USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 762 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 71 ASN : amide:sc= 0 X(o=-0.0051,f=0) USER MOD Set 1.2: A 72 ASN : amide:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.0097) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= 0.217 (180deg=-1.6!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00387 USER MOD Single : A 47 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.22) USER MOD Single : A 48 SER OG : rot 19:sc= 1.16 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 58 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-5.7!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.258 USER MOD Single : A 69 THR OG1 : rot 11:sc= 0.565 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.088) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.07) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.311 -7.227 -3.884 1.00 0.00 N ATOM 12 CA LEU A 2 10.017 -6.748 -4.331 1.00 0.00 C ATOM 13 C LEU A 2 8.973 -7.867 -4.301 1.00 0.00 C ATOM 14 O LEU A 2 8.516 -8.233 -3.231 1.00 0.00 O ATOM 15 CB LEU A 2 10.116 -6.029 -5.687 1.00 0.00 C ATOM 16 CG LEU A 2 10.991 -4.766 -5.716 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.844 -4.170 -7.115 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.591 -3.735 -4.655 1.00 0.00 C ATOM 0 HA LEU A 2 9.668 -5.993 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.505 -6.734 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.110 -5.758 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 2 12.023 -5.034 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.448 -3.266 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.181 -4.895 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.798 -3.924 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.246 -2.867 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.559 -3.426 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.684 -4.178 -3.664 1.00 0.00 H new ATOM 30 N THR A 3 8.621 -8.419 -5.457 1.00 0.00 N ATOM 31 CA THR A 3 7.630 -9.461 -5.673 1.00 0.00 C ATOM 32 C THR A 3 6.234 -8.838 -5.567 1.00 0.00 C ATOM 33 O THR A 3 5.919 -7.996 -4.720 1.00 0.00 O ATOM 34 CB THR A 3 7.820 -10.709 -4.778 1.00 0.00 C ATOM 35 OG1 THR A 3 9.046 -11.365 -5.086 1.00 0.00 O ATOM 36 CG2 THR A 3 6.692 -11.731 -4.963 1.00 0.00 C ATOM 0 H THR A 3 9.055 -8.126 -6.332 1.00 0.00 H new ATOM 0 HA THR A 3 7.765 -9.861 -6.678 1.00 0.00 H new ATOM 0 HB THR A 3 7.817 -10.349 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.150 -12.151 -4.510 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.869 -12.589 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.738 -11.271 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.666 -12.060 -6.002 1.00 0.00 H new ATOM 44 N THR A 4 5.401 -9.237 -6.515 1.00 0.00 N ATOM 45 CA THR A 4 4.019 -8.844 -6.653 1.00 0.00 C ATOM 46 C THR A 4 3.255 -9.978 -5.970 1.00 0.00 C ATOM 47 O THR A 4 3.265 -11.113 -6.446 1.00 0.00 O ATOM 48 CB THR A 4 3.693 -8.616 -8.143 1.00 0.00 C ATOM 49 OG1 THR A 4 4.399 -9.516 -8.984 1.00 0.00 O ATOM 50 CG2 THR A 4 4.130 -7.214 -8.584 1.00 0.00 C ATOM 0 H THR A 4 5.695 -9.882 -7.249 1.00 0.00 H new ATOM 0 HA THR A 4 3.749 -7.895 -6.189 1.00 0.00 H new ATOM 0 HB THR A 4 2.617 -8.760 -8.236 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.165 -9.342 -9.919 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.891 -7.073 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.605 -6.466 -7.990 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.205 -7.105 -8.438 1.00 0.00 H new ATOM 58 N ILE A 5 2.757 -9.726 -4.764 1.00 0.00 N ATOM 59 CA ILE A 5 1.998 -10.684 -3.971 1.00 0.00 C ATOM 60 C ILE A 5 0.557 -10.639 -4.480 1.00 0.00 C ATOM 61 O ILE A 5 0.055 -9.578 -4.863 1.00 0.00 O ATOM 62 CB ILE A 5 2.174 -10.408 -2.451 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.083 -11.074 -1.592 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.309 -8.910 -2.091 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.458 -11.109 -0.109 1.00 0.00 C ATOM 0 H ILE A 5 2.874 -8.825 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 5 2.362 -11.705 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 5 3.129 -10.874 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.145 -10.533 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.914 -12.091 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.428 -8.804 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.180 -8.492 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.414 -8.377 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.659 -11.587 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.382 -11.673 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.601 -10.091 0.254 1.00 0.00 H new ATOM 77 N SER A 6 -0.084 -11.796 -4.577 1.00 0.00 N ATOM 78 CA SER A 6 -1.461 -11.928 -5.025 1.00 0.00 C ATOM 79 C SER A 6 -2.407 -11.463 -3.907 1.00 0.00 C ATOM 80 O SER A 6 -1.995 -11.352 -2.744 1.00 0.00 O ATOM 81 CB SER A 6 -1.680 -13.407 -5.375 1.00 0.00 C ATOM 82 OG SER A 6 -1.152 -14.234 -4.351 1.00 0.00 O ATOM 0 H SER A 6 0.350 -12.688 -4.341 1.00 0.00 H new ATOM 0 HA SER A 6 -1.665 -11.311 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.744 -13.605 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.198 -13.639 -6.325 1.00 0.00 H new ATOM 0 HG SER A 6 -1.298 -15.175 -4.583 1.00 0.00 H new ATOM 88 N PRO A 7 -3.680 -11.165 -4.211 1.00 0.00 N ATOM 89 CA PRO A 7 -4.614 -10.754 -3.177 1.00 0.00 C ATOM 90 C PRO A 7 -4.963 -11.974 -2.309 1.00 0.00 C ATOM 91 O PRO A 7 -4.539 -13.095 -2.593 1.00 0.00 O ATOM 92 CB PRO A 7 -5.792 -10.171 -3.944 1.00 0.00 C ATOM 93 CG PRO A 7 -5.829 -11.016 -5.212 1.00 0.00 C ATOM 94 CD PRO A 7 -4.343 -11.223 -5.509 1.00 0.00 C ATOM 0 HA PRO A 7 -4.230 -10.010 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.721 -10.251 -3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.645 -9.114 -4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.348 -11.962 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.339 -10.503 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.169 -12.182 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.964 -10.451 -6.179 1.00 0.00 H new ATOM 102 N HIS A 8 -5.749 -11.766 -1.251 1.00 0.00 N ATOM 103 CA HIS A 8 -6.188 -12.771 -0.281 1.00 0.00 C ATOM 104 C HIS A 8 -5.046 -13.140 0.670 1.00 0.00 C ATOM 105 O HIS A 8 -5.259 -13.152 1.883 1.00 0.00 O ATOM 106 CB HIS A 8 -6.863 -13.983 -0.948 1.00 0.00 C ATOM 107 CG HIS A 8 -7.830 -14.711 -0.048 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.508 -15.468 1.056 1.00 0.00 N ATOM 109 CD2 HIS A 8 -9.189 -14.765 -0.205 1.00 0.00 C ATOM 110 CE1 HIS A 8 -8.652 -15.961 1.555 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.708 -15.557 0.829 1.00 0.00 N ATOM 0 H HIS A 8 -6.117 -10.839 -1.036 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.973 -12.329 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.393 -13.647 -1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.093 -14.680 -1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.759 -14.284 -0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.715 -16.598 2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.689 -15.781 0.996 1.00 0.00 H new ATOM 119 N ASP A 9 -3.834 -13.376 0.162 1.00 0.00 N ATOM 120 CA ASP A 9 -2.657 -13.716 0.965 1.00 0.00 C ATOM 121 C ASP A 9 -2.304 -12.526 1.852 1.00 0.00 C ATOM 122 O ASP A 9 -2.208 -12.657 3.072 1.00 0.00 O ATOM 123 CB ASP A 9 -1.461 -14.100 0.074 1.00 0.00 C ATOM 124 CG ASP A 9 -1.442 -15.604 -0.179 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.167 -16.091 -1.080 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.727 -16.315 0.561 1.00 0.00 O ATOM 0 H ASP A 9 -3.640 -13.335 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.889 -14.582 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.521 -13.567 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.531 -13.794 0.553 1.00 0.00 H new ATOM 131 N ALA A 10 -2.186 -11.335 1.255 1.00 0.00 N ATOM 132 CA ALA A 10 -1.845 -10.120 1.986 1.00 0.00 C ATOM 133 C ALA A 10 -2.829 -9.780 3.098 1.00 0.00 C ATOM 134 O ALA A 10 -2.410 -9.161 4.069 1.00 0.00 O ATOM 135 CB ALA A 10 -1.674 -8.951 1.024 1.00 0.00 C ATOM 0 H ALA A 10 -2.325 -11.191 0.255 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.895 -10.315 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.420 -8.052 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.875 -9.175 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.605 -8.788 0.480 1.00 0.00 H new ATOM 141 N GLN A 11 -4.107 -10.168 2.995 1.00 0.00 N ATOM 142 CA GLN A 11 -5.106 -9.893 4.023 1.00 0.00 C ATOM 143 C GLN A 11 -4.667 -10.476 5.373 1.00 0.00 C ATOM 144 O GLN A 11 -5.100 -9.993 6.423 1.00 0.00 O ATOM 145 CB GLN A 11 -6.443 -10.538 3.593 1.00 0.00 C ATOM 146 CG GLN A 11 -7.581 -10.225 4.575 1.00 0.00 C ATOM 147 CD GLN A 11 -8.925 -10.868 4.252 1.00 0.00 C ATOM 148 OE1 GLN A 11 -9.954 -10.204 4.294 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.961 -12.170 4.000 1.00 0.00 N ATOM 0 H GLN A 11 -4.473 -10.682 2.193 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.221 -8.815 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.714 -10.180 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.316 -11.618 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.275 -10.545 5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.716 -9.144 4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.095 -12.708 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.855 -12.633 3.837 1.00 0.00 H new ATOM 158 N GLU A 12 -3.866 -11.541 5.330 1.00 0.00 N ATOM 159 CA GLU A 12 -3.379 -12.240 6.490 1.00 0.00 C ATOM 160 C GLU A 12 -2.261 -11.430 7.139 1.00 0.00 C ATOM 161 O GLU A 12 -2.444 -10.915 8.236 1.00 0.00 O ATOM 162 CB GLU A 12 -2.983 -13.663 6.043 1.00 0.00 C ATOM 163 CG GLU A 12 -3.470 -14.736 7.014 1.00 0.00 C ATOM 164 CD GLU A 12 -2.694 -14.710 8.325 1.00 0.00 C ATOM 165 OE1 GLU A 12 -1.624 -15.354 8.399 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.151 -14.051 9.282 1.00 0.00 O ATOM 0 H GLU A 12 -3.535 -11.943 4.453 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.135 -12.350 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.396 -13.858 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.898 -13.724 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.531 -14.588 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.368 -15.718 6.551 1.00 0.00 H new ATOM 173 N LEU A 13 -1.133 -11.237 6.449 1.00 0.00 N ATOM 174 CA LEU A 13 0.021 -10.502 6.968 1.00 0.00 C ATOM 175 C LEU A 13 -0.303 -9.074 7.429 1.00 0.00 C ATOM 176 O LEU A 13 0.313 -8.578 8.375 1.00 0.00 O ATOM 177 CB LEU A 13 1.213 -10.616 5.997 1.00 0.00 C ATOM 178 CG LEU A 13 0.923 -10.291 4.522 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.914 -8.804 4.191 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.954 -10.934 3.601 1.00 0.00 C ATOM 0 H LEU A 13 -0.995 -11.592 5.503 1.00 0.00 H new ATOM 0 HA LEU A 13 0.328 -10.983 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.003 -9.950 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.604 -11.632 6.053 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.078 -10.691 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.702 -8.669 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.146 -8.304 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.888 -8.374 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.722 -10.686 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.947 -10.560 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.931 -12.016 3.729 1.00 0.00 H new ATOM 192 N ILE A 14 -1.297 -8.413 6.836 1.00 0.00 N ATOM 193 CA ILE A 14 -1.699 -7.059 7.216 1.00 0.00 C ATOM 194 C ILE A 14 -2.297 -7.090 8.630 1.00 0.00 C ATOM 195 O ILE A 14 -2.096 -6.172 9.425 1.00 0.00 O ATOM 196 CB ILE A 14 -2.624 -6.500 6.106 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.940 -5.352 5.337 1.00 0.00 C ATOM 198 CG2 ILE A 14 -4.059 -6.180 6.540 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.121 -5.503 3.824 1.00 0.00 C ATOM 0 H ILE A 14 -1.850 -8.805 6.073 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.859 -6.368 7.281 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.770 -7.325 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.356 -4.398 5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.877 -5.335 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.620 -5.796 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.538 -7.086 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.041 -5.430 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.626 -4.676 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.682 -6.446 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.184 -5.494 3.582 1.00 0.00 H new ATOM 211 N ALA A 15 -3.033 -8.150 8.973 1.00 0.00 N ATOM 212 CA ALA A 15 -3.632 -8.323 10.289 1.00 0.00 C ATOM 213 C ALA A 15 -2.591 -8.884 11.271 1.00 0.00 C ATOM 214 O ALA A 15 -2.934 -9.202 12.408 1.00 0.00 O ATOM 215 CB ALA A 15 -4.842 -9.258 10.176 1.00 0.00 C ATOM 0 H ALA A 15 -3.229 -8.919 8.333 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.969 -7.359 10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.293 -9.390 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.575 -8.824 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.519 -10.226 9.792 1.00 0.00 H new ATOM 221 N ARG A 16 -1.325 -9.025 10.861 1.00 0.00 N ATOM 222 CA ARG A 16 -0.248 -9.567 11.687 1.00 0.00 C ATOM 223 C ARG A 16 0.837 -8.541 11.988 1.00 0.00 C ATOM 224 O ARG A 16 1.545 -8.719 12.976 1.00 0.00 O ATOM 225 CB ARG A 16 0.369 -10.773 10.986 1.00 0.00 C ATOM 226 CG ARG A 16 -0.645 -11.883 10.679 1.00 0.00 C ATOM 227 CD ARG A 16 -0.809 -12.897 11.816 1.00 0.00 C ATOM 228 NE ARG A 16 -1.154 -14.211 11.255 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.619 -15.396 11.554 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.160 -15.558 12.615 1.00 0.00 N ATOM 231 NH2 ARG A 16 -0.837 -16.435 10.765 1.00 0.00 N ATOM 0 H ARG A 16 -1.018 -8.759 9.925 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.686 -9.860 12.641 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.831 -10.446 10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.164 -11.180 11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.613 -11.430 10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.333 -12.409 9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.114 -12.966 12.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.589 -12.567 12.502 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.892 -14.218 10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.363 -14.766 13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.557 -16.475 12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.413 -16.329 9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.429 -17.342 10.992 1.00 0.00 H new ATOM 245 N GLY A 17 0.982 -7.494 11.174 1.00 0.00 N ATOM 246 CA GLY A 17 1.990 -6.466 11.392 1.00 0.00 C ATOM 247 C GLY A 17 2.609 -5.904 10.116 1.00 0.00 C ATOM 248 O GLY A 17 3.439 -4.994 10.231 1.00 0.00 O ATOM 0 H GLY A 17 0.404 -7.339 10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.540 -5.647 11.953 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.784 -6.880 12.014 1.00 0.00 H new ATOM 252 N ALA A 18 2.289 -6.428 8.922 1.00 0.00 N ATOM 253 CA ALA A 18 2.846 -5.898 7.676 1.00 0.00 C ATOM 254 C ALA A 18 2.373 -4.448 7.517 1.00 0.00 C ATOM 255 O ALA A 18 1.259 -4.144 7.939 1.00 0.00 O ATOM 256 CB ALA A 18 2.418 -6.750 6.484 1.00 0.00 C ATOM 0 H ALA A 18 1.651 -7.214 8.798 1.00 0.00 H new ATOM 0 HA ALA A 18 3.935 -5.927 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.844 -6.337 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.773 -7.771 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.331 -6.751 6.409 1.00 0.00 H new ATOM 262 N LYS A 19 3.164 -3.569 6.883 1.00 0.00 N ATOM 263 CA LYS A 19 2.821 -2.151 6.712 1.00 0.00 C ATOM 264 C LYS A 19 2.736 -1.669 5.275 1.00 0.00 C ATOM 265 O LYS A 19 3.737 -1.513 4.588 1.00 0.00 O ATOM 266 CB LYS A 19 3.739 -1.285 7.583 1.00 0.00 C ATOM 267 CG LYS A 19 2.999 -0.574 8.722 1.00 0.00 C ATOM 268 CD LYS A 19 2.310 -1.568 9.666 1.00 0.00 C ATOM 269 CE LYS A 19 0.793 -1.668 9.504 1.00 0.00 C ATOM 270 NZ LYS A 19 0.074 -0.506 10.045 1.00 0.00 N ATOM 0 H LYS A 19 4.063 -3.824 6.473 1.00 0.00 H new ATOM 0 HA LYS A 19 1.794 -2.041 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.525 -1.911 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.227 -0.540 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.704 0.035 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.255 0.104 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.743 -2.556 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.532 -1.283 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.554 -1.775 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.440 -2.570 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.602 -0.822 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.754 0.156 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.440 -0.028 9.278 1.00 0.00 H new ATOM 284 N LEU A 20 1.525 -1.459 4.798 1.00 0.00 N ATOM 285 CA LEU A 20 1.267 -0.986 3.441 1.00 0.00 C ATOM 286 C LEU A 20 1.372 0.542 3.411 1.00 0.00 C ATOM 287 O LEU A 20 0.856 1.214 4.307 1.00 0.00 O ATOM 288 CB LEU A 20 -0.118 -1.466 2.998 1.00 0.00 C ATOM 289 CG LEU A 20 -0.369 -1.470 1.481 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.584 -2.364 1.214 1.00 0.00 C ATOM 291 CD2 LEU A 20 -0.560 -0.075 0.870 1.00 0.00 C ATOM 0 H LEU A 20 0.678 -1.612 5.345 1.00 0.00 H new ATOM 0 HA LEU A 20 2.004 -1.389 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.270 -2.477 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.870 -0.834 3.470 1.00 0.00 H new ATOM 0 HG LEU A 20 0.524 -1.858 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.790 -2.389 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.377 -3.374 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.451 -1.966 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.732 -0.168 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.418 0.411 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.334 0.524 1.044 1.00 0.00 H new ATOM 303 N ILE A 21 1.985 1.106 2.370 1.00 0.00 N ATOM 304 CA ILE A 21 2.150 2.546 2.200 1.00 0.00 C ATOM 305 C ILE A 21 1.450 2.962 0.908 1.00 0.00 C ATOM 306 O ILE A 21 1.753 2.455 -0.181 1.00 0.00 O ATOM 307 CB ILE A 21 3.644 2.945 2.203 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.543 2.183 3.203 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.787 4.464 2.402 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.227 2.409 4.685 1.00 0.00 C ATOM 0 H ILE A 21 2.388 0.562 1.607 1.00 0.00 H new ATOM 0 HA ILE A 21 1.695 3.072 3.039 1.00 0.00 H new ATOM 0 HB ILE A 21 4.013 2.646 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.466 1.116 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.579 2.470 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.843 4.733 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.280 4.987 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.339 4.750 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.917 1.828 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.334 3.467 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.204 2.093 4.891 1.00 0.00 H new ATOM 322 N ASP A 22 0.493 3.879 1.053 1.00 0.00 N ATOM 323 CA ASP A 22 -0.297 4.437 -0.033 1.00 0.00 C ATOM 324 C ASP A 22 0.561 5.512 -0.712 1.00 0.00 C ATOM 325 O ASP A 22 0.341 6.705 -0.493 1.00 0.00 O ATOM 326 CB ASP A 22 -1.606 5.071 0.499 1.00 0.00 C ATOM 327 CG ASP A 22 -2.783 4.148 0.827 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.846 4.700 1.224 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.650 2.920 0.711 1.00 0.00 O ATOM 0 H ASP A 22 0.242 4.264 1.964 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.576 3.650 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.361 5.630 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.948 5.795 -0.240 1.00 0.00 H new ATOM 334 N ILE A 23 1.530 5.147 -1.559 1.00 0.00 N ATOM 335 CA ILE A 23 2.389 6.130 -2.246 1.00 0.00 C ATOM 336 C ILE A 23 1.700 6.668 -3.512 1.00 0.00 C ATOM 337 O ILE A 23 2.339 6.962 -4.516 1.00 0.00 O ATOM 338 CB ILE A 23 3.798 5.529 -2.509 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.850 4.269 -3.413 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.452 5.168 -1.165 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.260 4.532 -4.864 1.00 0.00 C ATOM 0 H ILE A 23 1.743 4.176 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 23 2.541 6.994 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 23 4.328 6.310 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.549 3.556 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.868 3.796 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.441 4.746 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.545 6.065 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.834 4.437 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.267 3.592 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.549 5.218 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.256 4.974 -4.886 1.00 0.00 H new ATOM 353 N ARG A 24 0.383 6.871 -3.447 1.00 0.00 N ATOM 354 CA ARG A 24 -0.440 7.351 -4.552 1.00 0.00 C ATOM 355 C ARG A 24 -0.649 8.853 -4.502 1.00 0.00 C ATOM 356 O ARG A 24 0.175 9.599 -5.027 1.00 0.00 O ATOM 357 CB ARG A 24 -1.772 6.572 -4.661 1.00 0.00 C ATOM 358 CG ARG A 24 -2.329 6.124 -3.300 1.00 0.00 C ATOM 359 CD ARG A 24 -3.848 5.910 -3.310 1.00 0.00 C ATOM 360 NE ARG A 24 -4.373 5.933 -1.939 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.596 5.598 -1.517 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.530 5.189 -2.359 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.900 5.711 -0.233 1.00 0.00 N ATOM 0 H ARG A 24 -0.154 6.700 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 24 0.114 7.151 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.511 7.199 -5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.621 5.695 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.840 5.197 -3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.079 6.872 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.328 6.688 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.085 4.956 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.722 6.244 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.325 5.123 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.456 4.939 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.202 6.052 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.832 5.457 0.095 1.00 0.00 H new ATOM 377 N ASP A 25 -1.764 9.295 -3.925 1.00 0.00 N ATOM 378 CA ASP A 25 -2.140 10.690 -3.840 1.00 0.00 C ATOM 379 C ASP A 25 -3.164 10.892 -2.722 1.00 0.00 C ATOM 380 O ASP A 25 -3.859 9.947 -2.328 1.00 0.00 O ATOM 381 CB ASP A 25 -2.774 11.018 -5.186 1.00 0.00 C ATOM 382 CG ASP A 25 -3.059 12.493 -5.327 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.124 13.241 -5.683 1.00 0.00 O ATOM 384 OD2 ASP A 25 -4.222 12.900 -5.147 1.00 0.00 O ATOM 0 H ASP A 25 -2.445 8.669 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.284 11.329 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.109 10.698 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.702 10.456 -5.297 1.00 0.00 H new ATOM 389 N ALA A 26 -3.273 12.122 -2.222 1.00 0.00 N ATOM 390 CA ALA A 26 -4.183 12.490 -1.142 1.00 0.00 C ATOM 391 C ALA A 26 -5.656 12.578 -1.560 1.00 0.00 C ATOM 392 O ALA A 26 -6.529 12.359 -0.719 1.00 0.00 O ATOM 393 CB ALA A 26 -3.728 13.829 -0.553 1.00 0.00 C ATOM 0 H ALA A 26 -2.718 12.906 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.136 11.690 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.399 14.117 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.714 13.730 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.747 14.593 -1.330 1.00 0.00 H new ATOM 399 N ASP A 27 -5.955 12.874 -2.829 1.00 0.00 N ATOM 400 CA ASP A 27 -7.340 12.989 -3.299 1.00 0.00 C ATOM 401 C ASP A 27 -8.044 11.639 -3.259 1.00 0.00 C ATOM 402 O ASP A 27 -9.265 11.582 -3.138 1.00 0.00 O ATOM 403 CB ASP A 27 -7.429 13.525 -4.742 1.00 0.00 C ATOM 404 CG ASP A 27 -7.322 15.042 -4.873 1.00 0.00 C ATOM 405 OD1 ASP A 27 -7.969 15.597 -5.793 1.00 0.00 O ATOM 406 OD2 ASP A 27 -6.664 15.706 -4.035 1.00 0.00 O ATOM 0 H ASP A 27 -5.254 13.039 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.825 13.695 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.636 13.067 -5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.376 13.204 -5.175 1.00 0.00 H new ATOM 411 N GLU A 28 -7.301 10.542 -3.365 1.00 0.00 N ATOM 412 CA GLU A 28 -7.870 9.201 -3.353 1.00 0.00 C ATOM 413 C GLU A 28 -8.304 8.835 -1.935 1.00 0.00 C ATOM 414 O GLU A 28 -9.392 8.288 -1.750 1.00 0.00 O ATOM 415 CB GLU A 28 -6.860 8.198 -3.924 1.00 0.00 C ATOM 416 CG GLU A 28 -6.201 8.643 -5.242 1.00 0.00 C ATOM 417 CD GLU A 28 -7.170 8.857 -6.409 1.00 0.00 C ATOM 418 OE1 GLU A 28 -8.099 9.688 -6.348 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.961 8.222 -7.467 1.00 0.00 O ATOM 0 H GLU A 28 -6.286 10.559 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.756 9.170 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.080 8.023 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.364 7.245 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.659 9.572 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.464 7.894 -5.533 1.00 0.00 H new ATOM 426 N TYR A 29 -7.479 9.181 -0.936 1.00 0.00 N ATOM 427 CA TYR A 29 -7.768 8.900 0.468 1.00 0.00 C ATOM 428 C TYR A 29 -8.999 9.676 0.977 1.00 0.00 C ATOM 429 O TYR A 29 -9.515 9.422 2.068 1.00 0.00 O ATOM 430 CB TYR A 29 -6.522 9.109 1.339 1.00 0.00 C ATOM 431 CG TYR A 29 -6.746 8.737 2.795 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.273 7.478 3.151 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.551 9.708 3.789 1.00 0.00 C ATOM 434 CE1 TYR A 29 -7.675 7.224 4.475 1.00 0.00 C ATOM 435 CE2 TYR A 29 -6.957 9.462 5.110 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.545 8.228 5.456 1.00 0.00 C ATOM 437 OH TYR A 29 -7.984 7.998 6.720 1.00 0.00 O ATOM 0 H TYR A 29 -6.593 9.664 -1.084 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.036 7.846 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.702 8.512 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.215 10.153 1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.368 6.705 2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.086 10.650 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.083 6.260 4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.818 10.222 5.865 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.819 8.790 7.273 1.00 0.00 H new ATOM 447 N LEU A 30 -9.484 10.655 0.212 1.00 0.00 N ATOM 448 CA LEU A 30 -10.651 11.439 0.548 1.00 0.00 C ATOM 449 C LEU A 30 -11.907 10.576 0.428 1.00 0.00 C ATOM 450 O LEU A 30 -12.804 10.673 1.272 1.00 0.00 O ATOM 451 CB LEU A 30 -10.709 12.610 -0.444 1.00 0.00 C ATOM 452 CG LEU A 30 -11.784 13.641 -0.092 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.329 15.012 -0.588 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.155 13.350 -0.723 1.00 0.00 C ATOM 0 H LEU A 30 -9.060 10.923 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.595 11.808 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.737 13.103 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.900 12.222 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.905 13.602 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.086 15.757 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.388 15.279 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.187 14.979 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.863 14.124 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.061 13.340 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.514 12.380 -0.381 1.00 0.00 H new ATOM 466 N ARG A 31 -11.975 9.768 -0.638 1.00 0.00 N ATOM 467 CA ARG A 31 -13.101 8.899 -0.948 1.00 0.00 C ATOM 468 C ARG A 31 -12.953 7.463 -0.474 1.00 0.00 C ATOM 469 O ARG A 31 -13.932 6.902 0.021 1.00 0.00 O ATOM 470 CB ARG A 31 -13.297 8.835 -2.474 1.00 0.00 C ATOM 471 CG ARG A 31 -13.795 10.132 -3.122 1.00 0.00 C ATOM 472 CD ARG A 31 -14.484 9.827 -4.465 1.00 0.00 C ATOM 473 NE ARG A 31 -15.178 11.016 -4.987 1.00 0.00 N ATOM 474 CZ ARG A 31 -14.597 12.021 -5.655 1.00 0.00 C ATOM 475 NH1 ARG A 31 -13.372 11.892 -6.144 1.00 0.00 N ATOM 476 NH2 ARG A 31 -15.266 13.152 -5.820 1.00 0.00 N ATOM 0 H ARG A 31 -11.223 9.704 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.945 9.341 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.349 8.558 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.006 8.039 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.493 10.636 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.958 10.812 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.743 9.488 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.198 9.014 -4.335 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.183 11.080 -4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.860 11.019 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.941 12.665 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.208 13.247 -5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.839 13.928 -6.326 1.00 0.00 H new ATOM 490 N GLU A 32 -11.786 6.850 -0.639 1.00 0.00 N ATOM 491 CA GLU A 32 -11.567 5.455 -0.271 1.00 0.00 C ATOM 492 C GLU A 32 -10.234 5.269 0.435 1.00 0.00 C ATOM 493 O GLU A 32 -9.574 6.228 0.824 1.00 0.00 O ATOM 494 CB GLU A 32 -11.564 4.622 -1.565 1.00 0.00 C ATOM 495 CG GLU A 32 -12.911 4.563 -2.299 1.00 0.00 C ATOM 496 CD GLU A 32 -12.792 3.866 -3.652 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.259 2.716 -3.809 1.00 0.00 O ATOM 498 OE2 GLU A 32 -12.253 4.480 -4.603 1.00 0.00 O ATOM 0 H GLU A 32 -10.963 7.307 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.357 5.138 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.815 5.033 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.253 3.605 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.638 4.035 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.290 5.575 -2.444 1.00 0.00 H new ATOM 505 N HIS A 33 -9.868 4.016 0.684 1.00 0.00 N ATOM 506 CA HIS A 33 -8.626 3.625 1.308 1.00 0.00 C ATOM 507 C HIS A 33 -8.306 2.226 0.791 1.00 0.00 C ATOM 508 O HIS A 33 -8.737 1.891 -0.304 1.00 0.00 O ATOM 509 CB HIS A 33 -8.738 3.785 2.811 1.00 0.00 C ATOM 510 CG HIS A 33 -7.465 3.608 3.601 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.167 3.880 3.199 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.423 3.215 4.910 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.380 3.689 4.268 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.093 3.264 5.325 1.00 0.00 N ATOM 0 H HIS A 33 -10.458 3.219 0.444 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.777 4.259 1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.135 4.779 3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.470 3.066 3.178 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.867 4.170 2.268 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.268 2.920 5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.313 3.855 4.278 1.00 0.00 H new ATOM 522 N ILE A 34 -7.582 1.417 1.544 1.00 0.00 N ATOM 523 CA ILE A 34 -7.132 0.072 1.183 1.00 0.00 C ATOM 524 C ILE A 34 -7.078 -0.844 2.430 1.00 0.00 C ATOM 525 O ILE A 34 -7.404 -0.359 3.518 1.00 0.00 O ATOM 526 CB ILE A 34 -5.707 0.330 0.561 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.518 -0.276 -0.852 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.552 0.130 1.554 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.159 -0.893 -1.210 1.00 0.00 C ATOM 0 H ILE A 34 -7.272 1.690 2.477 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.797 -0.445 0.491 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.660 1.400 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.277 -1.047 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.728 0.508 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.604 0.325 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.669 0.818 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.563 -0.896 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.189 -1.272 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.382 -0.133 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.940 -1.712 -0.525 1.00 0.00 H new ATOM 541 N PRO A 35 -6.698 -2.138 2.297 1.00 0.00 N ATOM 542 CA PRO A 35 -6.558 -3.090 3.396 1.00 0.00 C ATOM 543 C PRO A 35 -5.361 -2.702 4.271 1.00 0.00 C ATOM 544 O PRO A 35 -4.308 -3.321 4.196 1.00 0.00 O ATOM 545 CB PRO A 35 -6.442 -4.481 2.759 1.00 0.00 C ATOM 546 CG PRO A 35 -5.980 -4.238 1.322 1.00 0.00 C ATOM 547 CD PRO A 35 -6.320 -2.782 1.047 1.00 0.00 C ATOM 0 HA PRO A 35 -7.416 -3.088 4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.728 -5.102 3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.399 -5.003 2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.911 -4.422 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.490 -4.902 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.464 -2.273 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.136 -2.716 0.328 1.00 0.00 H new ATOM 555 N GLU A 36 -5.588 -1.714 5.135 1.00 0.00 N ATOM 556 CA GLU A 36 -4.692 -1.112 6.109 1.00 0.00 C ATOM 557 C GLU A 36 -3.461 -0.453 5.498 1.00 0.00 C ATOM 558 O GLU A 36 -2.563 -1.144 5.032 1.00 0.00 O ATOM 559 CB GLU A 36 -4.302 -2.129 7.199 1.00 0.00 C ATOM 560 CG GLU A 36 -4.054 -1.492 8.585 1.00 0.00 C ATOM 561 CD GLU A 36 -2.817 -0.597 8.744 1.00 0.00 C ATOM 562 OE1 GLU A 36 -1.821 -0.713 8.003 1.00 0.00 O ATOM 563 OE2 GLU A 36 -2.771 0.246 9.669 1.00 0.00 O ATOM 0 H GLU A 36 -6.506 -1.271 5.169 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.255 -0.300 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.093 -2.874 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.401 -2.657 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.932 -0.901 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.983 -2.297 9.317 1.00 0.00 H new ATOM 570 N ALA A 37 -3.410 0.880 5.490 1.00 0.00 N ATOM 571 CA ALA A 37 -2.278 1.652 5.001 1.00 0.00 C ATOM 572 C ALA A 37 -2.267 3.005 5.715 1.00 0.00 C ATOM 573 O ALA A 37 -3.146 3.287 6.531 1.00 0.00 O ATOM 574 CB ALA A 37 -2.353 1.823 3.490 1.00 0.00 C ATOM 0 H ALA A 37 -4.175 1.462 5.832 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.349 1.124 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.497 2.403 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.343 0.843 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.273 2.345 3.228 1.00 0.00 H new ATOM 580 N ASP A 38 -1.286 3.860 5.437 1.00 0.00 N ATOM 581 CA ASP A 38 -1.175 5.195 6.036 1.00 0.00 C ATOM 582 C ASP A 38 -0.963 6.203 4.907 1.00 0.00 C ATOM 583 O ASP A 38 -0.532 5.815 3.817 1.00 0.00 O ATOM 584 CB ASP A 38 -0.071 5.235 7.094 1.00 0.00 C ATOM 585 CG ASP A 38 -0.431 6.169 8.250 1.00 0.00 C ATOM 586 OD1 ASP A 38 -1.183 5.761 9.158 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.039 7.331 8.268 1.00 0.00 O ATOM 0 H ASP A 38 -0.534 3.646 4.782 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.090 5.456 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.102 4.230 7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.861 5.565 6.635 1.00 0.00 H new ATOM 592 N LEU A 39 -1.297 7.481 5.108 1.00 0.00 N ATOM 593 CA LEU A 39 -1.150 8.495 4.066 1.00 0.00 C ATOM 594 C LEU A 39 0.298 8.944 3.959 1.00 0.00 C ATOM 595 O LEU A 39 0.850 9.492 4.922 1.00 0.00 O ATOM 596 CB LEU A 39 -2.087 9.685 4.336 1.00 0.00 C ATOM 597 CG LEU A 39 -2.050 10.780 3.251 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.542 10.263 1.895 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.940 11.949 3.673 1.00 0.00 C ATOM 0 H LEU A 39 -1.672 7.837 5.987 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.434 8.056 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.108 9.315 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.822 10.131 5.295 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.012 11.096 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.499 11.068 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.908 9.439 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.570 9.914 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.913 12.722 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.964 11.599 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.578 12.360 4.615 1.00 0.00 H new ATOM 611 N ALA A 40 0.916 8.695 2.806 1.00 0.00 N ATOM 612 CA ALA A 40 2.288 9.068 2.502 1.00 0.00 C ATOM 613 C ALA A 40 2.487 9.037 0.976 1.00 0.00 C ATOM 614 O ALA A 40 3.120 8.101 0.489 1.00 0.00 O ATOM 615 CB ALA A 40 3.256 8.130 3.245 1.00 0.00 C ATOM 0 H ALA A 40 0.456 8.212 2.035 1.00 0.00 H new ATOM 0 HA ALA A 40 2.500 10.081 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.284 8.412 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.089 8.211 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.082 7.102 2.927 1.00 0.00 H new ATOM 621 N PRO A 41 1.952 10.018 0.219 1.00 0.00 N ATOM 622 CA PRO A 41 2.112 10.056 -1.230 1.00 0.00 C ATOM 623 C PRO A 41 3.589 10.161 -1.627 1.00 0.00 C ATOM 624 O PRO A 41 4.447 10.516 -0.812 1.00 0.00 O ATOM 625 CB PRO A 41 1.282 11.242 -1.737 1.00 0.00 C ATOM 626 CG PRO A 41 0.937 12.075 -0.504 1.00 0.00 C ATOM 627 CD PRO A 41 1.175 11.154 0.694 1.00 0.00 C ATOM 0 HA PRO A 41 1.758 9.132 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.846 11.831 -2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.378 10.898 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.563 12.965 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.098 12.415 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.709 11.682 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.227 10.821 1.117 1.00 0.00 H new ATOM 635 N LEU A 42 3.877 9.891 -2.905 1.00 0.00 N ATOM 636 CA LEU A 42 5.230 9.928 -3.453 1.00 0.00 C ATOM 637 C LEU A 42 5.929 11.256 -3.161 1.00 0.00 C ATOM 638 O LEU A 42 7.125 11.245 -2.876 1.00 0.00 O ATOM 639 CB LEU A 42 5.199 9.636 -4.958 1.00 0.00 C ATOM 640 CG LEU A 42 6.602 9.504 -5.584 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.345 8.255 -5.090 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.454 9.444 -7.104 1.00 0.00 C ATOM 0 H LEU A 42 3.167 9.638 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 42 5.813 9.151 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.644 8.714 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.657 10.434 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 42 7.192 10.370 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.328 8.207 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.462 8.306 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.774 7.364 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.439 9.351 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.844 8.583 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.974 10.356 -7.459 1.00 0.00 H new ATOM 654 N SER A 43 5.202 12.378 -3.188 1.00 0.00 N ATOM 655 CA SER A 43 5.755 13.698 -2.903 1.00 0.00 C ATOM 656 C SER A 43 6.465 13.680 -1.541 1.00 0.00 C ATOM 657 O SER A 43 7.598 14.134 -1.408 1.00 0.00 O ATOM 658 CB SER A 43 4.624 14.740 -2.905 1.00 0.00 C ATOM 659 OG SER A 43 3.757 14.594 -4.019 1.00 0.00 O ATOM 0 H SER A 43 4.207 12.391 -3.410 1.00 0.00 H new ATOM 0 HA SER A 43 6.481 13.964 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.047 14.648 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.056 15.741 -2.912 1.00 0.00 H new ATOM 0 HG SER A 43 3.054 15.275 -3.978 1.00 0.00 H new ATOM 665 N VAL A 44 5.811 13.117 -0.524 1.00 0.00 N ATOM 666 CA VAL A 44 6.320 13.021 0.835 1.00 0.00 C ATOM 667 C VAL A 44 7.511 12.062 0.896 1.00 0.00 C ATOM 668 O VAL A 44 8.518 12.379 1.532 1.00 0.00 O ATOM 669 CB VAL A 44 5.179 12.602 1.788 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.604 12.763 3.249 1.00 0.00 C ATOM 671 CG2 VAL A 44 3.919 13.448 1.556 1.00 0.00 C ATOM 0 H VAL A 44 4.885 12.704 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 44 6.684 13.996 1.160 1.00 0.00 H new ATOM 0 HB VAL A 44 4.958 11.556 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.784 12.462 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.474 12.136 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.857 13.806 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.135 13.128 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.149 14.499 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.578 13.318 0.529 1.00 0.00 H new ATOM 681 N LEU A 45 7.424 10.901 0.239 1.00 0.00 N ATOM 682 CA LEU A 45 8.496 9.899 0.229 1.00 0.00 C ATOM 683 C LEU A 45 9.786 10.501 -0.332 1.00 0.00 C ATOM 684 O LEU A 45 10.873 10.197 0.151 1.00 0.00 O ATOM 685 CB LEU A 45 8.089 8.677 -0.622 1.00 0.00 C ATOM 686 CG LEU A 45 7.054 7.679 -0.046 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.718 6.346 0.314 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.286 8.140 1.198 1.00 0.00 C ATOM 0 H LEU A 45 6.604 10.628 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 45 8.666 9.578 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.697 9.050 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.996 8.117 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 45 6.332 7.589 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.969 5.663 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.165 5.909 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.493 6.516 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.592 7.358 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.989 8.342 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.730 9.048 0.966 1.00 0.00 H new ATOM 700 N GLU A 46 9.661 11.349 -1.349 1.00 0.00 N ATOM 701 CA GLU A 46 10.738 12.031 -2.034 1.00 0.00 C ATOM 702 C GLU A 46 11.267 13.185 -1.189 1.00 0.00 C ATOM 703 O GLU A 46 12.438 13.548 -1.301 1.00 0.00 O ATOM 704 CB GLU A 46 10.166 12.552 -3.356 1.00 0.00 C ATOM 705 CG GLU A 46 10.056 11.447 -4.410 1.00 0.00 C ATOM 706 CD GLU A 46 11.359 11.277 -5.181 1.00 0.00 C ATOM 707 OE1 GLU A 46 11.527 11.978 -6.204 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.171 10.382 -4.841 1.00 0.00 O ATOM 0 H GLU A 46 8.747 11.588 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 46 11.573 11.353 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.181 12.984 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.801 13.352 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.793 10.506 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.250 11.684 -5.104 1.00 0.00 H new ATOM 715 N GLN A 47 10.422 13.799 -0.361 1.00 0.00 N ATOM 716 CA GLN A 47 10.828 14.894 0.503 1.00 0.00 C ATOM 717 C GLN A 47 11.706 14.375 1.641 1.00 0.00 C ATOM 718 O GLN A 47 12.480 15.155 2.196 1.00 0.00 O ATOM 719 CB GLN A 47 9.588 15.622 1.046 1.00 0.00 C ATOM 720 CG GLN A 47 9.029 16.649 0.050 1.00 0.00 C ATOM 721 CD GLN A 47 9.978 17.828 -0.093 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.725 17.923 -1.070 1.00 0.00 O ATOM 723 NE2 GLN A 47 10.009 18.705 0.890 1.00 0.00 N ATOM 0 H GLN A 47 9.437 13.547 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 47 11.416 15.606 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.815 14.891 1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.845 16.126 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.878 16.177 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.054 16.999 0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.379 18.601 1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.663 19.487 0.855 1.00 0.00 H new ATOM 732 N SER A 48 11.611 13.092 2.011 1.00 0.00 N ATOM 733 CA SER A 48 12.421 12.536 3.083 1.00 0.00 C ATOM 734 C SER A 48 12.535 11.010 2.987 1.00 0.00 C ATOM 735 O SER A 48 13.603 10.492 2.640 1.00 0.00 O ATOM 736 CB SER A 48 11.853 13.016 4.420 1.00 0.00 C ATOM 737 OG SER A 48 12.310 14.323 4.722 1.00 0.00 O ATOM 0 H SER A 48 10.976 12.423 1.577 1.00 0.00 H new ATOM 0 HA SER A 48 13.446 12.895 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.764 13.007 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.150 12.330 5.213 1.00 0.00 H new ATOM 0 HG SER A 48 12.640 14.751 3.905 1.00 0.00 H new ATOM 743 N GLY A 49 11.482 10.256 3.304 1.00 0.00 N ATOM 744 CA GLY A 49 11.520 8.804 3.247 1.00 0.00 C ATOM 745 C GLY A 49 10.471 8.193 4.160 1.00 0.00 C ATOM 746 O GLY A 49 9.653 8.887 4.760 1.00 0.00 O ATOM 0 H GLY A 49 10.585 10.637 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.352 8.473 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.510 8.451 3.538 1.00 0.00 H new ATOM 750 N LEU A 50 10.482 6.870 4.256 1.00 0.00 N ATOM 751 CA LEU A 50 9.550 6.102 5.069 1.00 0.00 C ATOM 752 C LEU A 50 9.605 6.512 6.554 1.00 0.00 C ATOM 753 O LEU A 50 10.715 6.598 7.091 1.00 0.00 O ATOM 754 CB LEU A 50 9.956 4.637 4.908 1.00 0.00 C ATOM 755 CG LEU A 50 8.976 3.653 5.559 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.712 3.501 4.707 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.710 2.324 5.637 1.00 0.00 C ATOM 0 H LEU A 50 11.156 6.288 3.758 1.00 0.00 H new ATOM 0 HA LEU A 50 8.525 6.281 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.038 4.406 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.945 4.493 5.343 1.00 0.00 H new ATOM 0 HG LEU A 50 8.662 4.004 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.031 2.799 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.222 4.470 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.982 3.127 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.062 1.577 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.985 2.001 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.611 2.441 6.240 1.00 0.00 H new ATOM 769 N PRO A 51 8.468 6.747 7.238 1.00 0.00 N ATOM 770 CA PRO A 51 8.461 7.119 8.650 1.00 0.00 C ATOM 771 C PRO A 51 8.809 5.917 9.528 1.00 0.00 C ATOM 772 O PRO A 51 8.382 4.797 9.234 1.00 0.00 O ATOM 773 CB PRO A 51 7.030 7.551 8.975 1.00 0.00 C ATOM 774 CG PRO A 51 6.179 6.876 7.905 1.00 0.00 C ATOM 775 CD PRO A 51 7.113 6.690 6.714 1.00 0.00 C ATOM 0 HA PRO A 51 9.191 7.907 8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.736 7.233 9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.925 8.635 8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.791 5.919 8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.319 7.491 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.928 5.736 6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.952 7.470 5.969 1.00 0.00 H new ATOM 783 N ALA A 52 9.448 6.161 10.677 1.00 0.00 N ATOM 784 CA ALA A 52 9.828 5.110 11.621 1.00 0.00 C ATOM 785 C ALA A 52 8.609 4.278 12.055 1.00 0.00 C ATOM 786 O ALA A 52 8.693 3.058 12.204 1.00 0.00 O ATOM 787 CB ALA A 52 10.522 5.722 12.833 1.00 0.00 C ATOM 0 H ALA A 52 9.716 7.098 10.978 1.00 0.00 H new ATOM 0 HA ALA A 52 10.523 4.437 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.801 4.932 13.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.417 6.254 12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.845 6.419 13.327 1.00 0.00 H new ATOM 793 N LYS A 53 7.439 4.914 12.196 1.00 0.00 N ATOM 794 CA LYS A 53 6.185 4.274 12.576 1.00 0.00 C ATOM 795 C LYS A 53 5.839 3.120 11.632 1.00 0.00 C ATOM 796 O LYS A 53 5.230 2.136 12.061 1.00 0.00 O ATOM 797 CB LYS A 53 5.084 5.352 12.580 1.00 0.00 C ATOM 798 CG LYS A 53 3.700 4.734 12.735 1.00 0.00 C ATOM 799 CD LYS A 53 2.628 5.741 13.170 1.00 0.00 C ATOM 800 CE LYS A 53 1.360 4.969 13.558 1.00 0.00 C ATOM 801 NZ LYS A 53 0.381 5.788 14.298 1.00 0.00 N ATOM 0 H LYS A 53 7.342 5.918 12.043 1.00 0.00 H new ATOM 0 HA LYS A 53 6.277 3.837 13.570 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.264 6.054 13.394 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.128 5.922 11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.403 4.285 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.750 3.929 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.984 6.332 14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.413 6.439 12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.889 4.580 12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.639 4.109 14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.451 5.209 14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.815 6.139 15.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.088 6.595 13.710 1.00 0.00 H new ATOM 815 N LEU A 54 6.219 3.226 10.360 1.00 0.00 N ATOM 816 CA LEU A 54 5.963 2.234 9.325 1.00 0.00 C ATOM 817 C LEU A 54 7.271 1.689 8.728 1.00 0.00 C ATOM 818 O LEU A 54 7.294 1.356 7.546 1.00 0.00 O ATOM 819 CB LEU A 54 5.087 2.868 8.218 1.00 0.00 C ATOM 820 CG LEU A 54 3.902 3.743 8.672 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.321 4.501 7.480 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.778 2.956 9.350 1.00 0.00 C ATOM 0 H LEU A 54 6.732 4.036 10.012 1.00 0.00 H new ATOM 0 HA LEU A 54 5.437 1.392 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.732 3.476 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.694 2.064 7.596 1.00 0.00 H new ATOM 0 HG LEU A 54 4.308 4.431 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.485 5.116 7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.090 5.139 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.973 3.790 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.980 3.639 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.384 2.213 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.168 2.455 10.236 1.00 0.00 H new ATOM 834 N ARG A 55 8.315 1.484 9.541 1.00 0.00 N ATOM 835 CA ARG A 55 9.637 0.953 9.149 1.00 0.00 C ATOM 836 C ARG A 55 9.831 -0.534 9.493 1.00 0.00 C ATOM 837 O ARG A 55 10.931 -1.071 9.331 1.00 0.00 O ATOM 838 CB ARG A 55 10.767 1.826 9.730 1.00 0.00 C ATOM 839 CG ARG A 55 11.135 1.504 11.198 1.00 0.00 C ATOM 840 CD ARG A 55 12.508 0.823 11.313 1.00 0.00 C ATOM 841 NE ARG A 55 12.652 0.042 12.553 1.00 0.00 N ATOM 842 CZ ARG A 55 13.438 -1.033 12.707 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.289 -1.401 11.747 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.382 -1.723 13.839 1.00 0.00 N ATOM 0 H ARG A 55 8.264 1.692 10.538 1.00 0.00 H new ATOM 0 HA ARG A 55 9.682 1.004 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.656 1.707 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.471 2.873 9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.137 2.425 11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.372 0.856 11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.657 0.167 10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.290 1.581 11.273 1.00 0.00 H new ATOM 0 HE ARG A 55 12.109 0.344 13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.347 -0.862 10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.881 -2.221 11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.745 -1.434 14.582 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.976 -2.543 13.967 1.00 0.00 H new ATOM 858 N HIS A 56 8.795 -1.167 10.040 1.00 0.00 N ATOM 859 CA HIS A 56 8.696 -2.560 10.461 1.00 0.00 C ATOM 860 C HIS A 56 9.262 -3.538 9.411 1.00 0.00 C ATOM 861 O HIS A 56 9.406 -3.207 8.234 1.00 0.00 O ATOM 862 CB HIS A 56 7.235 -2.865 10.837 1.00 0.00 C ATOM 863 CG HIS A 56 7.128 -3.774 12.037 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.967 -5.143 12.024 1.00 0.00 N ATOM 865 CD2 HIS A 56 7.205 -3.375 13.344 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.957 -5.562 13.299 1.00 0.00 C ATOM 867 NE2 HIS A 56 7.078 -4.518 14.145 1.00 0.00 N ATOM 0 H HIS A 56 7.922 -0.669 10.215 1.00 0.00 H new ATOM 0 HA HIS A 56 9.321 -2.709 11.342 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.713 -1.931 11.045 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.733 -3.328 9.988 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.339 -2.362 13.695 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.865 -6.593 13.606 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.077 -4.554 15.164 1.00 0.00 H new ATOM 875 N GLU A 57 9.535 -4.773 9.835 1.00 0.00 N ATOM 876 CA GLU A 57 10.128 -5.846 9.033 1.00 0.00 C ATOM 877 C GLU A 57 9.480 -6.176 7.695 1.00 0.00 C ATOM 878 O GLU A 57 10.209 -6.519 6.767 1.00 0.00 O ATOM 879 CB GLU A 57 10.186 -7.135 9.851 1.00 0.00 C ATOM 880 CG GLU A 57 11.176 -7.016 11.005 1.00 0.00 C ATOM 881 CD GLU A 57 11.557 -8.378 11.577 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.702 -8.495 12.078 1.00 0.00 O ATOM 883 OE2 GLU A 57 10.739 -9.324 11.518 1.00 0.00 O ATOM 0 H GLU A 57 9.340 -5.067 10.792 1.00 0.00 H new ATOM 0 HA GLU A 57 11.108 -5.440 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.195 -7.365 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.475 -7.965 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.074 -6.504 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.741 -6.401 11.793 1.00 0.00 H new ATOM 890 N GLN A 58 8.156 -6.125 7.590 1.00 0.00 N ATOM 891 CA GLN A 58 7.408 -6.420 6.376 1.00 0.00 C ATOM 892 C GLN A 58 6.582 -5.195 6.019 1.00 0.00 C ATOM 893 O GLN A 58 5.778 -4.742 6.840 1.00 0.00 O ATOM 894 CB GLN A 58 6.458 -7.619 6.592 1.00 0.00 C ATOM 895 CG GLN A 58 7.095 -8.975 6.260 1.00 0.00 C ATOM 896 CD GLN A 58 6.112 -10.142 6.420 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.438 -11.181 6.985 1.00 0.00 O ATOM 898 NE2 GLN A 58 4.899 -10.052 5.899 1.00 0.00 N ATOM 0 H GLN A 58 7.556 -5.869 8.374 1.00 0.00 H new ATOM 0 HA GLN A 58 8.105 -6.671 5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.127 -7.627 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.570 -7.484 5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.468 -8.956 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.955 -9.137 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.610 -9.196 5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.253 -10.838 5.971 1.00 0.00 H new ATOM 907 N ILE A 59 6.780 -4.632 4.832 1.00 0.00 N ATOM 908 CA ILE A 59 6.025 -3.487 4.361 1.00 0.00 C ATOM 909 C ILE A 59 5.610 -3.799 2.913 1.00 0.00 C ATOM 910 O ILE A 59 6.148 -4.698 2.265 1.00 0.00 O ATOM 911 CB ILE A 59 6.712 -2.119 4.674 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.858 -1.212 3.439 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.977 -2.184 5.556 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.425 0.161 3.764 1.00 0.00 C ATOM 0 H ILE A 59 7.478 -4.965 4.166 1.00 0.00 H new ATOM 0 HA ILE A 59 5.101 -3.331 4.918 1.00 0.00 H new ATOM 0 HB ILE A 59 5.994 -1.622 5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.506 -1.702 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.883 -1.092 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.368 -1.178 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.726 -2.624 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.733 -2.796 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.502 0.749 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.766 0.669 4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.414 0.050 4.208 1.00 0.00 H new ATOM 926 N ILE A 60 4.574 -3.136 2.421 1.00 0.00 N ATOM 927 CA ILE A 60 4.041 -3.305 1.079 1.00 0.00 C ATOM 928 C ILE A 60 3.835 -1.898 0.522 1.00 0.00 C ATOM 929 O ILE A 60 3.755 -0.911 1.253 1.00 0.00 O ATOM 930 CB ILE A 60 2.732 -4.140 1.059 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.714 -5.332 2.041 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.432 -4.662 -0.367 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.374 -6.081 1.981 1.00 0.00 C ATOM 0 H ILE A 60 4.064 -2.441 2.966 1.00 0.00 H new ATOM 0 HA ILE A 60 4.735 -3.873 0.459 1.00 0.00 H new ATOM 0 HB ILE A 60 1.958 -3.447 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.527 -6.017 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.888 -4.973 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.510 -5.244 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.319 -3.818 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.255 -5.292 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.391 -6.915 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.565 -5.401 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.214 -6.460 0.972 1.00 0.00 H new ATOM 945 N PHE A 61 3.692 -1.811 -0.786 1.00 0.00 N ATOM 946 CA PHE A 61 3.493 -0.576 -1.511 1.00 0.00 C ATOM 947 C PHE A 61 2.364 -0.743 -2.519 1.00 0.00 C ATOM 948 O PHE A 61 2.246 -1.787 -3.168 1.00 0.00 O ATOM 949 CB PHE A 61 4.819 -0.229 -2.201 1.00 0.00 C ATOM 950 CG PHE A 61 5.804 0.484 -1.297 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.519 1.777 -0.828 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.006 -0.136 -0.920 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.440 2.454 -0.009 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.926 0.543 -0.104 1.00 0.00 C ATOM 955 CZ PHE A 61 7.652 1.843 0.345 1.00 0.00 C ATOM 0 H PHE A 61 3.712 -2.630 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 61 3.207 0.234 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.277 -1.146 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.614 0.399 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.588 2.253 -1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.224 -1.138 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.213 3.448 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.850 0.061 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.368 2.369 0.958 1.00 0.00 H new ATOM 965 N HIS A 62 1.537 0.291 -2.665 1.00 0.00 N ATOM 966 CA HIS A 62 0.416 0.355 -3.593 1.00 0.00 C ATOM 967 C HIS A 62 0.334 1.793 -4.084 1.00 0.00 C ATOM 968 O HIS A 62 0.668 2.730 -3.357 1.00 0.00 O ATOM 969 CB HIS A 62 -0.921 -0.071 -2.940 1.00 0.00 C ATOM 970 CG HIS A 62 -2.048 0.940 -3.090 1.00 0.00 C ATOM 971 ND1 HIS A 62 -2.902 1.127 -4.163 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.303 1.949 -2.204 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.659 2.205 -3.910 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.312 2.750 -2.742 1.00 0.00 N ATOM 0 H HIS A 62 1.637 1.143 -2.114 1.00 0.00 H new ATOM 0 HA HIS A 62 0.581 -0.343 -4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.239 -1.018 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.751 -0.251 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.811 2.100 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.438 2.579 -4.558 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.708 3.591 -2.323 1.00 0.00 H new ATOM 982 N CYS A 63 -0.111 1.960 -5.325 1.00 0.00 N ATOM 983 CA CYS A 63 -0.287 3.255 -5.927 1.00 0.00 C ATOM 984 C CYS A 63 -1.348 3.087 -7.003 1.00 0.00 C ATOM 985 O CYS A 63 -1.083 2.430 -8.011 1.00 0.00 O ATOM 986 CB CYS A 63 1.046 3.772 -6.467 1.00 0.00 C ATOM 987 SG CYS A 63 0.808 5.277 -7.449 1.00 0.00 S ATOM 0 H CYS A 63 -0.359 1.184 -5.939 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.618 4.006 -5.209 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.723 3.977 -5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.517 3.004 -7.080 1.00 0.00 H new ATOM 0 HG CYS A 63 1.957 5.693 -7.892 1.00 0.00 H new ATOM 1073 N THR A 69 3.096 -0.571 -9.772 1.00 0.00 N ATOM 1074 CA THR A 69 3.983 -0.264 -8.661 1.00 0.00 C ATOM 1075 C THR A 69 5.356 -0.867 -8.951 1.00 0.00 C ATOM 1076 O THR A 69 6.371 -0.190 -8.809 1.00 0.00 O ATOM 1077 CB THR A 69 3.388 -0.788 -7.337 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.977 -0.958 -7.388 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.650 0.189 -6.187 1.00 0.00 C ATOM 0 HA THR A 69 4.093 0.815 -8.552 1.00 0.00 H new ATOM 0 HB THR A 69 3.876 -1.749 -7.177 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.670 -0.866 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.219 -0.207 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.724 0.319 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.193 1.152 -6.416 1.00 0.00 H new ATOM 1087 N SER A 70 5.382 -2.112 -9.434 1.00 0.00 N ATOM 1088 CA SER A 70 6.583 -2.853 -9.775 1.00 0.00 C ATOM 1089 C SER A 70 7.463 -2.174 -10.841 1.00 0.00 C ATOM 1090 O SER A 70 8.599 -2.598 -11.046 1.00 0.00 O ATOM 1091 CB SER A 70 6.188 -4.287 -10.173 1.00 0.00 C ATOM 1092 OG SER A 70 4.902 -4.359 -10.786 1.00 0.00 O ATOM 0 H SER A 70 4.529 -2.646 -9.602 1.00 0.00 H new ATOM 0 HA SER A 70 7.217 -2.878 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.935 -4.687 -10.859 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.198 -4.921 -9.286 1.00 0.00 H new ATOM 0 HG SER A 70 4.703 -5.290 -11.020 1.00 0.00 H new ATOM 1098 N ASN A 71 6.971 -1.148 -11.541 1.00 0.00 N ATOM 1099 CA ASN A 71 7.702 -0.415 -12.572 1.00 0.00 C ATOM 1100 C ASN A 71 8.644 0.630 -11.976 1.00 0.00 C ATOM 1101 O ASN A 71 9.629 1.010 -12.607 1.00 0.00 O ATOM 1102 CB ASN A 71 6.695 0.286 -13.493 1.00 0.00 C ATOM 1103 CG ASN A 71 7.316 0.630 -14.835 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.804 1.735 -15.053 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.282 -0.310 -15.761 1.00 0.00 N ATOM 0 H ASN A 71 6.024 -0.796 -11.400 1.00 0.00 H new ATOM 0 HA ASN A 71 8.307 -1.131 -13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.830 -0.359 -13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.334 1.196 -13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.668 -0.128 -16.687 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.870 -1.219 -15.550 1.00 0.00 H new ATOM 1112 N ASN A 72 8.353 1.126 -10.767 1.00 0.00 N ATOM 1113 CA ASN A 72 9.164 2.142 -10.081 1.00 0.00 C ATOM 1114 C ASN A 72 9.419 1.767 -8.619 1.00 0.00 C ATOM 1115 O ASN A 72 9.851 2.602 -7.819 1.00 0.00 O ATOM 1116 CB ASN A 72 8.495 3.524 -10.182 1.00 0.00 C ATOM 1117 CG ASN A 72 8.050 3.942 -11.576 1.00 0.00 C ATOM 1118 OD1 ASN A 72 6.905 4.356 -11.756 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.895 3.844 -12.591 1.00 0.00 N ATOM 0 H ASN A 72 7.538 0.830 -10.230 1.00 0.00 H new ATOM 0 HA ASN A 72 10.132 2.187 -10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.626 3.535 -9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.191 4.273 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.598 4.112 -13.529 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.842 3.500 -12.434 1.00 0.00 H new ATOM 1126 N ALA A 73 9.119 0.526 -8.243 1.00 0.00 N ATOM 1127 CA ALA A 73 9.298 0.009 -6.901 1.00 0.00 C ATOM 1128 C ALA A 73 10.770 -0.060 -6.503 1.00 0.00 C ATOM 1129 O ALA A 73 11.050 -0.107 -5.312 1.00 0.00 O ATOM 1130 CB ALA A 73 8.642 -1.362 -6.796 1.00 0.00 C ATOM 0 H ALA A 73 8.733 -0.163 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 73 8.819 0.697 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.775 -1.753 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.577 -1.274 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.103 -2.042 -7.512 1.00 0.00 H new ATOM 1136 N ASP A 74 11.712 -0.015 -7.450 1.00 0.00 N ATOM 1137 CA ASP A 74 13.152 -0.053 -7.165 1.00 0.00 C ATOM 1138 C ASP A 74 13.515 1.061 -6.178 1.00 0.00 C ATOM 1139 O ASP A 74 14.287 0.833 -5.242 1.00 0.00 O ATOM 1140 CB ASP A 74 13.966 0.089 -8.460 1.00 0.00 C ATOM 1141 CG ASP A 74 14.188 -1.260 -9.132 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.094 -2.005 -8.698 1.00 0.00 O ATOM 1143 OD2 ASP A 74 13.434 -1.620 -10.068 1.00 0.00 O ATOM 0 H ASP A 74 11.496 0.049 -8.445 1.00 0.00 H new ATOM 0 HA ASP A 74 13.396 -1.017 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.446 0.757 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.929 0.548 -8.237 1.00 0.00 H new ATOM 1148 N LYS A 75 12.931 2.252 -6.371 1.00 0.00 N ATOM 1149 CA LYS A 75 13.135 3.415 -5.516 1.00 0.00 C ATOM 1150 C LYS A 75 12.515 3.139 -4.148 1.00 0.00 C ATOM 1151 O LYS A 75 13.145 3.351 -3.117 1.00 0.00 O ATOM 1152 CB LYS A 75 12.477 4.664 -6.159 1.00 0.00 C ATOM 1153 CG LYS A 75 13.456 5.789 -6.516 1.00 0.00 C ATOM 1154 CD LYS A 75 14.195 6.330 -5.286 1.00 0.00 C ATOM 1155 CE LYS A 75 15.037 7.554 -5.656 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.917 7.961 -4.545 1.00 0.00 N ATOM 0 H LYS A 75 12.291 2.431 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 75 14.202 3.606 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.952 4.357 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.727 5.057 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.182 5.419 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.912 6.602 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.476 6.598 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.837 5.553 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.640 7.329 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.380 8.382 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.473 8.793 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.339 8.199 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.560 7.179 -4.307 1.00 0.00 H new ATOM 1170 N LEU A 76 11.262 2.671 -4.145 1.00 0.00 N ATOM 1171 CA LEU A 76 10.496 2.363 -2.936 1.00 0.00 C ATOM 1172 C LEU A 76 11.216 1.352 -2.046 1.00 0.00 C ATOM 1173 O LEU A 76 11.185 1.488 -0.824 1.00 0.00 O ATOM 1174 CB LEU A 76 9.094 1.841 -3.284 1.00 0.00 C ATOM 1175 CG LEU A 76 8.258 2.772 -4.171 1.00 0.00 C ATOM 1176 CD1 LEU A 76 6.922 2.095 -4.494 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.009 4.130 -3.501 1.00 0.00 C ATOM 0 H LEU A 76 10.742 2.492 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 76 10.399 3.297 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.195 0.879 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.549 1.661 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 76 8.816 2.959 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.324 2.753 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.107 1.158 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.384 1.892 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.413 4.759 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.473 3.980 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.963 4.617 -3.300 1.00 0.00 H new ATOM 1189 N ALA A 77 11.856 0.353 -2.653 1.00 0.00 N ATOM 1190 CA ALA A 77 12.600 -0.679 -1.957 1.00 0.00 C ATOM 1191 C ALA A 77 13.716 -0.004 -1.158 1.00 0.00 C ATOM 1192 O ALA A 77 13.727 -0.108 0.062 1.00 0.00 O ATOM 1193 CB ALA A 77 13.149 -1.714 -2.928 1.00 0.00 C ATOM 0 H ALA A 77 11.868 0.242 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 77 11.941 -1.219 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.702 -2.474 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.324 -2.183 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.815 -1.227 -3.640 1.00 0.00 H new ATOM 1199 N ALA A 78 14.611 0.744 -1.816 1.00 0.00 N ATOM 1200 CA ALA A 78 15.722 1.443 -1.164 1.00 0.00 C ATOM 1201 C ALA A 78 15.238 2.424 -0.089 1.00 0.00 C ATOM 1202 O ALA A 78 15.896 2.618 0.939 1.00 0.00 O ATOM 1203 CB ALA A 78 16.554 2.180 -2.218 1.00 0.00 C ATOM 0 H ALA A 78 14.582 0.881 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 78 16.337 0.696 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.380 2.699 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.950 1.462 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.925 2.904 -2.737 1.00 0.00 H new ATOM 1209 N ILE A 79 14.081 3.041 -0.317 1.00 0.00 N ATOM 1210 CA ILE A 79 13.455 3.988 0.591 1.00 0.00 C ATOM 1211 C ILE A 79 13.035 3.302 1.897 1.00 0.00 C ATOM 1212 O ILE A 79 13.052 3.960 2.941 1.00 0.00 O ATOM 1213 CB ILE A 79 12.279 4.665 -0.155 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.832 5.871 -0.940 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.098 5.068 0.739 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.798 6.567 -1.828 1.00 0.00 C ATOM 0 H ILE A 79 13.539 2.888 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 79 14.161 4.763 0.890 1.00 0.00 H new ATOM 0 HB ILE A 79 11.854 3.924 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.235 6.596 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.662 5.536 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.323 5.534 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.692 4.182 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.439 5.775 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.267 7.404 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.411 5.858 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.978 6.935 -1.212 1.00 0.00 H new ATOM 1228 N ALA A 80 12.730 2.001 1.882 1.00 0.00 N ATOM 1229 CA ALA A 80 12.283 1.272 3.060 1.00 0.00 C ATOM 1230 C ALA A 80 13.223 0.182 3.583 1.00 0.00 C ATOM 1231 O ALA A 80 13.087 -0.219 4.740 1.00 0.00 O ATOM 1232 CB ALA A 80 10.944 0.674 2.668 1.00 0.00 C ATOM 0 H ALA A 80 12.789 1.425 1.042 1.00 0.00 H new ATOM 0 HA ALA A 80 12.238 1.969 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.540 0.106 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.252 1.473 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.078 0.012 1.812 1.00 0.00 H new ATOM 1238 N ALA A 81 14.153 -0.308 2.767 1.00 0.00 N ATOM 1239 CA ALA A 81 15.095 -1.340 3.167 1.00 0.00 C ATOM 1240 C ALA A 81 16.077 -0.751 4.197 1.00 0.00 C ATOM 1241 O ALA A 81 16.462 0.414 4.050 1.00 0.00 O ATOM 1242 CB ALA A 81 15.837 -1.854 1.931 1.00 0.00 C ATOM 0 H ALA A 81 14.272 0.005 1.803 1.00 0.00 H new ATOM 0 HA ALA A 81 14.570 -2.178 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.545 -2.628 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.120 -2.269 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.376 -1.031 1.461 1.00 0.00 H new ATOM 1248 N PRO A 82 16.581 -1.536 5.171 1.00 0.00 N ATOM 1249 CA PRO A 82 16.308 -2.941 5.406 1.00 0.00 C ATOM 1250 C PRO A 82 14.931 -3.179 6.015 1.00 0.00 C ATOM 1251 O PRO A 82 14.580 -2.669 7.080 1.00 0.00 O ATOM 1252 CB PRO A 82 17.406 -3.431 6.347 1.00 0.00 C ATOM 1253 CG PRO A 82 17.742 -2.183 7.151 1.00 0.00 C ATOM 1254 CD PRO A 82 17.573 -1.072 6.118 1.00 0.00 C ATOM 0 HA PRO A 82 16.304 -3.485 4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.059 -4.243 6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.271 -3.805 5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.071 -2.054 8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.756 -2.217 7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.251 -0.146 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.518 -0.861 5.617 1.00 0.00 H new ATOM 1262 N ALA A 83 14.167 -3.962 5.274 1.00 0.00 N ATOM 1263 CA ALA A 83 12.819 -4.464 5.467 1.00 0.00 C ATOM 1264 C ALA A 83 12.461 -5.225 4.191 1.00 0.00 C ATOM 1265 O ALA A 83 13.087 -5.043 3.140 1.00 0.00 O ATOM 1266 CB ALA A 83 11.805 -3.349 5.727 1.00 0.00 C ATOM 0 H ALA A 83 14.537 -4.311 4.390 1.00 0.00 H new ATOM 0 HA ALA A 83 12.784 -5.102 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.814 -3.783 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.089 -2.801 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.788 -2.667 4.877 1.00 0.00 H new ATOM 1272 N GLU A 84 11.451 -6.073 4.285 1.00 0.00 N ATOM 1273 CA GLU A 84 10.937 -6.898 3.207 1.00 0.00 C ATOM 1274 C GLU A 84 9.801 -6.122 2.563 1.00 0.00 C ATOM 1275 O GLU A 84 8.749 -5.946 3.179 1.00 0.00 O ATOM 1276 CB GLU A 84 10.482 -8.262 3.746 1.00 0.00 C ATOM 1277 CG GLU A 84 11.579 -9.010 4.507 1.00 0.00 C ATOM 1278 CD GLU A 84 12.905 -9.015 3.757 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.017 -9.702 2.720 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.829 -8.260 4.129 1.00 0.00 O ATOM 0 H GLU A 84 10.943 -6.211 5.159 1.00 0.00 H new ATOM 0 HA GLU A 84 11.704 -7.110 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.626 -8.117 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.142 -8.878 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.719 -8.548 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.260 -10.037 4.683 1.00 0.00 H new ATOM 1287 N ILE A 85 10.050 -5.602 1.363 1.00 0.00 N ATOM 1288 CA ILE A 85 9.103 -4.816 0.591 1.00 0.00 C ATOM 1289 C ILE A 85 8.474 -5.702 -0.473 1.00 0.00 C ATOM 1290 O ILE A 85 9.155 -6.575 -1.011 1.00 0.00 O ATOM 1291 CB ILE A 85 9.846 -3.573 0.038 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.687 -2.391 0.998 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.357 -3.122 -1.347 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.011 -2.701 2.465 1.00 0.00 C ATOM 0 H ILE A 85 10.946 -5.723 0.890 1.00 0.00 H new ATOM 0 HA ILE A 85 8.276 -4.445 1.196 1.00 0.00 H new ATOM 0 HB ILE A 85 10.888 -3.878 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.333 -1.580 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.661 -2.028 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.924 -2.248 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.501 -3.930 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.298 -2.868 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.869 -1.803 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.348 -3.488 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.046 -3.033 2.547 1.00 0.00 H new ATOM 1306 N PHE A 86 7.200 -5.428 -0.784 1.00 0.00 N ATOM 1307 CA PHE A 86 6.389 -6.126 -1.771 1.00 0.00 C ATOM 1308 C PHE A 86 5.364 -5.183 -2.394 1.00 0.00 C ATOM 1309 O PHE A 86 5.210 -4.043 -1.947 1.00 0.00 O ATOM 1310 CB PHE A 86 5.651 -7.292 -1.087 1.00 0.00 C ATOM 1311 CG PHE A 86 6.509 -8.225 -0.260 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.777 -7.927 1.089 1.00 0.00 C ATOM 1313 CD2 PHE A 86 7.065 -9.374 -0.842 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.607 -8.765 1.846 1.00 0.00 C ATOM 1315 CE2 PHE A 86 7.917 -10.199 -0.094 1.00 0.00 C ATOM 1316 CZ PHE A 86 8.181 -9.902 1.253 1.00 0.00 C ATOM 0 H PHE A 86 6.688 -4.674 -0.326 1.00 0.00 H new ATOM 0 HA PHE A 86 7.043 -6.501 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.875 -6.877 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.148 -7.878 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.341 -7.049 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.836 -9.623 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.805 -8.537 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.371 -11.064 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.825 -10.547 1.833 1.00 0.00 H new ATOM 1326 N LEU A 87 4.634 -5.671 -3.402 1.00 0.00 N ATOM 1327 CA LEU A 87 3.609 -4.937 -4.133 1.00 0.00 C ATOM 1328 C LEU A 87 2.314 -5.738 -4.110 1.00 0.00 C ATOM 1329 O LEU A 87 2.303 -6.878 -4.570 1.00 0.00 O ATOM 1330 CB LEU A 87 4.011 -4.729 -5.603 1.00 0.00 C ATOM 1331 CG LEU A 87 5.202 -3.816 -5.926 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.326 -2.593 -5.014 1.00 0.00 C ATOM 1333 CD2 LEU A 87 6.537 -4.540 -5.990 1.00 0.00 C ATOM 0 H LEU A 87 4.749 -6.626 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 87 3.485 -3.965 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.223 -5.710 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.142 -4.335 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 87 4.962 -3.459 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.193 -2.003 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.426 -1.984 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.447 -2.920 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.327 -3.826 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.743 -5.009 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.499 -5.305 -6.765 1.00 0.00 H new ATOM 1345 N LEU A 88 1.242 -5.167 -3.559 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.057 -5.823 -3.489 1.00 0.00 C ATOM 1347 C LEU A 88 -0.736 -5.819 -4.863 1.00 0.00 C ATOM 1348 O LEU A 88 -1.455 -4.882 -5.202 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.921 -5.158 -2.407 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.270 -5.861 -2.175 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.130 -7.369 -1.946 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.943 -5.229 -0.948 1.00 0.00 C ATOM 0 H LEU A 88 1.254 -4.233 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 88 0.077 -6.867 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.364 -5.140 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.105 -4.121 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.869 -5.730 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.116 -7.806 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.665 -7.828 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.510 -7.548 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.902 -5.715 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.302 -5.356 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.104 -4.166 -1.128 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.539 -6.889 -5.632 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.074 -7.130 -6.969 1.00 0.00 C ATOM 1366 C GLU A 89 -0.863 -5.906 -7.874 1.00 0.00 C ATOM 1367 O GLU A 89 0.248 -5.706 -8.380 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.529 -7.627 -6.830 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.222 -8.098 -8.120 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.657 -9.402 -8.671 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -1.446 -9.428 -9.001 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -3.413 -10.386 -8.794 1.00 0.00 O ATOM 0 H GLU A 89 0.041 -7.665 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.531 -7.922 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.541 -8.451 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.124 -6.822 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.287 -8.226 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.128 -7.321 -8.879 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.900 -5.096 -8.113 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.803 -3.897 -8.936 1.00 0.00 C ATOM 1381 C ASP A 90 -2.375 -2.708 -8.185 1.00 0.00 C ATOM 1382 O ASP A 90 -3.373 -2.083 -8.556 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.296 -4.086 -10.375 1.00 0.00 C ATOM 1384 CG ASP A 90 -1.715 -3.031 -11.330 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -0.720 -2.345 -10.977 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.226 -2.962 -12.474 1.00 0.00 O ATOM 0 H ASP A 90 -2.834 -5.259 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.749 -3.673 -9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.020 -5.081 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.384 -4.032 -10.395 1.00 0.00 H new ATOM 1391 N GLY A 91 -1.688 -2.389 -7.090 1.00 0.00 N ATOM 1392 CA GLY A 91 -2.034 -1.307 -6.209 1.00 0.00 C ATOM 1393 C GLY A 91 -3.268 -1.711 -5.420 1.00 0.00 C ATOM 1394 O GLY A 91 -3.179 -2.560 -4.538 1.00 0.00 O ATOM 0 H GLY A 91 -0.855 -2.898 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.207 -1.087 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.229 -0.399 -6.780 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.413 -1.085 -5.696 1.00 0.00 N ATOM 1399 CA ILE A 92 -5.661 -1.404 -5.000 1.00 0.00 C ATOM 1400 C ILE A 92 -6.498 -2.406 -5.789 1.00 0.00 C ATOM 1401 O ILE A 92 -7.460 -2.976 -5.267 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.440 -0.144 -4.592 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.614 -0.572 -3.697 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.962 0.709 -5.752 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.134 0.555 -2.838 1.00 0.00 C ATOM 0 H ILE A 92 -4.502 -0.352 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.399 -1.895 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.731 0.498 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.423 -0.950 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.296 -1.394 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.497 1.573 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.124 1.048 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.638 0.114 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.962 0.195 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.336 0.917 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.480 1.368 -3.476 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.129 -2.663 -7.045 1.00 0.00 N ATOM 1418 CA ASP A 93 -6.884 -3.603 -7.855 1.00 0.00 C ATOM 1419 C ASP A 93 -6.885 -4.987 -7.191 1.00 0.00 C ATOM 1420 O ASP A 93 -7.806 -5.764 -7.404 1.00 0.00 O ATOM 1421 CB ASP A 93 -6.359 -3.607 -9.294 1.00 0.00 C ATOM 1422 CG ASP A 93 -7.471 -4.013 -10.257 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.320 -3.148 -10.576 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -7.518 -5.181 -10.696 1.00 0.00 O ATOM 0 H ASP A 93 -5.327 -2.239 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.927 -3.292 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.984 -2.617 -9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.521 -4.298 -9.382 1.00 0.00 H new ATOM 1429 N GLY A 94 -5.890 -5.298 -6.348 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.775 -6.562 -5.632 1.00 0.00 C ATOM 1431 C GLY A 94 -6.863 -6.716 -4.574 1.00 0.00 C ATOM 1432 O GLY A 94 -7.600 -7.699 -4.602 1.00 0.00 O ATOM 0 H GLY A 94 -5.125 -4.654 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.838 -7.388 -6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.796 -6.623 -5.157 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.006 -5.735 -3.676 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.000 -5.773 -2.608 1.00 0.00 C ATOM 1438 C TRP A 95 -9.381 -6.037 -3.218 1.00 0.00 C ATOM 1439 O TRP A 95 -10.119 -6.940 -2.809 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.023 -4.475 -1.812 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.905 -4.550 -0.597 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.920 -3.704 -0.331 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.893 -5.516 0.508 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.471 -4.010 0.893 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.872 -5.109 1.464 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.106 -6.645 0.845 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.067 -5.778 2.682 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.261 -7.292 2.088 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.249 -6.875 2.998 1.00 0.00 C ATOM 0 H TRP A 95 -6.432 -4.892 -3.673 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.733 -6.574 -1.919 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.008 -4.226 -1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.368 -3.666 -2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.251 -2.907 -0.980 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.232 -3.485 1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.377 -7.015 0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.836 -5.454 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.614 -8.117 2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.378 -7.396 3.935 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.716 -5.233 -4.236 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.987 -5.334 -4.934 1.00 0.00 C ATOM 1462 C LYS A 96 -11.109 -6.678 -5.648 1.00 0.00 C ATOM 1463 O LYS A 96 -12.184 -7.271 -5.590 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.148 -4.161 -5.911 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.628 -3.993 -6.277 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.833 -2.926 -7.358 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.327 -2.788 -7.668 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.066 -2.139 -6.564 1.00 0.00 N ATOM 0 H LYS A 96 -9.107 -4.496 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.794 -5.279 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.769 -3.244 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.559 -4.341 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.025 -4.946 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.193 -3.720 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.432 -1.970 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.288 -3.200 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.455 -2.206 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.750 -3.775 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.031 -1.912 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.110 -2.784 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.578 -1.264 -6.287 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.030 -7.187 -6.258 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.005 -8.463 -6.972 1.00 0.00 C ATOM 1484 C LYS A 97 -10.447 -9.623 -6.094 1.00 0.00 C ATOM 1485 O LYS A 97 -11.076 -10.541 -6.624 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.630 -8.679 -7.633 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.380 -10.047 -8.282 1.00 0.00 C ATOM 1488 CD LYS A 97 -7.005 -10.040 -8.962 1.00 0.00 C ATOM 1489 CE LYS A 97 -6.687 -11.398 -9.585 1.00 0.00 C ATOM 1490 NZ LYS A 97 -5.418 -11.367 -10.335 1.00 0.00 N ATOM 0 H LYS A 97 -9.130 -6.708 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.742 -8.424 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.496 -7.912 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.861 -8.516 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.422 -10.833 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.159 -10.264 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.982 -9.270 -9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.237 -9.784 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.629 -12.154 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.497 -11.692 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.104 -12.340 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.559 -10.865 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.695 -10.874 -9.773 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.159 -9.611 -4.789 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.583 -10.688 -3.904 1.00 0.00 C ATOM 1506 C ALA A 98 -12.081 -10.553 -3.562 1.00 0.00 C ATOM 1507 O ALA A 98 -12.691 -11.499 -3.059 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.678 -10.701 -2.674 1.00 0.00 C ATOM 0 H ALA A 98 -9.635 -8.867 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.480 -11.653 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.986 -11.504 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.646 -10.863 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.755 -9.746 -2.155 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.688 -9.394 -3.847 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.094 -9.079 -3.631 1.00 0.00 C ATOM 1516 C GLY A 99 -14.385 -8.260 -2.375 1.00 0.00 C ATOM 1517 O GLY A 99 -15.559 -8.123 -2.034 1.00 0.00 O ATOM 0 H GLY A 99 -12.177 -8.612 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.466 -8.532 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.656 -10.011 -3.577 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.386 -7.677 -1.701 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.622 -6.929 -0.459 1.00 0.00 C ATOM 1523 C LEU A 100 -13.728 -5.411 -0.621 1.00 0.00 C ATOM 1524 O LEU A 100 -13.070 -4.838 -1.492 1.00 0.00 O ATOM 1525 CB LEU A 100 -12.459 -7.168 0.512 1.00 0.00 C ATOM 1526 CG LEU A 100 -12.121 -8.651 0.746 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.723 -8.939 0.221 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.214 -9.006 2.232 1.00 0.00 C ATOM 0 H LEU A 100 -12.409 -7.708 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.582 -7.299 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.573 -6.662 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.701 -6.707 1.470 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.844 -9.265 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.482 -9.989 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.683 -8.721 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.001 -8.314 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.971 -10.059 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.511 -8.394 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.227 -8.818 2.588 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.487 -4.733 0.264 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.630 -3.288 0.237 1.00 0.00 C ATOM 1542 C PRO A 101 -13.501 -2.637 1.044 1.00 0.00 C ATOM 1543 O PRO A 101 -12.966 -3.208 2.001 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.975 -3.017 0.913 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.987 -4.077 2.007 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.324 -5.282 1.328 1.00 0.00 C ATOM 0 HA PRO A 101 -14.585 -2.885 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.033 -2.007 1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.811 -3.131 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.432 -3.754 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.001 -4.306 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.727 -5.851 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.073 -5.963 0.924 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.127 -1.427 0.654 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.116 -0.590 1.256 1.00 0.00 C ATOM 1556 C VAL A 102 -12.714 0.134 2.470 1.00 0.00 C ATOM 1557 O VAL A 102 -13.928 0.082 2.710 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.696 0.418 0.167 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.880 -0.280 -0.919 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.883 1.080 -0.551 1.00 0.00 C ATOM 0 H VAL A 102 -13.559 -0.977 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.257 -1.163 1.605 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.124 1.180 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.591 0.445 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.985 -0.718 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.480 -1.066 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.511 1.776 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.489 0.314 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.492 1.620 0.174 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.875 0.844 3.228 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.327 1.603 4.383 1.00 0.00 C ATOM 1572 C ALA A 103 -12.909 2.934 3.887 1.00 0.00 C ATOM 1573 O ALA A 103 -12.220 3.954 3.859 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.182 1.818 5.376 1.00 0.00 C ATOM 0 H ALA A 103 -10.872 0.905 3.055 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.100 1.050 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.544 2.388 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.809 0.852 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.376 2.367 4.889 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.150 2.917 3.405 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.850 4.107 2.925 1.00 0.00 C ATOM 1582 C VAL A 104 -15.528 4.780 4.119 1.00 0.00 C ATOM 1583 O VAL A 104 -15.708 4.158 5.173 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.902 3.745 1.845 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.262 3.754 0.456 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.608 2.400 2.074 1.00 0.00 C ATOM 0 H VAL A 104 -14.706 2.064 3.336 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.132 4.785 2.464 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.672 4.513 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.012 3.498 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.863 4.746 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.453 3.024 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.327 2.225 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.870 1.598 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.129 2.421 3.031 1.00 0.00 H new ATOM 1596 N ASN A 105 -15.896 6.056 3.975 1.00 0.00 N ATOM 1597 CA ASN A 105 -16.585 6.784 5.040 1.00 0.00 C ATOM 1598 C ASN A 105 -17.944 6.116 5.260 1.00 0.00 C ATOM 1599 O ASN A 105 -18.328 5.844 6.395 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.765 8.262 4.667 1.00 0.00 C ATOM 1601 CG ASN A 105 -17.860 8.923 5.495 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -18.965 9.138 5.012 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.624 9.231 6.756 1.00 0.00 N ATOM 0 H ASN A 105 -15.728 6.604 3.132 1.00 0.00 H new ATOM 0 HA ASN A 105 -15.994 6.752 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.825 8.792 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.011 8.343 3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.361 9.647 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.705 9.053 7.161 1.00 0.00 H new