USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 743 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 57 ASN : amide:sc= 1.53 K(o=3.6,f=-1.6!) USER MOD Set 1.2: A 75 TYR OH : rot 130:sc= 0.515 USER MOD Set 1.3: A 81 ASN : amide:sc= 1.52 K(o=3.6,f=-1.6) USER MOD Set 2.1: A 21 THR OG1 : rot -105:sc= 1.15 USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.759 (180deg=0.419) USER MOD Single : A 3 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=-0.06) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.765 K(o=0.76,f=-2.6!) USER MOD Single : A 7 HIS : no HE2:sc= 0.834 K(o=0.83,f=-5!) USER MOD Single : A 8 HIS : no HE2:sc= 0.742 K(o=0.74,f=-2.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.09) USER MOD Single : A 23 SER OG : rot -6:sc= 0.296 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0146) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.336 K(o=0.34,f=-4.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.000895 X(o=-0.0009,f=-0.45) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.18) USER MOD Single : A 78 ASN : amide:sc= 0.127 K(o=0.13,f=-6.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.794 29.750 -5.503 1.00 0.00 N ATOM 2 CA MET A 1 6.845 29.167 -4.633 1.00 0.00 C ATOM 3 C MET A 1 7.051 27.691 -4.988 1.00 0.00 C ATOM 4 O MET A 1 6.092 26.982 -5.310 1.00 0.00 O ATOM 5 CB MET A 1 6.525 29.314 -3.128 1.00 0.00 C ATOM 6 CG MET A 1 6.687 30.742 -2.584 1.00 0.00 C ATOM 7 SD MET A 1 5.463 31.966 -3.139 1.00 0.00 S ATOM 8 CE MET A 1 6.042 33.414 -2.212 1.00 0.00 C ATOM 0 H1 MET A 1 5.370 30.574 -5.031 1.00 0.00 H new ATOM 0 H2 MET A 1 6.216 30.048 -6.406 1.00 0.00 H new ATOM 0 H3 MET A 1 5.058 29.038 -5.683 1.00 0.00 H new ATOM 0 HA MET A 1 7.763 29.726 -4.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.501 28.985 -2.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.176 28.646 -2.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.656 30.698 -1.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.678 31.102 -2.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.401 34.268 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.006 33.200 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.067 33.645 -2.502 1.00 0.00 H new ATOM 20 N GLY A 2 8.298 27.211 -4.923 1.00 0.00 N ATOM 21 CA GLY A 2 8.659 25.840 -5.278 1.00 0.00 C ATOM 22 C GLY A 2 10.049 25.495 -4.754 1.00 0.00 C ATOM 23 O GLY A 2 10.889 24.988 -5.500 1.00 0.00 O ATOM 0 H GLY A 2 9.092 27.773 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.927 25.147 -4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.633 25.721 -6.361 1.00 0.00 H new ATOM 27 N HIS A 3 10.308 25.834 -3.487 1.00 0.00 N ATOM 28 CA HIS A 3 11.610 25.654 -2.842 1.00 0.00 C ATOM 29 C HIS A 3 12.008 24.173 -2.747 1.00 0.00 C ATOM 30 O HIS A 3 13.198 23.853 -2.717 1.00 0.00 O ATOM 31 CB HIS A 3 11.584 26.295 -1.444 1.00 0.00 C ATOM 32 CG HIS A 3 11.131 27.737 -1.436 1.00 0.00 C ATOM 33 ND1 HIS A 3 10.064 28.256 -0.734 1.00 0.00 N ATOM 34 CD2 HIS A 3 11.696 28.774 -2.131 1.00 0.00 C ATOM 35 CE1 HIS A 3 9.992 29.572 -0.997 1.00 0.00 C ATOM 36 NE2 HIS A 3 10.966 29.938 -1.852 1.00 0.00 N ATOM 0 H HIS A 3 9.607 26.248 -2.872 1.00 0.00 H new ATOM 0 HA HIS A 3 12.362 26.147 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.923 25.714 -0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.582 26.236 -1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.555 28.706 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.255 30.243 -0.580 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.138 30.873 -2.222 1.00 0.00 H new ATOM 44 N HIS A 4 11.022 23.272 -2.722 1.00 0.00 N ATOM 45 CA HIS A 4 11.168 21.826 -2.819 1.00 0.00 C ATOM 46 C HIS A 4 9.893 21.271 -3.469 1.00 0.00 C ATOM 47 O HIS A 4 8.925 22.013 -3.678 1.00 0.00 O ATOM 48 CB HIS A 4 11.404 21.216 -1.422 1.00 0.00 C ATOM 49 CG HIS A 4 10.247 21.380 -0.460 1.00 0.00 C ATOM 50 ND1 HIS A 4 10.016 22.456 0.370 1.00 0.00 N ATOM 51 CD2 HIS A 4 9.234 20.482 -0.244 1.00 0.00 C ATOM 52 CE1 HIS A 4 8.888 22.217 1.060 1.00 0.00 C ATOM 53 NE2 HIS A 4 8.370 21.020 0.720 1.00 0.00 N ATOM 0 H HIS A 4 10.046 23.554 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 4 12.033 21.564 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 4 11.618 20.153 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 4 12.291 21.674 -0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.121 19.525 -0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 4 8.457 22.890 1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.521 20.592 1.089 1.00 0.00 H new ATOM 61 N HIS A 5 9.870 19.967 -3.748 1.00 0.00 N ATOM 62 CA HIS A 5 8.687 19.245 -4.198 1.00 0.00 C ATOM 63 C HIS A 5 8.737 17.852 -3.572 1.00 0.00 C ATOM 64 O HIS A 5 9.807 17.240 -3.509 1.00 0.00 O ATOM 65 CB HIS A 5 8.672 19.167 -5.732 1.00 0.00 C ATOM 66 CG HIS A 5 7.478 18.421 -6.277 1.00 0.00 C ATOM 67 ND1 HIS A 5 6.214 18.933 -6.474 1.00 0.00 N ATOM 68 CD2 HIS A 5 7.441 17.102 -6.645 1.00 0.00 C ATOM 69 CE1 HIS A 5 5.436 17.946 -6.950 1.00 0.00 C ATOM 70 NE2 HIS A 5 6.140 16.804 -7.073 1.00 0.00 N ATOM 0 H HIS A 5 10.695 19.373 -3.664 1.00 0.00 H new ATOM 0 HA HIS A 5 7.774 19.756 -3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.679 20.177 -6.141 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.585 18.679 -6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.271 16.411 -6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.391 18.053 -7.199 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.796 15.905 -7.409 1.00 0.00 H new ATOM 78 N HIS A 6 7.586 17.356 -3.122 1.00 0.00 N ATOM 79 CA HIS A 6 7.388 16.034 -2.535 1.00 0.00 C ATOM 80 C HIS A 6 6.042 15.518 -3.053 1.00 0.00 C ATOM 81 O HIS A 6 5.164 16.322 -3.394 1.00 0.00 O ATOM 82 CB HIS A 6 7.333 16.120 -0.994 1.00 0.00 C ATOM 83 CG HIS A 6 8.605 16.500 -0.266 1.00 0.00 C ATOM 84 ND1 HIS A 6 9.873 16.634 -0.788 1.00 0.00 N ATOM 85 CD2 HIS A 6 8.707 16.741 1.080 1.00 0.00 C ATOM 86 CE1 HIS A 6 10.711 16.959 0.210 1.00 0.00 C ATOM 87 NE2 HIS A 6 10.047 17.034 1.377 1.00 0.00 N ATOM 0 H HIS A 6 6.721 17.895 -3.160 1.00 0.00 H new ATOM 0 HA HIS A 6 8.211 15.374 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.564 16.844 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.006 15.152 -0.615 1.00 0.00 H new ATOM 0 HD1 HIS A 6 10.132 16.508 -1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 6 7.894 16.711 1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 6 11.770 17.135 0.092 1.00 0.00 H new ATOM 95 N HIS A 7 5.850 14.195 -3.072 1.00 0.00 N ATOM 96 CA HIS A 7 4.547 13.608 -3.369 1.00 0.00 C ATOM 97 C HIS A 7 3.535 14.145 -2.353 1.00 0.00 C ATOM 98 O HIS A 7 3.758 14.055 -1.143 1.00 0.00 O ATOM 99 CB HIS A 7 4.608 12.075 -3.345 1.00 0.00 C ATOM 100 CG HIS A 7 3.271 11.464 -3.683 1.00 0.00 C ATOM 101 ND1 HIS A 7 2.666 11.465 -4.922 1.00 0.00 N ATOM 102 CD2 HIS A 7 2.382 10.909 -2.800 1.00 0.00 C ATOM 103 CE1 HIS A 7 1.444 10.925 -4.787 1.00 0.00 C ATOM 104 NE2 HIS A 7 1.221 10.567 -3.508 1.00 0.00 N ATOM 0 H HIS A 7 6.584 13.512 -2.884 1.00 0.00 H new ATOM 0 HA HIS A 7 4.237 13.889 -4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 7 5.358 11.728 -4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.924 11.738 -2.358 1.00 0.00 H new ATOM 0 HD1 HIS A 7 3.075 11.814 -5.789 1.00 0.00 H new ATOM 0 HD2 HIS A 7 2.547 10.761 -1.743 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.737 10.796 -5.593 1.00 0.00 H new ATOM 112 N HIS A 8 2.456 14.754 -2.848 1.00 0.00 N ATOM 113 CA HIS A 8 1.508 15.475 -2.013 1.00 0.00 C ATOM 114 C HIS A 8 0.692 14.478 -1.187 1.00 0.00 C ATOM 115 O HIS A 8 0.048 13.582 -1.745 1.00 0.00 O ATOM 116 CB HIS A 8 0.601 16.354 -2.887 1.00 0.00 C ATOM 117 CG HIS A 8 1.292 17.523 -3.560 1.00 0.00 C ATOM 118 ND1 HIS A 8 2.648 17.718 -3.751 1.00 0.00 N ATOM 119 CD2 HIS A 8 0.658 18.617 -4.091 1.00 0.00 C ATOM 120 CE1 HIS A 8 2.818 18.896 -4.374 1.00 0.00 C ATOM 121 NE2 HIS A 8 1.630 19.486 -4.607 1.00 0.00 N ATOM 0 H HIS A 8 2.219 14.758 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 8 2.045 16.129 -1.326 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.147 15.729 -3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.210 16.739 -2.269 1.00 0.00 H new ATOM 0 HD1 HIS A 8 3.390 17.078 -3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.409 18.781 -4.109 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.775 19.313 -4.650 1.00 0.00 H new ATOM 129 N LEU A 9 0.704 14.658 0.138 1.00 0.00 N ATOM 130 CA LEU A 9 -0.172 13.952 1.073 1.00 0.00 C ATOM 131 C LEU A 9 -1.626 14.236 0.679 1.00 0.00 C ATOM 132 O LEU A 9 -1.934 15.350 0.246 1.00 0.00 O ATOM 133 CB LEU A 9 0.155 14.429 2.499 1.00 0.00 C ATOM 134 CG LEU A 9 -0.629 13.726 3.622 1.00 0.00 C ATOM 135 CD1 LEU A 9 -0.374 12.211 3.657 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.213 14.335 4.967 1.00 0.00 C ATOM 0 H LEU A 9 1.337 15.313 0.598 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.021 12.873 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.221 14.286 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.037 15.500 2.559 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.692 13.874 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.950 11.764 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.678 11.769 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.687 12.024 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.761 13.846 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.857 14.191 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.439 15.401 4.969 1.00 0.00 H new ATOM 148 N ASP A 10 -2.516 13.244 0.798 1.00 0.00 N ATOM 149 CA ASP A 10 -3.855 13.372 0.229 1.00 0.00 C ATOM 150 C ASP A 10 -4.697 14.491 0.834 1.00 0.00 C ATOM 151 O ASP A 10 -4.765 14.659 2.053 1.00 0.00 O ATOM 152 CB ASP A 10 -4.663 12.073 0.266 1.00 0.00 C ATOM 153 CG ASP A 10 -5.940 12.305 -0.552 1.00 0.00 C ATOM 154 OD1 ASP A 10 -5.812 12.703 -1.734 1.00 0.00 O ATOM 155 OD2 ASP A 10 -7.051 12.165 -0.001 1.00 0.00 O ATOM 0 H ASP A 10 -2.335 12.361 1.275 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.646 13.632 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.084 11.249 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.909 11.803 1.293 1.00 0.00 H new ATOM 160 N SER A 11 -5.388 15.199 -0.055 1.00 0.00 N ATOM 161 CA SER A 11 -6.170 16.382 0.185 1.00 0.00 C ATOM 162 C SER A 11 -7.620 16.249 -0.296 1.00 0.00 C ATOM 163 O SER A 11 -8.463 17.045 0.126 1.00 0.00 O ATOM 164 CB SER A 11 -5.450 17.483 -0.589 1.00 0.00 C ATOM 165 OG SER A 11 -5.078 17.060 -1.897 1.00 0.00 O ATOM 0 H SER A 11 -5.409 14.928 -1.038 1.00 0.00 H new ATOM 0 HA SER A 11 -6.246 16.585 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.096 18.358 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.559 17.789 -0.040 1.00 0.00 H new ATOM 0 HG SER A 11 -4.622 17.793 -2.360 1.00 0.00 H new ATOM 171 N TYR A 12 -7.920 15.284 -1.179 1.00 0.00 N ATOM 172 CA TYR A 12 -9.266 15.121 -1.740 1.00 0.00 C ATOM 173 C TYR A 12 -9.602 13.731 -2.305 1.00 0.00 C ATOM 174 O TYR A 12 -10.780 13.497 -2.595 1.00 0.00 O ATOM 175 CB TYR A 12 -9.493 16.162 -2.858 1.00 0.00 C ATOM 176 CG TYR A 12 -8.748 15.883 -4.155 1.00 0.00 C ATOM 177 CD1 TYR A 12 -7.436 16.358 -4.334 1.00 0.00 C ATOM 178 CD2 TYR A 12 -9.362 15.134 -5.181 1.00 0.00 C ATOM 179 CE1 TYR A 12 -6.731 16.077 -5.516 1.00 0.00 C ATOM 180 CE2 TYR A 12 -8.664 14.846 -6.368 1.00 0.00 C ATOM 181 CZ TYR A 12 -7.341 15.316 -6.540 1.00 0.00 C ATOM 182 OH TYR A 12 -6.647 15.047 -7.682 1.00 0.00 O ATOM 0 H TYR A 12 -7.243 14.602 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.930 15.264 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.560 16.215 -3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.193 17.142 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.967 16.943 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.374 14.780 -5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.723 16.442 -5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.138 14.267 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.205 14.513 -8.286 1.00 0.00 H new ATOM 192 N ALA A 13 -8.639 12.830 -2.533 1.00 0.00 N ATOM 193 CA ALA A 13 -8.906 11.595 -3.269 1.00 0.00 C ATOM 194 C ALA A 13 -9.909 10.702 -2.519 1.00 0.00 C ATOM 195 O ALA A 13 -9.837 10.618 -1.288 1.00 0.00 O ATOM 196 CB ALA A 13 -7.603 10.829 -3.508 1.00 0.00 C ATOM 0 H ALA A 13 -7.674 12.935 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.345 11.867 -4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.816 9.912 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.918 11.448 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.146 10.581 -2.550 1.00 0.00 H new ATOM 202 N PRO A 14 -10.801 9.985 -3.227 1.00 0.00 N ATOM 203 CA PRO A 14 -11.774 9.091 -2.608 1.00 0.00 C ATOM 204 C PRO A 14 -11.109 7.838 -2.013 1.00 0.00 C ATOM 205 O PRO A 14 -9.948 7.540 -2.299 1.00 0.00 O ATOM 206 CB PRO A 14 -12.761 8.739 -3.729 1.00 0.00 C ATOM 207 CG PRO A 14 -11.908 8.827 -4.992 1.00 0.00 C ATOM 208 CD PRO A 14 -10.950 9.974 -4.676 1.00 0.00 C ATOM 0 HA PRO A 14 -12.275 9.565 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.181 7.742 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.599 9.436 -3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.374 7.896 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.513 9.037 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.988 9.825 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.347 10.924 -5.035 1.00 0.00 H new ATOM 216 N ARG A 15 -11.905 7.088 -1.238 1.00 0.00 N ATOM 217 CA ARG A 15 -11.588 5.829 -0.553 1.00 0.00 C ATOM 218 C ARG A 15 -10.393 5.910 0.400 1.00 0.00 C ATOM 219 O ARG A 15 -9.239 6.016 -0.017 1.00 0.00 O ATOM 220 CB ARG A 15 -11.445 4.661 -1.544 1.00 0.00 C ATOM 221 CG ARG A 15 -12.775 4.316 -2.240 1.00 0.00 C ATOM 222 CD ARG A 15 -12.800 2.882 -2.786 1.00 0.00 C ATOM 223 NE ARG A 15 -12.729 1.903 -1.683 1.00 0.00 N ATOM 224 CZ ARG A 15 -13.548 0.879 -1.425 1.00 0.00 C ATOM 225 NH1 ARG A 15 -14.538 0.555 -2.250 1.00 0.00 N ATOM 226 NH2 ARG A 15 -13.342 0.188 -0.311 1.00 0.00 N ATOM 0 H ARG A 15 -12.868 7.372 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.449 5.631 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.699 4.916 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -11.076 3.782 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.595 4.446 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.945 5.016 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.711 2.723 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.962 2.732 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.953 2.024 -1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.687 1.093 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.149 -0.231 -2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.579 0.445 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.947 -0.600 -0.081 1.00 0.00 H new ATOM 240 N ALA A 16 -10.681 5.785 1.701 1.00 0.00 N ATOM 241 CA ALA A 16 -9.663 5.623 2.735 1.00 0.00 C ATOM 242 C ALA A 16 -8.858 4.333 2.534 1.00 0.00 C ATOM 243 O ALA A 16 -7.661 4.302 2.820 1.00 0.00 O ATOM 244 CB ALA A 16 -10.324 5.621 4.116 1.00 0.00 C ATOM 0 H ALA A 16 -11.634 5.794 2.064 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.970 6.462 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.561 5.500 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.848 6.564 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.035 4.797 4.178 1.00 0.00 H new ATOM 250 N GLU A 17 -9.507 3.278 2.039 1.00 0.00 N ATOM 251 CA GLU A 17 -8.888 2.001 1.709 1.00 0.00 C ATOM 252 C GLU A 17 -9.735 1.295 0.647 1.00 0.00 C ATOM 253 O GLU A 17 -10.928 1.584 0.500 1.00 0.00 O ATOM 254 CB GLU A 17 -8.705 1.132 2.970 1.00 0.00 C ATOM 255 CG GLU A 17 -10.006 0.831 3.728 1.00 0.00 C ATOM 256 CD GLU A 17 -9.751 -0.069 4.948 1.00 0.00 C ATOM 257 OE1 GLU A 17 -9.812 -1.311 4.798 1.00 0.00 O ATOM 258 OE2 GLU A 17 -9.528 0.455 6.064 1.00 0.00 O ATOM 0 H GLU A 17 -10.510 3.293 1.852 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.891 2.173 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.240 0.189 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.013 1.635 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.464 1.765 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.715 0.345 3.058 1.00 0.00 H new ATOM 265 N ALA A 18 -9.125 0.368 -0.088 1.00 0.00 N ATOM 266 CA ALA A 18 -9.735 -0.426 -1.144 1.00 0.00 C ATOM 267 C ALA A 18 -9.003 -1.769 -1.243 1.00 0.00 C ATOM 268 O ALA A 18 -7.940 -1.954 -0.646 1.00 0.00 O ATOM 269 CB ALA A 18 -9.643 0.334 -2.475 1.00 0.00 C ATOM 0 H ALA A 18 -8.140 0.141 0.047 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.786 -0.607 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.100 -0.261 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.167 1.286 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.596 0.517 -2.718 1.00 0.00 H new ATOM 275 N GLU A 19 -9.559 -2.698 -2.018 1.00 0.00 N ATOM 276 CA GLU A 19 -9.006 -4.027 -2.239 1.00 0.00 C ATOM 277 C GLU A 19 -9.258 -4.397 -3.700 1.00 0.00 C ATOM 278 O GLU A 19 -10.346 -4.125 -4.220 1.00 0.00 O ATOM 279 CB GLU A 19 -9.679 -5.016 -1.275 1.00 0.00 C ATOM 280 CG GLU A 19 -8.968 -6.374 -1.233 1.00 0.00 C ATOM 281 CD GLU A 19 -9.604 -7.305 -0.187 1.00 0.00 C ATOM 282 OE1 GLU A 19 -9.534 -6.993 1.023 1.00 0.00 O ATOM 283 OE2 GLU A 19 -10.175 -8.353 -0.568 1.00 0.00 O ATOM 0 H GLU A 19 -10.431 -2.540 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.934 -4.056 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.695 -4.587 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.716 -5.162 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.015 -6.842 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.913 -6.228 -1.000 1.00 0.00 H new ATOM 290 N LYS A 20 -8.262 -4.983 -4.371 1.00 0.00 N ATOM 291 CA LYS A 20 -8.320 -5.307 -5.796 1.00 0.00 C ATOM 292 C LYS A 20 -7.327 -6.436 -6.094 1.00 0.00 C ATOM 293 O LYS A 20 -6.459 -6.727 -5.267 1.00 0.00 O ATOM 294 CB LYS A 20 -8.029 -4.017 -6.595 1.00 0.00 C ATOM 295 CG LYS A 20 -8.341 -4.123 -8.096 1.00 0.00 C ATOM 296 CD LYS A 20 -8.384 -2.737 -8.754 1.00 0.00 C ATOM 297 CE LYS A 20 -8.717 -2.877 -10.244 1.00 0.00 C ATOM 298 NZ LYS A 20 -8.799 -1.559 -10.915 1.00 0.00 N ATOM 0 H LYS A 20 -7.381 -5.249 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.305 -5.667 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.613 -3.200 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.978 -3.755 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.585 -4.737 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.298 -4.625 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.131 -2.114 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.423 -2.237 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.956 -3.486 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.666 -3.402 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.975 -1.697 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.576 -1.006 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.903 -1.047 -10.786 1.00 0.00 H new ATOM 312 N THR A 21 -7.441 -7.055 -7.266 1.00 0.00 N ATOM 313 CA THR A 21 -6.583 -8.147 -7.707 1.00 0.00 C ATOM 314 C THR A 21 -5.992 -7.783 -9.068 1.00 0.00 C ATOM 315 O THR A 21 -6.645 -7.146 -9.899 1.00 0.00 O ATOM 316 CB THR A 21 -7.381 -9.464 -7.699 1.00 0.00 C ATOM 317 OG1 THR A 21 -7.831 -9.726 -6.380 1.00 0.00 O ATOM 318 CG2 THR A 21 -6.572 -10.683 -8.147 1.00 0.00 C ATOM 0 H THR A 21 -8.152 -6.803 -7.952 1.00 0.00 H new ATOM 0 HA THR A 21 -5.744 -8.301 -7.028 1.00 0.00 H new ATOM 0 HB THR A 21 -8.198 -9.323 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.288 -10.440 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.203 -11.571 -8.114 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.216 -10.529 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.720 -10.819 -7.481 1.00 0.00 H new ATOM 326 N PHE A 22 -4.733 -8.169 -9.260 1.00 0.00 N ATOM 327 CA PHE A 22 -3.875 -7.827 -10.381 1.00 0.00 C ATOM 328 C PHE A 22 -3.042 -9.067 -10.717 1.00 0.00 C ATOM 329 O PHE A 22 -3.163 -10.117 -10.074 1.00 0.00 O ATOM 330 CB PHE A 22 -2.942 -6.664 -9.986 1.00 0.00 C ATOM 331 CG PHE A 22 -3.582 -5.493 -9.260 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.641 -5.486 -7.850 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.085 -4.394 -9.984 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.188 -4.385 -7.171 1.00 0.00 C ATOM 335 CE2 PHE A 22 -4.627 -3.291 -9.301 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.669 -3.280 -7.896 1.00 0.00 C ATOM 0 H PHE A 22 -4.257 -8.770 -8.588 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.469 -7.517 -11.241 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.149 -7.064 -9.354 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.468 -6.285 -10.892 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.264 -6.330 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.054 -4.399 -11.064 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.239 -4.387 -6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.012 -2.450 -9.858 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.070 -2.424 -7.374 1.00 0.00 H new ATOM 346 N SER A 23 -2.160 -8.973 -11.707 1.00 0.00 N ATOM 347 CA SER A 23 -1.165 -9.997 -11.981 1.00 0.00 C ATOM 348 C SER A 23 0.048 -9.339 -12.621 1.00 0.00 C ATOM 349 O SER A 23 -0.053 -8.263 -13.218 1.00 0.00 O ATOM 350 CB SER A 23 -1.731 -11.075 -12.914 1.00 0.00 C ATOM 351 OG SER A 23 -2.908 -11.661 -12.383 1.00 0.00 O ATOM 0 H SER A 23 -2.118 -8.178 -12.344 1.00 0.00 H new ATOM 0 HA SER A 23 -0.880 -10.480 -11.046 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.950 -10.636 -13.887 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.980 -11.848 -13.075 1.00 0.00 H new ATOM 0 HG SER A 23 -3.062 -11.322 -11.477 1.00 0.00 H new ATOM 357 N TYR A 24 1.196 -9.997 -12.511 1.00 0.00 N ATOM 358 CA TYR A 24 2.382 -9.608 -13.254 1.00 0.00 C ATOM 359 C TYR A 24 2.189 -10.109 -14.700 1.00 0.00 C ATOM 360 O TYR A 24 1.441 -11.067 -14.915 1.00 0.00 O ATOM 361 CB TYR A 24 3.618 -10.245 -12.598 1.00 0.00 C ATOM 362 CG TYR A 24 4.197 -9.539 -11.379 1.00 0.00 C ATOM 363 CD1 TYR A 24 3.377 -9.082 -10.324 1.00 0.00 C ATOM 364 CD2 TYR A 24 5.594 -9.366 -11.288 1.00 0.00 C ATOM 365 CE1 TYR A 24 3.931 -8.413 -9.219 1.00 0.00 C ATOM 366 CE2 TYR A 24 6.157 -8.690 -10.192 1.00 0.00 C ATOM 367 CZ TYR A 24 5.328 -8.198 -9.159 1.00 0.00 C ATOM 368 OH TYR A 24 5.891 -7.508 -8.126 1.00 0.00 O ATOM 0 H TYR A 24 1.328 -10.809 -11.908 1.00 0.00 H new ATOM 0 HA TYR A 24 2.530 -8.528 -13.255 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.360 -11.264 -12.308 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.402 -10.317 -13.352 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.311 -9.249 -10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.235 -9.755 -12.065 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.293 -8.065 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.226 -8.546 -10.139 1.00 0.00 H new ATOM 0 HH TYR A 24 6.861 -7.461 -8.254 1.00 0.00 H new ATOM 378 N PRO A 25 2.832 -9.498 -15.711 1.00 0.00 N ATOM 379 CA PRO A 25 3.568 -8.239 -15.647 1.00 0.00 C ATOM 380 C PRO A 25 2.629 -7.017 -15.745 1.00 0.00 C ATOM 381 O PRO A 25 3.117 -5.886 -15.757 1.00 0.00 O ATOM 382 CB PRO A 25 4.511 -8.304 -16.855 1.00 0.00 C ATOM 383 CG PRO A 25 3.665 -9.025 -17.904 1.00 0.00 C ATOM 384 CD PRO A 25 2.868 -10.028 -17.070 1.00 0.00 C ATOM 0 HA PRO A 25 4.094 -8.119 -14.700 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.810 -7.310 -17.189 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.425 -8.852 -16.626 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.012 -8.336 -18.440 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.284 -9.522 -18.650 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.860 -10.148 -17.467 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.338 -11.011 -17.091 1.00 0.00 H new ATOM 392 N LEU A 26 1.304 -7.228 -15.854 1.00 0.00 N ATOM 393 CA LEU A 26 0.312 -6.181 -16.107 1.00 0.00 C ATOM 394 C LEU A 26 0.408 -5.057 -15.074 1.00 0.00 C ATOM 395 O LEU A 26 0.300 -3.886 -15.442 1.00 0.00 O ATOM 396 CB LEU A 26 -1.099 -6.796 -16.149 1.00 0.00 C ATOM 397 CG LEU A 26 -2.231 -5.784 -16.432 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.083 -5.101 -17.798 1.00 0.00 C ATOM 399 CD2 LEU A 26 -3.580 -6.508 -16.380 1.00 0.00 C ATOM 0 H LEU A 26 0.890 -8.156 -15.766 1.00 0.00 H new ATOM 0 HA LEU A 26 0.520 -5.732 -17.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.121 -7.570 -16.916 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.297 -7.286 -15.195 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.173 -5.009 -15.668 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.905 -4.400 -17.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.136 -4.563 -17.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.103 -5.854 -18.586 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.382 -5.797 -16.579 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.599 -7.297 -17.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.720 -6.946 -15.392 1.00 0.00 H new ATOM 411 N ASP A 27 0.653 -5.390 -13.804 1.00 0.00 N ATOM 412 CA ASP A 27 0.987 -4.410 -12.775 1.00 0.00 C ATOM 413 C ASP A 27 2.002 -5.003 -11.802 1.00 0.00 C ATOM 414 O ASP A 27 1.947 -6.185 -11.465 1.00 0.00 O ATOM 415 CB ASP A 27 -0.250 -3.918 -12.012 1.00 0.00 C ATOM 416 CG ASP A 27 0.158 -2.914 -10.916 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.033 -2.058 -11.179 1.00 0.00 O ATOM 418 OD2 ASP A 27 -0.382 -2.998 -9.791 1.00 0.00 O ATOM 0 H ASP A 27 0.624 -6.351 -13.463 1.00 0.00 H new ATOM 0 HA ASP A 27 1.420 -3.545 -13.278 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.948 -3.447 -12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.769 -4.765 -11.563 1.00 0.00 H new ATOM 423 N LEU A 28 2.924 -4.145 -11.372 1.00 0.00 N ATOM 424 CA LEU A 28 3.975 -4.364 -10.383 1.00 0.00 C ATOM 425 C LEU A 28 4.478 -3.012 -9.839 1.00 0.00 C ATOM 426 O LEU A 28 5.547 -2.948 -9.234 1.00 0.00 O ATOM 427 CB LEU A 28 5.129 -5.199 -10.988 1.00 0.00 C ATOM 428 CG LEU A 28 6.081 -4.512 -11.995 1.00 0.00 C ATOM 429 CD1 LEU A 28 7.134 -5.531 -12.447 1.00 0.00 C ATOM 430 CD2 LEU A 28 5.384 -3.948 -13.242 1.00 0.00 C ATOM 0 H LEU A 28 2.957 -3.194 -11.740 1.00 0.00 H new ATOM 0 HA LEU A 28 3.565 -4.932 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.734 -5.577 -10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.689 -6.064 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 28 6.520 -3.662 -11.473 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.813 -5.061 -13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.698 -5.879 -11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.640 -6.378 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.124 -3.484 -13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.885 -4.756 -13.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.648 -3.203 -12.941 1.00 0.00 H new ATOM 442 N LEU A 29 3.746 -1.917 -10.090 1.00 0.00 N ATOM 443 CA LEU A 29 4.181 -0.546 -9.840 1.00 0.00 C ATOM 444 C LEU A 29 3.965 -0.171 -8.373 1.00 0.00 C ATOM 445 O LEU A 29 3.113 0.658 -8.046 1.00 0.00 O ATOM 446 CB LEU A 29 3.482 0.426 -10.815 1.00 0.00 C ATOM 447 CG LEU A 29 3.717 0.117 -12.310 1.00 0.00 C ATOM 448 CD1 LEU A 29 2.963 1.123 -13.183 1.00 0.00 C ATOM 449 CD2 LEU A 29 5.203 0.138 -12.694 1.00 0.00 C ATOM 0 H LEU A 29 2.807 -1.969 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 29 5.252 -0.469 -10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.410 0.409 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.828 1.439 -10.608 1.00 0.00 H new ATOM 0 HG LEU A 29 3.342 -0.892 -12.481 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.137 0.894 -14.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.896 1.062 -12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.319 2.130 -12.967 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.308 -0.086 -13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.618 1.125 -12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.740 -0.610 -12.111 1.00 0.00 H new ATOM 461 N LEU A 30 4.749 -0.775 -7.479 1.00 0.00 N ATOM 462 CA LEU A 30 4.807 -0.454 -6.057 1.00 0.00 C ATOM 463 C LEU A 30 6.275 -0.375 -5.630 1.00 0.00 C ATOM 464 O LEU A 30 7.131 -0.991 -6.271 1.00 0.00 O ATOM 465 CB LEU A 30 4.053 -1.488 -5.198 1.00 0.00 C ATOM 466 CG LEU A 30 2.545 -1.622 -5.504 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.257 -2.834 -6.399 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.731 -1.748 -4.212 1.00 0.00 C ATOM 0 H LEU A 30 5.384 -1.530 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 30 4.315 0.506 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.523 -2.462 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.172 -1.221 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 30 2.248 -0.716 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.186 -2.897 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.791 -2.725 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.589 -3.743 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.673 -1.841 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.055 -2.632 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.885 -0.861 -3.597 1.00 0.00 H new ATOM 480 N LYS A 31 6.577 0.367 -4.554 1.00 0.00 N ATOM 481 CA LYS A 31 7.940 0.505 -4.024 1.00 0.00 C ATOM 482 C LYS A 31 7.932 0.449 -2.502 1.00 0.00 C ATOM 483 O LYS A 31 6.942 0.836 -1.884 1.00 0.00 O ATOM 484 CB LYS A 31 8.629 1.780 -4.564 1.00 0.00 C ATOM 485 CG LYS A 31 8.366 3.110 -3.827 1.00 0.00 C ATOM 486 CD LYS A 31 6.904 3.586 -3.849 1.00 0.00 C ATOM 487 CE LYS A 31 6.699 4.928 -3.122 1.00 0.00 C ATOM 488 NZ LYS A 31 7.395 6.067 -3.779 1.00 0.00 N ATOM 0 H LYS A 31 5.879 0.890 -4.025 1.00 0.00 H new ATOM 0 HA LYS A 31 8.533 -0.339 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.705 1.604 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.327 1.908 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.682 3.002 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.991 3.884 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.575 3.685 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.273 2.827 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.632 5.145 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.057 4.836 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.162 6.950 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.423 5.911 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.087 6.137 -4.770 1.00 0.00 H new ATOM 502 N LEU A 32 9.019 -0.027 -1.898 1.00 0.00 N ATOM 503 CA LEU A 32 9.176 -0.080 -0.445 1.00 0.00 C ATOM 504 C LEU A 32 9.556 1.330 0.008 1.00 0.00 C ATOM 505 O LEU A 32 10.517 1.899 -0.516 1.00 0.00 O ATOM 506 CB LEU A 32 10.241 -1.133 -0.077 1.00 0.00 C ATOM 507 CG LEU A 32 10.068 -1.805 1.298 1.00 0.00 C ATOM 508 CD1 LEU A 32 10.932 -3.077 1.325 1.00 0.00 C ATOM 509 CD2 LEU A 32 10.471 -0.892 2.462 1.00 0.00 C ATOM 0 H LEU A 32 9.824 -0.391 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 32 8.259 -0.384 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.239 -1.909 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.221 -0.658 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 32 9.011 -2.036 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.824 -3.570 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.608 -3.754 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.977 -2.810 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.328 -1.420 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.519 -0.612 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.853 0.006 2.451 1.00 0.00 H new ATOM 521 N HIS A 33 8.800 1.909 0.938 1.00 0.00 N ATOM 522 CA HIS A 33 9.001 3.261 1.444 1.00 0.00 C ATOM 523 C HIS A 33 8.399 3.343 2.845 1.00 0.00 C ATOM 524 O HIS A 33 7.345 2.758 3.088 1.00 0.00 O ATOM 525 CB HIS A 33 8.309 4.260 0.501 1.00 0.00 C ATOM 526 CG HIS A 33 8.465 5.700 0.923 1.00 0.00 C ATOM 527 ND1 HIS A 33 9.551 6.512 0.675 1.00 0.00 N ATOM 528 CD2 HIS A 33 7.562 6.444 1.637 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.305 7.715 1.223 1.00 0.00 C ATOM 530 NE2 HIS A 33 8.099 7.725 1.823 1.00 0.00 N ATOM 0 H HIS A 33 8.008 1.435 1.372 1.00 0.00 H new ATOM 0 HA HIS A 33 10.063 3.504 1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.715 4.139 -0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.247 4.019 0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.602 6.102 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.981 8.557 1.187 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.665 8.507 2.313 1.00 0.00 H new ATOM 538 N ASP A 34 9.043 4.090 3.747 1.00 0.00 N ATOM 539 CA ASP A 34 8.620 4.302 5.140 1.00 0.00 C ATOM 540 C ASP A 34 8.250 2.988 5.853 1.00 0.00 C ATOM 541 O ASP A 34 7.250 2.895 6.565 1.00 0.00 O ATOM 542 CB ASP A 34 7.525 5.381 5.207 1.00 0.00 C ATOM 543 CG ASP A 34 7.190 5.792 6.654 1.00 0.00 C ATOM 544 OD1 ASP A 34 8.119 6.014 7.465 1.00 0.00 O ATOM 545 OD2 ASP A 34 5.992 5.971 6.974 1.00 0.00 O ATOM 0 H ASP A 34 9.907 4.584 3.521 1.00 0.00 H new ATOM 0 HA ASP A 34 9.472 4.682 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.850 6.259 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.623 5.010 4.720 1.00 0.00 H new ATOM 550 N GLU A 35 9.064 1.948 5.620 1.00 0.00 N ATOM 551 CA GLU A 35 8.894 0.581 6.127 1.00 0.00 C ATOM 552 C GLU A 35 7.511 -0.021 5.809 1.00 0.00 C ATOM 553 O GLU A 35 7.032 -0.915 6.504 1.00 0.00 O ATOM 554 CB GLU A 35 9.252 0.506 7.629 1.00 0.00 C ATOM 555 CG GLU A 35 10.673 0.972 7.992 1.00 0.00 C ATOM 556 CD GLU A 35 11.754 -0.020 7.534 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.980 -0.152 6.311 1.00 0.00 O ATOM 558 OE2 GLU A 35 12.391 -0.669 8.394 1.00 0.00 O ATOM 0 H GLU A 35 9.900 2.044 5.044 1.00 0.00 H new ATOM 0 HA GLU A 35 9.600 -0.051 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.536 1.110 8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.129 -0.524 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.860 1.944 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.743 1.107 9.071 1.00 0.00 H new ATOM 565 N ARG A 36 6.879 0.441 4.733 1.00 0.00 N ATOM 566 CA ARG A 36 5.676 -0.088 4.105 1.00 0.00 C ATOM 567 C ARG A 36 6.026 -0.312 2.634 1.00 0.00 C ATOM 568 O ARG A 36 7.166 -0.106 2.211 1.00 0.00 O ATOM 569 CB ARG A 36 4.529 0.940 4.278 1.00 0.00 C ATOM 570 CG ARG A 36 3.802 0.837 5.627 1.00 0.00 C ATOM 571 CD ARG A 36 2.783 -0.311 5.612 1.00 0.00 C ATOM 572 NE ARG A 36 2.210 -0.553 6.948 1.00 0.00 N ATOM 573 CZ ARG A 36 1.495 -1.634 7.287 1.00 0.00 C ATOM 574 NH1 ARG A 36 0.997 -2.442 6.359 1.00 0.00 N ATOM 575 NH2 ARG A 36 1.306 -1.932 8.568 1.00 0.00 N ATOM 0 H ARG A 36 7.226 1.263 4.239 1.00 0.00 H new ATOM 0 HA ARG A 36 5.341 -1.024 4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.936 1.946 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.806 0.802 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.527 0.675 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.294 1.777 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.982 -0.077 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.265 -1.220 5.253 1.00 0.00 H new ATOM 0 HE ARG A 36 2.369 0.153 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.157 -2.244 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.455 -3.261 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.705 -1.337 9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.761 -2.755 8.825 1.00 0.00 H new ATOM 589 N VAL A 37 5.051 -0.721 1.834 1.00 0.00 N ATOM 590 CA VAL A 37 5.168 -0.764 0.388 1.00 0.00 C ATOM 591 C VAL A 37 3.982 0.054 -0.103 1.00 0.00 C ATOM 592 O VAL A 37 2.876 -0.077 0.430 1.00 0.00 O ATOM 593 CB VAL A 37 5.291 -2.221 -0.103 1.00 0.00 C ATOM 594 CG1 VAL A 37 4.119 -3.116 0.317 1.00 0.00 C ATOM 595 CG2 VAL A 37 5.446 -2.314 -1.624 1.00 0.00 C ATOM 0 H VAL A 37 4.144 -1.036 2.179 1.00 0.00 H new ATOM 0 HA VAL A 37 6.076 -0.325 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 37 6.195 -2.586 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.276 -4.125 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.055 -3.146 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.191 -2.715 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.529 -3.360 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.576 -1.869 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.344 -1.779 -1.932 1.00 0.00 H new ATOM 605 N LEU A 38 4.230 0.969 -1.038 1.00 0.00 N ATOM 606 CA LEU A 38 3.283 1.986 -1.473 1.00 0.00 C ATOM 607 C LEU A 38 3.039 1.820 -2.964 1.00 0.00 C ATOM 608 O LEU A 38 3.956 1.465 -3.705 1.00 0.00 O ATOM 609 CB LEU A 38 3.841 3.400 -1.207 1.00 0.00 C ATOM 610 CG LEU A 38 3.497 4.016 0.163 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.042 3.206 1.344 1.00 0.00 C ATOM 612 CD2 LEU A 38 4.071 5.436 0.220 1.00 0.00 C ATOM 0 H LEU A 38 5.124 1.022 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 38 2.353 1.867 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.926 3.365 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.472 4.067 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 38 2.411 4.018 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.765 3.694 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.621 2.201 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.128 3.146 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.835 5.885 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.153 5.397 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.634 6.037 -0.577 1.00 0.00 H new ATOM 624 N VAL A 39 1.818 2.130 -3.396 1.00 0.00 N ATOM 625 CA VAL A 39 1.428 2.226 -4.796 1.00 0.00 C ATOM 626 C VAL A 39 2.298 3.315 -5.440 1.00 0.00 C ATOM 627 O VAL A 39 2.161 4.490 -5.092 1.00 0.00 O ATOM 628 CB VAL A 39 -0.091 2.517 -4.873 1.00 0.00 C ATOM 629 CG1 VAL A 39 -0.576 2.703 -6.317 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.913 1.379 -4.242 1.00 0.00 C ATOM 0 H VAL A 39 1.048 2.328 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 39 1.591 1.299 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.241 3.444 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.647 2.905 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.049 3.541 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.377 1.796 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.975 1.615 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.712 0.448 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.635 1.267 -3.194 1.00 0.00 H new ATOM 640 N ALA A 40 3.211 2.931 -6.340 1.00 0.00 N ATOM 641 CA ALA A 40 4.152 3.847 -6.982 1.00 0.00 C ATOM 642 C ALA A 40 3.491 4.601 -8.138 1.00 0.00 C ATOM 643 O ALA A 40 3.854 5.744 -8.416 1.00 0.00 O ATOM 644 CB ALA A 40 5.374 3.075 -7.497 1.00 0.00 C ATOM 0 H ALA A 40 3.316 1.963 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 40 4.471 4.575 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.068 3.768 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.871 2.581 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.053 2.327 -8.222 1.00 0.00 H new ATOM 650 N PHE A 41 2.515 3.972 -8.797 1.00 0.00 N ATOM 651 CA PHE A 41 1.630 4.585 -9.778 1.00 0.00 C ATOM 652 C PHE A 41 0.343 3.754 -9.822 1.00 0.00 C ATOM 653 O PHE A 41 0.354 2.581 -9.449 1.00 0.00 O ATOM 654 CB PHE A 41 2.297 4.641 -11.162 1.00 0.00 C ATOM 655 CG PHE A 41 1.431 5.293 -12.227 1.00 0.00 C ATOM 656 CD1 PHE A 41 1.126 6.667 -12.146 1.00 0.00 C ATOM 657 CD2 PHE A 41 0.882 4.521 -13.270 1.00 0.00 C ATOM 658 CE1 PHE A 41 0.277 7.261 -13.097 1.00 0.00 C ATOM 659 CE2 PHE A 41 0.043 5.118 -14.227 1.00 0.00 C ATOM 660 CZ PHE A 41 -0.264 6.488 -14.140 1.00 0.00 C ATOM 0 H PHE A 41 2.315 2.982 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 41 1.406 5.613 -9.495 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.235 5.190 -11.082 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.546 3.628 -11.478 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.546 7.265 -11.351 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.107 3.467 -13.334 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.040 8.312 -13.026 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.367 4.524 -15.030 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.913 6.945 -14.872 1.00 0.00 H new ATOM 670 N GLY A 42 -0.760 4.351 -10.282 1.00 0.00 N ATOM 671 CA GLY A 42 -2.048 3.671 -10.353 1.00 0.00 C ATOM 672 C GLY A 42 -3.184 4.503 -10.943 1.00 0.00 C ATOM 673 O GLY A 42 -4.297 3.990 -11.041 1.00 0.00 O ATOM 0 H GLY A 42 -0.781 5.315 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.932 2.766 -10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.332 3.356 -9.349 1.00 0.00 H new ATOM 677 N GLN A 43 -2.949 5.755 -11.363 1.00 0.00 N ATOM 678 CA GLN A 43 -4.024 6.615 -11.870 1.00 0.00 C ATOM 679 C GLN A 43 -4.663 6.022 -13.134 1.00 0.00 C ATOM 680 O GLN A 43 -5.876 6.132 -13.321 1.00 0.00 O ATOM 681 CB GLN A 43 -3.506 8.033 -12.163 1.00 0.00 C ATOM 682 CG GLN A 43 -2.958 8.742 -10.915 1.00 0.00 C ATOM 683 CD GLN A 43 -2.581 10.199 -11.205 1.00 0.00 C ATOM 684 OE1 GLN A 43 -3.419 11.015 -11.586 1.00 0.00 O ATOM 685 NE2 GLN A 43 -1.321 10.570 -11.034 1.00 0.00 N ATOM 0 H GLN A 43 -2.027 6.192 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.785 6.674 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.721 7.978 -12.917 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.314 8.629 -12.587 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.706 8.711 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.082 8.206 -10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.628 9.892 -10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.044 11.534 -11.218 1.00 0.00 H new ATOM 694 N ARG A 44 -3.860 5.370 -13.988 1.00 0.00 N ATOM 695 CA ARG A 44 -4.350 4.708 -15.197 1.00 0.00 C ATOM 696 C ARG A 44 -5.264 3.537 -14.834 1.00 0.00 C ATOM 697 O ARG A 44 -6.289 3.338 -15.486 1.00 0.00 O ATOM 698 CB ARG A 44 -3.149 4.253 -16.043 1.00 0.00 C ATOM 699 CG ARG A 44 -3.551 3.707 -17.425 1.00 0.00 C ATOM 700 CD ARG A 44 -2.327 3.258 -18.236 1.00 0.00 C ATOM 701 NE ARG A 44 -1.431 4.382 -18.568 1.00 0.00 N ATOM 702 CZ ARG A 44 -0.124 4.290 -18.851 1.00 0.00 C ATOM 703 NH1 ARG A 44 0.486 3.107 -18.874 1.00 0.00 N ATOM 704 NH2 ARG A 44 0.571 5.393 -19.114 1.00 0.00 N ATOM 0 H ARG A 44 -2.852 5.289 -13.856 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.944 5.406 -15.786 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.468 5.093 -16.176 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.602 3.482 -15.500 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.233 2.866 -17.300 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.091 4.476 -17.977 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.773 2.510 -17.669 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.660 2.778 -19.156 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.844 5.315 -18.584 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.042 2.257 -18.675 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.481 3.050 -19.091 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.109 6.302 -19.100 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.566 5.330 -19.330 1.00 0.00 H new ATOM 718 N ASP A 45 -4.903 2.767 -13.802 1.00 0.00 N ATOM 719 CA ASP A 45 -5.707 1.637 -13.337 1.00 0.00 C ATOM 720 C ASP A 45 -6.996 2.122 -12.668 1.00 0.00 C ATOM 721 O ASP A 45 -8.058 1.536 -12.886 1.00 0.00 O ATOM 722 CB ASP A 45 -4.906 0.774 -12.357 1.00 0.00 C ATOM 723 CG ASP A 45 -5.779 -0.382 -11.854 1.00 0.00 C ATOM 724 OD1 ASP A 45 -5.918 -1.394 -12.576 1.00 0.00 O ATOM 725 OD2 ASP A 45 -6.359 -0.268 -10.754 1.00 0.00 O ATOM 0 H ASP A 45 -4.046 2.911 -13.268 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.971 1.035 -14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.014 0.383 -12.847 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.568 1.380 -11.516 1.00 0.00 H new ATOM 730 N GLY A 46 -6.909 3.212 -11.899 1.00 0.00 N ATOM 731 CA GLY A 46 -8.044 3.893 -11.285 1.00 0.00 C ATOM 732 C GLY A 46 -7.899 4.058 -9.770 1.00 0.00 C ATOM 733 O GLY A 46 -8.922 4.135 -9.086 1.00 0.00 O ATOM 0 H GLY A 46 -6.016 3.656 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.161 4.876 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.954 3.333 -11.498 1.00 0.00 H new ATOM 737 N ILE A 47 -6.673 4.082 -9.228 1.00 0.00 N ATOM 738 CA ILE A 47 -6.417 4.144 -7.786 1.00 0.00 C ATOM 739 C ILE A 47 -5.409 5.259 -7.484 1.00 0.00 C ATOM 740 O ILE A 47 -4.580 5.603 -8.332 1.00 0.00 O ATOM 741 CB ILE A 47 -5.965 2.764 -7.241 1.00 0.00 C ATOM 742 CG1 ILE A 47 -4.613 2.297 -7.833 1.00 0.00 C ATOM 743 CG2 ILE A 47 -7.072 1.716 -7.470 1.00 0.00 C ATOM 744 CD1 ILE A 47 -4.076 0.999 -7.217 1.00 0.00 C ATOM 0 H ILE A 47 -5.821 4.058 -9.789 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.343 4.389 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.800 2.875 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.728 2.156 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.875 3.086 -7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.745 0.751 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.979 2.026 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.276 1.630 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.127 0.740 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.926 1.139 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.793 0.195 -7.381 1.00 0.00 H new ATOM 756 N ARG A 48 -5.482 5.844 -6.281 1.00 0.00 N ATOM 757 CA ARG A 48 -4.573 6.921 -5.896 1.00 0.00 C ATOM 758 C ARG A 48 -3.161 6.365 -5.729 1.00 0.00 C ATOM 759 O ARG A 48 -2.973 5.270 -5.191 1.00 0.00 O ATOM 760 CB ARG A 48 -5.023 7.595 -4.583 1.00 0.00 C ATOM 761 CG ARG A 48 -4.451 9.018 -4.448 1.00 0.00 C ATOM 762 CD ARG A 48 -4.357 9.470 -2.987 1.00 0.00 C ATOM 763 NE ARG A 48 -3.925 10.877 -2.894 1.00 0.00 N ATOM 764 CZ ARG A 48 -2.658 11.318 -2.869 1.00 0.00 C ATOM 765 NH1 ARG A 48 -1.635 10.474 -2.919 1.00 0.00 N ATOM 766 NH2 ARG A 48 -2.415 12.620 -2.791 1.00 0.00 N ATOM 0 H ARG A 48 -6.160 5.588 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.586 7.673 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.112 7.636 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.700 6.991 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.461 9.054 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.081 9.714 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.326 9.351 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.653 8.834 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.660 11.583 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.805 9.470 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.679 10.829 -2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.190 13.282 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.453 12.959 -2.772 1.00 0.00 H new ATOM 780 N VAL A 49 -2.172 7.143 -6.156 1.00 0.00 N ATOM 781 CA VAL A 49 -0.766 6.881 -5.875 1.00 0.00 C ATOM 782 C VAL A 49 -0.561 7.101 -4.366 1.00 0.00 C ATOM 783 O VAL A 49 -1.333 7.825 -3.727 1.00 0.00 O ATOM 784 CB VAL A 49 0.098 7.831 -6.739 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.597 7.532 -6.621 1.00 0.00 C ATOM 786 CG2 VAL A 49 -0.299 7.739 -8.224 1.00 0.00 C ATOM 0 H VAL A 49 -2.327 7.983 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.469 5.862 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.089 8.835 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.157 8.227 -7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.910 7.645 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.791 6.511 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.323 8.416 -8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.155 6.718 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.346 8.018 -8.339 1.00 0.00 H new ATOM 796 N GLY A 50 0.460 6.482 -3.773 1.00 0.00 N ATOM 797 CA GLY A 50 0.875 6.793 -2.410 1.00 0.00 C ATOM 798 C GLY A 50 0.088 6.049 -1.332 1.00 0.00 C ATOM 799 O GLY A 50 0.453 6.152 -0.160 1.00 0.00 O ATOM 0 H GLY A 50 1.018 5.756 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.933 6.556 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.770 7.865 -2.246 1.00 0.00 H new ATOM 803 N HIS A 51 -0.966 5.299 -1.684 1.00 0.00 N ATOM 804 CA HIS A 51 -1.610 4.400 -0.732 1.00 0.00 C ATOM 805 C HIS A 51 -0.574 3.351 -0.317 1.00 0.00 C ATOM 806 O HIS A 51 0.134 2.814 -1.172 1.00 0.00 O ATOM 807 CB HIS A 51 -2.847 3.725 -1.345 1.00 0.00 C ATOM 808 CG HIS A 51 -4.094 4.579 -1.429 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.081 4.470 -2.384 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.544 5.484 -0.501 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.097 5.276 -2.034 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.813 5.926 -0.891 1.00 0.00 N ATOM 0 H HIS A 51 -1.384 5.301 -2.615 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.957 4.964 0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.592 3.388 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.079 2.835 -0.760 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.046 3.879 -3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.009 5.802 0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.015 5.387 -2.593 1.00 0.00 H new ATOM 820 N ALA A 52 -0.488 3.064 0.979 1.00 0.00 N ATOM 821 CA ALA A 52 0.318 1.988 1.520 1.00 0.00 C ATOM 822 C ALA A 52 -0.495 0.697 1.462 1.00 0.00 C ATOM 823 O ALA A 52 -1.718 0.715 1.613 1.00 0.00 O ATOM 824 CB ALA A 52 0.695 2.317 2.967 1.00 0.00 C ATOM 0 H ALA A 52 -0.991 3.589 1.694 1.00 0.00 H new ATOM 0 HA ALA A 52 1.233 1.867 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.301 1.510 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.263 3.247 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.211 2.429 3.563 1.00 0.00 H new ATOM 830 N VAL A 53 0.178 -0.432 1.272 1.00 0.00 N ATOM 831 CA VAL A 53 -0.443 -1.742 1.353 1.00 0.00 C ATOM 832 C VAL A 53 -0.708 -2.060 2.827 1.00 0.00 C ATOM 833 O VAL A 53 0.145 -1.852 3.697 1.00 0.00 O ATOM 834 CB VAL A 53 0.455 -2.781 0.663 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.093 -4.205 0.787 1.00 0.00 C ATOM 836 CG2 VAL A 53 0.592 -2.449 -0.835 1.00 0.00 C ATOM 0 H VAL A 53 1.175 -0.461 1.057 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.400 -1.763 0.831 1.00 0.00 H new ATOM 0 HB VAL A 53 1.422 -2.737 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.579 -4.899 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.170 -4.475 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.080 -4.257 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.230 -3.191 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.393 -2.461 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.036 -1.460 -0.949 1.00 0.00 H new ATOM 846 N LEU A 54 -1.900 -2.596 3.079 1.00 0.00 N ATOM 847 CA LEU A 54 -2.363 -3.094 4.366 1.00 0.00 C ATOM 848 C LEU A 54 -2.305 -4.622 4.357 1.00 0.00 C ATOM 849 O LEU A 54 -1.928 -5.205 5.372 1.00 0.00 O ATOM 850 CB LEU A 54 -3.812 -2.626 4.623 1.00 0.00 C ATOM 851 CG LEU A 54 -3.953 -1.240 5.290 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.245 -0.106 4.539 1.00 0.00 C ATOM 853 CD2 LEU A 54 -5.441 -0.893 5.410 1.00 0.00 C ATOM 0 H LEU A 54 -2.605 -2.699 2.349 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.724 -2.706 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.344 -2.608 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.308 -3.365 5.252 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.470 -1.319 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.393 0.832 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.179 -0.322 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.659 -0.021 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.550 0.084 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.891 -0.870 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.942 -1.646 6.018 1.00 0.00 H new ATOM 865 N ALA A 55 -2.617 -5.283 3.231 1.00 0.00 N ATOM 866 CA ALA A 55 -2.566 -6.741 3.128 1.00 0.00 C ATOM 867 C ALA A 55 -2.263 -7.180 1.697 1.00 0.00 C ATOM 868 O ALA A 55 -2.530 -6.440 0.750 1.00 0.00 O ATOM 869 CB ALA A 55 -3.906 -7.342 3.584 1.00 0.00 C ATOM 0 H ALA A 55 -2.910 -4.819 2.371 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.765 -7.102 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.863 -8.428 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.098 -7.060 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.709 -6.964 2.951 1.00 0.00 H new ATOM 875 N ILE A 56 -1.779 -8.413 1.537 1.00 0.00 N ATOM 876 CA ILE A 56 -1.558 -9.072 0.251 1.00 0.00 C ATOM 877 C ILE A 56 -2.099 -10.495 0.416 1.00 0.00 C ATOM 878 O ILE A 56 -1.884 -11.115 1.456 1.00 0.00 O ATOM 879 CB ILE A 56 -0.059 -9.097 -0.141 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.595 -7.699 -0.115 1.00 0.00 C ATOM 881 CG2 ILE A 56 0.087 -9.703 -1.553 1.00 0.00 C ATOM 882 CD1 ILE A 56 2.118 -7.729 -0.283 1.00 0.00 C ATOM 0 H ILE A 56 -1.521 -9.001 2.330 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.063 -8.532 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 56 0.458 -9.706 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.163 -7.090 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.352 -7.211 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.140 -9.723 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.308 -10.719 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.468 -9.096 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.507 -6.711 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.562 -8.310 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.370 -8.187 -1.240 1.00 0.00 H new ATOM 894 N ASN A 57 -2.778 -11.022 -0.606 1.00 0.00 N ATOM 895 CA ASN A 57 -3.369 -12.364 -0.667 1.00 0.00 C ATOM 896 C ASN A 57 -4.181 -12.706 0.594 1.00 0.00 C ATOM 897 O ASN A 57 -4.209 -13.855 1.043 1.00 0.00 O ATOM 898 CB ASN A 57 -2.297 -13.414 -1.018 1.00 0.00 C ATOM 899 CG ASN A 57 -1.712 -13.267 -2.421 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.293 -12.651 -3.314 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.540 -13.837 -2.634 1.00 0.00 N ATOM 0 H ASN A 57 -2.940 -10.494 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.098 -12.378 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.488 -13.348 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.733 -14.408 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.100 -13.771 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.075 -14.343 -1.881 1.00 0.00 H new ATOM 908 N GLY A 58 -4.832 -11.697 1.180 1.00 0.00 N ATOM 909 CA GLY A 58 -5.686 -11.852 2.356 1.00 0.00 C ATOM 910 C GLY A 58 -4.904 -11.970 3.669 1.00 0.00 C ATOM 911 O GLY A 58 -5.494 -12.344 4.685 1.00 0.00 O ATOM 0 H GLY A 58 -4.778 -10.736 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.361 -10.999 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.306 -12.740 2.231 1.00 0.00 H new ATOM 915 N MET A 59 -3.607 -11.647 3.674 1.00 0.00 N ATOM 916 CA MET A 59 -2.741 -11.667 4.846 1.00 0.00 C ATOM 917 C MET A 59 -2.238 -10.245 5.069 1.00 0.00 C ATOM 918 O MET A 59 -1.630 -9.647 4.178 1.00 0.00 O ATOM 919 CB MET A 59 -1.563 -12.633 4.633 1.00 0.00 C ATOM 920 CG MET A 59 -1.994 -14.099 4.507 1.00 0.00 C ATOM 921 SD MET A 59 -2.756 -14.801 5.999 1.00 0.00 S ATOM 922 CE MET A 59 -3.116 -16.472 5.391 1.00 0.00 C ATOM 0 H MET A 59 -3.118 -11.354 2.828 1.00 0.00 H new ATOM 0 HA MET A 59 -3.291 -12.016 5.720 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.022 -12.342 3.732 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.868 -12.537 5.467 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.700 -14.186 3.681 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.122 -14.698 4.245 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.591 -17.052 6.182 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.786 -16.411 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.187 -16.958 5.092 1.00 0.00 H new ATOM 932 N ASP A 60 -2.521 -9.697 6.252 1.00 0.00 N ATOM 933 CA ASP A 60 -2.004 -8.409 6.716 1.00 0.00 C ATOM 934 C ASP A 60 -0.484 -8.365 6.551 1.00 0.00 C ATOM 935 O ASP A 60 0.192 -9.360 6.832 1.00 0.00 O ATOM 936 CB ASP A 60 -2.393 -8.223 8.188 1.00 0.00 C ATOM 937 CG ASP A 60 -1.746 -6.975 8.811 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.339 -5.878 8.717 1.00 0.00 O ATOM 939 OD2 ASP A 60 -0.678 -7.101 9.447 1.00 0.00 O ATOM 0 H ASP A 60 -3.132 -10.149 6.932 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.432 -7.600 6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.477 -8.145 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.094 -9.105 8.754 1.00 0.00 H new ATOM 944 N VAL A 61 0.059 -7.227 6.108 1.00 0.00 N ATOM 945 CA VAL A 61 1.502 -7.038 6.036 1.00 0.00 C ATOM 946 C VAL A 61 1.928 -6.177 7.225 1.00 0.00 C ATOM 947 O VAL A 61 1.432 -5.063 7.424 1.00 0.00 O ATOM 948 CB VAL A 61 1.980 -6.545 4.650 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.535 -7.518 3.547 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.543 -5.131 4.253 1.00 0.00 C ATOM 0 H VAL A 61 -0.485 -6.423 5.794 1.00 0.00 H new ATOM 0 HA VAL A 61 2.015 -7.996 6.124 1.00 0.00 H new ATOM 0 HB VAL A 61 3.065 -6.509 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.881 -7.154 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.961 -8.503 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.447 -7.588 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.935 -4.893 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.454 -5.079 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.928 -4.414 4.978 1.00 0.00 H new ATOM 960 N ASN A 62 2.835 -6.729 8.031 1.00 0.00 N ATOM 961 CA ASN A 62 3.545 -6.046 9.094 1.00 0.00 C ATOM 962 C ASN A 62 4.571 -5.128 8.434 1.00 0.00 C ATOM 963 O ASN A 62 5.717 -5.523 8.202 1.00 0.00 O ATOM 964 CB ASN A 62 4.220 -7.068 10.024 1.00 0.00 C ATOM 965 CG ASN A 62 5.107 -6.391 11.070 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.859 -5.264 11.493 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.152 -7.065 11.520 1.00 0.00 N ATOM 0 H ASN A 62 3.102 -7.710 7.951 1.00 0.00 H new ATOM 0 HA ASN A 62 2.863 -5.459 9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.456 -7.662 10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.821 -7.757 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.761 -6.650 12.225 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.349 -8.000 11.162 1.00 0.00 H new ATOM 974 N GLY A 63 4.136 -3.925 8.062 1.00 0.00 N ATOM 975 CA GLY A 63 4.971 -2.941 7.395 1.00 0.00 C ATOM 976 C GLY A 63 5.430 -3.457 6.036 1.00 0.00 C ATOM 977 O GLY A 63 4.665 -3.444 5.070 1.00 0.00 O ATOM 0 H GLY A 63 3.180 -3.607 8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.416 -2.012 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.838 -2.712 8.015 1.00 0.00 H new ATOM 981 N ARG A 64 6.674 -3.934 5.973 1.00 0.00 N ATOM 982 CA ARG A 64 7.335 -4.404 4.758 1.00 0.00 C ATOM 983 C ARG A 64 7.460 -5.929 4.730 1.00 0.00 C ATOM 984 O ARG A 64 8.122 -6.455 3.835 1.00 0.00 O ATOM 985 CB ARG A 64 8.697 -3.693 4.606 1.00 0.00 C ATOM 986 CG ARG A 64 9.702 -4.055 5.715 1.00 0.00 C ATOM 987 CD ARG A 64 11.004 -3.244 5.674 1.00 0.00 C ATOM 988 NE ARG A 64 11.954 -3.723 4.654 1.00 0.00 N ATOM 989 CZ ARG A 64 13.047 -3.076 4.232 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.344 -1.846 4.643 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.848 -3.694 3.377 1.00 0.00 N ATOM 0 H ARG A 64 7.269 -4.006 6.798 1.00 0.00 H new ATOM 0 HA ARG A 64 6.719 -4.146 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.127 -3.950 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.538 -2.615 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.225 -3.907 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.945 -5.115 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.767 -2.198 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.481 -3.285 6.653 1.00 0.00 H new ATOM 0 HE ARG A 64 11.761 -4.631 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.730 -1.366 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.186 -1.383 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.624 -4.637 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.689 -3.227 3.037 1.00 0.00 H new ATOM 1005 N TYR A 65 6.835 -6.653 5.662 1.00 0.00 N ATOM 1006 CA TYR A 65 6.884 -8.112 5.704 1.00 0.00 C ATOM 1007 C TYR A 65 5.462 -8.659 5.778 1.00 0.00 C ATOM 1008 O TYR A 65 4.581 -7.995 6.324 1.00 0.00 O ATOM 1009 CB TYR A 65 7.724 -8.573 6.905 1.00 0.00 C ATOM 1010 CG TYR A 65 9.106 -7.944 6.986 1.00 0.00 C ATOM 1011 CD1 TYR A 65 10.091 -8.282 6.040 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.393 -6.983 7.977 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.344 -7.643 6.054 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.659 -6.371 8.026 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.639 -6.695 7.061 1.00 0.00 C ATOM 1016 OH TYR A 65 12.851 -6.072 7.099 1.00 0.00 O ATOM 0 H TYR A 65 6.279 -6.239 6.411 1.00 0.00 H new ATOM 0 HA TYR A 65 7.357 -8.496 4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.180 -8.345 7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.834 -9.657 6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.883 -9.038 5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.638 -6.716 8.701 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.079 -7.876 5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.882 -5.653 8.802 1.00 0.00 H new ATOM 0 HH TYR A 65 12.877 -5.452 7.858 1.00 0.00 H new ATOM 1026 N THR A 66 5.205 -9.850 5.240 1.00 0.00 N ATOM 1027 CA THR A 66 3.911 -10.501 5.383 1.00 0.00 C ATOM 1028 C THR A 66 3.698 -10.957 6.830 1.00 0.00 C ATOM 1029 O THR A 66 4.600 -10.884 7.672 1.00 0.00 O ATOM 1030 CB THR A 66 3.787 -11.683 4.404 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.797 -12.644 4.643 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.870 -11.231 2.947 1.00 0.00 C ATOM 0 H THR A 66 5.884 -10.384 4.698 1.00 0.00 H new ATOM 0 HA THR A 66 3.131 -9.781 5.138 1.00 0.00 H new ATOM 0 HB THR A 66 2.806 -12.127 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.698 -13.387 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.778 -12.097 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.062 -10.530 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.829 -10.743 2.771 1.00 0.00 H new ATOM 1040 N ALA A 67 2.503 -11.484 7.101 1.00 0.00 N ATOM 1041 CA ALA A 67 2.192 -12.168 8.348 1.00 0.00 C ATOM 1042 C ALA A 67 3.164 -13.333 8.585 1.00 0.00 C ATOM 1043 O ALA A 67 3.587 -13.574 9.716 1.00 0.00 O ATOM 1044 CB ALA A 67 0.757 -12.693 8.265 1.00 0.00 C ATOM 0 H ALA A 67 1.718 -11.445 6.451 1.00 0.00 H new ATOM 0 HA ALA A 67 2.292 -11.472 9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.504 -13.209 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.072 -11.858 8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.671 -13.386 7.428 1.00 0.00 H new ATOM 1050 N ASP A 68 3.517 -14.048 7.511 1.00 0.00 N ATOM 1051 CA ASP A 68 4.482 -15.147 7.547 1.00 0.00 C ATOM 1052 C ASP A 68 5.912 -14.629 7.749 1.00 0.00 C ATOM 1053 O ASP A 68 6.671 -15.220 8.519 1.00 0.00 O ATOM 1054 CB ASP A 68 4.408 -15.957 6.250 1.00 0.00 C ATOM 1055 CG ASP A 68 5.474 -17.063 6.239 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.259 -18.122 6.872 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.518 -16.878 5.577 1.00 0.00 O ATOM 0 H ASP A 68 3.134 -13.876 6.581 1.00 0.00 H new ATOM 0 HA ASP A 68 4.226 -15.786 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.417 -16.399 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.553 -15.297 5.395 1.00 0.00 H new ATOM 1062 N GLY A 69 6.263 -13.513 7.099 1.00 0.00 N ATOM 1063 CA GLY A 69 7.542 -12.824 7.267 1.00 0.00 C ATOM 1064 C GLY A 69 8.286 -12.564 5.952 1.00 0.00 C ATOM 1065 O GLY A 69 9.377 -11.992 5.983 1.00 0.00 O ATOM 0 H GLY A 69 5.648 -13.055 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.367 -11.872 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.180 -13.417 7.922 1.00 0.00 H new ATOM 1069 N LYS A 70 7.738 -12.982 4.804 1.00 0.00 N ATOM 1070 CA LYS A 70 8.302 -12.715 3.480 1.00 0.00 C ATOM 1071 C LYS A 70 8.395 -11.201 3.303 1.00 0.00 C ATOM 1072 O LYS A 70 7.434 -10.508 3.633 1.00 0.00 O ATOM 1073 CB LYS A 70 7.376 -13.301 2.397 1.00 0.00 C ATOM 1074 CG LYS A 70 7.094 -14.808 2.526 1.00 0.00 C ATOM 1075 CD LYS A 70 8.245 -15.657 1.978 1.00 0.00 C ATOM 1076 CE LYS A 70 8.002 -17.152 2.223 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.308 -17.574 3.611 1.00 0.00 N ATOM 0 H LYS A 70 6.875 -13.525 4.772 1.00 0.00 H new ATOM 0 HA LYS A 70 9.288 -13.171 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.427 -12.766 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.821 -13.113 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.927 -15.057 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.177 -15.052 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.357 -15.475 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.179 -15.356 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.961 -17.385 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.613 -17.731 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.189 -18.604 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.289 -17.319 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.661 -17.096 4.270 1.00 0.00 H new ATOM 1091 N GLU A 71 9.502 -10.672 2.779 1.00 0.00 N ATOM 1092 CA GLU A 71 9.545 -9.265 2.400 1.00 0.00 C ATOM 1093 C GLU A 71 8.571 -9.078 1.242 1.00 0.00 C ATOM 1094 O GLU A 71 8.586 -9.846 0.282 1.00 0.00 O ATOM 1095 CB GLU A 71 10.974 -8.820 2.067 1.00 0.00 C ATOM 1096 CG GLU A 71 11.010 -7.327 1.706 1.00 0.00 C ATOM 1097 CD GLU A 71 12.402 -6.718 1.928 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.282 -6.851 1.050 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.605 -6.081 2.987 1.00 0.00 O ATOM 0 H GLU A 71 10.365 -11.189 2.611 1.00 0.00 H new ATOM 0 HA GLU A 71 9.240 -8.626 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.626 -9.008 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.359 -9.409 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.720 -7.198 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.278 -6.790 2.309 1.00 0.00 H new ATOM 1106 N VAL A 72 7.713 -8.070 1.340 1.00 0.00 N ATOM 1107 CA VAL A 72 6.582 -7.873 0.444 1.00 0.00 C ATOM 1108 C VAL A 72 6.991 -7.744 -1.027 1.00 0.00 C ATOM 1109 O VAL A 72 6.311 -8.304 -1.887 1.00 0.00 O ATOM 1110 CB VAL A 72 5.744 -6.679 0.938 1.00 0.00 C ATOM 1111 CG1 VAL A 72 5.046 -7.030 2.261 1.00 0.00 C ATOM 1112 CG2 VAL A 72 6.560 -5.380 1.080 1.00 0.00 C ATOM 0 H VAL A 72 7.786 -7.352 2.060 1.00 0.00 H new ATOM 0 HA VAL A 72 5.963 -8.770 0.474 1.00 0.00 H new ATOM 0 HB VAL A 72 4.994 -6.485 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.457 -6.177 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.390 -7.887 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.795 -7.275 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.910 -4.579 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.367 -5.534 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.981 -5.107 0.112 1.00 0.00 H new ATOM 1122 N LEU A 73 8.104 -7.068 -1.342 1.00 0.00 N ATOM 1123 CA LEU A 73 8.531 -6.944 -2.735 1.00 0.00 C ATOM 1124 C LEU A 73 9.005 -8.291 -3.276 1.00 0.00 C ATOM 1125 O LEU A 73 8.709 -8.620 -4.422 1.00 0.00 O ATOM 1126 CB LEU A 73 9.641 -5.893 -2.918 1.00 0.00 C ATOM 1127 CG LEU A 73 9.198 -4.421 -2.806 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.400 -3.526 -3.133 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.046 -4.054 -3.752 1.00 0.00 C ATOM 0 H LEU A 73 8.712 -6.608 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 73 7.661 -6.609 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.415 -6.077 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.098 -6.042 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 73 8.836 -4.272 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.105 -2.479 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.206 -3.727 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.744 -3.735 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.787 -3.004 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.354 -4.224 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.178 -4.673 -3.526 1.00 0.00 H new ATOM 1141 N GLU A 74 9.707 -9.086 -2.464 1.00 0.00 N ATOM 1142 CA GLU A 74 10.142 -10.421 -2.863 1.00 0.00 C ATOM 1143 C GLU A 74 8.915 -11.326 -3.028 1.00 0.00 C ATOM 1144 O GLU A 74 8.817 -12.063 -4.006 1.00 0.00 O ATOM 1145 CB GLU A 74 11.133 -10.970 -1.823 1.00 0.00 C ATOM 1146 CG GLU A 74 11.729 -12.320 -2.243 1.00 0.00 C ATOM 1147 CD GLU A 74 12.794 -12.801 -1.242 1.00 0.00 C ATOM 1148 OE1 GLU A 74 12.445 -13.486 -0.254 1.00 0.00 O ATOM 1149 OE2 GLU A 74 13.997 -12.520 -1.445 1.00 0.00 O ATOM 0 H GLU A 74 9.987 -8.822 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 74 10.659 -10.384 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.938 -10.250 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.626 -11.082 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.935 -13.063 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.174 -12.230 -3.234 1.00 0.00 H new ATOM 1156 N TYR A 75 7.952 -11.225 -2.109 1.00 0.00 N ATOM 1157 CA TYR A 75 6.725 -12.004 -2.123 1.00 0.00 C ATOM 1158 C TYR A 75 5.914 -11.741 -3.392 1.00 0.00 C ATOM 1159 O TYR A 75 5.452 -12.685 -4.032 1.00 0.00 O ATOM 1160 CB TYR A 75 5.906 -11.660 -0.874 1.00 0.00 C ATOM 1161 CG TYR A 75 4.641 -12.475 -0.733 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.724 -13.834 -0.385 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.385 -11.882 -0.962 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.558 -14.606 -0.249 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.214 -12.646 -0.824 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.293 -14.013 -0.472 1.00 0.00 C ATOM 1167 OH TYR A 75 1.146 -14.745 -0.369 1.00 0.00 O ATOM 0 H TYR A 75 8.011 -10.583 -1.319 1.00 0.00 H new ATOM 0 HA TYR A 75 6.976 -13.065 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.526 -11.812 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.645 -10.602 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.690 -14.288 -0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.322 -10.841 -1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.627 -15.648 0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.250 -12.187 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 75 0.508 -14.274 0.207 1.00 0.00 H new ATOM 1177 N LEU A 76 5.747 -10.469 -3.771 1.00 0.00 N ATOM 1178 CA LEU A 76 5.011 -10.088 -4.973 1.00 0.00 C ATOM 1179 C LEU A 76 5.813 -10.474 -6.221 1.00 0.00 C ATOM 1180 O LEU A 76 5.233 -10.925 -7.208 1.00 0.00 O ATOM 1181 CB LEU A 76 4.748 -8.571 -4.969 1.00 0.00 C ATOM 1182 CG LEU A 76 3.714 -8.098 -3.926 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.790 -6.574 -3.775 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.286 -8.494 -4.314 1.00 0.00 C ATOM 0 H LEU A 76 6.121 -9.676 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 76 4.057 -10.615 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.690 -8.053 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.406 -8.273 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 76 3.956 -8.586 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.058 -6.244 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.790 -6.290 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.576 -6.102 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.591 -8.141 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.032 -8.044 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.218 -9.579 -4.393 1.00 0.00 H new ATOM 1196 N GLY A 77 7.139 -10.313 -6.173 1.00 0.00 N ATOM 1197 CA GLY A 77 8.026 -10.560 -7.302 1.00 0.00 C ATOM 1198 C GLY A 77 8.181 -12.048 -7.624 1.00 0.00 C ATOM 1199 O GLY A 77 8.432 -12.393 -8.779 1.00 0.00 O ATOM 0 H GLY A 77 7.629 -10.003 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.641 -10.042 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.007 -10.136 -7.086 1.00 0.00 H new ATOM 1203 N ASN A 78 8.034 -12.923 -6.622 1.00 0.00 N ATOM 1204 CA ASN A 78 8.142 -14.375 -6.747 1.00 0.00 C ATOM 1205 C ASN A 78 7.205 -14.877 -7.856 1.00 0.00 C ATOM 1206 O ASN A 78 5.989 -14.723 -7.715 1.00 0.00 O ATOM 1207 CB ASN A 78 7.790 -15.027 -5.397 1.00 0.00 C ATOM 1208 CG ASN A 78 7.786 -16.554 -5.423 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.097 -17.195 -6.422 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.420 -17.177 -4.316 1.00 0.00 N ATOM 0 H ASN A 78 7.829 -12.625 -5.668 1.00 0.00 H new ATOM 0 HA ASN A 78 9.163 -14.647 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.504 -14.689 -4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.807 -14.677 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.395 -18.196 -4.289 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.163 -16.638 -3.489 1.00 0.00 H new ATOM 1217 N PRO A 79 7.707 -15.499 -8.941 1.00 0.00 N ATOM 1218 CA PRO A 79 6.863 -15.908 -10.056 1.00 0.00 C ATOM 1219 C PRO A 79 5.896 -17.049 -9.706 1.00 0.00 C ATOM 1220 O PRO A 79 4.929 -17.259 -10.440 1.00 0.00 O ATOM 1221 CB PRO A 79 7.819 -16.243 -11.201 1.00 0.00 C ATOM 1222 CG PRO A 79 9.096 -16.669 -10.479 1.00 0.00 C ATOM 1223 CD PRO A 79 9.105 -15.776 -9.239 1.00 0.00 C ATOM 0 HA PRO A 79 6.185 -15.105 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.428 -17.042 -11.831 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.990 -15.382 -11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.076 -17.726 -10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.980 -16.511 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.592 -16.275 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.656 -14.854 -9.425 1.00 0.00 H new ATOM 1231 N ALA A 80 6.087 -17.751 -8.579 1.00 0.00 N ATOM 1232 CA ALA A 80 5.103 -18.701 -8.059 1.00 0.00 C ATOM 1233 C ALA A 80 3.821 -17.997 -7.572 1.00 0.00 C ATOM 1234 O ALA A 80 2.817 -18.662 -7.315 1.00 0.00 O ATOM 1235 CB ALA A 80 5.721 -19.504 -6.909 1.00 0.00 C ATOM 0 H ALA A 80 6.928 -17.674 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 80 4.823 -19.368 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.987 -20.211 -6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.593 -20.048 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.024 -18.824 -6.112 1.00 0.00 H new ATOM 1241 N ASN A 81 3.852 -16.669 -7.432 1.00 0.00 N ATOM 1242 CA ASN A 81 2.809 -15.823 -6.863 1.00 0.00 C ATOM 1243 C ASN A 81 2.511 -14.682 -7.849 1.00 0.00 C ATOM 1244 O ASN A 81 2.422 -13.516 -7.475 1.00 0.00 O ATOM 1245 CB ASN A 81 3.302 -15.330 -5.492 1.00 0.00 C ATOM 1246 CG ASN A 81 2.273 -14.486 -4.752 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.074 -14.749 -4.780 1.00 0.00 O ATOM 1248 ND2 ASN A 81 2.736 -13.482 -4.031 1.00 0.00 N ATOM 0 H ASN A 81 4.660 -16.125 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 81 1.873 -16.360 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.566 -16.190 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.211 -14.745 -5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.094 -12.908 -3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.736 -13.280 -4.021 1.00 0.00 H new ATOM 1255 N TYR A 82 2.462 -15.014 -9.145 1.00 0.00 N ATOM 1256 CA TYR A 82 2.248 -14.063 -10.234 1.00 0.00 C ATOM 1257 C TYR A 82 0.901 -13.322 -10.143 1.00 0.00 C ATOM 1258 O TYR A 82 0.911 -12.099 -10.311 1.00 0.00 O ATOM 1259 CB TYR A 82 2.430 -14.785 -11.586 1.00 0.00 C ATOM 1260 CG TYR A 82 3.288 -14.070 -12.613 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.589 -13.646 -12.280 1.00 0.00 C ATOM 1262 CD2 TYR A 82 2.811 -13.880 -13.923 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.414 -13.043 -13.247 1.00 0.00 C ATOM 1264 CE2 TYR A 82 3.626 -13.271 -14.894 1.00 0.00 C ATOM 1265 CZ TYR A 82 4.936 -12.853 -14.563 1.00 0.00 C ATOM 1266 OH TYR A 82 5.737 -12.256 -15.489 1.00 0.00 O ATOM 0 H TYR A 82 2.573 -15.975 -9.469 1.00 0.00 H new ATOM 0 HA TYR A 82 2.999 -13.278 -10.146 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.867 -15.765 -11.396 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.445 -14.955 -12.020 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.956 -13.785 -11.274 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.814 -14.203 -14.184 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.412 -12.726 -12.984 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.250 -13.122 -15.896 1.00 0.00 H new ATOM 0 HH TYR A 82 5.263 -12.200 -16.345 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.254 -13.982 -9.903 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.489 -13.270 -9.595 1.00 0.00 C ATOM 1278 C PRO A 83 -1.427 -12.805 -8.136 1.00 0.00 C ATOM 1279 O PRO A 83 -0.987 -13.560 -7.264 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.617 -14.276 -9.835 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.962 -15.624 -9.538 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.506 -15.421 -9.958 1.00 0.00 C ATOM 0 HA PRO A 83 -1.647 -12.384 -10.210 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.467 -14.090 -9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.988 -14.227 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.042 -15.884 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.432 -16.430 -10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.168 -15.959 -9.291 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.335 -15.807 -10.963 1.00 0.00 H new ATOM 1290 N VAL A 84 -1.880 -11.582 -7.852 1.00 0.00 N ATOM 1291 CA VAL A 84 -1.734 -10.967 -6.536 1.00 0.00 C ATOM 1292 C VAL A 84 -3.018 -10.201 -6.207 1.00 0.00 C ATOM 1293 O VAL A 84 -3.491 -9.403 -7.016 1.00 0.00 O ATOM 1294 CB VAL A 84 -0.460 -10.076 -6.498 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.825 -10.915 -6.592 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -0.376 -9.006 -7.605 1.00 0.00 C ATOM 0 H VAL A 84 -2.359 -10.991 -8.531 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.595 -11.726 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.545 -9.568 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.693 -10.256 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.868 -11.610 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.826 -11.475 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.547 -8.438 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.387 -9.491 -8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.229 -8.332 -7.525 1.00 0.00 H new ATOM 1306 N SER A 85 -3.570 -10.420 -5.015 1.00 0.00 N ATOM 1307 CA SER A 85 -4.665 -9.622 -4.467 1.00 0.00 C ATOM 1308 C SER A 85 -4.058 -8.725 -3.399 1.00 0.00 C ATOM 1309 O SER A 85 -3.183 -9.178 -2.661 1.00 0.00 O ATOM 1310 CB SER A 85 -5.749 -10.534 -3.881 1.00 0.00 C ATOM 1311 OG SER A 85 -6.283 -11.397 -4.867 1.00 0.00 O ATOM 0 H SER A 85 -3.264 -11.169 -4.393 1.00 0.00 H new ATOM 0 HA SER A 85 -5.145 -9.022 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.329 -11.124 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.548 -9.926 -3.455 1.00 0.00 H new ATOM 0 HG SER A 85 -6.971 -11.968 -4.465 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.465 -7.460 -3.317 1.00 0.00 N ATOM 1318 CA ILE A 86 -3.833 -6.476 -2.446 1.00 0.00 C ATOM 1319 C ILE A 86 -4.945 -5.615 -1.843 1.00 0.00 C ATOM 1320 O ILE A 86 -5.884 -5.228 -2.545 1.00 0.00 O ATOM 1321 CB ILE A 86 -2.783 -5.643 -3.234 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -1.820 -6.545 -4.053 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -1.972 -4.754 -2.274 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -0.627 -5.842 -4.707 1.00 0.00 C ATOM 0 H ILE A 86 -5.247 -7.089 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.282 -6.958 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.332 -5.015 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.439 -7.326 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.396 -7.040 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.241 -4.178 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.645 -4.074 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.454 -5.381 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.027 -6.572 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.988 -5.081 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.015 -5.371 -3.937 1.00 0.00 H new ATOM 1336 N ARG A 87 -4.817 -5.289 -0.554 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.650 -4.311 0.141 1.00 0.00 C ATOM 1338 C ARG A 87 -4.722 -3.180 0.538 1.00 0.00 C ATOM 1339 O ARG A 87 -3.637 -3.446 1.064 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.327 -4.941 1.370 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.415 -4.019 1.937 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.118 -4.637 3.147 1.00 0.00 C ATOM 1343 NE ARG A 87 -9.289 -3.831 3.530 1.00 0.00 N ATOM 1344 CZ ARG A 87 -10.561 -4.035 3.176 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.934 -5.060 2.412 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -11.461 -3.165 3.611 1.00 0.00 N ATOM 0 H ARG A 87 -4.111 -5.711 0.049 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.457 -3.949 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.766 -5.900 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.580 -5.141 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.969 -3.067 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.150 -3.806 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.430 -5.655 2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.424 -4.701 3.985 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.109 -3.028 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.238 -5.725 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.916 -5.180 2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.171 -2.378 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.444 -3.282 3.365 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.123 -1.941 0.293 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.279 -0.762 0.414 1.00 0.00 C ATOM 1362 C PHE A 88 -5.142 0.428 0.830 1.00 0.00 C ATOM 1363 O PHE A 88 -6.361 0.399 0.670 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.563 -0.511 -0.929 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.466 -0.546 -2.153 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -5.148 0.612 -2.575 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.655 -1.756 -2.853 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -6.017 0.556 -3.680 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -5.538 -1.816 -3.945 1.00 0.00 C ATOM 1370 CZ PHE A 88 -6.222 -0.661 -4.357 1.00 0.00 C ATOM 0 H PHE A 88 -6.074 -1.722 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.516 -0.909 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.072 0.461 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.780 -1.259 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.004 1.544 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.118 -2.642 -2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.528 1.449 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.690 -2.749 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.905 -0.706 -5.193 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.521 1.476 1.364 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.199 2.654 1.881 1.00 0.00 C ATOM 1382 C GLY A 89 -4.175 3.675 2.354 1.00 0.00 C ATOM 1383 O GLY A 89 -2.977 3.500 2.132 1.00 0.00 O ATOM 0 H GLY A 89 -3.506 1.528 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.830 3.091 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.854 2.374 2.706 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.609 4.771 2.978 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.642 5.706 3.569 1.00 0.00 C ATOM 1389 C ARG A 90 -2.975 5.003 4.764 1.00 0.00 C ATOM 1390 O ARG A 90 -3.673 4.290 5.491 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.277 7.051 3.978 1.00 0.00 C ATOM 1392 CG ARG A 90 -4.935 7.809 2.810 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.421 7.450 2.685 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.943 7.603 1.320 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.440 8.712 0.770 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -7.386 9.876 1.400 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -8.009 8.654 -0.421 1.00 0.00 N ATOM 0 H ARG A 90 -5.589 5.031 3.087 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.895 5.966 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.026 6.869 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.509 7.684 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.829 8.883 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.420 7.568 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.567 6.420 3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.998 8.082 3.360 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.923 6.772 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.958 9.936 2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.772 10.712 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.067 7.764 -0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.390 9.499 -0.846 1.00 0.00 H new ATOM 1411 N PRO A 91 -1.666 5.199 5.011 1.00 0.00 N ATOM 1412 CA PRO A 91 -0.969 4.548 6.123 1.00 0.00 C ATOM 1413 C PRO A 91 -1.508 5.003 7.487 1.00 0.00 C ATOM 1414 O PRO A 91 -1.473 4.238 8.453 1.00 0.00 O ATOM 1415 CB PRO A 91 0.515 4.884 5.940 1.00 0.00 C ATOM 1416 CG PRO A 91 0.507 6.164 5.105 1.00 0.00 C ATOM 1417 CD PRO A 91 -0.742 6.016 4.237 1.00 0.00 C ATOM 0 HA PRO A 91 -1.128 3.470 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 91 1.010 5.037 6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.046 4.079 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.456 7.053 5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.409 6.254 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.177 6.989 4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -0.503 5.542 3.285 1.00 0.00 H new ATOM 1425 N ARG A 92 -2.041 6.225 7.561 1.00 0.00 N ATOM 1426 CA ARG A 92 -2.795 6.779 8.682 1.00 0.00 C ATOM 1427 C ARG A 92 -3.939 7.550 8.041 1.00 0.00 C ATOM 1428 O ARG A 92 -3.738 8.139 6.973 1.00 0.00 O ATOM 1429 CB ARG A 92 -1.922 7.720 9.533 1.00 0.00 C ATOM 1430 CG ARG A 92 -0.787 6.993 10.275 1.00 0.00 C ATOM 1431 CD ARG A 92 0.041 7.950 11.142 1.00 0.00 C ATOM 1432 NE ARG A 92 -0.724 8.484 12.285 1.00 0.00 N ATOM 1433 CZ ARG A 92 -0.331 9.485 13.086 1.00 0.00 C ATOM 1434 NH1 ARG A 92 0.838 10.090 12.892 1.00 0.00 N ATOM 1435 NH2 ARG A 92 -1.117 9.876 14.084 1.00 0.00 N ATOM 0 H ARG A 92 -1.951 6.891 6.794 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.146 5.997 9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.492 8.487 8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.553 8.231 10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.209 6.209 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.135 6.505 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.924 7.428 11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.395 8.778 10.527 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.628 8.055 12.483 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.445 9.793 12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.127 10.850 13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.014 9.415 14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.823 10.637 14.696 1.00 0.00 H new ATOM 1449 N LEU A 93 -5.132 7.534 8.642 1.00 0.00 N ATOM 1450 CA LEU A 93 -6.299 8.160 8.026 1.00 0.00 C ATOM 1451 C LEU A 93 -6.024 9.643 7.852 1.00 0.00 C ATOM 1452 O LEU A 93 -5.731 10.371 8.802 1.00 0.00 O ATOM 1453 CB LEU A 93 -7.577 7.905 8.827 1.00 0.00 C ATOM 1454 CG LEU A 93 -8.924 8.373 8.227 1.00 0.00 C ATOM 1455 CD1 LEU A 93 -9.184 9.881 8.337 1.00 0.00 C ATOM 1456 CD2 LEU A 93 -9.113 7.917 6.775 1.00 0.00 C ATOM 0 H LEU A 93 -5.312 7.098 9.546 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.469 7.711 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.648 6.832 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.461 8.385 9.799 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.667 7.880 8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.150 10.117 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.188 10.174 9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.399 10.425 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.074 8.273 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.312 8.325 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.087 6.828 6.729 1.00 0.00 H new ATOM 1468 N THR A 94 -6.128 10.037 6.595 1.00 0.00 N ATOM 1469 CA THR A 94 -5.828 11.357 6.067 1.00 0.00 C ATOM 1470 C THR A 94 -6.662 11.506 4.795 1.00 0.00 C ATOM 1471 O THR A 94 -6.727 10.558 4.005 1.00 0.00 O ATOM 1472 CB THR A 94 -4.323 11.463 5.725 1.00 0.00 C ATOM 1473 OG1 THR A 94 -3.480 10.924 6.728 1.00 0.00 O ATOM 1474 CG2 THR A 94 -3.919 12.923 5.512 1.00 0.00 C ATOM 0 H THR A 94 -6.446 9.399 5.866 1.00 0.00 H new ATOM 0 HA THR A 94 -6.060 12.137 6.792 1.00 0.00 H new ATOM 0 HB THR A 94 -4.192 10.880 4.814 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.584 9.950 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.857 12.975 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.498 13.344 4.690 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.114 13.491 6.422 1.00 0.00 H new ATOM 1482 N SER A 95 -7.292 12.661 4.583 1.00 0.00 N ATOM 1483 CA SER A 95 -8.119 12.919 3.405 1.00 0.00 C ATOM 1484 C SER A 95 -8.285 14.425 3.119 1.00 0.00 C ATOM 1485 O SER A 95 -9.121 14.809 2.297 1.00 0.00 O ATOM 1486 CB SER A 95 -9.475 12.212 3.593 1.00 0.00 C ATOM 1487 OG SER A 95 -10.035 12.464 4.877 1.00 0.00 O ATOM 0 H SER A 95 -7.242 13.449 5.228 1.00 0.00 H new ATOM 0 HA SER A 95 -7.619 12.514 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.169 12.548 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.346 11.138 3.459 1.00 0.00 H new ATOM 0 HG SER A 95 -10.895 12.000 4.956 1.00 0.00 H new ATOM 1493 N ASN A 96 -7.526 15.289 3.803 1.00 0.00 N ATOM 1494 CA ASN A 96 -7.616 16.744 3.729 1.00 0.00 C ATOM 1495 C ASN A 96 -6.259 17.323 4.101 1.00 0.00 C ATOM 1496 O ASN A 96 -5.784 18.237 3.398 1.00 0.00 O ATOM 1497 CB ASN A 96 -8.671 17.281 4.703 1.00 0.00 C ATOM 1498 CG ASN A 96 -8.627 18.806 4.733 1.00 0.00 C ATOM 1499 OD1 ASN A 96 -9.088 19.468 3.807 1.00 0.00 O ATOM 1500 ND2 ASN A 96 -8.073 19.394 5.780 1.00 0.00 N ATOM 1501 OXT ASN A 96 -5.682 16.857 5.106 1.00 0.00 O ATOM 0 H ASN A 96 -6.802 14.975 4.450 1.00 0.00 H new ATOM 0 HA ASN A 96 -7.904 17.033 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -9.662 16.944 4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -8.491 16.884 5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -8.024 20.412 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -7.695 18.830 6.541 1.00 0.00 H new TER 1508 ASN A 96