 -7.763 0.675 1.00 0.00 N ATOM 620 CA GLY A 41 -8.137 -8.070 -0.750 1.00 0.00 C ATOM 621 C GLY A 41 -9.534 -8.298 -1.296 1.00 0.00 C ATOM 622 O GLY A 41 -9.780 -9.259 -2.016 1.00 0.00 O ATOM 0 H GLY A 41 -7.447 -7.077 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.666 -7.251 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.531 -8.959 -0.925 1.00 0.00 H new ATOM 626 N LEU A 42 -10.451 -7.412 -0.933 1.00 0.00 N ATOM 627 CA LEU A 42 -11.833 -7.510 -1.378 1.00 0.00 C ATOM 628 C LEU A 42 -11.996 -6.856 -2.747 1.00 0.00 C ATOM 629 O LEU A 42 -11.031 -6.725 -3.498 1.00 0.00 O ATOM 630 CB LEU A 42 -12.754 -6.844 -0.352 1.00 0.00 C ATOM 631 CG LEU A 42 -14.091 -7.535 -0.129 1.00 0.00 C ATOM 632 CD1 LEU A 42 -13.918 -8.658 0.878 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.137 -6.539 0.349 1.00 0.00 C ATOM 0 H LEU A 42 -10.261 -6.613 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.106 -8.562 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.229 -6.790 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.943 -5.819 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.438 -7.955 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.875 -9.154 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.195 -9.380 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.559 -8.248 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.086 -7.053 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.811 -6.091 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.265 -5.758 -0.400 1.00 0.00 H new ATOM 645 N THR A 43 -13.218 -6.447 -3.067 1.00 0.00 N ATOM 646 CA THR A 43 -13.499 -5.804 -4.345 1.00 0.00 C ATOM 647 C THR A 43 -14.740 -4.928 -4.259 1.00 0.00 C ATOM 648 O THR A 43 -15.470 -4.757 -5.236 1.00 0.00 O ATOM 649 CB THR A 43 -13.665 -6.850 -5.440 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.979 -8.116 -4.889 1.00 0.00 O ATOM 651 CG2 THR A 43 -12.418 -7.002 -6.268 1.00 0.00 C ATOM 0 H THR A 43 -14.030 -6.549 -2.459 1.00 0.00 H new ATOM 0 HA THR A 43 -12.652 -5.165 -4.593 1.00 0.00 H new ATOM 0 HB THR A 43 -14.479 -6.499 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.082 -8.770 -5.611 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.581 -7.758 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.177 -6.050 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.591 -7.309 -5.627 1.00 0.00 H new ATOM 659 N ILE A 44 -14.959 -4.366 -3.081 1.00 0.00 N ATOM 660 CA ILE A 44 -16.100 -3.484 -2.838 1.00 0.00 C ATOM 661 C ILE A 44 -17.437 -4.133 -3.209 1.00 0.00 C ATOM 662 O ILE A 44 -18.485 -3.490 -3.144 1.00 0.00 O ATOM 663 CB ILE A 44 -15.937 -2.176 -3.624 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.579 -1.550 -3.306 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.066 -1.203 -3.304 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.465 -2.031 -4.204 1.00 0.00 C ATOM 0 H ILE A 44 -14.358 -4.504 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.116 -3.281 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.984 -2.400 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.660 -0.466 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.320 -1.771 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.927 -0.284 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.022 -1.654 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.058 -0.974 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.532 -1.544 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.356 -3.111 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.701 -1.786 -5.240 1.00 0.00 H new ATOM 678 N ALA A 45 -17.404 -5.405 -3.587 1.00 0.00 N ATOM 679 CA ALA A 45 -18.617 -6.122 -3.952 1.00 0.00 C ATOM 680 C ALA A 45 -19.262 -6.749 -2.722 1.00 0.00 C ATOM 681 O ALA A 45 -20.461 -7.028 -2.709 1.00 0.00 O ATOM 682 CB ALA A 45 -18.308 -7.185 -4.995 1.00 0.00 C ATOM 0 H ALA A 45 -16.550 -5.960 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.323 -5.411 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.224 -7.713 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.893 -6.712 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.585 -7.893 -4.590 1.00 0.00 H new ATOM 688 N SER A 46 -18.456 -6.967 -1.686 1.00 0.00 N ATOM 689 CA SER A 46 -18.945 -7.558 -0.447 1.00 0.00 C ATOM 690 C SER A 46 -18.997 -6.520 0.671 1.00 0.00 C ATOM 691 O SER A 46 -19.813 -6.627 1.587 1.00 0.00 O ATOM 692 CB SER A 46 -18.059 -8.734 -0.030 1.00 0.00 C ATOM 693 OG SER A 46 -18.582 -9.961 -0.510 1.00 0.00 O ATOM 0 H SER A 46 -17.461 -6.743 -1.682 1.00 0.00 H new ATOM 0 HA SER A 46 -19.957 -7.922 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.050 -8.589 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.982 -8.768 1.057 1.00 0.00 H new ATOM 0 HG SER A 46 -17.997 -10.697 -0.232 1.00 0.00 H new ATOM 699 N GLY A 47 -18.128 -5.512 0.593 1.00 0.00 N ATOM 700 CA GLY A 47 -18.113 -4.477 1.612 1.00 0.00 C ATOM 701 C GLY A 47 -16.811 -3.694 1.662 1.00 0.00 C ATOM 702 O GLY A 47 -16.018 -3.859 2.589 1.00 0.00 O ATOM 0 H GLY A 47 -17.440 -5.395 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.936 -3.786 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.290 -4.934 2.585 1.00 0.00 H new ATOM 706 N ALA A 48 -16.596 -2.829 0.673 1.00 0.00 N ATOM 707 CA ALA A 48 -15.388 -2.006 0.624 1.00 0.00 C ATOM 708 C ALA A 48 -15.638 -0.702 -0.125 1.00 0.00 C ATOM 709 O ALA A 48 -16.713 -0.493 -0.686 1.00 0.00 O ATOM 710 CB ALA A 48 -14.237 -2.766 -0.015 1.00 0.00 C ATOM 0 H ALA A 48 -17.240 -2.679 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.116 -1.764 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.351 -2.132 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.025 -3.663 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.508 -3.049 -1.032 1.00 0.00 H new ATOM 716 N ARG A 49 -14.637 0.174 -0.128 1.00 0.00 N ATOM 717 CA ARG A 49 -14.746 1.461 -0.808 1.00 0.00 C ATOM 718 C ARG A 49 -13.938 1.455 -2.101 1.00 0.00 C ATOM 719 O ARG A 49 -12.900 0.801 -2.192 1.00 0.00 O ATOM 720 CB ARG A 49 -14.261 2.595 0.101 1.00 0.00 C ATOM 721 CG ARG A 49 -14.626 2.415 1.568 1.00 0.00 C ATOM 722 CD ARG A 49 -16.030 2.919 1.860 1.00 0.00 C ATOM 723 NE ARG A 49 -17.045 2.151 1.146 1.00 0.00 N ATOM 724 CZ ARG A 49 -18.333 2.487 1.098 1.00 0.00 C ATOM 725 NH1 ARG A 49 -18.767 3.573 1.725 1.00 0.00 N ATOM 726 NH2 ARG A 49 -19.189 1.734 0.422 1.00 0.00 N ATOM 0 H ARG A 49 -13.741 0.016 0.333 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.796 1.627 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.178 2.677 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.681 3.536 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.554 1.361 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.909 2.951 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.220 2.863 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.104 3.969 1.578 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.751 1.307 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.113 4.156 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.755 3.825 1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.861 0.898 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.175 1.991 0.385 1.00 0.00 H new ATOM 740 N GLU A 50 -14.419 2.188 -3.101 1.00 0.00 N ATOM 741 CA GLU A 50 -13.738 2.266 -4.391 1.00 0.00 C ATOM 742 C GLU A 50 -12.259 2.600 -4.206 1.00 0.00 C ATOM 743 O GLU A 50 -11.387 2.052 -4.890 1.00 0.00 O ATOM 744 CB GLU A 50 -14.406 3.324 -5.272 1.00 0.00 C ATOM 745 CG GLU A 50 -13.958 3.283 -6.723 1.00 0.00 C ATOM 746 CD GLU A 50 -14.640 4.337 -7.573 1.00 0.00 C ATOM 747 OE1 GLU A 50 -15.872 4.247 -7.754 1.00 0.00 O ATOM 748 OE2 GLU A 50 -13.941 5.251 -8.058 1.00 0.00 O ATOM 0 H GLU A 50 -15.277 2.736 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.812 1.293 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.487 3.188 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.193 4.312 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.878 3.426 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.167 2.296 -7.136 1.00 0.00 H new ATOM 755 N SER A 51 -11.986 3.499 -3.270 1.00 0.00 N ATOM 756 CA SER A 51 -10.622 3.918 -2.974 1.00 0.00 C ATOM 757 C SER A 51 -9.698 2.713 -2.808 1.00 0.00 C ATOM 758 O SER A 51 -8.677 2.610 -3.488 1.00 0.00 O ATOM 759 CB SER A 51 -10.607 4.765 -1.709 1.00 0.00 C ATOM 760 OG SER A 51 -11.514 4.259 -0.745 1.00 0.00 O ATOM 0 H SER A 51 -12.697 3.955 -2.699 1.00 0.00 H new ATOM 0 HA SER A 51 -10.256 4.510 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.600 4.783 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.869 5.794 -1.954 1.00 0.00 H new ATOM 0 HG SER A 51 -11.135 3.457 -0.328 1.00 0.00 H new ATOM 766 N GLU A 52 -10.064 1.801 -1.903 1.00 0.00 N ATOM 767 CA GLU A 52 -9.272 0.599 -1.651 1.00 0.00 C ATOM 768 C GLU A 52 -8.738 0.011 -2.955 1.00 0.00 C ATOM 769 O GLU A 52 -7.527 -0.058 -3.166 1.00 0.00 O ATOM 770 CB GLU A 52 -10.122 -0.443 -0.920 1.00 0.00 C ATOM 771 CG GLU A 52 -10.124 -0.283 0.594 1.00 0.00 C ATOM 772 CD GLU A 52 -10.323 1.154 1.036 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.168 1.849 0.433 1.00 0.00 O ATOM 774 OE2 GLU A 52 -9.634 1.585 1.984 1.00 0.00 O ATOM 0 H GLU A 52 -10.906 1.875 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.422 0.876 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.148 -0.381 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.754 -1.438 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.915 -0.901 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.180 -0.654 0.995 1.00 0.00 H new ATOM 781 N LYS A 53 -9.651 -0.404 -3.830 1.00 0.00 N ATOM 782 CA LYS A 53 -9.267 -0.975 -5.117 1.00 0.00 C ATOM 783 C LYS A 53 -8.339 -0.026 -5.874 1.00 0.00 C ATOM 784 O LYS A 53 -7.372 -0.458 -6.502 1.00 0.00 O ATOM 785 CB LYS A 53 -10.510 -1.302 -5.962 1.00 0.00 C ATOM 786 CG LYS A 53 -11.040 -0.138 -6.790 1.00 0.00 C ATOM 787 CD LYS A 53 -12.501 0.146 -6.514 1.00 0.00 C ATOM 788 CE LYS A 53 -13.402 -0.462 -7.577 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.364 -1.951 -7.555 1.00 0.00 N ATOM 0 H LYS A 53 -10.657 -0.356 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.728 -1.904 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.270 -2.128 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.302 -1.649 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.452 0.755 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.909 -0.359 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.771 -0.253 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.661 1.223 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.426 -0.123 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.094 -0.106 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.964 -2.301 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.772 -2.271 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.329 -2.321 -7.438 1.00 0.00 H new ATOM 803 N VAL A 54 -8.638 1.270 -5.806 1.00 0.00 N ATOM 804 CA VAL A 54 -7.824 2.270 -6.482 1.00 0.00 C ATOM 805 C VAL A 54 -6.420 2.278 -5.900 1.00 0.00 C ATOM 806 O VAL A 54 -5.428 2.332 -6.628 1.00 0.00 O ATOM 807 CB VAL A 54 -8.433 3.680 -6.356 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.629 4.686 -7.166 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.889 3.676 -6.797 1.00 0.00 C ATOM 0 H VAL A 54 -9.434 1.648 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.789 2.005 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.394 3.977 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.075 5.675 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.603 4.711 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.632 4.393 -8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.301 4.680 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.953 3.356 -7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.457 2.989 -6.170 1.00 0.00 H new ATOM 819 N PHE A 55 -6.351 2.209 -4.577 1.00 0.00 N ATOM 820 CA PHE A 55 -5.073 2.194 -3.880 1.00 0.00 C ATOM 821 C PHE A 55 -4.284 0.942 -4.247 1.00 0.00 C ATOM 822 O PHE A 55 -3.056 0.965 -4.310 1.00 0.00 O ATOM 823 CB PHE A 55 -5.291 2.257 -2.367 1.00 0.00 C ATOM 824 CG PHE A 55 -4.314 3.147 -1.651 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.958 3.080 -1.932 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.752 4.051 -0.696 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.059 3.897 -1.274 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.857 4.870 -0.035 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.509 4.794 -0.325 1.00 0.00 C ATOM 0 H PHE A 55 -7.166 2.163 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.501 3.070 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.303 2.611 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.219 1.250 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.600 2.381 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.805 4.116 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.005 3.834 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.211 5.569 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.808 5.435 0.189 1.00 0.00 H new ATOM 839 N ALA A 56 -5.003 -0.150 -4.494 1.00 0.00 N ATOM 840 CA ALA A 56 -4.376 -1.414 -4.860 1.00 0.00 C ATOM 841 C ALA A 56 -3.743 -1.330 -6.242 1.00 0.00 C ATOM 842 O ALA A 56 -2.539 -1.531 -6.398 1.00 0.00 O ATOM 843 CB ALA A 56 -5.396 -2.543 -4.814 1.00 0.00 C ATOM 0 H ALA A 56 -6.021 -0.183 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.587 -1.622 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.913 -3.481 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.801 -2.626 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.205 -2.332 -5.514 1.00 0.00 H new ATOM 849 N GLN A 57 -4.562 -1.031 -7.244 1.00 0.00 N ATOM 850 CA GLN A 57 -4.080 -0.920 -8.615 1.00 0.00 C ATOM 851 C GLN A 57 -2.956 0.107 -8.713 1.00 0.00 C ATOM 852 O GLN A 57 -1.994 -0.080 -9.459 1.00 0.00 O ATOM 853 CB GLN A 57 -5.225 -0.530 -9.552 1.00 0.00 C ATOM 854 CG GLN A 57 -6.474 -1.380 -9.373 1.00 0.00 C ATOM 855 CD GLN A 57 -6.795 -2.213 -10.598 1.00 0.00 C ATOM 856 OE1 GLN A 57 -7.562 -1.792 -11.465 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.209 -3.402 -10.677 1.00 0.00 N ATOM 0 H GLN A 57 -5.562 -0.861 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.689 -1.892 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.480 0.516 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.884 -0.613 -10.584 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.340 -2.039 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.321 -0.732 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.580 -3.711 -9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.388 -4.006 -11.479 1.00 0.00 H new ATOM 866 N THR A 58 -3.081 1.189 -7.950 1.00 0.00 N ATOM 867 CA THR A 58 -2.074 2.240 -7.953 1.00 0.00 C ATOM 868 C THR A 58 -0.749 1.719 -7.412 1.00 0.00 C ATOM 869 O THR A 58 0.264 1.726 -8.114 1.00 0.00 O ATOM 870 CB THR A 58 -2.546 3.434 -7.124 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.144 3.000 -5.916 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.549 4.305 -7.848 1.00 0.00 C ATOM 0 H THR A 58 -3.868 1.359 -7.324 1.00 0.00 H new ATOM 0 HA THR A 58 -1.924 2.564 -8.983 1.00 0.00 H new ATOM 0 HB THR A 58 -1.651 4.025 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.119 3.062 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.843 5.134 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.099 4.696 -8.761 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.429 3.713 -8.102 1.00 0.00 H new ATOM 880 N VAL A 59 -0.756 1.263 -6.162 1.00 0.00 N ATOM 881 CA VAL A 59 0.457 0.742 -5.552 1.00 0.00 C ATOM 882 C VAL A 59 0.958 -0.482 -6.306 1.00 0.00 C ATOM 883 O VAL A 59 2.149 -0.595 -6.595 1.00 0.00 O ATOM 884 CB VAL A 59 0.265 0.388 -4.062 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.793 -0.684 -3.874 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.580 -0.065 -3.463 1.00 0.00 C ATOM 0 H VAL A 59 -1.579 1.245 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 59 1.199 1.538 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.077 1.285 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.900 -0.907 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.745 -0.329 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.494 -1.587 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.435 -0.313 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.939 -0.945 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.314 0.736 -3.549 1.00 0.00 H new ATOM 896 N LEU A 60 0.048 -1.394 -6.641 1.00 0.00 N ATOM 897 CA LEU A 60 0.423 -2.592 -7.376 1.00 0.00 C ATOM 898 C LEU A 60 1.128 -2.216 -8.676 1.00 0.00 C ATOM 899 O LEU A 60 2.096 -2.860 -9.081 1.00 0.00 O ATOM 900 CB LEU A 60 -0.812 -3.442 -7.676 1.00 0.00 C ATOM 901 CG LEU A 60 -0.546 -4.678 -8.533 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.185 -5.867 -7.657 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.754 -4.996 -9.405 1.00 0.00 C ATOM 0 H LEU A 60 -0.945 -1.325 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 60 1.108 -3.175 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.255 -3.760 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.551 -2.819 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 60 0.300 -4.468 -9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.001 -6.738 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.712 -5.636 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.008 -6.080 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.545 -5.880 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.620 -5.186 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.962 -4.150 -10.060 1.00 0.00 H new ATOM 915 N SER A 61 0.634 -1.164 -9.322 1.00 0.00 N ATOM 916 CA SER A 61 1.213 -0.692 -10.575 1.00 0.00 C ATOM 917 C SER A 61 2.630 -0.172 -10.364 1.00 0.00 C ATOM 918 O SER A 61 3.580 -0.673 -10.965 1.00 0.00 O ATOM 919 CB SER A 61 0.350 0.414 -11.176 1.00 0.00 C ATOM 920 OG SER A 61 -0.872 -0.102 -11.674 1.00 0.00 O ATOM 0 H SER A 61 -0.167 -0.622 -8.998 1.00 0.00 H new ATOM 0 HA SER A 61 1.250 -1.537 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.146 1.171 -10.419 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.895 0.907 -11.981 1.00 0.00 H new ATOM 0 HG SER A 61 -1.475 -0.295 -10.926 1.00 0.00 H new ATOM 926 N HIS A 62 2.769 0.835 -9.503 1.00 0.00 N ATOM 927 CA HIS A 62 4.075 1.415 -9.216 1.00 0.00 C ATOM 928 C HIS A 62 5.043 0.330 -8.775 1.00 0.00 C ATOM 929 O HIS A 62 6.197 0.294 -9.201 1.00 0.00 O ATOM 930 CB HIS A 62 3.958 2.484 -8.128 1.00 0.00 C ATOM 931 CG HIS A 62 2.777 3.387 -8.301 1.00 0.00 C ATOM 932 ND1 HIS A 62 1.886 3.665 -7.285 1.00 0.00 N ATOM 933 CD2 HIS A 62 2.336 4.072 -9.383 1.00 0.00 C ATOM 934 CE1 HIS A 62 0.949 4.480 -7.735 1.00 0.00 C ATOM 935 NE2 HIS A 62 1.199 4.741 -9.005 1.00 0.00 N ATOM 0 H HIS A 62 1.995 1.263 -8.995 1.00 0.00 H new ATOM 0 HA HIS A 62 4.454 1.882 -10.125 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.892 1.996 -7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.867 3.085 -8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.794 4.089 -10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.120 4.867 -7.162 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.638 5.343 -9.608 1.00 0.00 H new ATOM 944 N VAL A 63 4.552 -0.562 -7.927 1.00 0.00 N ATOM 945 CA VAL A 63 5.354 -1.666 -7.427 1.00 0.00 C ATOM 946 C VAL A 63 5.249 -2.865 -8.360 1.00 0.00 C ATOM 947 O VAL A 63 4.909 -3.970 -7.934 1.00 0.00 O ATOM 948 CB VAL A 63 4.918 -2.095 -6.022 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.012 -2.877 -5.327 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.489 -0.901 -5.183 1.00 0.00 C ATOM 0 H VAL A 63 3.597 -0.541 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 63 6.385 -1.316 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 63 4.053 -2.749 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.675 -3.168 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.246 -3.770 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.904 -2.257 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.186 -1.242 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.322 -0.205 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.651 -0.399 -5.666 1.00 0.00 H new ATOM 960 N ALA A 64 5.538 -2.643 -9.636 1.00 0.00 N ATOM 961 CA ALA A 64 5.470 -3.706 -10.628 1.00 0.00 C ATOM 962 C ALA A 64 6.761 -4.527 -10.652 1.00 0.00 C ATOM 963 O ALA A 64 7.204 -4.955 -11.717 1.00 0.00 O ATOM 964 CB ALA A 64 5.197 -3.117 -12.005 1.00 0.00 C ATOM 0 H ALA A 64 5.822 -1.736 -10.007 1.00 0.00 H new ATOM 0 HA ALA A 64 4.653 -4.373 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.148 -3.920 -12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.248 -2.580 -11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.999 -2.429 -12.272 1.00 0.00 H new ATOM 970 N ASN A 65 7.356 -4.743 -9.470 1.00 0.00 N ATOM 971 CA ASN A 65 8.604 -5.509 -9.336 1.00 0.00 C ATOM 972 C ASN A 65 9.339 -5.130 -8.050 1.00 0.00 C ATOM 973 O ASN A 65 9.526 -5.961 -7.161 1.00 0.00 O ATOM 974 CB ASN A 65 9.540 -5.277 -10.532 1.00 0.00 C ATOM 975 CG ASN A 65 9.658 -6.498 -11.421 1.00 0.00 C ATOM 976 OD1 ASN A 65 10.770 -7.214 -11.297 1.00 0.00 O flip ATOM 977 ND2 ASN A 65 8.763 -6.794 -12.210 1.00 0.00 N flip ATOM 0 H ASN A 65 6.989 -4.394 -8.585 1.00 0.00 H new ATOM 0 HA ASN A 65 8.328 -6.563 -9.303 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.171 -4.437 -11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.529 -5.000 -10.167 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.926 -6.215 -12.272 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.858 -7.619 -12.803 1.00 0.00 H new ATOM 984 N VAL A 66 9.752 -3.862 -7.965 1.00 0.00 N ATOM 985 CA VAL A 66 10.472 -3.343 -6.797 1.00 0.00 C ATOM 986 C VAL A 66 11.503 -4.346 -6.266 1.00 0.00 C ATOM 987 O VAL A 66 12.086 -5.101 -7.043 1.00 0.00 O ATOM 988 CB VAL A 66 9.487 -2.936 -5.693 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.564 -1.856 -6.221 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.711 -4.145 -5.194 1.00 0.00 C ATOM 0 H VAL A 66 9.598 -3.170 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 66 11.021 -2.458 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 66 10.037 -2.536 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.862 -1.563 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.153 -0.990 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.012 -2.237 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.018 -3.835 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.152 -4.585 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.406 -4.883 -4.792 1.00 0.00 H new ATOM 1000 N VAL A 67 11.741 -4.351 -4.953 1.00 0.00 N ATOM 1001 CA VAL A 67 12.722 -5.272 -4.376 1.00 0.00 C ATOM 1002 C VAL A 67 12.369 -5.676 -2.953 1.00 0.00 C ATOM 1003 O VAL A 67 12.749 -6.752 -2.493 1.00 0.00 O ATOM 1004 CB VAL A 67 14.147 -4.681 -4.404 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.330 -3.636 -3.312 1.00 0.00 C ATOM 1006 CG2 VAL A 67 15.180 -5.788 -4.269 1.00 0.00 C ATOM 0 H VAL A 67 11.278 -3.740 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 67 12.696 -6.164 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 67 14.291 -4.186 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.343 -3.237 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.615 -2.827 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.163 -4.095 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.181 -5.356 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.031 -6.312 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.070 -6.491 -5.095 1.00 0.00 H new ATOM 1016 N LEU A 68 11.630 -4.816 -2.276 1.00 0.00 N ATOM 1017 CA LEU A 68 11.186 -5.064 -0.906 1.00 0.00 C ATOM 1018 C LEU A 68 12.198 -5.877 -0.098 1.00 0.00 C ATOM 1019 O LEU A 68 12.121 -7.103 -0.059 1.00 0.00 O ATOM 1020 CB LEU A 68 9.845 -5.803 -0.935 1.00 0.00 C ATOM 1021 CG LEU A 68 8.808 -5.232 -1.908 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.388 -6.282 -2.924 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.594 -4.709 -1.153 1.00 0.00 C ATOM 0 H LEU A 68 11.317 -3.923 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 68 11.083 -4.096 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.028 -6.846 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.421 -5.794 0.069 1.00 0.00 H new ATOM 0 HG LEU A 68 9.267 -4.400 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.651 -5.855 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.260 -6.609 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.951 -7.136 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.870 -4.308 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.138 -5.523 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.904 -3.921 -0.466 1.00 0.00 H new ATOM 1035 N THR A 69 13.135 -5.199 0.555 1.00 0.00 N ATOM 1036 CA THR A 69 14.134 -5.895 1.359 1.00 0.00 C ATOM 1037 C THR A 69 13.525 -6.390 2.667 1.00 0.00 C ATOM 1038 O THR A 69 12.307 -6.365 2.841 1.00 0.00 O ATOM 1039 CB THR A 69 15.351 -5.007 1.638 1.00 0.00 C ATOM 1040 OG1 THR A 69 15.194 -4.296 2.855 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.628 -3.994 0.546 1.00 0.00 C ATOM 0 H THR A 69 13.224 -4.183 0.545 1.00 0.00 H new ATOM 0 HA THR A 69 14.475 -6.756 0.784 1.00 0.00 H new ATOM 0 HB THR A 69 16.194 -5.696 1.690 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.902 -3.623 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.503 -3.402 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.814 -4.514 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.766 -3.337 0.432 1.00 0.00 H new ATOM 1049 N GLN A 70 14.381 -6.853 3.576 1.00 0.00 N ATOM 1050 CA GLN A 70 13.940 -7.375 4.871 1.00 0.00 C ATOM 1051 C GLN A 70 12.807 -6.540 5.475 1.00 0.00 C ATOM 1052 O GLN A 70 11.849 -7.085 6.031 1.00 0.00 O ATOM 1053 CB GLN A 70 15.125 -7.442 5.844 1.00 0.00 C ATOM 1054 CG GLN A 70 15.528 -6.097 6.435 1.00 0.00 C ATOM 1055 CD GLN A 70 16.000 -5.106 5.388 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.565 -3.955 5.369 1.00 0.00 O ATOM 1057 NE2 GLN A 70 16.893 -5.546 4.511 1.00 0.00 N ATOM 0 H GLN A 70 15.391 -6.878 3.439 1.00 0.00 H new ATOM 0 HA GLN A 70 13.550 -8.379 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.874 -8.123 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.983 -7.869 5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.679 -5.673 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.322 -6.251 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.227 -6.508 4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.245 -4.922 3.785 1.00 0.00 H new ATOM 1066 N GLU A 71 12.920 -5.222 5.361 1.00 0.00 N ATOM 1067 CA GLU A 71 11.913 -4.318 5.898 1.00 0.00 C ATOM 1068 C GLU A 71 10.556 -4.562 5.250 1.00 0.00 C ATOM 1069 O GLU A 71 9.608 -4.975 5.917 1.00 0.00 O ATOM 1070 CB GLU A 71 12.339 -2.864 5.689 1.00 0.00 C ATOM 1071 CG GLU A 71 12.071 -1.975 6.892 1.00 0.00 C ATOM 1072 CD GLU A 71 11.851 -0.525 6.509 1.00 0.00 C ATOM 1073 OE1 GLU A 71 12.850 0.181 6.260 1.00 0.00 O ATOM 1074 OE2 GLU A 71 10.679 -0.096 6.458 1.00 0.00 O ATOM 0 H GLU A 71 13.701 -4.756 4.900 1.00 0.00 H new ATOM 0 HA GLU A 71 11.822 -4.513 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.403 -2.835 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.813 -2.460 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.193 -2.344 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.912 -2.041 7.582 1.00 0.00 H new ATOM 1081 N ASP A 72 10.468 -4.300 3.951 1.00 0.00 N ATOM 1082 CA ASP A 72 9.221 -4.486 3.223 1.00 0.00 C ATOM 1083 C ASP A 72 8.733 -5.932 3.320 1.00 0.00 C ATOM 1084 O ASP A 72 7.557 -6.173 3.575 1.00 0.00 O ATOM 1085 CB ASP A 72 9.383 -4.067 1.768 1.00 0.00 C ATOM 1086 CG ASP A 72 9.872 -2.638 1.633 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.233 -1.736 2.214 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.894 -2.420 0.950 1.00 0.00 O ATOM 0 H ASP A 72 11.243 -3.959 3.383 1.00 0.00 H new ATOM 0 HA ASP A 72 8.465 -3.849 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.087 -4.738 1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.428 -4.172 1.253 1.00 0.00 H new ATOM 1093 N THR A 73 9.635 -6.901 3.142 1.00 0.00 N ATOM 1094 CA THR A 73 9.254 -8.313 3.244 1.00 0.00 C ATOM 1095 C THR A 73 8.457 -8.538 4.524 1.00 0.00 C ATOM 1096 O THR A 73 7.294 -8.965 4.497 1.00 0.00 O ATOM 1097 CB THR A 73 10.491 -9.212 3.246 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.616 -8.517 3.747 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.846 -9.743 1.876 1.00 0.00 C ATOM 0 H THR A 73 10.619 -6.738 2.930 1.00 0.00 H new ATOM 0 HA THR A 73 8.642 -8.568 2.379 1.00 0.00 H new ATOM 0 HB THR A 73 10.234 -10.055 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.951 -7.900 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.732 -10.373 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.014 -10.330 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.048 -8.909 1.204 1.00 0.00 H new ATOM 1107 N ALA A 74 9.085 -8.199 5.645 1.00 0.00 N ATOM 1108 CA ALA A 74 8.442 -8.312 6.945 1.00 0.00 C ATOM 1109 C ALA A 74 7.225 -7.406 6.971 1.00 0.00 C ATOM 1110 O ALA A 74 6.251 -7.662 7.674 1.00 0.00 O ATOM 1111 CB ALA A 74 9.413 -7.947 8.058 1.00 0.00 C ATOM 0 H ALA A 74 10.040 -7.843 5.677 1.00 0.00 H new ATOM 0 HA ALA A 74 8.128 -9.343 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.912 -8.038 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.270 -8.620 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.754 -6.921 7.922 1.00 0.00 H new ATOM 1117 N LYS A 75 7.294 -6.352 6.165 1.00 0.00 N ATOM 1118 CA LYS A 75 6.211 -5.399 6.036 1.00 0.00 C ATOM 1119 C LYS A 75 4.987 -6.104 5.451 1.00 0.00 C ATOM 1120 O LYS A 75 3.877 -5.973 5.974 1.00 0.00 O ATOM 1121 CB LYS A 75 6.667 -4.246 5.141 1.00 0.00 C ATOM 1122 CG LYS A 75 6.015 -2.909 5.434 1.00 0.00 C ATOM 1123 CD LYS A 75 6.865 -2.066 6.368 1.00 0.00 C ATOM 1124 CE LYS A 75 7.967 -1.337 5.616 1.00 0.00 C ATOM 1125 NZ LYS A 75 7.633 0.098 5.396 1.00 0.00 N ATOM 0 H LYS A 75 8.105 -6.139 5.585 1.00 0.00 H new ATOM 0 HA LYS A 75 5.939 -4.994 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.747 -4.135 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.467 -4.511 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.854 -2.369 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.034 -3.072 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.233 -1.341 6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.307 -2.703 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.899 -1.411 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.133 -1.823 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.506 0.663 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.157 0.207 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.002 0.428 6.154 1.00 0.00 H new ATOM 1139 N LEU A 76 5.198 -6.891 4.384 1.00 0.00 N ATOM 1140 CA LEU A 76 4.097 -7.639 3.781 1.00 0.00 C ATOM 1141 C LEU A 76 3.530 -8.599 4.816 1.00 0.00 C ATOM 1142 O LEU A 76 2.353 -8.536 5.175 1.00 0.00 O ATOM 1143 CB LEU A 76 4.534 -8.477 2.565 1.00 0.00 C ATOM 1144 CG LEU A 76 5.111 -7.721 1.364 1.00 0.00 C ATOM 1145 CD1 LEU A 76 4.427 -6.388 1.176 1.00 0.00 C ATOM 1146 CD2 LEU A 76 6.610 -7.541 1.517 1.00 0.00 C ATOM 0 H LEU A 76 6.103 -7.021 3.933 1.00 0.00 H new ATOM 0 HA LEU A 76 3.363 -6.906 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.280 -9.197 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.672 -9.049 2.222 1.00 0.00 H new ATOM 0 HG LEU A 76 4.925 -8.318 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.859 -5.876 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.362 -6.546 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.566 -5.779 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.002 -7.002 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.818 -6.974 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.089 -8.518 1.582 1.00 0.00 H new ATOM 1158 N LEU A 77 4.400 -9.495 5.292 1.00 0.00 N ATOM 1159 CA LEU A 77 4.012 -10.489 6.290 1.00 0.00 C ATOM 1160 C LEU A 77 3.409 -9.820 7.517 1.00 0.00 C ATOM 1161 O LEU A 77 2.548 -10.387 8.185 1.00 0.00 O ATOM 1162 CB LEU A 77 5.217 -11.338 6.708 1.00 0.00 C ATOM 1163 CG LEU A 77 6.180 -11.712 5.582 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.172 -12.763 6.058 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.418 -12.209 4.361 1.00 0.00 C ATOM 0 H LEU A 77 5.376 -9.550 5.001 1.00 0.00 H new ATOM 0 HA LEU A 77 3.261 -11.137 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.773 -10.796 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.851 -12.255 7.169 1.00 0.00 H new ATOM 0 HG LEU A 77 6.734 -10.818 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.850 -13.018 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.745 -12.369 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.633 -13.656 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.124 -12.469 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.834 -13.089 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.750 -11.425 4.005 1.00 0.00 H new ATOM 1177 N GLN A 78 3.868 -8.611 7.808 1.00 0.00 N ATOM 1178 CA GLN A 78 3.369 -7.869 8.953 1.00 0.00 C ATOM 1179 C GLN A 78 1.893 -7.547 8.771 1.00 0.00 C ATOM 1180 O GLN A 78 1.069 -7.828 9.642 1.00 0.00 O ATOM 1181 CB GLN A 78 4.167 -6.577 9.145 1.00 0.00 C ATOM 1182 CG GLN A 78 5.296 -6.703 10.156 1.00 0.00 C ATOM 1183 CD GLN A 78 5.221 -5.662 11.256 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.231 -4.940 11.378 1.00 0.00 O ATOM 1185 NE2 GLN A 78 6.270 -5.580 12.065 1.00 0.00 N ATOM 0 H GLN A 78 4.584 -8.125 7.267 1.00 0.00 H new ATOM 0 HA GLN A 78 3.489 -8.488 9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.583 -6.271 8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.490 -5.786 9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.269 -7.698 10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.251 -6.611 9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.070 -6.198 11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.277 -4.899 12.824 1.00 0.00 H new ATOM 1194 N SER A 79 1.567 -6.959 7.626 1.00 0.00 N ATOM 1195 CA SER A 79 0.190 -6.598 7.319 1.00 0.00 C ATOM 1196 C SER A 79 -0.675 -7.840 7.111 1.00 0.00 C ATOM 1197 O SER A 79 -1.889 -7.800 7.311 1.00 0.00 O ATOM 1198 CB SER A 79 0.142 -5.718 6.070 1.00 0.00 C ATOM 1199 OG SER A 79 -0.866 -4.729 6.181 1.00 0.00 O ATOM 0 H SER A 79 2.238 -6.722 6.895 1.00 0.00 H new ATOM 0 HA SER A 79 -0.208 -6.043 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.110 -5.240 5.921 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.046 -6.337 5.193 1.00 0.00 H new ATOM 0 HG SER A 79 -1.221 -4.522 5.291 1.00 0.00 H new ATOM 1205 N THR A 80 -0.049 -8.939 6.698 1.00 0.00 N ATOM 1206 CA THR A 80 -0.776 -10.182 6.456 1.00 0.00 C ATOM 1207 C THR A 80 -0.925 -10.998 7.740 1.00 0.00 C ATOM 1208 O THR A 80 -1.898 -11.733 7.909 1.00 0.00 O ATOM 1209 CB THR A 80 -0.073 -11.007 5.368 1.00 0.00 C ATOM 1210 OG1 THR A 80 -1.017 -11.731 4.601 1.00 0.00 O ATOM 1211 CG2 THR A 80 0.939 -12.003 5.901 1.00 0.00 C ATOM 0 H THR A 80 0.955 -8.994 6.525 1.00 0.00 H new ATOM 0 HA THR A 80 -1.777 -9.926 6.109 1.00 0.00 H new ATOM 0 HB THR A 80 0.460 -10.272 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.551 -12.249 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.390 -12.544 5.069 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.716 -11.473 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.440 -12.709 6.565 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.879 -11.303 0.791 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.322 -10.879 -0.534 1.00 0.00 C ATOM 1324 C ASN A 87 -3.141 -10.570 -1.450 1.00 0.00 C ATOM 1325 O ASN A 87 -3.308 -10.439 -2.667 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.221 -9.648 -0.418 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.572 -8.530 0.373 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.217 -8.704 1.538 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -4.412 -7.373 -0.259 1.00 0.00 N ATOM 0 HA ASN A 87 -4.884 -11.703 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.468 -9.287 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.159 -9.930 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.980 -6.584 0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.721 -7.273 -1.226 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.945 -10.447 -0.880 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.775 -10.151 -1.686 1.00 0.00 C ATOM 1338 C TYR A 88 0.113 -11.376 -1.833 1.00 0.00 C ATOM 1339 O TYR A 88 0.105 -12.275 -0.992 1.00 0.00 O ATOM 1340 CB TYR A 88 0.023 -8.982 -1.096 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.220 -8.757 0.378 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.411 -8.200 0.825 1.00 0.00 C ATOM 1343 CD2 TYR A 88 0.737 -9.105 1.320 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -1.641 -7.997 2.170 1.00 0.00 C ATOM 1345 CE2 TYR A 88 0.514 -8.907 2.667 1.00 0.00 C ATOM 1346 CZ TYR A 88 -0.676 -8.351 3.087 1.00 0.00 C ATOM 1347 OH TYR A 88 -0.905 -8.155 4.427 1.00 0.00 O ATOM 0 H TYR A 88 -1.767 -10.546 0.119 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.125 -9.860 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.086 -9.163 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.230 -8.071 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.169 -7.921 0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.671 -9.538 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.572 -7.563 2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.267 -9.186 3.389 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.862 -8.253 4.613 1.00 0.00 H new ATOM 1357 N ASP A 89 0.868 -11.405 -2.922 1.00 0.00 N ATOM 1358 CA ASP A 89 1.751 -12.496 -3.223 1.00 0.00 C ATOM 1359 C ASP A 89 3.183 -11.950 -3.312 1.00 0.00 C ATOM 1360 O ASP A 89 3.390 -10.777 -3.639 1.00 0.00 O ATOM 1361 CB ASP A 89 1.246 -13.128 -4.525 1.00 0.00 C ATOM 1362 CG ASP A 89 2.338 -13.668 -5.431 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.363 -14.153 -4.909 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.159 -13.616 -6.665 1.00 0.00 O ATOM 0 H ASP A 89 0.877 -10.661 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 89 1.764 -13.270 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.563 -13.940 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.671 -12.384 -5.075 1.00 0.00 H new ATOM 1369 N LEU A 90 4.163 -12.770 -2.979 1.00 0.00 N ATOM 1370 CA LEU A 90 5.550 -12.302 -2.988 1.00 0.00 C ATOM 1371 C LEU A 90 6.546 -13.347 -3.484 1.00 0.00 C ATOM 1372 O LEU A 90 6.278 -14.548 -3.481 1.00 0.00 O ATOM 1373 CB LEU A 90 5.967 -11.875 -1.576 1.00 0.00 C ATOM 1374 CG LEU A 90 5.202 -10.695 -0.970 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.442 -10.635 0.531 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.622 -9.391 -1.634 1.00 0.00 C ATOM 0 H LEU A 90 4.037 -13.744 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 90 5.577 -11.463 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.855 -12.732 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.027 -11.622 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 90 4.136 -10.838 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.894 -9.793 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.097 -11.560 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.507 -10.509 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.069 -8.563 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.690 -9.234 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.408 -9.441 -2.702 1.00 0.00 H new ATOM 1388 N ARG A 91 7.722 -12.848 -3.864 1.00 0.00 N ATOM 1389 CA ARG A 91 8.832 -13.681 -4.325 1.00 0.00 C ATOM 1390 C ARG A 91 10.105 -13.192 -3.634 1.00 0.00 C ATOM 1391 O ARG A 91 10.330 -11.993 -3.557 1.00 0.00 O ATOM 1392 CB ARG A 91 8.959 -13.608 -5.857 1.00 0.00 C ATOM 1393 CG ARG A 91 10.309 -13.110 -6.361 1.00 0.00 C ATOM 1394 CD ARG A 91 10.282 -12.839 -7.856 1.00 0.00 C ATOM 1395 NE ARG A 91 10.349 -14.071 -8.639 1.00 0.00 N ATOM 1396 CZ ARG A 91 9.284 -14.783 -9.002 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.062 -14.393 -8.657 1.00 0.00 N ATOM 1398 NH2 ARG A 91 9.440 -15.890 -9.715 1.00 0.00 N ATOM 0 H ARG A 91 7.932 -11.850 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 91 8.658 -14.726 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.775 -14.599 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.178 -12.952 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.582 -12.198 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.077 -13.851 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.370 -12.298 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.120 -12.195 -8.122 1.00 0.00 H new ATOM 0 HE ARG A 91 11.269 -14.406 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.934 -13.542 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.252 -14.945 -8.939 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.375 -16.195 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.625 -16.436 -9.994 1.00 0.00 H new ATOM 1412 N SER A 92 10.921 -14.091 -3.095 1.00 0.00 N ATOM 1413 CA SER A 92 12.120 -13.648 -2.383 1.00 0.00 C ATOM 1414 C SER A 92 13.411 -13.842 -3.169 1.00 0.00 C ATOM 1415 O SER A 92 13.545 -14.755 -3.982 1.00 0.00 O ATOM 1416 CB SER A 92 12.239 -14.346 -1.032 1.00 0.00 C ATOM 1417 OG SER A 92 12.441 -15.740 -1.190 1.00 0.00 O ATOM 0 H SER A 92 10.784 -15.101 -3.133 1.00 0.00 H new ATOM 0 HA SER A 92 11.992 -12.575 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.069 -13.917 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.335 -14.171 -0.449 1.00 0.00 H new ATOM 0 HG SER A 92 12.515 -16.162 -0.309 1.00 0.00 H new ATOM 1423 N VAL A 93 14.353 -12.949 -2.875 1.00 0.00 N ATOM 1424 CA VAL A 93 15.679 -12.921 -3.478 1.00 0.00 C ATOM 1425 C VAL A 93 16.486 -11.786 -2.822 1.00 0.00 C ATOM 1426 O VAL A 93 16.658 -11.785 -1.602 1.00 0.00 O ATOM 1427 CB VAL A 93 15.614 -12.728 -5.013 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.376 -14.054 -5.717 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.539 -11.716 -5.383 1.00 0.00 C ATOM 0 H VAL A 93 14.209 -12.205 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 93 16.166 -13.881 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 93 16.576 -12.339 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.334 -13.892 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.190 -14.741 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.433 -14.482 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.510 -11.595 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.570 -12.070 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.766 -10.757 -4.917 1.00 0.00 H new ATOM 1467 N ASN A 97 15.679 -9.629 0.118 1.00 0.00 N ATOM 1468 CA ASN A 97 14.602 -8.820 -0.423 1.00 0.00 C ATOM 1469 C ASN A 97 13.629 -9.685 -1.204 1.00 0.00 C ATOM 1470 O ASN A 97 13.927 -10.830 -1.521 1.00 0.00 O ATOM 1471 CB ASN A 97 15.148 -7.718 -1.330 1.00 0.00 C ATOM 1472 CG ASN A 97 16.544 -7.269 -0.938 1.00 0.00 C ATOM 1473 OD1 ASN A 97 16.930 -7.353 0.228 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.308 -6.787 -1.912 1.00 0.00 N ATOM 0 HA ASN A 97 14.080 -8.358 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.162 -8.075 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.474 -6.862 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.255 -6.468 -1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.948 -6.735 -2.865 1.00 0.00 H new ATOM 1481 N SER A 98 12.465 -9.134 -1.505 1.00 0.00 N ATOM 1482 CA SER A 98 11.452 -9.861 -2.245 1.00 0.00 C ATOM 1483 C SER A 98 10.771 -8.953 -3.253 1.00 0.00 C ATOM 1484 O SER A 98 10.803 -7.735 -3.135 1.00 0.00 O ATOM 1485 CB SER A 98 10.410 -10.436 -1.286 1.00 0.00 C ATOM 1486 OG SER A 98 9.196 -10.733 -1.955 1.00 0.00 O ATOM 0 H SER A 98 12.200 -8.184 -1.247 1.00 0.00 H new ATOM 0 HA SER A 98 11.939 -10.677 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.802 -11.341 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.220 -9.723 -0.484 1.00 0.00 H new ATOM 0 HG SER A 98 9.391 -11.199 -2.795 1.00 0.00 H new ATOM 1492 N VAL A 99 10.128 -9.559 -4.225 1.00 0.00 N ATOM 1493 CA VAL A 99 9.415 -8.821 -5.240 1.00 0.00 C ATOM 1494 C VAL A 99 7.934 -8.902 -4.926 1.00 0.00 C ATOM 1495 O VAL A 99 7.483 -9.881 -4.318 1.00 0.00 O ATOM 1496 CB VAL A 99 9.709 -9.402 -6.639 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.426 -9.706 -7.399 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.606 -8.464 -7.435 1.00 0.00 C ATOM 0 H VAL A 99 10.085 -10.572 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 99 9.738 -7.780 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 99 10.238 -10.345 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.672 -10.114 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.836 -10.433 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.850 -8.789 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.800 -8.893 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.112 -7.500 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.549 -8.327 -6.906 1.00 0.00 H new ATOM 1508 N LEU A 100 7.178 -7.875 -5.300 1.00 0.00 N ATOM 1509 CA LEU A 100 5.765 -7.875 -4.992 1.00 0.00 C ATOM 1510 C LEU A 100 4.887 -8.197 -6.178 1.00 0.00 C ATOM 1511 O LEU A 100 4.725 -7.403 -7.105 1.00 0.00 O ATOM 1512 CB LEU A 100 5.316 -6.553 -4.396 1.00 0.00 C ATOM 1513 CG LEU A 100 3.806 -6.271 -4.501 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.124 -6.479 -3.160 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.548 -4.869 -5.029 1.00 0.00 C ATOM 0 H LEU A 100 7.515 -7.055 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 100 5.644 -8.672 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.602 -6.530 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.856 -5.746 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 100 3.380 -6.980 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.058 -6.274 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.267 -7.510 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.557 -5.803 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.474 -4.696 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.993 -4.138 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.992 -4.766 -6.019 1.00 0.00 H new ATOM 1527 N VAL A 101 4.237 -9.330 -6.058 1.00 0.00 N ATOM 1528 CA VAL A 101 3.255 -9.768 -7.011 1.00 0.00 C ATOM 1529 C VAL A 101 2.038 -10.040 -6.153 1.00 0.00 C ATOM 1530 O VAL A 101 2.017 -10.983 -5.381 1.00 0.00 O ATOM 1531 CB VAL A 101 3.700 -11.029 -7.788 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.382 -12.022 -6.860 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.523 -11.675 -8.510 1.00 0.00 C ATOM 0 H VAL A 101 4.380 -9.979 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 101 3.076 -9.028 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 101 4.423 -10.720 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.686 -12.901 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.260 -11.557 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.689 -12.320 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.867 -12.559 -9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.764 -11.964 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.095 -10.964 -9.217 1.00 0.00 H new ATOM 1543 N SER A 102 1.073 -9.156 -6.179 1.00 0.00 N ATOM 1544 CA SER A 102 -0.049 -9.306 -5.280 1.00 0.00 C ATOM 1545 C SER A 102 -1.359 -8.888 -5.871 1.00 0.00 C ATOM 1546 O SER A 102 -1.412 -8.170 -6.869 1.00 0.00 O ATOM 1547 CB SER A 102 0.204 -8.456 -4.033 1.00 0.00 C ATOM 1548 OG SER A 102 0.675 -7.167 -4.385 1.00 0.00 O ATOM 0 H SER A 102 1.037 -8.344 -6.795 1.00 0.00 H new ATOM 0 HA SER A 102 -0.124 -10.369 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.717 -8.366 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.934 -8.951 -3.392 1.00 0.00 H new ATOM 0 HG SER A 102 0.246 -6.495 -3.815 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.416 -9.305 -5.182 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.767 -8.952 -5.538 1.00 0.00 C ATOM 1556 C LEU A 103 -4.771 -9.968 -5.034 1.00 0.00 C ATOM 1557 O LEU A 103 -5.329 -9.813 -3.947 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.942 -8.697 -7.045 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.995 -7.213 -7.473 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.430 -6.773 -7.706 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.339 -6.291 -6.444 1.00 0.00 C ATOM 0 H LEU A 103 -2.349 -9.901 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.970 -8.007 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.120 -9.179 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.861 -9.183 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.432 -7.134 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.445 -5.725 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.874 -7.383 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.002 -6.895 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.401 -5.259 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.855 -6.386 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.293 -6.570 -6.320 1.00 0.00 H new ATOM 1573 N ARG A 104 -5.025 -10.987 -5.828 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.999 -12.002 -5.449 1.00 0.00 C ATOM 1575 C ARG A 104 -7.370 -11.341 -5.262 1.00 0.00 C ATOM 1576 O ARG A 104 -8.246 -11.868 -4.578 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.549 -12.693 -4.158 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.987 -14.089 -4.377 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.668 -14.047 -5.134 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.549 -14.498 -4.310 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.358 -15.764 -3.947 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.205 -16.708 -4.336 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.316 -16.087 -3.194 1.00 0.00 N ATOM 0 H ARG A 104 -4.578 -11.138 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.075 -12.755 -6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.792 -12.078 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.396 -12.755 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.840 -14.578 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.707 -14.689 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.740 -14.674 -6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.479 -13.030 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.874 -13.801 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.008 -16.465 -4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.053 -17.677 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.661 -15.365 -2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.169 -17.057 -2.916 1.00 0.00 H new ATOM 1597 N SER A 105 -7.507 -10.163 -5.883 1.00 0.00 N ATOM 1598 CA SER A 105 -8.712 -9.330 -5.840 1.00 0.00 C ATOM 1599 C SER A 105 -8.279 -7.873 -5.833 1.00 0.00 C ATOM 1600 O SER A 105 -7.084 -7.587 -5.798 1.00 0.00 O ATOM 1601 CB SER A 105 -9.589 -9.623 -4.620 1.00 0.00 C ATOM 1602 OG SER A 105 -10.401 -10.765 -4.838 1.00 0.00 O ATOM 0 H SER A 105 -6.761 -9.753 -6.445 1.00 0.00 H new ATOM 0 HA SER A 105 -9.319 -9.556 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.959 -9.783 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.219 -8.760 -4.406 1.00 0.00 H new ATOM 0 HG SER A 105 -9.857 -11.575 -4.750 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.227 -6.951 -5.871 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.878 -5.539 -5.878 1.00 0.00 C ATOM 1610 C ASP A 106 -9.120 -4.911 -4.517 1.00 0.00 C ATOM 1611 O ASP A 106 -10.246 -4.568 -4.176 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.726 -4.811 -6.918 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.996 -4.617 -8.233 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -8.681 -5.631 -8.892 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.737 -3.453 -8.603 1.00 0.00 O ATOM 0 H ASP A 106 -10.227 -7.149 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.819 -5.450 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.642 -5.376 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.022 -3.839 -6.524 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.044 -4.737 -3.761 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.119 -4.122 -2.447 1.00 0.00 C ATOM 1622 C GLN A 107 -6.740 -3.786 -1.913 1.00 0.00 C ATOM 1623 O GLN A 107 -5.764 -4.467 -2.229 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.859 -5.009 -1.475 1.00 0.00 C ATOM 1625 CG GLN A 107 -9.714 -4.195 -0.551 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.147 -4.113 -0.981 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.061 -4.276 -0.181 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -11.334 -3.827 -2.251 1.00 0.00 N ATOM 0 H GLN A 107 -7.103 -5.016 -4.040 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.675 -3.190 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.481 -5.717 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.145 -5.594 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.667 -4.626 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.305 -3.187 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.532 -3.703 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.281 -3.730 -2.618 1.00 0.00 H new ATOM 1637 N MET A 108 -6.659 -2.759 -1.079 1.00 0.00 N ATOM 1638 CA MET A 108 -5.387 -2.387 -0.491 1.00 0.00 C ATOM 1639 C MET A 108 -5.572 -1.679 0.844 1.00 0.00 C ATOM 1640 O MET A 108 -6.557 -0.973 1.059 1.00 0.00 O ATOM 1641 CB MET A 108 -4.562 -1.516 -1.435 1.00 0.00 C ATOM 1642 CG MET A 108 -3.062 -1.653 -1.209 1.00 0.00 C ATOM 1643 SD MET A 108 -2.319 -2.937 -2.233 1.00 0.00 S ATOM 1644 CE MET A 108 -2.590 -4.384 -1.214 1.00 0.00 C ATOM 0 H MET A 108 -7.449 -2.178 -0.799 1.00 0.00 H new ATOM 0 HA MET A 108 -4.841 -3.314 -0.316 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.795 -1.784 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.850 -0.473 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.578 -0.700 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.876 -1.878 -0.159 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.703 -5.017 -1.238 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.787 -4.074 -0.188 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.445 -4.942 -1.595 1.00 0.00 H new ATOM 1654 N THR A 109 -4.610 -1.880 1.737 1.00 0.00 N ATOM 1655 CA THR A 109 -4.647 -1.272 3.059 1.00 0.00 C ATOM 1656 C THR A 109 -3.488 -0.288 3.221 1.00 0.00 C ATOM 1657 O THR A 109 -2.506 -0.353 2.481 1.00 0.00 O ATOM 1658 CB THR A 109 -4.611 -2.377 4.133 1.00 0.00 C ATOM 1659 OG1 THR A 109 -5.755 -2.310 4.963 1.00 0.00 O ATOM 1660 CG2 THR A 109 -3.393 -2.359 5.039 1.00 0.00 C ATOM 0 H THR A 109 -3.791 -2.463 1.567 1.00 0.00 H new ATOM 0 HA THR A 109 -5.572 -0.709 3.180 1.00 0.00 H new ATOM 0 HB THR A 109 -4.576 -3.300 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.113 -3.212 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.463 -3.175 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.491 -2.481 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.349 -1.409 5.571 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.600 0.619 4.191 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.550 1.603 4.435 1.00 0.00 C ATOM 1670 C LEU A 110 -1.189 0.922 4.508 1.00 0.00 C ATOM 1671 O LEU A 110 -0.298 1.212 3.710 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.814 2.368 5.732 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.570 3.686 5.567 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.579 3.864 6.689 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.598 4.858 5.527 1.00 0.00 C ATOM 0 H LEU A 110 -4.403 0.692 4.816 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.551 2.310 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.380 1.725 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.859 2.573 6.215 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.111 3.658 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.108 4.808 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.294 3.041 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.060 3.871 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.154 5.788 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.029 4.891 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.914 4.735 4.687 1.00 0.00 H new ATOM 1687 N GLN A 111 -1.036 0.008 5.467 1.00 0.00 N ATOM 1688 CA GLN A 111 0.220 -0.720 5.633 1.00 0.00 C ATOM 1689 C GLN A 111 0.738 -1.210 4.282 1.00 0.00 C ATOM 1690 O GLN A 111 1.784 -0.765 3.810 1.00 0.00 O ATOM 1691 CB GLN A 111 0.043 -1.905 6.583 1.00 0.00 C ATOM 1692 CG GLN A 111 1.274 -2.795 6.678 1.00 0.00 C ATOM 1693 CD GLN A 111 2.402 -2.161 7.468 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.042 -1.156 6.883 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.694 -2.570 8.592 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.763 -0.244 6.137 1.00 0.00 H new ATOM 0 HA GLN A 111 0.950 -0.035 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.203 -1.530 7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.804 -2.504 6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 111 0.997 -3.740 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.627 -3.027 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.175 -3.346 9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.455 -2.133 9.112 1.00 0.00 H new ATOM 1704 N ASP A 112 -0.014 -2.119 3.658 1.00 0.00 N ATOM 1705 CA ASP A 112 0.357 -2.661 2.354 1.00 0.00 C ATOM 1706 C ASP A 112 0.781 -1.544 1.415 1.00 0.00 C ATOM 1707 O ASP A 112 1.867 -1.579 0.833 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.815 -3.429 1.741 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.333 -4.526 2.650 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -0.659 -4.830 3.655 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.411 -5.082 2.354 1.00 0.00 O ATOM 0 H ASP A 112 -0.884 -2.494 4.037 1.00 0.00 H new ATOM 0 HA ASP A 112 1.195 -3.344 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.624 -2.733 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.502 -3.866 0.793 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.086 -0.547 1.284 1.00 0.00 N ATOM 1717 CA ALA A 113 0.184 0.594 0.425 1.00 0.00 C ATOM 1718 C ALA A 113 1.612 1.104 0.616 1.00 0.00 C ATOM 1719 O ALA A 113 2.420 1.070 -0.310 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.816 1.707 0.701 1.00 0.00 C ATOM 0 H ALA A 113 -0.985 -0.508 1.765 1.00 0.00 H new ATOM 0 HA ALA A 113 0.079 0.271 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.604 2.556 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.826 1.345 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.736 2.018 1.743 1.00 0.00 H new ATOM 1726 N LYS A 114 1.916 1.575 1.825 1.00 0.00 N ATOM 1727 CA LYS A 114 3.247 2.094 2.125 1.00 0.00 C ATOM 1728 C LYS A 114 4.311 1.005 2.028 1.00 0.00 C ATOM 1729 O LYS A 114 5.472 1.295 1.753 1.00 0.00 O ATOM 1730 CB LYS A 114 3.275 2.766 3.510 1.00 0.00 C ATOM 1731 CG LYS A 114 3.809 1.898 4.650 1.00 0.00 C ATOM 1732 CD LYS A 114 2.731 1.580 5.674 1.00 0.00 C ATOM 1733 CE LYS A 114 2.024 2.820 6.165 1.00 0.00 C ATOM 1734 NZ LYS A 114 0.635 2.908 5.642 1.00 0.00 N ATOM 0 H LYS A 114 1.262 1.607 2.607 1.00 0.00 H new ATOM 0 HA LYS A 114 3.481 2.848 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.885 3.667 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.263 3.084 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.208 0.969 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.636 2.412 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.003 0.900 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.179 1.061 6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.003 2.819 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.584 3.703 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.338 3.904 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.599 2.505 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.005 2.376 6.266 1.00 0.00 H new ATOM 1748 N VAL A 115 3.920 -0.249 2.251 1.00 0.00 N ATOM 1749 CA VAL A 115 4.874 -1.348 2.173 1.00 0.00 C ATOM 1750 C VAL A 115 5.514 -1.406 0.792 1.00 0.00 C ATOM 1751 O VAL A 115 6.730 -1.202 0.616 1.00 0.00 O ATOM 1752 CB VAL A 115 4.219 -2.708 2.441 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.244 -3.805 2.235 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.640 -2.779 3.841 1.00 0.00 C ATOM 0 H VAL A 115 2.966 -0.524 2.483 1.00 0.00 H new ATOM 0 HA VAL A 115 5.623 -1.154 2.941 1.00 0.00 H new ATOM 0 HB VAL A 115 3.394 -2.841 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.783 -4.774 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.611 -3.772 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.077 -3.659 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.184 -3.757 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.435 -2.629 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.885 -2.003 3.962 1.00 0.00 H new ATOM 1764 N LEU A 116 4.675 -1.689 -0.190 1.00 0.00 N ATOM 1765 CA LEU A 116 5.126 -1.793 -1.554 1.00 0.00 C ATOM 1766 C LEU A 116 5.670 -0.464 -2.022 1.00 0.00 C ATOM 1767 O LEU A 116 6.672 -0.424 -2.712 1.00 0.00 O ATOM 1768 CB LEU A 116 3.986 -2.242 -2.464 1.00 0.00 C ATOM 1769 CG LEU A 116 3.130 -3.414 -1.958 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.840 -4.212 -0.872 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.779 -2.916 -1.465 1.00 0.00 C ATOM 0 H LEU A 116 3.676 -1.850 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 116 5.919 -2.539 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.330 -1.389 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.408 -2.519 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 116 2.969 -4.087 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.199 -5.030 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.771 -4.617 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.059 -3.561 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.187 -3.760 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.928 -2.209 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.253 -2.422 -2.282 1.00 0.00 H new ATOM 1783 N LEU A 117 5.005 0.622 -1.639 1.00 0.00 N ATOM 1784 CA LEU A 117 5.454 1.952 -2.032 1.00 0.00 C ATOM 1785 C LEU A 117 6.765 2.298 -1.365 1.00 0.00 C ATOM 1786 O LEU A 117 7.530 3.120 -1.870 1.00 0.00 O ATOM 1787 CB LEU A 117 4.402 3.012 -1.718 1.00 0.00 C ATOM 1788 CG LEU A 117 3.545 3.397 -2.916 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.126 2.877 -2.752 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.542 4.902 -3.111 1.00 0.00 C ATOM 0 H LEU A 117 4.163 0.608 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 117 5.607 1.939 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.754 2.644 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.900 3.904 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 117 3.977 2.937 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.531 3.163 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.144 1.790 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.684 3.304 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.924 5.156 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.139 5.384 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.561 5.249 -3.281 1.00 0.00 H new ATOM 1802 N GLU A 118 7.049 1.634 -0.260 1.00 0.00 N ATOM 1803 CA GLU A 118 8.302 1.847 0.422 1.00 0.00 C ATOM 1804 C GLU A 118 9.372 1.277 -0.470 1.00 0.00 C ATOM 1805 O GLU A 118 10.340 1.951 -0.834 1.00 0.00 O ATOM 1806 CB GLU A 118 8.321 1.156 1.789 1.00 0.00 C ATOM 1807 CG GLU A 118 9.644 1.304 2.523 1.00 0.00 C ATOM 1808 CD GLU A 118 10.068 2.752 2.674 1.00 0.00 C ATOM 1809 OE1 GLU A 118 10.342 3.401 1.642 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.125 3.237 3.823 1.00 0.00 O ATOM 0 H GLU A 118 6.432 0.950 0.178 1.00 0.00 H new ATOM 0 HA GLU A 118 8.460 2.909 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.523 1.568 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.105 0.096 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.561 0.849 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.418 0.757 1.984 1.00 0.00 H new ATOM 1817 N ALA A 119 9.150 0.030 -0.867 1.00 0.00 N ATOM 1818 CA ALA A 119 10.068 -0.637 -1.766 1.00 0.00 C ATOM 1819 C ALA A 119 9.932 -0.093 -3.183 1.00 0.00 C ATOM 1820 O ALA A 119 10.834 -0.246 -4.008 1.00 0.00 O ATOM 1821 CB ALA A 119 9.848 -2.138 -1.738 1.00 0.00 C ATOM 0 H ALA A 119 8.348 -0.531 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 119 11.084 -0.436 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.548 -2.621 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 119 10.011 -2.511 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.827 -2.362 -2.047 1.00 0.00 H new ATOM 1827 N ALA A 120 8.805 0.554 -3.454 1.00 0.00 N ATOM 1828 CA ALA A 120 8.556 1.130 -4.760 1.00 0.00 C ATOM 1829 C ALA A 120 9.325 2.423 -4.901 1.00 0.00 C ATOM 1830 O ALA A 120 10.182 2.556 -5.774 1.00 0.00 O ATOM 1831 CB ALA A 120 7.070 1.368 -4.982 1.00 0.00 C ATOM 0 H ALA A 120 8.050 0.691 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 120 8.895 0.425 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.914 1.801 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.535 0.421 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.694 2.053 -4.223 1.00 0.00 H new ATOM 1837 N LEU A 121 9.034 3.372 -4.020 1.00 0.00 N ATOM 1838 CA LEU A 121 9.729 4.641 -4.045 1.00 0.00 C ATOM 1839 C LEU A 121 11.226 4.400 -3.844 1.00 0.00 C ATOM 1840 O LEU A 121 12.061 5.153 -4.334 1.00 0.00 O ATOM 1841 CB LEU A 121 9.170 5.596 -2.981 1.00 0.00 C ATOM 1842 CG LEU A 121 9.933 5.660 -1.661 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.184 7.102 -1.244 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.144 4.932 -0.610 1.00 0.00 C ATOM 0 H LEU A 121 8.328 3.284 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 121 9.574 5.116 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.137 6.599 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.141 5.306 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 121 10.906 5.184 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.729 7.118 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.772 7.606 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.231 7.616 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.679 4.971 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.168 5.404 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.011 3.892 -0.910 1.00 0.00 H new ATOM 1856 N ARG A 122 11.543 3.334 -3.102 1.00 0.00 N ATOM 1857 CA ARG A 122 12.926 2.967 -2.809 1.00 0.00 C ATOM 1858 C ARG A 122 13.676 2.483 -4.054 1.00 0.00 C ATOM 1859 O ARG A 122 14.761 2.975 -4.365 1.00 0.00 O ATOM 1860 CB ARG A 122 12.937 1.874 -1.726 1.00 0.00 C ATOM 1861 CG ARG A 122 14.077 0.868 -1.840 1.00 0.00 C ATOM 1862 CD ARG A 122 13.867 -0.320 -0.915 1.00 0.00 C ATOM 1863 NE ARG A 122 14.715 -0.248 0.273 1.00 0.00 N ATOM 1864 CZ ARG A 122 16.015 -0.536 0.276 1.00 0.00 C ATOM 1865 NH1 ARG A 122 16.621 -0.916 -0.842 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.710 -0.442 1.401 1.00 0.00 N ATOM 0 H ARG A 122 10.851 2.707 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 122 13.443 3.858 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.991 2.353 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.991 1.335 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.154 0.519 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.021 1.357 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.821 -0.362 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.079 -1.242 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 122 14.285 0.040 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 122 16.091 -0.989 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 122 17.617 -1.135 -0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.249 -0.149 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 122 17.706 -0.662 1.405 1.00 0.00 H new ATOM 1880 N GLN A 123 13.120 1.480 -4.728 1.00 0.00 N ATOM 1881 CA GLN A 123 13.771 0.889 -5.898 1.00 0.00 C ATOM 1882 C GLN A 123 13.512 1.646 -7.201 1.00 0.00 C ATOM 1883 O GLN A 123 14.348 1.614 -8.105 1.00 0.00 O ATOM 1884 CB GLN A 123 13.324 -0.565 -6.059 1.00 0.00 C ATOM 1885 CG GLN A 123 14.447 -1.503 -6.471 1.00 0.00 C ATOM 1886 CD GLN A 123 14.173 -2.199 -7.790 1.00 0.00 C ATOM 1887 OE1 GLN A 123 13.590 -3.282 -7.824 1.00 0.00 O ATOM 1888 NE2 GLN A 123 14.595 -1.578 -8.886 1.00 0.00 N ATOM 0 H GLN A 123 12.223 1.059 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 123 14.843 0.950 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.898 -0.912 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.530 -0.612 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.376 -0.939 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.593 -2.252 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.074 -0.681 -8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 123 14.440 -1.998 -9.802 1.00 0.00 H new ATOM 1897 N GLU A 124 12.360 2.296 -7.327 1.00 0.00 N ATOM 1898 CA GLU A 124 12.047 3.006 -8.567 1.00 0.00 C ATOM 1899 C GLU A 124 12.766 4.342 -8.666 1.00 0.00 C ATOM 1900 O GLU A 124 13.622 4.533 -9.529 1.00 0.00 O ATOM 1901 CB GLU A 124 10.542 3.242 -8.690 1.00 0.00 C ATOM 1902 CG GLU A 124 9.771 2.007 -9.130 1.00 0.00 C ATOM 1903 CD GLU A 124 8.717 1.584 -8.129 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.232 2.451 -7.378 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.377 0.384 -8.098 1.00 0.00 O ATOM 0 H GLU A 124 11.641 2.348 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 124 12.393 2.370 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.155 3.580 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.365 4.046 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.295 2.205 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.469 1.184 -9.284 1.00 0.00 H new ATOM 1912 N SER A 125 12.405 5.269 -7.793 1.00 0.00 N ATOM 1913 CA SER A 125 13.010 6.592 -7.805 1.00 0.00 C ATOM 1914 C SER A 125 14.149 6.701 -6.799 1.00 0.00 C ATOM 1915 O SER A 125 15.208 7.255 -7.095 1.00 0.00 O ATOM 1916 CB SER A 125 11.948 7.647 -7.513 1.00 0.00 C ATOM 1917 OG SER A 125 12.192 8.835 -8.245 1.00 0.00 O ATOM 0 H SER A 125 11.699 5.131 -7.070 1.00 0.00 H new ATOM 0 HA SER A 125 13.430 6.760 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.963 7.256 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.937 7.870 -6.446 1.00 0.00 H new ATOM 0 HG SER A 125 11.496 9.494 -8.041 1.00 0.00 H new