USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 843 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.18) USER MOD Set 2.2: A 74 THR OG1 : rot -58:sc= 0.0678 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0443 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.091) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -73:sc= 0.535 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0443 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 28 CYS SG : rot 58:sc= -1.17 USER MOD Single : A 32 SER OG : rot -69:sc= -1.91 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -126:sc= -1.73 (180deg=-3.7!) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.142 USER MOD Single : A 49 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 63:sc= 0.0411 USER MOD Single : A 64 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.9) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.0807 (180deg=-0.502) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.39) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -3.84! C(o=-3.8!,f=-3.4!) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.2 F(o=-2.9!,f=-1.2) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.318 F(o=-1.4,f=-0.32) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.331 -42.151 -33.005 1.00 0.00 N ATOM 2 CA GLY A 1 -2.534 -41.227 -33.791 1.00 0.00 C ATOM 3 C GLY A 1 -2.585 -39.812 -33.250 1.00 0.00 C ATOM 4 O GLY A 1 -3.538 -39.435 -32.568 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.703 -42.810 -32.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.899 -41.619 -32.315 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.963 -42.686 -33.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.499 -41.569 -33.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.889 -41.232 -34.822 1.00 0.00 H new ATOM 8 N SER A 2 -1.556 -39.027 -33.552 1.00 0.00 N ATOM 9 CA SER A 2 -1.485 -37.647 -33.086 1.00 0.00 C ATOM 10 C SER A 2 -0.507 -36.838 -33.933 1.00 0.00 C ATOM 11 O SER A 2 0.328 -37.398 -34.643 1.00 0.00 O ATOM 12 CB SER A 2 -1.061 -37.604 -31.616 1.00 0.00 C ATOM 13 OG SER A 2 0.137 -38.333 -31.410 1.00 0.00 O ATOM 0 H SER A 2 -0.760 -39.323 -34.117 1.00 0.00 H new ATOM 0 HA SER A 2 -2.476 -37.204 -33.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.919 -36.569 -31.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.854 -38.018 -30.993 1.00 0.00 H new ATOM 0 HG SER A 2 0.388 -38.289 -30.464 1.00 0.00 H new ATOM 19 N SER A 3 -0.618 -35.516 -33.852 1.00 0.00 N ATOM 20 CA SER A 3 0.253 -34.628 -34.613 1.00 0.00 C ATOM 21 C SER A 3 0.022 -33.172 -34.219 1.00 0.00 C ATOM 22 O SER A 3 -1.063 -32.803 -33.771 1.00 0.00 O ATOM 23 CB SER A 3 0.013 -34.806 -36.113 1.00 0.00 C ATOM 24 OG SER A 3 0.853 -35.814 -36.648 1.00 0.00 O ATOM 0 H SER A 3 -1.302 -35.036 -33.267 1.00 0.00 H new ATOM 0 HA SER A 3 1.286 -34.889 -34.384 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.031 -35.067 -36.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.197 -33.863 -36.628 1.00 0.00 H new ATOM 0 HG SER A 3 0.837 -36.598 -36.061 1.00 0.00 H new ATOM 30 N GLY A 4 1.052 -32.349 -34.390 1.00 0.00 N ATOM 31 CA GLY A 4 0.942 -30.943 -34.048 1.00 0.00 C ATOM 32 C GLY A 4 2.114 -30.128 -34.560 1.00 0.00 C ATOM 33 O GLY A 4 3.182 -30.673 -34.841 1.00 0.00 O ATOM 0 H GLY A 4 1.960 -32.631 -34.759 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.017 -30.543 -34.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.877 -30.840 -32.965 1.00 0.00 H new ATOM 37 N SER A 5 1.915 -28.820 -34.683 1.00 0.00 N ATOM 38 CA SER A 5 2.962 -27.930 -35.170 1.00 0.00 C ATOM 39 C SER A 5 3.039 -26.665 -34.319 1.00 0.00 C ATOM 40 O SER A 5 2.019 -26.053 -34.004 1.00 0.00 O ATOM 41 CB SER A 5 2.707 -27.559 -36.632 1.00 0.00 C ATOM 42 OG SER A 5 3.845 -26.940 -37.207 1.00 0.00 O ATOM 0 H SER A 5 1.038 -28.353 -34.452 1.00 0.00 H new ATOM 0 HA SER A 5 3.914 -28.456 -35.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.451 -28.454 -37.198 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.852 -26.886 -36.696 1.00 0.00 H new ATOM 0 HG SER A 5 3.657 -26.714 -38.142 1.00 0.00 H new ATOM 48 N SER A 6 4.257 -26.281 -33.952 1.00 0.00 N ATOM 49 CA SER A 6 4.469 -25.091 -33.134 1.00 0.00 C ATOM 50 C SER A 6 4.246 -23.823 -33.952 1.00 0.00 C ATOM 51 O SER A 6 4.452 -23.809 -35.165 1.00 0.00 O ATOM 52 CB SER A 6 5.883 -25.093 -32.550 1.00 0.00 C ATOM 53 OG SER A 6 6.856 -25.224 -33.572 1.00 0.00 O ATOM 0 H SER A 6 5.112 -26.775 -34.207 1.00 0.00 H new ATOM 0 HA SER A 6 3.747 -25.108 -32.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.053 -24.169 -31.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.985 -25.913 -31.839 1.00 0.00 H new ATOM 0 HG SER A 6 7.751 -25.221 -33.174 1.00 0.00 H new ATOM 59 N GLY A 7 3.823 -22.758 -33.278 1.00 0.00 N ATOM 60 CA GLY A 7 3.578 -21.499 -33.958 1.00 0.00 C ATOM 61 C GLY A 7 4.140 -20.313 -33.199 1.00 0.00 C ATOM 62 O GLY A 7 4.696 -20.469 -32.113 1.00 0.00 O ATOM 0 H GLY A 7 3.646 -22.744 -32.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.022 -21.534 -34.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.505 -21.365 -34.093 1.00 0.00 H new ATOM 66 N MET A 8 3.995 -19.123 -33.774 1.00 0.00 N ATOM 67 CA MET A 8 4.493 -17.905 -33.144 1.00 0.00 C ATOM 68 C MET A 8 3.694 -16.690 -33.605 1.00 0.00 C ATOM 69 O MET A 8 3.609 -16.409 -34.801 1.00 0.00 O ATOM 70 CB MET A 8 5.975 -17.708 -33.466 1.00 0.00 C ATOM 71 CG MET A 8 6.860 -18.841 -32.972 1.00 0.00 C ATOM 72 SD MET A 8 8.574 -18.665 -33.502 1.00 0.00 S ATOM 73 CE MET A 8 9.328 -18.031 -32.006 1.00 0.00 C ATOM 0 H MET A 8 3.537 -18.976 -34.674 1.00 0.00 H new ATOM 0 HA MET A 8 4.374 -18.008 -32.065 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.094 -17.609 -34.545 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.314 -16.773 -33.021 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.822 -18.878 -31.883 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.467 -19.790 -33.337 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.393 -17.870 -32.175 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.857 -17.087 -31.733 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.194 -18.750 -31.198 1.00 0.00 H new ATOM 83 N ASP A 9 3.112 -15.973 -32.650 1.00 0.00 N ATOM 84 CA ASP A 9 2.321 -14.788 -32.958 1.00 0.00 C ATOM 85 C ASP A 9 2.028 -13.986 -31.694 1.00 0.00 C ATOM 86 O ASP A 9 2.176 -14.488 -30.580 1.00 0.00 O ATOM 87 CB ASP A 9 1.011 -15.185 -33.640 1.00 0.00 C ATOM 88 CG ASP A 9 1.151 -15.292 -35.146 1.00 0.00 C ATOM 89 OD1 ASP A 9 1.393 -14.253 -35.794 1.00 0.00 O ATOM 90 OD2 ASP A 9 1.016 -16.415 -35.676 1.00 0.00 O ATOM 0 H ASP A 9 3.173 -16.192 -31.656 1.00 0.00 H new ATOM 0 HA ASP A 9 2.900 -14.163 -33.638 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.672 -16.141 -33.241 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.243 -14.450 -33.401 1.00 0.00 H new ATOM 95 N ALA A 10 1.614 -12.736 -31.874 1.00 0.00 N ATOM 96 CA ALA A 10 1.300 -11.865 -30.749 1.00 0.00 C ATOM 97 C ALA A 10 2.553 -11.534 -29.945 1.00 0.00 C ATOM 98 O ALA A 10 2.527 -11.524 -28.714 1.00 0.00 O ATOM 99 CB ALA A 10 0.253 -12.514 -29.855 1.00 0.00 C ATOM 0 H ALA A 10 1.488 -12.304 -32.789 1.00 0.00 H new ATOM 0 HA ALA A 10 0.897 -10.933 -31.144 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.028 -11.852 -29.019 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.655 -12.694 -30.430 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.636 -13.461 -29.475 1.00 0.00 H new ATOM 105 N ILE A 11 3.647 -11.265 -30.648 1.00 0.00 N ATOM 106 CA ILE A 11 4.909 -10.933 -29.998 1.00 0.00 C ATOM 107 C ILE A 11 5.084 -9.423 -29.875 1.00 0.00 C ATOM 108 O ILE A 11 6.109 -8.870 -30.276 1.00 0.00 O ATOM 109 CB ILE A 11 6.109 -11.516 -30.769 1.00 0.00 C ATOM 110 CG1 ILE A 11 5.884 -13.001 -31.059 1.00 0.00 C ATOM 111 CG2 ILE A 11 7.394 -11.313 -29.979 1.00 0.00 C ATOM 112 CD1 ILE A 11 5.165 -13.259 -32.365 1.00 0.00 C ATOM 0 H ILE A 11 3.686 -11.270 -31.667 1.00 0.00 H new ATOM 0 HA ILE A 11 4.877 -11.375 -29.002 1.00 0.00 H new ATOM 0 HB ILE A 11 6.202 -10.990 -31.719 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.848 -13.509 -31.078 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.308 -13.439 -30.244 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.233 -11.730 -30.536 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.558 -10.247 -29.819 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.312 -11.816 -29.016 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.040 -14.333 -32.505 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.186 -12.779 -32.343 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.750 -12.851 -33.189 1.00 0.00 H new ATOM 124 N LEU A 12 4.077 -8.761 -29.315 1.00 0.00 N ATOM 125 CA LEU A 12 4.119 -7.314 -29.136 1.00 0.00 C ATOM 126 C LEU A 12 3.519 -6.914 -27.792 1.00 0.00 C ATOM 127 O LEU A 12 2.453 -7.393 -27.410 1.00 0.00 O ATOM 128 CB LEU A 12 3.367 -6.617 -30.271 1.00 0.00 C ATOM 129 CG LEU A 12 4.194 -6.263 -31.507 1.00 0.00 C ATOM 130 CD1 LEU A 12 3.285 -5.926 -32.679 1.00 0.00 C ATOM 131 CD2 LEU A 12 5.132 -5.103 -31.206 1.00 0.00 C ATOM 0 H LEU A 12 3.222 -9.203 -28.977 1.00 0.00 H new ATOM 0 HA LEU A 12 5.163 -7.001 -29.155 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.543 -7.259 -30.582 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.926 -5.700 -29.879 1.00 0.00 H new ATOM 0 HG LEU A 12 4.796 -7.130 -31.779 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.891 -5.677 -33.550 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.655 -6.785 -32.910 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.656 -5.074 -32.419 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.713 -4.864 -32.097 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.549 -4.231 -30.909 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.807 -5.381 -30.397 1.00 0.00 H new ATOM 143 N ASN A 13 4.211 -6.030 -27.080 1.00 0.00 N ATOM 144 CA ASN A 13 3.746 -5.564 -25.779 1.00 0.00 C ATOM 145 C ASN A 13 4.168 -4.118 -25.536 1.00 0.00 C ATOM 146 O ASN A 13 5.357 -3.818 -25.428 1.00 0.00 O ATOM 147 CB ASN A 13 4.293 -6.461 -24.667 1.00 0.00 C ATOM 148 CG ASN A 13 3.565 -7.788 -24.584 1.00 0.00 C ATOM 149 OD1 ASN A 13 4.121 -8.836 -24.914 1.00 0.00 O ATOM 150 ND2 ASN A 13 2.313 -7.750 -24.141 1.00 0.00 N ATOM 0 H ASN A 13 5.096 -5.622 -27.382 1.00 0.00 H new ATOM 0 HA ASN A 13 2.657 -5.612 -25.772 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.354 -6.642 -24.839 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.209 -5.943 -23.712 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.773 -8.612 -24.063 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.892 -6.859 -23.878 1.00 0.00 H new ATOM 157 N TYR A 14 3.187 -3.227 -25.451 1.00 0.00 N ATOM 158 CA TYR A 14 3.456 -1.813 -25.223 1.00 0.00 C ATOM 159 C TYR A 14 2.613 -1.276 -24.070 1.00 0.00 C ATOM 160 O TYR A 14 2.583 -0.072 -23.816 1.00 0.00 O ATOM 161 CB TYR A 14 3.176 -1.007 -26.492 1.00 0.00 C ATOM 162 CG TYR A 14 1.907 -1.420 -27.203 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.715 -1.574 -26.506 1.00 0.00 C ATOM 164 CD2 TYR A 14 1.899 -1.657 -28.572 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.447 -1.951 -27.151 1.00 0.00 C ATOM 166 CE2 TYR A 14 0.742 -2.034 -29.226 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.428 -2.180 -28.511 1.00 0.00 C ATOM 168 OH TYR A 14 -1.583 -2.556 -29.158 1.00 0.00 O ATOM 0 H TYR A 14 2.198 -3.459 -25.537 1.00 0.00 H new ATOM 0 HA TYR A 14 4.508 -1.709 -24.959 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.111 0.050 -26.234 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.018 -1.117 -27.176 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.697 -1.396 -25.441 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.814 -1.544 -29.135 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.365 -2.066 -26.594 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.754 -2.213 -30.291 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.399 -2.676 -30.113 1.00 0.00 H new ATOM 178 N ARG A 15 1.929 -2.180 -23.376 1.00 0.00 N ATOM 179 CA ARG A 15 1.084 -1.800 -22.250 1.00 0.00 C ATOM 180 C ARG A 15 1.813 -0.827 -21.328 1.00 0.00 C ATOM 181 O ARG A 15 2.765 -1.200 -20.642 1.00 0.00 O ATOM 182 CB ARG A 15 0.656 -3.040 -21.464 1.00 0.00 C ATOM 183 CG ARG A 15 -0.640 -2.855 -20.692 1.00 0.00 C ATOM 184 CD ARG A 15 -1.035 -4.124 -19.953 1.00 0.00 C ATOM 185 NE ARG A 15 -0.320 -4.266 -18.688 1.00 0.00 N ATOM 186 CZ ARG A 15 -0.602 -3.558 -17.600 1.00 0.00 C ATOM 187 NH1 ARG A 15 -1.581 -2.663 -17.623 1.00 0.00 N ATOM 188 NH2 ARG A 15 0.094 -3.744 -16.486 1.00 0.00 N ATOM 0 H ARG A 15 1.943 -3.181 -23.574 1.00 0.00 H new ATOM 0 HA ARG A 15 0.197 -1.305 -22.645 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.541 -3.876 -22.154 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.449 -3.309 -20.766 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.527 -2.038 -19.979 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.437 -2.570 -21.379 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.108 -4.114 -19.763 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.831 -4.989 -20.584 1.00 0.00 H new ATOM 0 HE ARG A 15 0.438 -4.947 -18.637 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.119 -2.517 -18.477 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.796 -2.121 -16.786 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.847 -4.432 -16.464 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.124 -3.199 -15.652 1.00 0.00 H new ATOM 202 N SER A 16 1.360 0.423 -21.317 1.00 0.00 N ATOM 203 CA SER A 16 1.972 1.451 -20.483 1.00 0.00 C ATOM 204 C SER A 16 0.932 2.469 -20.025 1.00 0.00 C ATOM 205 O SER A 16 0.305 3.141 -20.843 1.00 0.00 O ATOM 206 CB SER A 16 3.092 2.158 -21.247 1.00 0.00 C ATOM 207 OG SER A 16 2.650 2.580 -22.526 1.00 0.00 O ATOM 0 H SER A 16 0.571 0.748 -21.876 1.00 0.00 H new ATOM 0 HA SER A 16 2.393 0.966 -19.602 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.438 3.019 -20.676 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.943 1.485 -21.356 1.00 0.00 H new ATOM 0 HG SER A 16 2.552 1.801 -23.112 1.00 0.00 H new ATOM 213 N GLU A 17 0.755 2.575 -18.712 1.00 0.00 N ATOM 214 CA GLU A 17 -0.210 3.510 -18.145 1.00 0.00 C ATOM 215 C GLU A 17 0.167 3.879 -16.713 1.00 0.00 C ATOM 216 O GLU A 17 1.047 3.262 -16.113 1.00 0.00 O ATOM 217 CB GLU A 17 -1.616 2.908 -18.175 1.00 0.00 C ATOM 218 CG GLU A 17 -2.267 2.949 -19.547 1.00 0.00 C ATOM 219 CD GLU A 17 -3.704 2.467 -19.526 1.00 0.00 C ATOM 220 OE1 GLU A 17 -4.552 3.152 -18.916 1.00 0.00 O ATOM 221 OE2 GLU A 17 -3.982 1.403 -20.119 1.00 0.00 O ATOM 0 H GLU A 17 1.267 2.026 -18.021 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.198 4.416 -18.751 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.566 1.873 -17.837 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.247 3.445 -17.467 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.236 3.969 -19.929 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.691 2.332 -20.237 1.00 0.00 H new ATOM 228 N ASP A 18 -0.505 4.890 -16.173 1.00 0.00 N ATOM 229 CA ASP A 18 -0.242 5.342 -14.812 1.00 0.00 C ATOM 230 C ASP A 18 -1.499 5.937 -14.184 1.00 0.00 C ATOM 231 O ASP A 18 -2.120 6.839 -14.747 1.00 0.00 O ATOM 232 CB ASP A 18 0.885 6.376 -14.804 1.00 0.00 C ATOM 233 CG ASP A 18 2.132 5.878 -15.508 1.00 0.00 C ATOM 234 OD1 ASP A 18 2.727 4.888 -15.032 1.00 0.00 O ATOM 235 OD2 ASP A 18 2.513 6.479 -16.534 1.00 0.00 O ATOM 0 H ASP A 18 -1.236 5.412 -16.657 1.00 0.00 H new ATOM 0 HA ASP A 18 0.063 4.478 -14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.539 7.290 -15.287 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.131 6.633 -13.774 1.00 0.00 H new ATOM 240 N THR A 19 -1.869 5.425 -13.014 1.00 0.00 N ATOM 241 CA THR A 19 -3.053 5.903 -12.311 1.00 0.00 C ATOM 242 C THR A 19 -3.026 5.489 -10.845 1.00 0.00 C ATOM 243 O THR A 19 -2.616 4.377 -10.512 1.00 0.00 O ATOM 244 CB THR A 19 -4.345 5.371 -12.960 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.407 5.361 -11.999 1.00 0.00 O ATOM 246 CG2 THR A 19 -4.137 3.967 -13.508 1.00 0.00 C ATOM 0 H THR A 19 -1.366 4.679 -12.534 1.00 0.00 H new ATOM 0 HA THR A 19 -3.043 6.991 -12.379 1.00 0.00 H new ATOM 0 HB THR A 19 -4.609 6.031 -13.786 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.225 5.023 -12.419 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.063 3.613 -13.961 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.348 3.983 -14.260 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.851 3.298 -12.696 1.00 0.00 H new ATOM 254 N GLU A 20 -3.466 6.390 -9.972 1.00 0.00 N ATOM 255 CA GLU A 20 -3.491 6.116 -8.540 1.00 0.00 C ATOM 256 C GLU A 20 -4.760 5.363 -8.152 1.00 0.00 C ATOM 257 O GLU A 20 -5.737 5.961 -7.702 1.00 0.00 O ATOM 258 CB GLU A 20 -3.398 7.422 -7.747 1.00 0.00 C ATOM 259 CG GLU A 20 -4.066 8.600 -8.434 1.00 0.00 C ATOM 260 CD GLU A 20 -3.146 9.302 -9.414 1.00 0.00 C ATOM 261 OE1 GLU A 20 -2.416 10.221 -8.987 1.00 0.00 O ATOM 262 OE2 GLU A 20 -3.157 8.934 -10.607 1.00 0.00 O ATOM 0 H GLU A 20 -3.810 7.315 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.631 5.491 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.855 7.276 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.348 7.660 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.955 8.252 -8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.401 9.313 -7.681 1.00 0.00 H new ATOM 269 N ASP A 21 -4.738 4.047 -8.332 1.00 0.00 N ATOM 270 CA ASP A 21 -5.886 3.210 -8.001 1.00 0.00 C ATOM 271 C ASP A 21 -5.505 2.146 -6.977 1.00 0.00 C ATOM 272 O ASP A 21 -4.647 1.301 -7.234 1.00 0.00 O ATOM 273 CB ASP A 21 -6.440 2.546 -9.263 1.00 0.00 C ATOM 274 CG ASP A 21 -7.852 2.028 -9.071 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.213 1.698 -7.922 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.597 1.954 -10.071 1.00 0.00 O ATOM 0 H ASP A 21 -3.938 3.536 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.656 3.847 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.428 3.264 -10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.789 1.721 -9.552 1.00 0.00 H new ATOM 281 N TYR A 22 -6.147 2.194 -5.815 1.00 0.00 N ATOM 282 CA TYR A 22 -5.874 1.236 -4.750 1.00 0.00 C ATOM 283 C TYR A 22 -5.877 -0.192 -5.288 1.00 0.00 C ATOM 284 O TYR A 22 -5.050 -1.016 -4.898 1.00 0.00 O ATOM 285 CB TYR A 22 -6.909 1.374 -3.633 1.00 0.00 C ATOM 286 CG TYR A 22 -6.627 2.518 -2.685 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.675 3.836 -3.121 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.314 2.280 -1.352 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.418 4.884 -2.259 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.056 3.322 -0.482 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.109 4.622 -0.940 1.00 0.00 C ATOM 292 OH TYR A 22 -5.853 5.663 -0.077 1.00 0.00 O ATOM 0 H TYR A 22 -6.860 2.886 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.884 1.452 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.894 1.516 -4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.946 0.444 -3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.918 4.045 -4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.272 1.263 -0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.459 5.903 -2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.814 3.120 0.551 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.653 5.308 0.814 1.00 0.00 H new ATOM 302 N TYR A 23 -6.813 -0.477 -6.186 1.00 0.00 N ATOM 303 CA TYR A 23 -6.927 -1.805 -6.777 1.00 0.00 C ATOM 304 C TYR A 23 -5.707 -2.125 -7.635 1.00 0.00 C ATOM 305 O TYR A 23 -5.223 -3.257 -7.650 1.00 0.00 O ATOM 306 CB TYR A 23 -8.199 -1.903 -7.621 1.00 0.00 C ATOM 307 CG TYR A 23 -9.407 -2.376 -6.844 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.577 -3.721 -6.539 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.377 -1.479 -6.416 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.680 -4.158 -5.830 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.482 -1.907 -5.705 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.628 -3.247 -5.415 1.00 0.00 C ATOM 313 OH TYR A 23 -12.728 -3.677 -4.708 1.00 0.00 O ATOM 0 H TYR A 23 -7.504 0.194 -6.521 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.980 -2.533 -5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.415 -0.925 -8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.022 -2.586 -8.452 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.835 -4.437 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.266 -0.429 -6.643 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.799 -5.207 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.227 -1.196 -5.378 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.298 -2.910 -4.491 1.00 0.00 H new ATOM 323 N THR A 24 -5.214 -1.119 -8.351 1.00 0.00 N ATOM 324 CA THR A 24 -4.052 -1.292 -9.213 1.00 0.00 C ATOM 325 C THR A 24 -2.810 -1.638 -8.399 1.00 0.00 C ATOM 326 O THR A 24 -2.019 -2.497 -8.789 1.00 0.00 O ATOM 327 CB THR A 24 -3.772 -0.023 -10.040 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.790 0.149 -11.032 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.410 -0.104 -10.712 1.00 0.00 C ATOM 0 H THR A 24 -5.602 -0.176 -8.351 1.00 0.00 H new ATOM 0 HA THR A 24 -4.281 -2.115 -9.890 1.00 0.00 H new ATOM 0 HB THR A 24 -3.775 0.832 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.606 0.959 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.235 0.803 -11.290 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.635 -0.205 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.383 -0.968 -11.376 1.00 0.00 H new ATOM 337 N LEU A 25 -2.645 -0.964 -7.265 1.00 0.00 N ATOM 338 CA LEU A 25 -1.499 -1.201 -6.395 1.00 0.00 C ATOM 339 C LEU A 25 -1.332 -2.690 -6.107 1.00 0.00 C ATOM 340 O LEU A 25 -0.217 -3.213 -6.110 1.00 0.00 O ATOM 341 CB LEU A 25 -1.662 -0.432 -5.083 1.00 0.00 C ATOM 342 CG LEU A 25 -2.200 0.995 -5.204 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.089 1.721 -3.872 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.455 1.754 -6.292 1.00 0.00 C ATOM 0 H LEU A 25 -3.290 -0.250 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.605 -0.847 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.331 -0.997 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.693 -0.393 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.253 0.945 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.476 2.735 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.667 1.188 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.044 1.762 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.850 2.767 -6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.394 1.795 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.586 1.244 -7.246 1.00 0.00 H new ATOM 356 N LEU A 26 -2.448 -3.368 -5.861 1.00 0.00 N ATOM 357 CA LEU A 26 -2.426 -4.798 -5.574 1.00 0.00 C ATOM 358 C LEU A 26 -2.807 -5.607 -6.810 1.00 0.00 C ATOM 359 O LEU A 26 -2.891 -6.834 -6.759 1.00 0.00 O ATOM 360 CB LEU A 26 -3.381 -5.122 -4.424 1.00 0.00 C ATOM 361 CG LEU A 26 -3.141 -4.363 -3.118 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.009 -4.929 -2.005 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.671 -4.419 -2.731 1.00 0.00 C ATOM 0 H LEU A 26 -3.379 -2.951 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.411 -5.070 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.399 -4.920 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.319 -6.190 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.416 -3.319 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.825 -4.377 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.060 -4.836 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.765 -5.980 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.519 -3.874 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.369 -5.458 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.070 -3.966 -3.519 1.00 0.00 H new ATOM 375 N GLY A 27 -3.033 -4.912 -7.920 1.00 0.00 N ATOM 376 CA GLY A 27 -3.400 -5.582 -9.154 1.00 0.00 C ATOM 377 C GLY A 27 -4.533 -6.571 -8.961 1.00 0.00 C ATOM 378 O GLY A 27 -4.479 -7.693 -9.466 1.00 0.00 O ATOM 0 H GLY A 27 -2.969 -3.896 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.693 -4.838 -9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.530 -6.104 -9.553 1.00 0.00 H new ATOM 382 N CYS A 28 -5.560 -6.156 -8.229 1.00 0.00 N ATOM 383 CA CYS A 28 -6.710 -7.015 -7.969 1.00 0.00 C ATOM 384 C CYS A 28 -8.006 -6.331 -8.393 1.00 0.00 C ATOM 385 O CYS A 28 -7.988 -5.224 -8.931 1.00 0.00 O ATOM 386 CB CYS A 28 -6.775 -7.381 -6.485 1.00 0.00 C ATOM 387 SG CYS A 28 -7.341 -6.036 -5.417 1.00 0.00 S ATOM 0 H CYS A 28 -5.620 -5.230 -7.805 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.592 -7.926 -8.556 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.442 -8.234 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.786 -7.700 -6.157 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.521 -5.646 -5.799 1.00 0.00 H new ATOM 393 N ASP A 29 -9.128 -7.000 -8.151 1.00 0.00 N ATOM 394 CA ASP A 29 -10.434 -6.457 -8.508 1.00 0.00 C ATOM 395 C ASP A 29 -11.510 -6.954 -7.548 1.00 0.00 C ATOM 396 O ASP A 29 -11.242 -7.775 -6.672 1.00 0.00 O ATOM 397 CB ASP A 29 -10.795 -6.844 -9.943 1.00 0.00 C ATOM 398 CG ASP A 29 -9.770 -6.360 -10.949 1.00 0.00 C ATOM 399 OD1 ASP A 29 -8.706 -7.003 -11.070 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.032 -5.337 -11.617 1.00 0.00 O ATOM 0 H ASP A 29 -9.160 -7.919 -7.709 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.381 -5.371 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.884 -7.928 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.771 -6.428 -10.194 1.00 0.00 H new ATOM 405 N GLU A 30 -12.728 -6.448 -7.719 1.00 0.00 N ATOM 406 CA GLU A 30 -13.843 -6.840 -6.866 1.00 0.00 C ATOM 407 C GLU A 30 -14.013 -8.356 -6.853 1.00 0.00 C ATOM 408 O GLU A 30 -14.474 -8.933 -5.867 1.00 0.00 O ATOM 409 CB GLU A 30 -15.137 -6.175 -7.342 1.00 0.00 C ATOM 410 CG GLU A 30 -15.447 -6.429 -8.808 1.00 0.00 C ATOM 411 CD GLU A 30 -16.898 -6.158 -9.153 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.256 -4.975 -9.332 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.677 -7.130 -9.243 1.00 0.00 O ATOM 0 H GLU A 30 -12.967 -5.767 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.624 -6.508 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.967 -6.538 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.066 -5.100 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.807 -5.799 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.207 -7.464 -9.052 1.00 0.00 H new ATOM 420 N LEU A 31 -13.637 -8.997 -7.954 1.00 0.00 N ATOM 421 CA LEU A 31 -13.747 -10.447 -8.072 1.00 0.00 C ATOM 422 C LEU A 31 -12.770 -11.145 -7.131 1.00 0.00 C ATOM 423 O LEU A 31 -13.079 -12.194 -6.566 1.00 0.00 O ATOM 424 CB LEU A 31 -13.484 -10.883 -9.514 1.00 0.00 C ATOM 425 CG LEU A 31 -14.297 -10.164 -10.592 1.00 0.00 C ATOM 426 CD1 LEU A 31 -13.587 -8.895 -11.037 1.00 0.00 C ATOM 427 CD2 LEU A 31 -14.542 -11.085 -11.778 1.00 0.00 C ATOM 0 H LEU A 31 -13.253 -8.535 -8.778 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.761 -10.734 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.425 -10.738 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.682 -11.952 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.262 -9.886 -10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.180 -8.396 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.464 -8.229 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.608 -9.149 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.122 -10.557 -12.535 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.587 -11.394 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.093 -11.965 -11.447 1.00 0.00 H new ATOM 439 N SER A 32 -11.591 -10.554 -6.966 1.00 0.00 N ATOM 440 CA SER A 32 -10.568 -11.120 -6.095 1.00 0.00 C ATOM 441 C SER A 32 -11.019 -11.093 -4.638 1.00 0.00 C ATOM 442 O SER A 32 -11.814 -10.241 -4.239 1.00 0.00 O ATOM 443 CB SER A 32 -9.254 -10.351 -6.249 1.00 0.00 C ATOM 444 OG SER A 32 -9.200 -9.251 -5.357 1.00 0.00 O ATOM 0 H SER A 32 -11.321 -9.684 -7.424 1.00 0.00 H new ATOM 0 HA SER A 32 -10.410 -12.158 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.414 -11.019 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.154 -9.997 -7.275 1.00 0.00 H new ATOM 0 HG SER A 32 -9.856 -8.576 -5.630 1.00 0.00 H new ATOM 450 N SER A 33 -10.506 -12.030 -3.848 1.00 0.00 N ATOM 451 CA SER A 33 -10.858 -12.117 -2.436 1.00 0.00 C ATOM 452 C SER A 33 -9.631 -11.900 -1.556 1.00 0.00 C ATOM 453 O SER A 33 -8.508 -12.220 -1.946 1.00 0.00 O ATOM 454 CB SER A 33 -11.486 -13.478 -2.128 1.00 0.00 C ATOM 455 OG SER A 33 -12.840 -13.520 -2.544 1.00 0.00 O ATOM 0 H SER A 33 -9.845 -12.740 -4.162 1.00 0.00 H new ATOM 0 HA SER A 33 -11.583 -11.333 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.923 -14.264 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.425 -13.677 -1.058 1.00 0.00 H new ATOM 0 HG SER A 33 -13.218 -14.400 -2.338 1.00 0.00 H new ATOM 461 N VAL A 34 -9.854 -11.353 -0.365 1.00 0.00 N ATOM 462 CA VAL A 34 -8.768 -11.093 0.572 1.00 0.00 C ATOM 463 C VAL A 34 -7.703 -12.182 0.496 1.00 0.00 C ATOM 464 O VAL A 34 -6.507 -11.893 0.473 1.00 0.00 O ATOM 465 CB VAL A 34 -9.286 -10.997 2.020 1.00 0.00 C ATOM 466 CG1 VAL A 34 -10.077 -12.243 2.387 1.00 0.00 C ATOM 467 CG2 VAL A 34 -8.131 -10.785 2.986 1.00 0.00 C ATOM 0 H VAL A 34 -10.777 -11.081 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.327 -10.137 0.288 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.953 -10.138 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.435 -12.158 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.928 -12.346 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.436 -13.120 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.515 -10.719 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.437 -11.623 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.611 -9.861 2.734 1.00 0.00 H new ATOM 477 N GLU A 35 -8.148 -13.434 0.457 1.00 0.00 N ATOM 478 CA GLU A 35 -7.232 -14.567 0.384 1.00 0.00 C ATOM 479 C GLU A 35 -6.242 -14.393 -0.765 1.00 0.00 C ATOM 480 O GLU A 35 -5.035 -14.545 -0.584 1.00 0.00 O ATOM 481 CB GLU A 35 -8.012 -15.871 0.206 1.00 0.00 C ATOM 482 CG GLU A 35 -8.563 -16.432 1.506 1.00 0.00 C ATOM 483 CD GLU A 35 -7.504 -17.138 2.332 1.00 0.00 C ATOM 484 OE1 GLU A 35 -6.381 -16.604 2.438 1.00 0.00 O ATOM 485 OE2 GLU A 35 -7.801 -18.224 2.872 1.00 0.00 O ATOM 0 H GLU A 35 -9.135 -13.689 0.475 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.673 -14.611 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.837 -15.699 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.361 -16.614 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.996 -15.622 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.370 -17.130 1.283 1.00 0.00 H new ATOM 492 N GLN A 36 -6.765 -14.074 -1.945 1.00 0.00 N ATOM 493 CA GLN A 36 -5.927 -13.881 -3.123 1.00 0.00 C ATOM 494 C GLN A 36 -5.204 -12.540 -3.063 1.00 0.00 C ATOM 495 O GLN A 36 -3.977 -12.481 -3.148 1.00 0.00 O ATOM 496 CB GLN A 36 -6.774 -13.960 -4.394 1.00 0.00 C ATOM 497 CG GLN A 36 -5.994 -13.659 -5.664 1.00 0.00 C ATOM 498 CD GLN A 36 -6.618 -14.286 -6.895 1.00 0.00 C ATOM 499 OE1 GLN A 36 -7.805 -14.103 -7.165 1.00 0.00 O ATOM 500 NE2 GLN A 36 -5.819 -15.030 -7.650 1.00 0.00 N ATOM 0 H GLN A 36 -7.763 -13.944 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.180 -14.675 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.207 -14.957 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.604 -13.258 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.934 -12.579 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.973 -14.023 -5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.841 -15.155 -7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.183 -15.477 -8.492 1.00 0.00 H new ATOM 509 N ILE A 37 -5.971 -11.465 -2.915 1.00 0.00 N ATOM 510 CA ILE A 37 -5.403 -10.125 -2.843 1.00 0.00 C ATOM 511 C ILE A 37 -4.125 -10.114 -2.011 1.00 0.00 C ATOM 512 O ILE A 37 -3.100 -9.577 -2.434 1.00 0.00 O ATOM 513 CB ILE A 37 -6.403 -9.121 -2.240 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.679 -9.070 -3.083 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.772 -7.740 -2.140 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.790 -8.262 -2.449 1.00 0.00 C ATOM 0 H ILE A 37 -6.988 -11.496 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.171 -9.825 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.667 -9.452 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.443 -8.646 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.032 -10.087 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.491 -7.042 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.889 -7.789 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.483 -7.399 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.663 -8.269 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.053 -8.699 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.455 -7.235 -2.303 1.00 0.00 H new ATOM 528 N LEU A 38 -4.191 -10.712 -0.827 1.00 0.00 N ATOM 529 CA LEU A 38 -3.038 -10.773 0.065 1.00 0.00 C ATOM 530 C LEU A 38 -1.793 -11.234 -0.686 1.00 0.00 C ATOM 531 O LEU A 38 -0.800 -10.512 -0.762 1.00 0.00 O ATOM 532 CB LEU A 38 -3.323 -11.719 1.234 1.00 0.00 C ATOM 533 CG LEU A 38 -4.071 -11.112 2.421 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.866 -12.181 3.154 1.00 0.00 C ATOM 535 CD2 LEU A 38 -3.099 -10.424 3.369 1.00 0.00 C ATOM 0 H LEU A 38 -5.031 -11.162 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.855 -9.771 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.901 -12.564 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.374 -12.117 1.593 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.769 -10.365 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.392 -11.730 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.589 -12.628 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.188 -12.952 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.649 -9.998 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.377 -11.151 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.574 -9.630 2.838 1.00 0.00 H new ATOM 547 N ALA A 39 -1.855 -12.441 -1.239 1.00 0.00 N ATOM 548 CA ALA A 39 -0.735 -12.996 -1.988 1.00 0.00 C ATOM 549 C ALA A 39 -0.192 -11.987 -2.994 1.00 0.00 C ATOM 550 O ALA A 39 1.019 -11.872 -3.179 1.00 0.00 O ATOM 551 CB ALA A 39 -1.155 -14.276 -2.696 1.00 0.00 C ATOM 0 H ALA A 39 -2.669 -13.053 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 39 0.061 -13.229 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.308 -14.679 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.487 -15.007 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.971 -14.060 -3.385 1.00 0.00 H new ATOM 557 N GLU A 40 -1.096 -11.258 -3.641 1.00 0.00 N ATOM 558 CA GLU A 40 -0.706 -10.260 -4.629 1.00 0.00 C ATOM 559 C GLU A 40 -0.050 -9.057 -3.958 1.00 0.00 C ATOM 560 O GLU A 40 0.732 -8.335 -4.578 1.00 0.00 O ATOM 561 CB GLU A 40 -1.924 -9.805 -5.436 1.00 0.00 C ATOM 562 CG GLU A 40 -2.372 -10.813 -6.481 1.00 0.00 C ATOM 563 CD GLU A 40 -1.652 -10.640 -7.804 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.885 -9.615 -8.478 1.00 0.00 O ATOM 565 OE2 GLU A 40 -0.855 -11.531 -8.166 1.00 0.00 O ATOM 0 H GLU A 40 -2.103 -11.340 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 40 0.018 -10.718 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.751 -9.611 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.691 -8.862 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.198 -11.821 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.446 -10.713 -6.640 1.00 0.00 H new ATOM 572 N PHE A 41 -0.373 -8.848 -2.686 1.00 0.00 N ATOM 573 CA PHE A 41 0.183 -7.732 -1.929 1.00 0.00 C ATOM 574 C PHE A 41 1.617 -8.027 -1.500 1.00 0.00 C ATOM 575 O PHE A 41 2.509 -7.193 -1.655 1.00 0.00 O ATOM 576 CB PHE A 41 -0.680 -7.441 -0.700 1.00 0.00 C ATOM 577 CG PHE A 41 0.082 -6.815 0.433 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.596 -5.533 0.315 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.286 -7.508 1.615 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.297 -4.954 1.356 1.00 0.00 C ATOM 581 CE2 PHE A 41 0.986 -6.933 2.659 1.00 0.00 C ATOM 582 CZ PHE A 41 1.493 -5.655 2.529 1.00 0.00 C ATOM 0 H PHE A 41 -1.017 -9.437 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 41 0.189 -6.854 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.497 -6.779 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.131 -8.371 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.447 -4.980 -0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.106 -8.509 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.691 -3.954 1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.136 -7.483 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.042 -5.205 3.343 1.00 0.00 H new ATOM 592 N LYS A 42 1.832 -9.221 -0.957 1.00 0.00 N ATOM 593 CA LYS A 42 3.157 -9.630 -0.505 1.00 0.00 C ATOM 594 C LYS A 42 4.126 -9.728 -1.678 1.00 0.00 C ATOM 595 O LYS A 42 5.191 -9.111 -1.670 1.00 0.00 O ATOM 596 CB LYS A 42 3.078 -10.975 0.220 1.00 0.00 C ATOM 597 CG LYS A 42 2.778 -10.851 1.704 1.00 0.00 C ATOM 598 CD LYS A 42 1.283 -10.885 1.974 1.00 0.00 C ATOM 599 CE LYS A 42 0.803 -12.298 2.272 1.00 0.00 C ATOM 600 NZ LYS A 42 0.356 -13.003 1.039 1.00 0.00 N ATOM 0 H LYS A 42 1.105 -9.923 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 42 3.528 -8.873 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.306 -11.585 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.023 -11.503 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.265 -11.663 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.197 -9.919 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.049 -10.235 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.747 -10.492 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.608 -12.863 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.019 -12.259 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.611 -13.361 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.371 -12.342 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.996 -13.799 0.843 1.00 0.00 H new ATOM 614 N VAL A 43 3.750 -10.507 -2.687 1.00 0.00 N ATOM 615 CA VAL A 43 4.585 -10.684 -3.869 1.00 0.00 C ATOM 616 C VAL A 43 5.003 -9.339 -4.453 1.00 0.00 C ATOM 617 O VAL A 43 6.170 -9.131 -4.784 1.00 0.00 O ATOM 618 CB VAL A 43 3.855 -11.498 -4.955 1.00 0.00 C ATOM 619 CG1 VAL A 43 3.757 -12.961 -4.550 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.475 -10.916 -5.220 1.00 0.00 C ATOM 0 H VAL A 43 2.872 -11.026 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 43 5.473 -11.230 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 43 4.432 -11.439 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.239 -13.520 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.759 -13.369 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.203 -13.043 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.974 -11.503 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.887 -10.942 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.574 -9.884 -5.558 1.00 0.00 H new ATOM 630 N ARG A 44 4.043 -8.429 -4.575 1.00 0.00 N ATOM 631 CA ARG A 44 4.311 -7.104 -5.120 1.00 0.00 C ATOM 632 C ARG A 44 5.206 -6.301 -4.180 1.00 0.00 C ATOM 633 O ARG A 44 6.019 -5.490 -4.623 1.00 0.00 O ATOM 634 CB ARG A 44 3.000 -6.352 -5.359 1.00 0.00 C ATOM 635 CG ARG A 44 2.399 -6.597 -6.733 1.00 0.00 C ATOM 636 CD ARG A 44 0.986 -6.046 -6.829 1.00 0.00 C ATOM 637 NE ARG A 44 0.588 -5.797 -8.213 1.00 0.00 N ATOM 638 CZ ARG A 44 1.169 -4.893 -8.993 1.00 0.00 C ATOM 639 NH1 ARG A 44 2.168 -4.155 -8.529 1.00 0.00 N ATOM 640 NH2 ARG A 44 0.751 -4.725 -10.241 1.00 0.00 N ATOM 0 H ARG A 44 3.072 -8.585 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 44 4.829 -7.228 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.278 -6.647 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.176 -5.284 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.025 -6.130 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.388 -7.667 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.290 -6.751 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.919 -5.119 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.178 -6.348 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.492 -4.281 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.612 -3.461 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.017 -5.291 -10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.198 -4.030 -10.839 1.00 0.00 H new ATOM 654 N ALA A 45 5.050 -6.533 -2.881 1.00 0.00 N ATOM 655 CA ALA A 45 5.844 -5.833 -1.879 1.00 0.00 C ATOM 656 C ALA A 45 7.307 -6.259 -1.943 1.00 0.00 C ATOM 657 O ALA A 45 8.209 -5.458 -1.692 1.00 0.00 O ATOM 658 CB ALA A 45 5.279 -6.083 -0.488 1.00 0.00 C ATOM 0 H ALA A 45 4.381 -7.201 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 45 5.794 -4.765 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.882 -5.554 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.251 -5.723 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.299 -7.152 -0.274 1.00 0.00 H new ATOM 664 N LEU A 46 7.536 -7.523 -2.279 1.00 0.00 N ATOM 665 CA LEU A 46 8.890 -8.056 -2.375 1.00 0.00 C ATOM 666 C LEU A 46 9.554 -7.625 -3.679 1.00 0.00 C ATOM 667 O LEU A 46 10.676 -7.119 -3.678 1.00 0.00 O ATOM 668 CB LEU A 46 8.867 -9.583 -2.282 1.00 0.00 C ATOM 669 CG LEU A 46 8.248 -10.169 -1.012 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.859 -11.622 -1.230 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.213 -10.043 0.158 1.00 0.00 C ATOM 0 H LEU A 46 6.801 -8.198 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 46 9.470 -7.656 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.320 -9.971 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.891 -9.948 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 46 7.346 -9.604 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.420 -12.022 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.132 -11.687 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.745 -12.201 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.756 -10.465 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.133 -10.583 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.442 -8.991 0.329 1.00 0.00 H new ATOM 683 N GLU A 47 8.852 -7.827 -4.790 1.00 0.00 N ATOM 684 CA GLU A 47 9.373 -7.457 -6.100 1.00 0.00 C ATOM 685 C GLU A 47 9.868 -6.014 -6.101 1.00 0.00 C ATOM 686 O GLU A 47 10.814 -5.671 -6.813 1.00 0.00 O ATOM 687 CB GLU A 47 8.297 -7.639 -7.172 1.00 0.00 C ATOM 688 CG GLU A 47 8.078 -9.088 -7.575 1.00 0.00 C ATOM 689 CD GLU A 47 7.239 -9.224 -8.831 1.00 0.00 C ATOM 690 OE1 GLU A 47 7.800 -9.085 -9.938 1.00 0.00 O ATOM 691 OE2 GLU A 47 6.021 -9.470 -8.706 1.00 0.00 O ATOM 0 H GLU A 47 7.922 -8.245 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 47 10.215 -8.112 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.357 -7.227 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.575 -7.063 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.044 -9.567 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.590 -9.619 -6.757 1.00 0.00 H new ATOM 698 N CYS A 48 9.223 -5.173 -5.301 1.00 0.00 N ATOM 699 CA CYS A 48 9.596 -3.766 -5.210 1.00 0.00 C ATOM 700 C CYS A 48 9.991 -3.399 -3.783 1.00 0.00 C ATOM 701 O CYS A 48 9.757 -2.278 -3.331 1.00 0.00 O ATOM 702 CB CYS A 48 8.440 -2.879 -5.675 1.00 0.00 C ATOM 703 SG CYS A 48 8.065 -3.021 -7.439 1.00 0.00 S ATOM 0 H CYS A 48 8.439 -5.441 -4.706 1.00 0.00 H new ATOM 0 HA CYS A 48 10.455 -3.601 -5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.548 -3.134 -5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.679 -1.840 -5.448 1.00 0.00 H new ATOM 0 HG CYS A 48 7.073 -2.236 -7.736 1.00 0.00 H new ATOM 709 N HIS A 49 10.590 -4.353 -3.077 1.00 0.00 N ATOM 710 CA HIS A 49 11.017 -4.130 -1.700 1.00 0.00 C ATOM 711 C HIS A 49 12.082 -3.040 -1.630 1.00 0.00 C ATOM 712 O HIS A 49 12.979 -2.960 -2.469 1.00 0.00 O ATOM 713 CB HIS A 49 11.558 -5.427 -1.096 1.00 0.00 C ATOM 714 CG HIS A 49 11.489 -5.465 0.400 1.00 0.00 C ATOM 715 ND1 HIS A 49 12.595 -5.313 1.209 1.00 0.00 N ATOM 716 CD2 HIS A 49 10.436 -5.639 1.233 1.00 0.00 C ATOM 717 CE1 HIS A 49 12.226 -5.393 2.475 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.921 -5.590 2.517 1.00 0.00 N ATOM 0 H HIS A 49 10.790 -5.287 -3.435 1.00 0.00 H new ATOM 0 HA HIS A 49 10.150 -3.803 -1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.995 -6.269 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.594 -5.559 -1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.407 -5.788 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.880 -5.311 3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.364 -5.690 3.365 1.00 0.00 H new ATOM 726 N PRO A 50 11.981 -2.178 -0.607 1.00 0.00 N ATOM 727 CA PRO A 50 12.926 -1.077 -0.403 1.00 0.00 C ATOM 728 C PRO A 50 14.307 -1.568 0.018 1.00 0.00 C ATOM 729 O PRO A 50 15.322 -1.146 -0.537 1.00 0.00 O ATOM 730 CB PRO A 50 12.284 -0.260 0.721 1.00 0.00 C ATOM 731 CG PRO A 50 11.434 -1.236 1.459 1.00 0.00 C ATOM 732 CD PRO A 50 10.937 -2.214 0.431 1.00 0.00 C ATOM 0 HA PRO A 50 13.093 -0.510 -1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.039 0.179 1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.689 0.562 0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.007 -1.743 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.603 -0.734 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.821 -3.214 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.965 -1.921 0.034 1.00 0.00 H new ATOM 740 N ASP A 51 14.338 -2.461 1.000 1.00 0.00 N ATOM 741 CA ASP A 51 15.595 -3.012 1.495 1.00 0.00 C ATOM 742 C ASP A 51 16.445 -3.544 0.345 1.00 0.00 C ATOM 743 O ASP A 51 17.664 -3.378 0.332 1.00 0.00 O ATOM 744 CB ASP A 51 15.325 -4.128 2.505 1.00 0.00 C ATOM 745 CG ASP A 51 16.597 -4.650 3.144 1.00 0.00 C ATOM 746 OD1 ASP A 51 17.636 -4.687 2.452 1.00 0.00 O ATOM 747 OD2 ASP A 51 16.553 -5.023 4.335 1.00 0.00 O ATOM 0 H ASP A 51 13.507 -2.820 1.470 1.00 0.00 H new ATOM 0 HA ASP A 51 16.145 -2.211 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.657 -3.757 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.809 -4.948 2.006 1.00 0.00 H new ATOM 752 N LYS A 52 15.792 -4.185 -0.619 1.00 0.00 N ATOM 753 CA LYS A 52 16.487 -4.742 -1.774 1.00 0.00 C ATOM 754 C LYS A 52 17.123 -3.637 -2.611 1.00 0.00 C ATOM 755 O LYS A 52 18.303 -3.707 -2.957 1.00 0.00 O ATOM 756 CB LYS A 52 15.517 -5.554 -2.634 1.00 0.00 C ATOM 757 CG LYS A 52 14.816 -6.667 -1.875 1.00 0.00 C ATOM 758 CD LYS A 52 15.738 -7.853 -1.645 1.00 0.00 C ATOM 759 CE LYS A 52 15.825 -8.738 -2.879 1.00 0.00 C ATOM 760 NZ LYS A 52 17.124 -9.463 -2.951 1.00 0.00 N ATOM 0 H LYS A 52 14.783 -4.332 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 52 17.278 -5.398 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.767 -4.883 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.063 -5.986 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.463 -6.288 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.937 -6.991 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.733 -7.496 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.375 -8.439 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.007 -9.458 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.700 -8.128 -3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.144 -10.055 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.904 -8.776 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.233 -10.065 -2.110 1.00 0.00 H new ATOM 774 N HIS A 53 16.334 -2.616 -2.933 1.00 0.00 N ATOM 775 CA HIS A 53 16.822 -1.495 -3.729 1.00 0.00 C ATOM 776 C HIS A 53 16.929 -0.232 -2.879 1.00 0.00 C ATOM 777 O HIS A 53 16.076 0.654 -2.930 1.00 0.00 O ATOM 778 CB HIS A 53 15.895 -1.245 -4.919 1.00 0.00 C ATOM 779 CG HIS A 53 15.789 -2.413 -5.851 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.371 -2.433 -7.101 1.00 0.00 N ATOM 781 CD2 HIS A 53 15.165 -3.606 -5.708 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.108 -3.587 -7.687 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.378 -4.317 -6.863 1.00 0.00 N ATOM 0 H HIS A 53 15.355 -2.542 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 53 17.815 -1.749 -4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.901 -0.995 -4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.255 -0.379 -5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.604 -3.937 -4.846 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.434 -3.884 -8.673 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.029 -5.256 -7.054 1.00 0.00 H new ATOM 791 N PRO A 54 18.001 -0.147 -2.077 1.00 0.00 N ATOM 792 CA PRO A 54 18.245 1.003 -1.201 1.00 0.00 C ATOM 793 C PRO A 54 18.608 2.261 -1.983 1.00 0.00 C ATOM 794 O PRO A 54 18.424 3.377 -1.499 1.00 0.00 O ATOM 795 CB PRO A 54 19.427 0.549 -0.341 1.00 0.00 C ATOM 796 CG PRO A 54 20.129 -0.472 -1.170 1.00 0.00 C ATOM 797 CD PRO A 54 19.058 -1.166 -1.965 1.00 0.00 C ATOM 0 HA PRO A 54 17.359 1.272 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.085 1.384 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.089 0.126 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.862 -0.004 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.670 -1.180 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.422 -1.476 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.700 -2.063 -1.459 1.00 0.00 H new ATOM 805 N GLU A 55 19.123 2.072 -3.194 1.00 0.00 N ATOM 806 CA GLU A 55 19.511 3.193 -4.042 1.00 0.00 C ATOM 807 C GLU A 55 18.282 3.904 -4.600 1.00 0.00 C ATOM 808 O GLU A 55 18.243 5.131 -4.676 1.00 0.00 O ATOM 809 CB GLU A 55 20.399 2.709 -5.190 1.00 0.00 C ATOM 810 CG GLU A 55 21.202 3.819 -5.847 1.00 0.00 C ATOM 811 CD GLU A 55 22.557 4.023 -5.196 1.00 0.00 C ATOM 812 OE1 GLU A 55 22.594 4.491 -4.039 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.579 3.714 -5.844 1.00 0.00 O ATOM 0 H GLU A 55 19.281 1.154 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 55 20.072 3.900 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.085 1.950 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.775 2.229 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.342 3.585 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.636 4.749 -5.799 1.00 0.00 H new ATOM 820 N ASN A 56 17.279 3.123 -4.989 1.00 0.00 N ATOM 821 CA ASN A 56 16.049 3.677 -5.542 1.00 0.00 C ATOM 822 C ASN A 56 15.047 3.988 -4.434 1.00 0.00 C ATOM 823 O ASN A 56 14.605 3.106 -3.697 1.00 0.00 O ATOM 824 CB ASN A 56 15.431 2.701 -6.545 1.00 0.00 C ATOM 825 CG ASN A 56 14.330 3.340 -7.370 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.322 4.553 -7.581 1.00 0.00 O ATOM 827 ND2 ASN A 56 13.395 2.524 -7.842 1.00 0.00 N ATOM 0 H ASN A 56 17.294 2.105 -4.931 1.00 0.00 H new ATOM 0 HA ASN A 56 16.297 4.606 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.209 2.327 -7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.028 1.841 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.630 2.896 -8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.442 1.525 -7.642 1.00 0.00 H new ATOM 834 N PRO A 57 14.678 5.272 -4.312 1.00 0.00 N ATOM 835 CA PRO A 57 13.723 5.728 -3.298 1.00 0.00 C ATOM 836 C PRO A 57 12.304 5.246 -3.578 1.00 0.00 C ATOM 837 O PRO A 57 11.567 4.886 -2.660 1.00 0.00 O ATOM 838 CB PRO A 57 13.799 7.254 -3.401 1.00 0.00 C ATOM 839 CG PRO A 57 14.254 7.517 -4.794 1.00 0.00 C ATOM 840 CD PRO A 57 15.165 6.376 -5.156 1.00 0.00 C ATOM 0 HA PRO A 57 13.964 5.340 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.829 7.713 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.497 7.666 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.407 7.571 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.778 8.470 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.100 6.131 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.208 6.612 -4.947 1.00 0.00 H new ATOM 848 N LYS A 58 11.928 5.239 -4.852 1.00 0.00 N ATOM 849 CA LYS A 58 10.597 4.799 -5.255 1.00 0.00 C ATOM 850 C LYS A 58 10.194 3.533 -4.507 1.00 0.00 C ATOM 851 O LYS A 58 9.096 3.449 -3.956 1.00 0.00 O ATOM 852 CB LYS A 58 10.556 4.547 -6.764 1.00 0.00 C ATOM 853 CG LYS A 58 10.277 5.797 -7.582 1.00 0.00 C ATOM 854 CD LYS A 58 8.802 6.160 -7.560 1.00 0.00 C ATOM 855 CE LYS A 58 8.010 5.337 -8.564 1.00 0.00 C ATOM 856 NZ LYS A 58 8.002 5.966 -9.914 1.00 0.00 N ATOM 0 H LYS A 58 12.526 5.533 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 58 9.889 5.589 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.509 4.122 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.789 3.803 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.863 6.628 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.598 5.639 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.401 5.999 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.684 7.220 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.438 4.337 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.985 5.222 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.452 5.375 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.570 6.910 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.978 6.053 -10.262 1.00 0.00 H new ATOM 870 N ALA A 59 11.088 2.550 -4.490 1.00 0.00 N ATOM 871 CA ALA A 59 10.826 1.290 -3.806 1.00 0.00 C ATOM 872 C ALA A 59 10.116 1.524 -2.477 1.00 0.00 C ATOM 873 O ALA A 59 9.058 0.951 -2.218 1.00 0.00 O ATOM 874 CB ALA A 59 12.125 0.528 -3.587 1.00 0.00 C ATOM 0 H ALA A 59 12.001 2.602 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 59 10.169 0.692 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.914 -0.411 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.591 0.320 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.801 1.129 -2.979 1.00 0.00 H new ATOM 880 N VAL A 60 10.706 2.368 -1.637 1.00 0.00 N ATOM 881 CA VAL A 60 10.130 2.678 -0.334 1.00 0.00 C ATOM 882 C VAL A 60 8.708 3.208 -0.474 1.00 0.00 C ATOM 883 O VAL A 60 7.847 2.930 0.360 1.00 0.00 O ATOM 884 CB VAL A 60 10.980 3.716 0.423 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.387 3.993 1.796 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.420 3.240 0.542 1.00 0.00 C ATOM 0 H VAL A 60 11.583 2.850 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 60 10.114 1.748 0.234 1.00 0.00 H new ATOM 0 HB VAL A 60 10.974 4.647 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.001 4.729 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.374 4.380 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.360 3.069 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.006 3.985 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.447 2.296 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.840 3.097 -0.454 1.00 0.00 H new ATOM 896 N GLU A 61 8.468 3.972 -1.536 1.00 0.00 N ATOM 897 CA GLU A 61 7.149 4.540 -1.784 1.00 0.00 C ATOM 898 C GLU A 61 6.202 3.488 -2.355 1.00 0.00 C ATOM 899 O GLU A 61 4.987 3.560 -2.164 1.00 0.00 O ATOM 900 CB GLU A 61 7.253 5.725 -2.748 1.00 0.00 C ATOM 901 CG GLU A 61 7.794 6.989 -2.102 1.00 0.00 C ATOM 902 CD GLU A 61 6.924 7.479 -0.960 1.00 0.00 C ATOM 903 OE1 GLU A 61 5.701 7.621 -1.164 1.00 0.00 O ATOM 904 OE2 GLU A 61 7.468 7.720 0.138 1.00 0.00 O ATOM 0 H GLU A 61 9.169 4.211 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 61 6.747 4.888 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.898 5.449 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.267 5.933 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.802 6.800 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.873 7.773 -2.856 1.00 0.00 H new ATOM 911 N THR A 62 6.766 2.511 -3.057 1.00 0.00 N ATOM 912 CA THR A 62 5.973 1.445 -3.657 1.00 0.00 C ATOM 913 C THR A 62 5.363 0.546 -2.588 1.00 0.00 C ATOM 914 O THR A 62 4.278 -0.006 -2.773 1.00 0.00 O ATOM 915 CB THR A 62 6.821 0.584 -4.613 1.00 0.00 C ATOM 916 OG1 THR A 62 7.302 1.386 -5.697 1.00 0.00 O ATOM 917 CG2 THR A 62 6.008 -0.580 -5.158 1.00 0.00 C ATOM 0 H THR A 62 7.769 2.436 -3.224 1.00 0.00 H new ATOM 0 HA THR A 62 5.175 1.925 -4.223 1.00 0.00 H new ATOM 0 HB THR A 62 7.667 0.185 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.897 2.083 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.628 -1.173 -5.830 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.668 -1.205 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.145 -0.197 -5.703 1.00 0.00 H new ATOM 925 N PHE A 63 6.065 0.403 -1.470 1.00 0.00 N ATOM 926 CA PHE A 63 5.592 -0.431 -0.371 1.00 0.00 C ATOM 927 C PHE A 63 4.585 0.326 0.491 1.00 0.00 C ATOM 928 O PHE A 63 3.472 -0.146 0.721 1.00 0.00 O ATOM 929 CB PHE A 63 6.769 -0.894 0.490 1.00 0.00 C ATOM 930 CG PHE A 63 6.479 -2.136 1.283 1.00 0.00 C ATOM 931 CD1 PHE A 63 5.341 -2.222 2.069 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.344 -3.218 1.243 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.072 -3.363 2.801 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.080 -4.362 1.972 1.00 0.00 C ATOM 935 CZ PHE A 63 5.942 -4.435 2.751 1.00 0.00 C ATOM 0 H PHE A 63 6.964 0.854 -1.300 1.00 0.00 H new ATOM 0 HA PHE A 63 5.097 -1.304 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.630 -1.076 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.046 -0.092 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.656 -1.388 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.235 -3.167 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.183 -3.417 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.763 -5.198 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.733 -5.329 3.320 1.00 0.00 H new ATOM 945 N GLN A 64 4.985 1.502 0.964 1.00 0.00 N ATOM 946 CA GLN A 64 4.118 2.323 1.800 1.00 0.00 C ATOM 947 C GLN A 64 2.690 2.330 1.264 1.00 0.00 C ATOM 948 O GLN A 64 1.727 2.308 2.031 1.00 0.00 O ATOM 949 CB GLN A 64 4.654 3.754 1.876 1.00 0.00 C ATOM 950 CG GLN A 64 5.866 3.903 2.780 1.00 0.00 C ATOM 951 CD GLN A 64 6.449 5.302 2.750 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.754 6.270 2.436 1.00 0.00 O ATOM 953 NE2 GLN A 64 7.731 5.417 3.076 1.00 0.00 N ATOM 0 H GLN A 64 5.903 1.907 0.783 1.00 0.00 H new ATOM 0 HA GLN A 64 4.108 1.892 2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.917 4.088 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.861 4.411 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.584 3.653 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.631 3.188 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.269 4.588 3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.178 6.334 3.073 1.00 0.00 H new ATOM 962 N LYS A 65 2.561 2.360 -0.058 1.00 0.00 N ATOM 963 CA LYS A 65 1.251 2.368 -0.699 1.00 0.00 C ATOM 964 C LYS A 65 0.641 0.970 -0.709 1.00 0.00 C ATOM 965 O LYS A 65 -0.579 0.813 -0.648 1.00 0.00 O ATOM 966 CB LYS A 65 1.364 2.897 -2.130 1.00 0.00 C ATOM 967 CG LYS A 65 1.643 1.815 -3.158 1.00 0.00 C ATOM 968 CD LYS A 65 2.112 2.406 -4.477 1.00 0.00 C ATOM 969 CE LYS A 65 2.720 1.343 -5.380 1.00 0.00 C ATOM 970 NZ LYS A 65 3.168 1.911 -6.682 1.00 0.00 N ATOM 0 H LYS A 65 3.348 2.379 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 65 0.598 3.026 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.438 3.407 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.160 3.640 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.402 1.134 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.740 1.227 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.271 2.878 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.848 3.187 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.568 0.879 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.987 0.557 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.576 1.155 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.355 2.331 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.886 2.644 -6.512 1.00 0.00 H new ATOM 984 N LEU A 66 1.497 -0.043 -0.785 1.00 0.00 N ATOM 985 CA LEU A 66 1.043 -1.429 -0.801 1.00 0.00 C ATOM 986 C LEU A 66 0.449 -1.824 0.548 1.00 0.00 C ATOM 987 O LEU A 66 -0.689 -2.284 0.624 1.00 0.00 O ATOM 988 CB LEU A 66 2.202 -2.363 -1.154 1.00 0.00 C ATOM 989 CG LEU A 66 2.426 -2.621 -2.644 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.755 -3.325 -2.870 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.281 -3.441 -3.221 1.00 0.00 C ATOM 0 H LEU A 66 2.509 0.069 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 66 0.266 -1.521 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.118 -1.946 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.034 -3.321 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 66 2.455 -1.661 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.897 -3.500 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.566 -2.701 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.756 -4.279 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.457 -3.615 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.220 -4.397 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.344 -2.899 -3.093 1.00 0.00 H new ATOM 1003 N GLN A 67 1.229 -1.638 1.608 1.00 0.00 N ATOM 1004 CA GLN A 67 0.779 -1.973 2.954 1.00 0.00 C ATOM 1005 C GLN A 67 -0.577 -1.341 3.248 1.00 0.00 C ATOM 1006 O GLN A 67 -1.341 -1.841 4.074 1.00 0.00 O ATOM 1007 CB GLN A 67 1.806 -1.509 3.988 1.00 0.00 C ATOM 1008 CG GLN A 67 2.069 -0.012 3.956 1.00 0.00 C ATOM 1009 CD GLN A 67 2.791 0.481 5.194 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.190 1.101 6.072 1.00 0.00 O ATOM 1011 NE2 GLN A 67 4.088 0.207 5.272 1.00 0.00 N ATOM 0 H GLN A 67 2.174 -1.258 1.561 1.00 0.00 H new ATOM 0 HA GLN A 67 0.675 -3.056 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.458 -1.787 4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.744 -2.038 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.662 0.230 3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.121 0.517 3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.546 -0.310 4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.626 0.513 6.083 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.871 -0.239 2.568 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.135 0.463 2.754 1.00 0.00 C ATOM 1022 C LYS A 68 -3.266 -0.249 2.019 1.00 0.00 C ATOM 1023 O LYS A 68 -4.127 -0.872 2.639 1.00 0.00 O ATOM 1024 CB LYS A 68 -2.020 1.906 2.259 1.00 0.00 C ATOM 1025 CG LYS A 68 -1.306 2.828 3.233 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.245 3.328 4.317 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.983 4.585 3.880 1.00 0.00 C ATOM 1028 NZ LYS A 68 -2.057 5.736 3.697 1.00 0.00 N ATOM 0 H LYS A 68 -0.250 0.188 1.881 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.364 0.469 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.488 1.914 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.020 2.297 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.470 2.299 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.888 3.677 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.966 2.549 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.677 3.535 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.510 4.391 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.737 4.840 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.577 6.626 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.285 5.674 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.661 5.714 2.735 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.255 -0.155 0.693 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.278 -0.793 -0.126 1.00 0.00 C ATOM 1044 C ALA A 69 -4.639 -2.170 0.420 1.00 0.00 C ATOM 1045 O ALA A 69 -5.814 -2.528 0.503 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.806 -0.902 -1.569 1.00 0.00 C ATOM 0 H ALA A 69 -2.549 0.357 0.164 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.174 -0.173 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.580 -1.380 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.605 0.095 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.895 -1.498 -1.610 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.621 -2.940 0.790 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.830 -4.278 1.329 1.00 0.00 C ATOM 1054 C LYS A 70 -4.856 -4.257 2.457 1.00 0.00 C ATOM 1055 O LYS A 70 -5.886 -4.926 2.384 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.508 -4.857 1.840 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.683 -6.028 2.790 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.782 -5.564 4.234 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.245 -6.615 5.194 1.00 0.00 C ATOM 1060 NZ LYS A 70 -3.304 -7.572 5.618 1.00 0.00 N ATOM 0 H LYS A 70 -2.642 -2.660 0.726 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.211 -4.909 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.908 -5.178 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.948 -4.070 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.582 -6.583 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.842 -6.713 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.223 -4.636 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.822 -5.345 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.432 -7.162 4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.826 -6.124 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.866 -8.382 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.963 -7.096 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.824 -7.907 4.782 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.569 -3.482 3.498 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.468 -3.373 4.641 1.00 0.00 C ATOM 1076 C GLU A 71 -6.825 -2.820 4.214 1.00 0.00 C ATOM 1077 O GLU A 71 -7.870 -3.347 4.597 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.855 -2.476 5.718 1.00 0.00 C ATOM 1079 CG GLU A 71 -5.339 -2.794 7.123 1.00 0.00 C ATOM 1080 CD GLU A 71 -5.199 -1.617 8.068 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -4.068 -1.365 8.536 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -6.218 -0.949 8.341 1.00 0.00 O ATOM 0 H GLU A 71 -3.721 -2.920 3.573 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.614 -4.372 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.770 -2.574 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.088 -1.436 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.384 -3.100 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.774 -3.639 7.515 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.800 -1.755 3.421 1.00 0.00 N ATOM 1090 CA ILE A 72 -8.026 -1.130 2.942 1.00 0.00 C ATOM 1091 C ILE A 72 -8.955 -2.159 2.305 1.00 0.00 C ATOM 1092 O ILE A 72 -10.152 -2.193 2.593 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.730 -0.019 1.917 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.941 1.115 2.575 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.025 0.507 1.317 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.662 1.756 3.740 1.00 0.00 C ATOM 0 H ILE A 72 -5.943 -1.306 3.096 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.515 -0.690 3.811 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.125 -0.438 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.983 0.727 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.725 1.878 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.799 1.291 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.551 -0.306 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.654 0.913 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.044 2.551 4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.608 2.174 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.854 1.005 4.507 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.395 -2.997 1.440 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.173 -4.030 0.764 1.00 0.00 C ATOM 1110 C LEU A 73 -9.424 -5.216 1.689 1.00 0.00 C ATOM 1111 O LEU A 73 -10.560 -5.483 2.081 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.446 -4.497 -0.499 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.175 -3.424 -1.554 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.327 -3.988 -2.683 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.484 -2.865 -2.094 1.00 0.00 C ATOM 0 H LEU A 73 -7.406 -2.982 1.190 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.136 -3.602 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.493 -4.937 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.034 -5.291 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.622 -2.610 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.144 -3.210 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.376 -4.339 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.852 -4.820 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.272 -2.103 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.063 -3.669 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.055 -2.422 -1.278 1.00 0.00 H new ATOM 1127 N THR A 74 -8.354 -5.926 2.036 1.00 0.00 N ATOM 1128 CA THR A 74 -8.458 -7.084 2.915 1.00 0.00 C ATOM 1129 C THR A 74 -9.507 -6.859 3.998 1.00 0.00 C ATOM 1130 O THR A 74 -10.222 -7.783 4.383 1.00 0.00 O ATOM 1131 CB THR A 74 -7.108 -7.404 3.584 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.633 -6.260 4.303 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.076 -7.821 2.546 1.00 0.00 C ATOM 0 H THR A 74 -7.406 -5.719 1.721 1.00 0.00 H new ATOM 0 HA THR A 74 -8.756 -7.928 2.293 1.00 0.00 H new ATOM 0 HB THR A 74 -7.258 -8.231 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.539 -5.503 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.131 -8.042 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.427 -8.709 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.931 -7.011 1.832 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.594 -5.626 4.485 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.557 -5.280 5.524 1.00 0.00 C ATOM 1143 C ASN A 75 -11.914 -4.936 4.916 1.00 0.00 C ATOM 1144 O ASN A 75 -12.010 -4.086 4.031 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.044 -4.101 6.353 1.00 0.00 C ATOM 1146 CG ASN A 75 -10.565 -4.125 7.777 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -11.642 -4.655 8.046 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -9.800 -3.548 8.696 1.00 0.00 N ATOM 0 H ASN A 75 -9.009 -4.849 4.177 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.679 -6.147 6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.954 -4.118 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.342 -3.168 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.098 -3.532 9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.914 -3.121 8.427 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.959 -5.602 5.398 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.309 -5.366 4.901 1.00 0.00 C ATOM 1157 C GLU A 76 -14.783 -3.961 5.259 1.00 0.00 C ATOM 1158 O GLU A 76 -15.404 -3.278 4.445 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.276 -6.404 5.475 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.368 -6.377 6.992 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.285 -7.452 7.540 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -17.398 -7.616 6.998 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -15.890 -8.130 8.511 1.00 0.00 O ATOM 0 H GLU A 76 -12.896 -6.308 6.131 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.290 -5.458 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.268 -6.235 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.961 -7.397 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.372 -6.505 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.728 -5.399 7.313 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.485 -3.536 6.483 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.882 -2.213 6.950 1.00 0.00 C ATOM 1172 C GLU A 77 -14.269 -1.122 6.076 1.00 0.00 C ATOM 1173 O GLU A 77 -14.978 -0.267 5.544 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.459 -2.013 8.407 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.938 -0.701 9.005 1.00 0.00 C ATOM 1176 CD GLU A 77 -16.366 -0.776 9.509 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -17.216 -1.350 8.797 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -16.633 -0.261 10.614 1.00 0.00 O ATOM 0 H GLU A 77 -13.970 -4.089 7.169 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.968 -2.142 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.846 -2.838 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.372 -2.056 8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.281 -0.420 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.863 0.085 8.254 1.00 0.00 H new ATOM 1185 N SER A 78 -12.948 -1.157 5.935 1.00 0.00 N ATOM 1186 CA SER A 78 -12.239 -0.169 5.131 1.00 0.00 C ATOM 1187 C SER A 78 -12.632 -0.283 3.661 1.00 0.00 C ATOM 1188 O SER A 78 -12.971 0.712 3.020 1.00 0.00 O ATOM 1189 CB SER A 78 -10.727 -0.349 5.281 1.00 0.00 C ATOM 1190 OG SER A 78 -10.341 -0.305 6.644 1.00 0.00 O ATOM 0 H SER A 78 -12.347 -1.859 6.367 1.00 0.00 H new ATOM 0 HA SER A 78 -12.517 0.822 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.426 -1.302 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.208 0.433 4.727 1.00 0.00 H new ATOM 0 HG SER A 78 -9.371 -0.424 6.713 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.582 -1.502 3.134 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.931 -1.746 1.739 1.00 0.00 C ATOM 1198 C ARG A 79 -14.294 -1.144 1.407 1.00 0.00 C ATOM 1199 O ARG A 79 -14.420 -0.343 0.482 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.941 -3.248 1.449 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.051 -3.582 -0.029 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.141 -5.083 -0.256 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.961 -5.436 -1.662 1.00 0.00 N ATOM 1204 CZ ARG A 79 -13.115 -6.667 -2.136 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.449 -7.658 -1.320 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.934 -6.909 -3.428 1.00 0.00 N ATOM 0 H ARG A 79 -12.303 -2.336 3.651 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.178 -1.267 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.028 -3.692 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.776 -3.706 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.932 -3.096 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.185 -3.184 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.383 -5.586 0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.111 -5.444 0.087 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.703 -4.697 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.588 -7.475 -0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.567 -8.603 -1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.676 -6.149 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.052 -7.855 -3.791 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.310 -1.537 2.167 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.662 -1.036 1.955 1.00 0.00 C ATOM 1222 C ALA A 80 -16.669 0.482 1.811 1.00 0.00 C ATOM 1223 O ALA A 80 -17.340 1.030 0.937 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.570 -1.464 3.098 1.00 0.00 C ATOM 0 H ALA A 80 -15.222 -2.202 2.936 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.039 -1.465 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.576 -1.082 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.599 -2.552 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.186 -1.064 4.037 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.917 1.156 2.676 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.838 2.612 2.646 1.00 0.00 C ATOM 1232 C ARG A 81 -15.111 3.092 1.394 1.00 0.00 C ATOM 1233 O ARG A 81 -15.662 3.851 0.596 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.123 3.131 3.895 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.728 2.630 5.196 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.935 3.461 5.605 1.00 0.00 C ATOM 1237 NE ARG A 81 -18.174 2.947 5.027 1.00 0.00 N ATOM 1238 CZ ARG A 81 -19.259 3.690 4.838 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -19.258 4.971 5.178 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -20.349 3.150 4.307 1.00 0.00 N ATOM 0 H ARG A 81 -15.355 0.718 3.405 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.854 3.005 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.075 2.834 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.146 4.221 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.024 1.587 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.977 2.664 5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.018 3.469 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.788 4.494 5.289 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.208 1.965 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.422 5.390 5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.093 5.538 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.354 2.164 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.182 3.721 4.162 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.871 2.644 1.228 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.067 3.030 0.074 1.00 0.00 C ATOM 1256 C TYR A 82 -13.934 3.159 -1.175 1.00 0.00 C ATOM 1257 O TYR A 82 -13.834 4.138 -1.914 1.00 0.00 O ATOM 1258 CB TYR A 82 -11.957 2.005 -0.166 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.446 1.989 -1.588 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -12.100 1.260 -2.574 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -10.308 2.702 -1.947 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -11.635 1.242 -3.875 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -9.837 2.690 -3.245 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.504 1.958 -4.206 1.00 0.00 C ATOM 1265 OH TYR A 82 -10.039 1.943 -5.501 1.00 0.00 O ATOM 0 H TYR A 82 -13.401 2.014 1.878 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.617 4.000 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.126 2.217 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.329 1.013 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.986 0.698 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.783 3.275 -1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.155 0.670 -4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.952 3.250 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.234 2.499 -5.566 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.784 2.164 -1.403 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.670 2.166 -2.561 1.00 0.00 C ATOM 1277 C ASP A 83 -16.589 3.383 -2.540 1.00 0.00 C ATOM 1278 O ASP A 83 -16.645 4.148 -3.504 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.503 0.883 -2.595 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.420 0.820 -3.800 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -17.016 1.302 -4.879 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -18.541 0.287 -3.665 1.00 0.00 O ATOM 0 H ASP A 83 -14.878 1.346 -0.801 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.054 2.214 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.836 0.021 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.099 0.816 -1.685 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.309 3.556 -1.437 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.227 4.681 -1.291 1.00 0.00 C ATOM 1289 C HIS A 84 -17.597 5.967 -1.817 1.00 0.00 C ATOM 1290 O HIS A 84 -18.212 6.697 -2.594 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.623 4.856 0.175 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.131 6.227 0.499 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.123 6.853 -0.226 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -18.779 7.094 1.478 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -20.358 8.045 0.292 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -19.556 8.216 1.327 1.00 0.00 N ATOM 0 H HIS A 84 -17.275 2.932 -0.631 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.121 4.468 -1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.391 4.124 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.760 4.639 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.027 6.933 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -21.083 8.759 -0.070 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -19.520 9.046 1.918 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.370 6.238 -1.388 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.658 7.437 -1.816 1.00 0.00 C ATOM 1306 C TRP A 85 -15.419 7.420 -3.322 1.00 0.00 C ATOM 1307 O TRP A 85 -15.608 8.429 -4.001 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.324 7.554 -1.077 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.456 8.662 -1.590 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.333 9.917 -1.067 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.591 8.614 -2.730 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.444 10.653 -1.813 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.974 9.876 -2.838 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.276 7.628 -3.669 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.062 10.175 -3.848 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.372 7.927 -4.671 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.773 9.191 -4.753 1.00 0.00 C ATOM 0 H TRP A 85 -15.847 5.644 -0.744 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.276 8.302 -1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.517 7.715 -0.016 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.785 6.610 -1.163 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.857 10.278 -0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.178 11.621 -1.633 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.731 6.650 -3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.600 11.149 -3.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.123 7.173 -5.403 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.069 9.392 -5.547 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.002 6.268 -3.837 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.736 6.121 -5.263 1.00 0.00 C ATOM 1330 C ARG A 86 -15.904 6.648 -6.091 1.00 0.00 C ATOM 1331 O ARG A 86 -15.723 7.485 -6.976 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.475 4.653 -5.606 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.913 4.445 -7.003 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.462 3.008 -7.214 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.569 2.600 -8.612 1.00 0.00 N ATOM 1336 CZ ARG A 86 -13.278 1.378 -9.045 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.866 0.449 -8.193 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -13.400 1.083 -10.333 1.00 0.00 N ATOM 0 H ARG A 86 -14.841 5.423 -3.288 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.849 6.707 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.779 4.237 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.407 4.095 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.671 4.702 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.071 5.119 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.429 2.900 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.066 2.344 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.884 3.291 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.772 0.672 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.643 -0.488 -8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.717 1.795 -10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.176 0.145 -10.665 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.102 6.152 -5.798 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.299 6.572 -6.516 1.00 0.00 C ATOM 1354 C ARG A 87 -18.587 8.051 -6.276 1.00 0.00 C ATOM 1355 O ARG A 87 -19.190 8.721 -7.115 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.501 5.730 -6.083 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.819 5.840 -4.601 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.200 5.288 -4.285 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.254 6.260 -4.563 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.498 6.144 -4.112 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.841 5.104 -3.364 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.402 7.070 -4.408 1.00 0.00 N ATOM 0 H ARG A 87 -17.269 5.459 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.124 6.422 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.375 6.037 -6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.309 4.685 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.069 5.298 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.764 6.884 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.374 4.387 -4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.243 4.997 -3.235 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.022 7.072 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.149 4.391 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.797 5.017 -3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.142 7.872 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.357 6.980 -4.061 1.00 0.00 H new ATOM 1376 N SER A 88 -18.153 8.553 -5.124 1.00 0.00 N ATOM 1377 CA SER A 88 -18.368 9.952 -4.771 1.00 0.00 C ATOM 1378 C SER A 88 -17.404 10.858 -5.531 1.00 0.00 C ATOM 1379 O SER A 88 -17.618 12.066 -5.627 1.00 0.00 O ATOM 1380 CB SER A 88 -18.194 10.152 -3.265 1.00 0.00 C ATOM 1381 OG SER A 88 -19.404 9.894 -2.573 1.00 0.00 O ATOM 0 H SER A 88 -17.651 8.012 -4.420 1.00 0.00 H new ATOM 0 HA SER A 88 -19.387 10.219 -5.050 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.411 9.490 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.868 11.173 -3.066 1.00 0.00 H new ATOM 0 HG SER A 88 -19.266 10.027 -1.612 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.343 10.265 -6.068 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.345 11.019 -6.818 1.00 0.00 C ATOM 1389 C GLN A 89 -15.104 12.384 -6.183 1.00 0.00 C ATOM 1390 O GLN A 89 -15.132 13.409 -6.864 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.792 11.190 -8.271 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.383 10.038 -9.174 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.039 10.103 -10.539 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -17.189 9.696 -10.707 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -15.311 10.618 -11.522 1.00 0.00 N ATOM 0 H GLN A 89 -16.152 9.265 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.410 10.459 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.877 11.295 -8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.372 12.116 -8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.300 10.044 -9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.645 9.095 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.362 10.943 -11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.701 10.689 -12.462 1.00 0.00 H new ATOM 1404 N MET A 90 -14.867 12.389 -4.876 1.00 0.00 N ATOM 1405 CA MET A 90 -14.619 13.630 -4.150 1.00 0.00 C ATOM 1406 C MET A 90 -13.477 14.415 -4.787 1.00 0.00 C ATOM 1407 O MET A 90 -12.497 13.834 -5.254 1.00 0.00 O ATOM 1408 CB MET A 90 -14.293 13.332 -2.685 1.00 0.00 C ATOM 1409 CG MET A 90 -15.363 12.514 -1.978 1.00 0.00 C ATOM 1410 SD MET A 90 -16.634 13.543 -1.218 1.00 0.00 S ATOM 1411 CE MET A 90 -17.420 12.359 -0.128 1.00 0.00 C ATOM 0 H MET A 90 -14.841 11.549 -4.298 1.00 0.00 H new ATOM 0 HA MET A 90 -15.524 14.236 -4.198 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.345 12.796 -2.634 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.156 14.273 -2.153 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.829 11.837 -2.694 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.895 11.896 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.231 12.846 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.821 11.534 -0.716 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.687 11.976 0.582 1.00 0.00 H new ATOM 1421 N SER A 91 -13.611 15.737 -4.804 1.00 0.00 N ATOM 1422 CA SER A 91 -12.592 16.601 -5.389 1.00 0.00 C ATOM 1423 C SER A 91 -11.198 16.187 -4.926 1.00 0.00 C ATOM 1424 O SER A 91 -10.258 16.142 -5.718 1.00 0.00 O ATOM 1425 CB SER A 91 -12.854 18.060 -5.013 1.00 0.00 C ATOM 1426 OG SER A 91 -13.961 18.581 -5.728 1.00 0.00 O ATOM 0 H SER A 91 -14.415 16.233 -4.420 1.00 0.00 H new ATOM 0 HA SER A 91 -12.642 16.498 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.042 18.135 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.967 18.658 -5.224 1.00 0.00 H new ATOM 0 HG SER A 91 -14.108 19.514 -5.468 1.00 0.00 H new ATOM 1432 N MET A 92 -11.075 15.885 -3.638 1.00 0.00 N ATOM 1433 CA MET A 92 -9.797 15.474 -3.069 1.00 0.00 C ATOM 1434 C MET A 92 -9.662 13.954 -3.078 1.00 0.00 C ATOM 1435 O MET A 92 -10.650 13.219 -3.086 1.00 0.00 O ATOM 1436 CB MET A 92 -9.657 16.001 -1.640 1.00 0.00 C ATOM 1437 CG MET A 92 -10.182 15.042 -0.583 1.00 0.00 C ATOM 1438 SD MET A 92 -11.973 14.846 -0.652 1.00 0.00 S ATOM 1439 CE MET A 92 -12.408 15.110 1.065 1.00 0.00 C ATOM 0 H MET A 92 -11.844 15.917 -2.969 1.00 0.00 H new ATOM 0 HA MET A 92 -9.002 15.896 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.606 16.209 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.191 16.948 -1.557 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.709 14.069 -0.713 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.898 15.405 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.488 15.021 1.185 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.911 14.364 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.090 16.106 1.372 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.411 13.470 -3.076 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.118 12.034 -3.084 1.00 0.00 C ATOM 1451 C PRO A 93 -8.484 11.361 -1.766 1.00 0.00 C ATOM 1452 O PRO A 93 -8.586 12.017 -0.729 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.604 11.982 -3.308 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.100 13.285 -2.792 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.186 14.288 -3.067 1.00 0.00 C ATOM 0 HA PRO A 93 -8.694 11.505 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.154 11.144 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.364 11.855 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.885 13.225 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.172 13.569 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.224 15.060 -2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.034 14.794 -4.020 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.681 10.047 -1.813 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.037 9.285 -0.622 1.00 0.00 C ATOM 1465 C PHE A 94 -8.090 9.604 0.532 1.00 0.00 C ATOM 1466 O PHE A 94 -8.512 9.708 1.683 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.006 7.785 -0.922 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.617 6.943 0.161 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -10.991 6.787 0.243 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.818 6.308 1.098 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.557 6.013 1.239 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.377 5.534 2.097 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.749 5.385 2.166 1.00 0.00 C ATOM 0 H PHE A 94 -8.600 9.489 -2.663 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.048 9.569 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -9.534 7.599 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.972 7.474 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.628 7.276 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.745 6.419 1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.630 5.900 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.743 5.046 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.189 4.778 2.944 1.00 0.00 H new ATOM 1483 N GLN A 95 -6.809 9.757 0.212 1.00 0.00 N ATOM 1484 CA GLN A 95 -5.802 10.063 1.222 1.00 0.00 C ATOM 1485 C GLN A 95 -6.358 11.018 2.273 1.00 0.00 C ATOM 1486 O GLN A 95 -6.252 10.765 3.472 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.562 10.672 0.567 1.00 0.00 C ATOM 1488 CG GLN A 95 -3.509 11.128 1.564 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.914 12.385 2.308 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -4.146 13.431 1.701 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -4.003 12.289 3.629 1.00 0.00 N ATOM 0 H GLN A 95 -6.444 9.674 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.523 9.132 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.119 9.938 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.865 11.523 -0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.324 10.329 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.571 11.308 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.802 11.402 4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.273 13.102 4.182 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.949 12.117 1.814 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.520 13.111 2.715 1.00 0.00 C ATOM 1502 C GLN A 96 -8.677 12.520 3.514 1.00 0.00 C ATOM 1503 O GLN A 96 -8.720 12.633 4.739 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.999 14.330 1.927 1.00 0.00 C ATOM 1505 CG GLN A 96 -8.604 15.419 2.798 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.662 15.882 3.892 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -8.225 16.360 4.995 1.00 0.00 O flip ATOM 1508 NE2 GLN A 96 -6.441 15.810 3.747 1.00 0.00 N flip ATOM 0 H GLN A 96 -7.045 12.341 0.824 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.742 13.422 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.159 14.746 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.739 14.010 1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.875 16.270 2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.525 15.049 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.051 15.436 2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.820 16.125 4.492 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.612 11.890 2.813 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.770 11.281 3.457 1.00 0.00 C ATOM 1519 C TRP A 97 -10.355 10.504 4.702 1.00 0.00 C ATOM 1520 O TRP A 97 -10.878 10.735 5.791 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.495 10.354 2.480 1.00 0.00 C ATOM 1522 CG TRP A 97 -12.959 10.215 2.768 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.909 11.192 2.677 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.639 9.030 3.197 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.139 10.686 3.022 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.000 9.362 3.344 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.232 7.721 3.468 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -15.953 8.432 3.752 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.178 6.799 3.872 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.526 7.157 4.011 1.00 0.00 C ATOM 0 H TRP A 97 -9.591 11.787 1.798 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.448 12.080 3.759 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.366 10.734 1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.030 9.368 2.513 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.721 12.213 2.378 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.013 11.211 3.036 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.196 7.435 3.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -16.992 8.707 3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -13.874 5.785 4.084 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.242 6.413 4.328 1.00 0.00 H new ATOM 1541 N GLU A 98 -9.412 9.582 4.531 1.00 0.00 N ATOM 1542 CA GLU A 98 -8.928 8.771 5.642 1.00 0.00 C ATOM 1543 C GLU A 98 -8.904 9.580 6.936 1.00 0.00 C ATOM 1544 O GLU A 98 -9.628 9.276 7.884 1.00 0.00 O ATOM 1545 CB GLU A 98 -7.528 8.233 5.338 1.00 0.00 C ATOM 1546 CG GLU A 98 -7.532 6.862 4.683 1.00 0.00 C ATOM 1547 CD GLU A 98 -6.277 6.599 3.874 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -5.827 7.521 3.162 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -5.745 5.472 3.953 1.00 0.00 O ATOM 0 H GLU A 98 -8.969 9.379 3.635 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.612 7.932 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.011 8.937 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.958 8.181 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.631 6.096 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.403 6.776 4.034 1.00 0.00 H new ATOM 1556 N ALA A 99 -8.066 10.611 6.968 1.00 0.00 N ATOM 1557 CA ALA A 99 -7.948 11.464 8.144 1.00 0.00 C ATOM 1558 C ALA A 99 -9.321 11.859 8.675 1.00 0.00 C ATOM 1559 O ALA A 99 -9.613 11.688 9.860 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.130 12.704 7.816 1.00 0.00 C ATOM 0 H ALA A 99 -7.459 10.876 6.193 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.435 10.899 8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.050 13.332 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.133 12.407 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.620 13.263 7.019 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.162 12.388 7.793 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.506 12.808 8.174 1.00 0.00 C ATOM 1568 C LEU A 100 -12.250 11.680 8.881 1.00 0.00 C ATOM 1569 O LEU A 100 -12.954 11.907 9.864 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.290 13.257 6.940 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.175 14.737 6.573 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -10.852 15.013 5.876 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -13.342 15.161 5.693 1.00 0.00 C ATOM 0 H LEU A 100 -9.937 12.536 6.809 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.416 13.647 8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.957 12.665 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.343 13.023 7.098 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.207 15.323 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.788 16.071 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.029 14.749 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.789 14.417 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.243 16.217 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.342 14.569 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.278 15.001 6.228 1.00 0.00 H new ATOM 1585 N ASN A 101 -12.086 10.462 8.374 1.00 0.00 N ATOM 1586 CA ASN A 101 -12.741 9.297 8.957 1.00 0.00 C ATOM 1587 C ASN A 101 -11.758 8.481 9.792 1.00 0.00 C ATOM 1588 O ASN A 101 -11.751 7.251 9.735 1.00 0.00 O ATOM 1589 CB ASN A 101 -13.344 8.420 7.858 1.00 0.00 C ATOM 1590 CG ASN A 101 -14.668 8.957 7.350 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -14.617 9.739 6.277 1.00 0.00 O flip ATOM 1592 ND2 ASN A 101 -15.724 8.673 7.916 1.00 0.00 N flip ATOM 0 H ASN A 101 -11.505 10.257 7.561 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.540 9.650 9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -12.641 8.349 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.488 7.410 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -15.716 8.068 8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -16.607 9.042 7.563 1.00 0.00 H new ATOM 1599 N ASP A 102 -10.931 9.175 10.566 1.00 0.00 N ATOM 1600 CA ASP A 102 -9.944 8.516 11.414 1.00 0.00 C ATOM 1601 C ASP A 102 -9.553 9.409 12.587 1.00 0.00 C ATOM 1602 O ASP A 102 -9.976 10.562 12.670 1.00 0.00 O ATOM 1603 CB ASP A 102 -8.703 8.150 10.599 1.00 0.00 C ATOM 1604 CG ASP A 102 -8.956 7.003 9.640 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -9.668 6.053 10.028 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -8.443 7.056 8.503 1.00 0.00 O ATOM 0 H ASP A 102 -10.924 10.193 10.624 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.391 7.604 11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.371 9.023 10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.893 7.881 11.277 1.00 0.00 H new ATOM 1611 N SER A 103 -8.744 8.867 13.492 1.00 0.00 N ATOM 1612 CA SER A 103 -8.300 9.613 14.664 1.00 0.00 C ATOM 1613 C SER A 103 -9.484 10.253 15.382 1.00 0.00 C ATOM 1614 O SER A 103 -9.421 11.410 15.799 1.00 0.00 O ATOM 1615 CB SER A 103 -7.293 10.691 14.257 1.00 0.00 C ATOM 1616 OG SER A 103 -6.221 10.133 13.516 1.00 0.00 O ATOM 0 H SER A 103 -8.383 7.915 13.436 1.00 0.00 H new ATOM 0 HA SER A 103 -7.818 8.914 15.347 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.793 11.454 13.661 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.905 11.186 15.147 1.00 0.00 H new ATOM 0 HG SER A 103 -5.592 10.842 13.266 1.00 0.00 H new ATOM 1622 N VAL A 104 -10.564 9.491 15.523 1.00 0.00 N ATOM 1623 CA VAL A 104 -11.764 9.982 16.191 1.00 0.00 C ATOM 1624 C VAL A 104 -11.558 10.063 17.700 1.00 0.00 C ATOM 1625 O VAL A 104 -12.211 9.353 18.466 1.00 0.00 O ATOM 1626 CB VAL A 104 -12.978 9.081 15.897 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -13.655 9.504 14.603 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -12.556 7.621 15.836 1.00 0.00 C ATOM 0 H VAL A 104 -10.633 8.532 15.184 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.959 10.980 15.800 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.697 9.193 16.709 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.510 8.856 14.411 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.994 10.536 14.690 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.947 9.423 13.778 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.427 6.999 15.627 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.817 7.488 15.045 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.121 7.328 16.792 1.00 0.00 H new ATOM 1638 N LYS A 105 -10.647 10.933 18.121 1.00 0.00 N ATOM 1639 CA LYS A 105 -10.355 11.110 19.539 1.00 0.00 C ATOM 1640 C LYS A 105 -11.639 11.124 20.361 1.00 0.00 C ATOM 1641 O LYS A 105 -12.578 11.860 20.055 1.00 0.00 O ATOM 1642 CB LYS A 105 -9.580 12.411 19.762 1.00 0.00 C ATOM 1643 CG LYS A 105 -8.880 12.478 21.109 1.00 0.00 C ATOM 1644 CD LYS A 105 -7.755 13.499 21.103 1.00 0.00 C ATOM 1645 CE LYS A 105 -6.935 13.433 22.382 1.00 0.00 C ATOM 1646 NZ LYS A 105 -5.719 14.289 22.306 1.00 0.00 N ATOM 0 H LYS A 105 -10.097 11.527 17.500 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.744 10.269 19.867 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.839 12.523 18.971 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.267 13.253 19.677 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.603 12.736 21.883 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.480 11.496 21.361 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.107 13.323 20.245 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.171 14.500 20.988 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.550 13.750 23.224 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.641 12.401 22.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.187 14.217 23.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.119 13.971 21.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.000 15.278 22.150 1.00 0.00 H new ATOM 1660 N THR A 106 -11.675 10.305 21.408 1.00 0.00 N ATOM 1661 CA THR A 106 -12.844 10.223 22.275 1.00 0.00 C ATOM 1662 C THR A 106 -12.855 11.360 23.291 1.00 0.00 C ATOM 1663 O THR A 106 -11.803 11.847 23.704 1.00 0.00 O ATOM 1664 CB THR A 106 -12.894 8.879 23.025 1.00 0.00 C ATOM 1665 OG1 THR A 106 -14.090 8.799 23.808 1.00 0.00 O ATOM 1666 CG2 THR A 106 -11.680 8.716 23.926 1.00 0.00 C ATOM 0 H THR A 106 -10.907 9.689 21.676 1.00 0.00 H new ATOM 0 HA THR A 106 -13.721 10.305 21.633 1.00 0.00 H new ATOM 0 HB THR A 106 -12.889 8.077 22.287 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.115 7.941 24.280 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.738 7.759 24.445 1.00 0.00 H new ATOM 0 HG22 THR A 106 -10.773 8.747 23.323 1.00 0.00 H new ATOM 0 HG23 THR A 106 -11.658 9.524 24.657 1.00 0.00 H new ATOM 1674 N SER A 107 -14.052 11.777 23.691 1.00 0.00 N ATOM 1675 CA SER A 107 -14.200 12.859 24.658 1.00 0.00 C ATOM 1676 C SER A 107 -13.078 12.822 25.691 1.00 0.00 C ATOM 1677 O SER A 107 -12.312 13.776 25.826 1.00 0.00 O ATOM 1678 CB SER A 107 -15.557 12.763 25.359 1.00 0.00 C ATOM 1679 OG SER A 107 -15.773 13.877 26.207 1.00 0.00 O ATOM 0 H SER A 107 -14.933 11.383 23.361 1.00 0.00 H new ATOM 0 HA SER A 107 -14.143 13.805 24.119 1.00 0.00 H new ATOM 0 HB2 SER A 107 -16.351 12.709 24.615 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.604 11.843 25.942 1.00 0.00 H new ATOM 0 HG SER A 107 -16.647 13.793 26.642 1.00 0.00 H new ATOM 1685 N GLY A 108 -12.987 11.713 26.418 1.00 0.00 N ATOM 1686 CA GLY A 108 -11.957 11.571 27.430 1.00 0.00 C ATOM 1687 C GLY A 108 -12.480 11.824 28.830 1.00 0.00 C ATOM 1688 O GLY A 108 -12.121 12.805 29.482 1.00 0.00 O ATOM 0 H GLY A 108 -13.609 10.910 26.324 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.538 10.566 27.378 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.145 12.267 27.218 1.00 0.00 H new ATOM 1692 N PRO A 109 -13.350 10.925 29.312 1.00 0.00 N ATOM 1693 CA PRO A 109 -13.943 11.034 30.648 1.00 0.00 C ATOM 1694 C PRO A 109 -12.925 10.788 31.756 1.00 0.00 C ATOM 1695 O PRO A 109 -13.217 10.985 32.936 1.00 0.00 O ATOM 1696 CB PRO A 109 -15.013 9.939 30.652 1.00 0.00 C ATOM 1697 CG PRO A 109 -14.539 8.943 29.651 1.00 0.00 C ATOM 1698 CD PRO A 109 -13.822 9.731 28.590 1.00 0.00 C ATOM 0 HA PRO A 109 -14.335 12.033 30.839 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -15.116 9.490 31.640 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.990 10.339 30.381 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.873 8.213 30.112 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -15.376 8.388 29.226 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.994 9.167 28.161 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -14.487 9.995 27.768 1.00 0.00 H new ATOM 1706 N SER A 110 -11.729 10.357 31.369 1.00 0.00 N ATOM 1707 CA SER A 110 -10.668 10.081 32.331 1.00 0.00 C ATOM 1708 C SER A 110 -9.298 10.386 31.732 1.00 0.00 C ATOM 1709 O SER A 110 -9.107 10.302 30.519 1.00 0.00 O ATOM 1710 CB SER A 110 -10.726 8.620 32.781 1.00 0.00 C ATOM 1711 OG SER A 110 -9.635 8.304 33.629 1.00 0.00 O ATOM 0 H SER A 110 -11.470 10.191 30.396 1.00 0.00 H new ATOM 0 HA SER A 110 -10.819 10.727 33.196 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.664 8.435 33.305 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.714 7.967 31.909 1.00 0.00 H new ATOM 0 HG SER A 110 -9.696 7.365 33.904 1.00 0.00 H new ATOM 1717 N SER A 111 -8.349 10.741 32.591 1.00 0.00 N ATOM 1718 CA SER A 111 -6.998 11.063 32.148 1.00 0.00 C ATOM 1719 C SER A 111 -6.056 9.883 32.374 1.00 0.00 C ATOM 1720 O SER A 111 -6.449 8.860 32.932 1.00 0.00 O ATOM 1721 CB SER A 111 -6.475 12.296 32.888 1.00 0.00 C ATOM 1722 OG SER A 111 -6.682 12.178 34.285 1.00 0.00 O ATOM 0 H SER A 111 -8.491 10.813 33.599 1.00 0.00 H new ATOM 0 HA SER A 111 -7.035 11.278 31.080 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.412 12.423 32.684 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.979 13.188 32.516 1.00 0.00 H new ATOM 0 HG SER A 111 -6.338 12.977 34.735 1.00 0.00 H new ATOM 1728 N GLY A 112 -4.810 10.036 31.936 1.00 0.00 N ATOM 1729 CA GLY A 112 -3.831 8.977 32.099 1.00 0.00 C ATOM 1730 C GLY A 112 -2.544 9.470 32.728 1.00 0.00 C ATOM 1731 O GLY A 112 -2.464 10.611 33.182 1.00 0.00 O ATOM 0 H GLY A 112 -4.461 10.874 31.471 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.255 8.187 32.718 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -3.611 8.537 31.126 1.00 0.00 H new TER 1735 GLY A 112