USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1000 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 116 SER OG : rot -77:sc= 0.433 USER MOD Set 1.2: A 117 HIS : no HD1:sc= 0.0562 K(o=0.49,f=-0.32) USER MOD Set 2.1: A 101 SER OG : rot -100:sc= 0.103 USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 80 THR OG1 : rot -150:sc= 0 USER MOD Set 3.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot -15:sc= 0.685 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 17 THR OG1 : rot 43:sc= 0.586 USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 162:sc= -0.092 (180deg=-0.638) USER MOD Single : A 0 MET N :NH3+ -169:sc= 0 (180deg=-0.117) USER MOD Single : A 1 ASN : amide:sc= -7.95! C(o=-8!,f=-6.6!) USER MOD Single : A 7 THR OG1 : rot -56:sc= 0.632 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -179:sc= -1.09 (180deg=-1.09) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -90:sc= 0.0886 USER MOD Single : A 27 THR OG1 : rot 130:sc= -0.0548 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 37 TYR OH : rot -132:sc= 1.06 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= 0.0945 X(o=0.094,f=-0.39) USER MOD Single : A 42 SER OG : rot -26:sc= 0.383 USER MOD Single : A 43 THR OG1 : rot 80:sc= -0.0379 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -10.6! C(o=-11!,f=-6.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00413 X(o=-0.0041,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 111:sc= 0.348 USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.119) USER MOD Single : A 67 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.12) USER MOD Single : A 73 ASN : amide:sc= -0.385 K(o=-0.39,f=1.3) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= -0.776! (180deg=-5.88!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -10.1! C(o=-10!,f=-19!) USER MOD Single : A 91 SER OG : rot -15:sc= 0.946 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 141:sc= 0.713 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 121 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.011) USER MOD Single : A 127 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 129 HIS : no HD1:sc= 0.0236 K(o=0.024,f=-0.49) USER MOD Single : A 130 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-4!) USER MOD Single : A 131 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.17) USER MOD Single : A 132 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 34.932 -0.519 -4.079 1.00 0.00 N ATOM 2 CA MET A 0 33.894 -1.204 -4.893 1.00 0.00 C ATOM 3 C MET A 0 32.493 -0.793 -4.450 1.00 0.00 C ATOM 4 O MET A 0 31.699 -0.306 -5.254 1.00 0.00 O ATOM 5 CB MET A 0 34.049 -2.721 -4.776 1.00 0.00 C ATOM 6 CG MET A 0 35.319 -3.256 -5.418 1.00 0.00 C ATOM 7 SD MET A 0 35.502 -5.038 -5.217 1.00 0.00 S ATOM 8 CE MET A 0 34.051 -5.630 -6.086 1.00 0.00 C ATOM 0 H1 MET A 0 35.866 -0.665 -4.513 1.00 0.00 H new ATOM 0 H2 MET A 0 34.725 0.499 -4.038 1.00 0.00 H new ATOM 0 H3 MET A 0 34.933 -0.911 -3.116 1.00 0.00 H new ATOM 0 HA MET A 0 34.029 -0.906 -5.933 1.00 0.00 H new ATOM 0 HB2 MET A 0 34.041 -2.998 -3.722 1.00 0.00 H new ATOM 0 HB3 MET A 0 33.188 -3.202 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 0 35.314 -3.013 -6.481 1.00 0.00 H new ATOM 0 HG3 MET A 0 36.182 -2.754 -4.980 1.00 0.00 H new ATOM 0 HE1 MET A 0 34.178 -6.685 -6.329 1.00 0.00 H new ATOM 0 HE2 MET A 0 33.172 -5.507 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 0 33.919 -5.059 -7.005 1.00 0.00 H new ATOM 20 N ASN A 1 32.198 -0.996 -3.169 1.00 0.00 N ATOM 21 CA ASN A 1 30.890 -0.651 -2.618 1.00 0.00 C ATOM 22 C ASN A 1 29.779 -1.398 -3.346 1.00 0.00 C ATOM 23 O ASN A 1 30.044 -2.222 -4.221 1.00 0.00 O ATOM 24 CB ASN A 1 30.655 0.858 -2.707 1.00 0.00 C ATOM 25 CG ASN A 1 31.358 1.616 -1.601 1.00 0.00 C ATOM 26 OD1 ASN A 1 32.504 2.039 -1.749 1.00 0.00 O ATOM 27 ND2 ASN A 1 30.667 1.789 -0.481 1.00 0.00 N ATOM 0 H ASN A 1 32.847 -1.398 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 1 30.875 -0.950 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.005 1.222 -3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 1 29.585 1.060 -2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 1 31.084 2.291 0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.719 1.420 -0.404 1.00 0.00 H new ATOM 34 N CYS A 2 28.532 -1.113 -2.980 1.00 0.00 N ATOM 35 CA CYS A 2 27.392 -1.770 -3.609 1.00 0.00 C ATOM 36 C CYS A 2 26.902 -0.989 -4.820 1.00 0.00 C ATOM 37 O CYS A 2 26.018 -1.449 -5.543 1.00 0.00 O ATOM 38 CB CYS A 2 26.253 -1.951 -2.609 1.00 0.00 C ATOM 39 SG CYS A 2 26.508 -3.332 -1.451 1.00 0.00 S ATOM 0 H CYS A 2 28.287 -0.437 -2.257 1.00 0.00 H new ATOM 0 HA CYS A 2 27.725 -2.752 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.131 -1.029 -2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.324 -2.114 -3.155 1.00 0.00 H new ATOM 44 N GLY A 3 27.474 0.190 -5.044 1.00 0.00 N ATOM 45 CA GLY A 3 27.060 1.022 -6.155 1.00 0.00 C ATOM 46 C GLY A 3 26.006 2.026 -5.725 1.00 0.00 C ATOM 47 O GLY A 3 25.141 1.695 -4.914 1.00 0.00 O ATOM 0 H GLY A 3 28.221 0.584 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.924 1.549 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.665 0.396 -6.955 1.00 0.00 H new ATOM 51 N PRO A 4 26.054 3.269 -6.241 1.00 0.00 N ATOM 52 CA PRO A 4 25.085 4.308 -5.884 1.00 0.00 C ATOM 53 C PRO A 4 23.663 3.765 -5.781 1.00 0.00 C ATOM 54 O PRO A 4 23.180 3.095 -6.694 1.00 0.00 O ATOM 55 CB PRO A 4 25.218 5.297 -7.037 1.00 0.00 C ATOM 56 CG PRO A 4 26.654 5.202 -7.426 1.00 0.00 C ATOM 57 CD PRO A 4 27.046 3.760 -7.219 1.00 0.00 C ATOM 0 HA PRO A 4 25.278 4.746 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.561 5.035 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.954 6.308 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.797 5.500 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.268 5.865 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.005 3.195 -8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.063 3.672 -6.838 1.00 0.00 H new ATOM 65 N PRO A 5 22.975 4.042 -4.656 1.00 0.00 N ATOM 66 CA PRO A 5 21.607 3.569 -4.424 1.00 0.00 C ATOM 67 C PRO A 5 20.694 3.779 -5.627 1.00 0.00 C ATOM 68 O PRO A 5 20.758 4.810 -6.296 1.00 0.00 O ATOM 69 CB PRO A 5 21.142 4.418 -3.243 1.00 0.00 C ATOM 70 CG PRO A 5 22.390 4.709 -2.487 1.00 0.00 C ATOM 71 CD PRO A 5 23.475 4.846 -3.520 1.00 0.00 C ATOM 0 HA PRO A 5 21.575 2.495 -4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.657 5.335 -3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.420 3.882 -2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.289 5.624 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.618 3.907 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.630 5.887 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.429 4.470 -3.152 1.00 0.00 H new ATOM 79 N PRO A 6 19.826 2.793 -5.914 1.00 0.00 N ATOM 80 CA PRO A 6 18.890 2.855 -7.030 1.00 0.00 C ATOM 81 C PRO A 6 17.626 3.616 -6.654 1.00 0.00 C ATOM 82 O PRO A 6 17.517 4.223 -5.590 1.00 0.00 O ATOM 83 CB PRO A 6 18.554 1.380 -7.309 1.00 0.00 C ATOM 84 CG PRO A 6 19.199 0.575 -6.218 1.00 0.00 C ATOM 85 CD PRO A 6 19.681 1.540 -5.171 1.00 0.00 C ATOM 0 HA PRO A 6 19.311 3.374 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.475 1.224 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.928 1.076 -8.287 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.487 -0.131 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.030 -0.010 -6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.967 1.637 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.626 1.220 -4.733 1.00 0.00 H new ATOM 93 N THR A 7 16.677 3.556 -7.583 1.00 0.00 N ATOM 94 CA THR A 7 15.380 4.195 -7.454 1.00 0.00 C ATOM 95 C THR A 7 14.320 3.146 -7.133 1.00 0.00 C ATOM 96 O THR A 7 13.345 3.008 -7.874 1.00 0.00 O ATOM 97 CB THR A 7 15.014 4.903 -8.771 1.00 0.00 C ATOM 98 OG1 THR A 7 13.722 5.513 -8.663 1.00 0.00 O ATOM 99 CG2 THR A 7 15.029 3.930 -9.942 1.00 0.00 C ATOM 0 H THR A 7 16.794 3.051 -8.462 1.00 0.00 H new ATOM 0 HA THR A 7 15.423 4.928 -6.648 1.00 0.00 H new ATOM 0 HB THR A 7 15.763 5.673 -8.956 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.060 4.835 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.767 4.459 -10.858 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.025 3.499 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.306 3.134 -9.763 1.00 0.00 H new ATOM 107 N LEU A 8 14.498 2.403 -6.042 1.00 0.00 N ATOM 108 CA LEU A 8 13.547 1.350 -5.698 1.00 0.00 C ATOM 109 C LEU A 8 12.122 1.840 -5.916 1.00 0.00 C ATOM 110 O LEU A 8 11.711 2.837 -5.334 1.00 0.00 O ATOM 111 CB LEU A 8 13.722 0.930 -4.238 1.00 0.00 C ATOM 112 CG LEU A 8 15.020 0.189 -3.912 1.00 0.00 C ATOM 113 CD1 LEU A 8 16.231 1.090 -4.096 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.969 -0.342 -2.489 1.00 0.00 C ATOM 0 H LEU A 8 15.277 2.508 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 8 13.737 0.491 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.668 1.822 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.882 0.294 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 8 15.118 -0.647 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.138 0.534 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.277 1.431 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.148 1.951 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.896 -0.869 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.846 0.489 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.128 -1.028 -2.387 1.00 0.00 H new ATOM 126 N SER A 9 11.371 1.149 -6.760 1.00 0.00 N ATOM 127 CA SER A 9 9.999 1.548 -7.043 1.00 0.00 C ATOM 128 C SER A 9 9.111 1.413 -5.809 1.00 0.00 C ATOM 129 O SER A 9 8.100 2.105 -5.689 1.00 0.00 O ATOM 130 CB SER A 9 9.432 0.711 -8.192 1.00 0.00 C ATOM 131 OG SER A 9 10.272 0.774 -9.331 1.00 0.00 O ATOM 0 H SER A 9 11.684 0.316 -7.258 1.00 0.00 H new ATOM 0 HA SER A 9 10.011 2.598 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.324 -0.326 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.436 1.070 -8.451 1.00 0.00 H new ATOM 0 HG SER A 9 9.889 0.230 -10.050 1.00 0.00 H new ATOM 137 N PHE A 10 9.494 0.533 -4.887 1.00 0.00 N ATOM 138 CA PHE A 10 8.711 0.321 -3.673 1.00 0.00 C ATOM 139 C PHE A 10 9.026 1.375 -2.615 1.00 0.00 C ATOM 140 O PHE A 10 8.390 1.415 -1.563 1.00 0.00 O ATOM 141 CB PHE A 10 8.975 -1.065 -3.081 1.00 0.00 C ATOM 142 CG PHE A 10 9.178 -2.156 -4.091 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.104 -2.892 -4.564 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.450 -2.462 -4.551 1.00 0.00 C ATOM 145 CE1 PHE A 10 8.293 -3.914 -5.475 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.645 -3.480 -5.465 1.00 0.00 C ATOM 147 CZ PHE A 10 9.566 -4.207 -5.926 1.00 0.00 C ATOM 0 H PHE A 10 10.335 -0.040 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 10 7.662 0.401 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.858 -1.010 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.137 -1.336 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.107 -2.664 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.298 -1.898 -4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.448 -4.482 -5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.640 -3.706 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.717 -5.004 -6.639 1.00 0.00 H new ATOM 157 N ALA A 11 9.997 2.234 -2.897 1.00 0.00 N ATOM 158 CA ALA A 11 10.387 3.265 -1.942 1.00 0.00 C ATOM 159 C ALA A 11 10.937 4.507 -2.628 1.00 0.00 C ATOM 160 O ALA A 11 11.343 4.494 -3.786 1.00 0.00 O ATOM 161 CB ALA A 11 11.436 2.704 -0.993 1.00 0.00 C ATOM 0 H ALA A 11 10.525 2.239 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 11 9.493 3.561 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.729 3.473 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.022 1.850 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.309 2.387 -1.563 1.00 0.00 H new ATOM 167 N ALA A 12 10.924 5.587 -1.860 1.00 0.00 N ATOM 168 CA ALA A 12 11.472 6.852 -2.314 1.00 0.00 C ATOM 169 C ALA A 12 12.461 7.394 -1.288 1.00 0.00 C ATOM 170 O ALA A 12 12.222 7.301 -0.083 1.00 0.00 O ATOM 171 CB ALA A 12 10.357 7.856 -2.565 1.00 0.00 C ATOM 0 H ALA A 12 10.538 5.610 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 12 12.000 6.687 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.786 8.799 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.683 7.468 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.802 8.022 -1.642 1.00 0.00 H new ATOM 177 N PRO A 13 13.588 7.962 -1.747 1.00 0.00 N ATOM 178 CA PRO A 13 14.615 8.507 -0.854 1.00 0.00 C ATOM 179 C PRO A 13 14.023 9.393 0.238 1.00 0.00 C ATOM 180 O PRO A 13 13.038 10.100 0.022 1.00 0.00 O ATOM 181 CB PRO A 13 15.495 9.328 -1.797 1.00 0.00 C ATOM 182 CG PRO A 13 15.352 8.660 -3.119 1.00 0.00 C ATOM 183 CD PRO A 13 13.944 8.130 -3.169 1.00 0.00 C ATOM 0 HA PRO A 13 15.153 7.725 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.168 10.367 -1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.533 9.334 -1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.533 9.363 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.076 7.853 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.271 8.825 -3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.890 7.186 -3.711 1.00 0.00 H new ATOM 191 N MET A 14 14.644 9.341 1.414 1.00 0.00 N ATOM 192 CA MET A 14 14.186 10.135 2.548 1.00 0.00 C ATOM 193 C MET A 14 15.359 10.690 3.350 1.00 0.00 C ATOM 194 O MET A 14 15.183 11.550 4.214 1.00 0.00 O ATOM 195 CB MET A 14 13.286 9.289 3.452 1.00 0.00 C ATOM 196 CG MET A 14 12.650 10.073 4.589 1.00 0.00 C ATOM 197 SD MET A 14 11.866 11.599 4.031 1.00 0.00 S ATOM 198 CE MET A 14 10.677 10.962 2.852 1.00 0.00 C ATOM 0 H MET A 14 15.461 8.761 1.605 1.00 0.00 H new ATOM 0 HA MET A 14 13.616 10.979 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.498 8.840 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.872 8.471 3.870 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.907 9.448 5.084 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.412 10.311 5.331 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.126 11.791 2.407 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.200 10.412 2.069 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.981 10.295 3.361 1.00 0.00 H new ATOM 208 N ASP A 15 16.556 10.197 3.055 1.00 0.00 N ATOM 209 CA ASP A 15 17.757 10.646 3.745 1.00 0.00 C ATOM 210 C ASP A 15 18.961 10.595 2.810 1.00 0.00 C ATOM 211 O ASP A 15 19.155 11.496 1.995 1.00 0.00 O ATOM 212 CB ASP A 15 18.010 9.793 4.993 1.00 0.00 C ATOM 213 CG ASP A 15 19.128 10.345 5.855 1.00 0.00 C ATOM 214 OD1 ASP A 15 20.308 10.166 5.487 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.824 10.957 6.901 1.00 0.00 O ATOM 0 H ASP A 15 16.720 9.486 2.342 1.00 0.00 H new ATOM 0 HA ASP A 15 17.608 11.679 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.095 9.737 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.257 8.776 4.690 1.00 0.00 H new ATOM 220 N ILE A 16 19.757 9.533 2.936 1.00 0.00 N ATOM 221 CA ILE A 16 20.945 9.335 2.108 1.00 0.00 C ATOM 222 C ILE A 16 21.649 10.642 1.803 1.00 0.00 C ATOM 223 O ILE A 16 21.375 11.288 0.791 1.00 0.00 O ATOM 224 CB ILE A 16 20.628 8.613 0.775 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.839 8.660 -0.162 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.409 9.218 0.098 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.637 7.909 -1.459 1.00 0.00 C ATOM 0 H ILE A 16 19.596 8.788 3.614 1.00 0.00 H new ATOM 0 HA ILE A 16 21.605 8.700 2.699 1.00 0.00 H new ATOM 0 HB ILE A 16 20.403 7.571 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.071 9.701 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.704 8.245 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.212 8.690 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.545 9.127 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.595 10.271 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.537 7.988 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.435 6.860 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.793 8.337 -2.000 1.00 0.00 H new ATOM 239 N THR A 17 22.537 11.052 2.692 1.00 0.00 N ATOM 240 CA THR A 17 23.294 12.268 2.463 1.00 0.00 C ATOM 241 C THR A 17 23.978 12.168 1.111 1.00 0.00 C ATOM 242 O THR A 17 24.830 11.305 0.902 1.00 0.00 O ATOM 243 CB THR A 17 24.352 12.512 3.549 1.00 0.00 C ATOM 244 OG1 THR A 17 25.242 11.393 3.628 1.00 0.00 O ATOM 245 CG2 THR A 17 23.699 12.748 4.901 1.00 0.00 C ATOM 0 H THR A 17 22.749 10.569 3.565 1.00 0.00 H new ATOM 0 HA THR A 17 22.599 13.107 2.492 1.00 0.00 H new ATOM 0 HB THR A 17 24.917 13.404 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 25.477 11.097 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 17 24.470 12.918 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 17 23.049 13.621 4.844 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.109 11.874 5.178 1.00 0.00 H new ATOM 253 N LEU A 18 23.593 13.039 0.192 1.00 0.00 N ATOM 254 CA LEU A 18 24.148 13.018 -1.146 1.00 0.00 C ATOM 255 C LEU A 18 25.552 13.610 -1.186 1.00 0.00 C ATOM 256 O LEU A 18 25.912 14.319 -2.126 1.00 0.00 O ATOM 257 CB LEU A 18 23.228 13.772 -2.103 1.00 0.00 C ATOM 258 CG LEU A 18 22.225 12.896 -2.856 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.938 11.744 -3.547 1.00 0.00 C ATOM 260 CD2 LEU A 18 21.158 12.371 -1.908 1.00 0.00 C ATOM 0 H LEU A 18 22.898 13.768 0.351 1.00 0.00 H new ATOM 0 HA LEU A 18 24.223 11.977 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.678 14.525 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 18 23.841 14.304 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 18 21.738 13.506 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.209 11.131 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.665 12.139 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 23.451 11.135 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.453 11.750 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.628 11.777 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.627 13.210 -1.458 1.00 0.00 H new ATOM 272 N THR A 19 26.343 13.304 -0.168 1.00 0.00 N ATOM 273 CA THR A 19 27.709 13.796 -0.085 1.00 0.00 C ATOM 274 C THR A 19 28.687 12.726 -0.554 1.00 0.00 C ATOM 275 O THR A 19 29.818 13.024 -0.940 1.00 0.00 O ATOM 276 CB THR A 19 28.062 14.218 1.352 1.00 0.00 C ATOM 277 OG1 THR A 19 28.245 13.059 2.173 1.00 0.00 O ATOM 278 CG2 THR A 19 26.959 15.087 1.938 1.00 0.00 C ATOM 0 H THR A 19 26.060 12.715 0.615 1.00 0.00 H new ATOM 0 HA THR A 19 27.786 14.669 -0.733 1.00 0.00 H new ATOM 0 HB THR A 19 28.988 14.792 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 19 28.471 13.337 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 19 27.225 15.376 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 19 26.837 15.981 1.327 1.00 0.00 H new ATOM 0 HG23 THR A 19 26.024 14.527 1.953 1.00 0.00 H new ATOM 286 N GLU A 20 28.234 11.476 -0.517 1.00 0.00 N ATOM 287 CA GLU A 20 29.050 10.344 -0.944 1.00 0.00 C ATOM 288 C GLU A 20 28.310 9.524 -1.996 1.00 0.00 C ATOM 289 O GLU A 20 27.152 9.154 -1.803 1.00 0.00 O ATOM 290 CB GLU A 20 29.398 9.457 0.254 1.00 0.00 C ATOM 291 CG GLU A 20 30.283 10.139 1.286 1.00 0.00 C ATOM 292 CD GLU A 20 31.647 10.502 0.735 1.00 0.00 C ATOM 293 OE1 GLU A 20 32.548 9.637 0.763 1.00 0.00 O ATOM 294 OE2 GLU A 20 31.816 11.652 0.276 1.00 0.00 O ATOM 0 H GLU A 20 27.301 11.221 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 20 29.972 10.729 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.475 9.135 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.900 8.559 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.788 11.042 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 20 30.406 9.480 2.146 1.00 0.00 H new ATOM 301 N THR A 21 28.981 9.245 -3.109 1.00 0.00 N ATOM 302 CA THR A 21 28.377 8.469 -4.187 1.00 0.00 C ATOM 303 C THR A 21 28.390 6.981 -3.857 1.00 0.00 C ATOM 304 O THR A 21 27.728 6.181 -4.520 1.00 0.00 O ATOM 305 CB THR A 21 29.109 8.693 -5.523 1.00 0.00 C ATOM 306 OG1 THR A 21 29.487 10.069 -5.651 1.00 0.00 O ATOM 307 CG2 THR A 21 28.223 8.300 -6.695 1.00 0.00 C ATOM 0 H THR A 21 29.940 9.543 -3.288 1.00 0.00 H new ATOM 0 HA THR A 21 27.347 8.812 -4.288 1.00 0.00 H new ATOM 0 HB THR A 21 30.002 8.067 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.953 10.202 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.760 8.466 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.957 7.246 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.317 8.905 -6.685 1.00 0.00 H new ATOM 315 N ARG A 22 29.147 6.618 -2.827 1.00 0.00 N ATOM 316 CA ARG A 22 29.251 5.228 -2.401 1.00 0.00 C ATOM 317 C ARG A 22 28.812 5.086 -0.949 1.00 0.00 C ATOM 318 O ARG A 22 28.718 6.078 -0.226 1.00 0.00 O ATOM 319 CB ARG A 22 30.680 4.726 -2.554 1.00 0.00 C ATOM 320 CG ARG A 22 31.211 4.805 -3.975 1.00 0.00 C ATOM 321 CD ARG A 22 32.598 4.193 -4.084 1.00 0.00 C ATOM 322 NE ARG A 22 33.582 4.920 -3.286 1.00 0.00 N ATOM 323 CZ ARG A 22 34.847 4.535 -3.146 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.280 3.437 -3.751 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.681 5.249 -2.402 1.00 0.00 N ATOM 0 H ARG A 22 29.699 7.270 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 22 28.597 4.628 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.331 5.307 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.730 3.691 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.529 4.287 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.245 5.846 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.562 3.154 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.911 4.188 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 22 33.282 5.771 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.642 2.886 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.251 3.144 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.352 6.095 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.651 4.952 -2.296 1.00 0.00 H new ATOM 339 N PHE A 23 28.551 3.852 -0.519 1.00 0.00 N ATOM 340 CA PHE A 23 28.102 3.574 0.843 1.00 0.00 C ATOM 341 C PHE A 23 28.591 2.188 1.266 1.00 0.00 C ATOM 342 O PHE A 23 28.101 1.172 0.775 1.00 0.00 O ATOM 343 CB PHE A 23 26.573 3.653 0.924 1.00 0.00 C ATOM 344 CG PHE A 23 26.018 4.978 0.482 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.876 5.266 -0.865 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.661 5.941 1.411 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.389 6.486 -1.280 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.172 7.167 1.001 1.00 0.00 C ATOM 349 CZ PHE A 23 25.037 7.440 -0.347 1.00 0.00 C ATOM 0 H PHE A 23 28.645 3.021 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 23 28.518 4.320 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.143 2.864 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.261 3.461 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.151 4.524 -1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.766 5.732 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.283 6.696 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.896 7.911 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.657 8.398 -0.670 1.00 0.00 H new ATOM 359 N LYS A 24 29.567 2.161 2.173 1.00 0.00 N ATOM 360 CA LYS A 24 30.167 0.909 2.647 1.00 0.00 C ATOM 361 C LYS A 24 29.134 -0.155 3.005 1.00 0.00 C ATOM 362 O LYS A 24 27.938 0.117 3.090 1.00 0.00 O ATOM 363 CB LYS A 24 31.061 1.171 3.857 1.00 0.00 C ATOM 364 CG LYS A 24 30.414 2.046 4.918 1.00 0.00 C ATOM 365 CD LYS A 24 31.366 2.322 6.069 1.00 0.00 C ATOM 366 CE LYS A 24 30.670 3.054 7.204 1.00 0.00 C ATOM 367 NZ LYS A 24 31.586 3.302 8.351 1.00 0.00 N ATOM 0 H LYS A 24 29.964 2.999 2.599 1.00 0.00 H new ATOM 0 HA LYS A 24 30.758 0.523 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.339 0.217 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.983 1.645 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.099 2.989 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.516 1.557 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.775 1.381 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.207 2.917 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.281 4.004 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.815 2.469 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.072 3.803 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.937 2.394 8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.389 3.882 8.035 1.00 0.00 H new ATOM 381 N THR A 25 29.626 -1.372 3.230 1.00 0.00 N ATOM 382 CA THR A 25 28.773 -2.502 3.569 1.00 0.00 C ATOM 383 C THR A 25 28.149 -2.349 4.948 1.00 0.00 C ATOM 384 O THR A 25 27.365 -3.192 5.384 1.00 0.00 O ATOM 385 CB THR A 25 29.548 -3.823 3.536 1.00 0.00 C ATOM 386 OG1 THR A 25 30.914 -3.603 3.908 1.00 0.00 O ATOM 387 CG2 THR A 25 29.479 -4.478 2.160 1.00 0.00 C ATOM 0 H THR A 25 30.619 -1.598 3.182 1.00 0.00 H new ATOM 0 HA THR A 25 27.985 -2.519 2.816 1.00 0.00 H new ATOM 0 HB THR A 25 29.084 -4.500 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.443 -3.405 3.107 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.040 -5.413 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.439 -4.682 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.909 -3.808 1.416 1.00 0.00 H new ATOM 395 N GLY A 26 28.502 -1.272 5.629 1.00 0.00 N ATOM 396 CA GLY A 26 27.967 -1.031 6.953 1.00 0.00 C ATOM 397 C GLY A 26 26.916 0.050 6.935 1.00 0.00 C ATOM 398 O GLY A 26 26.242 0.298 7.936 1.00 0.00 O ATOM 0 H GLY A 26 29.149 -0.560 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.537 -1.952 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.775 -0.744 7.626 1.00 0.00 H new ATOM 402 N THR A 27 26.781 0.696 5.786 1.00 0.00 N ATOM 403 CA THR A 27 25.819 1.772 5.598 1.00 0.00 C ATOM 404 C THR A 27 24.386 1.258 5.660 1.00 0.00 C ATOM 405 O THR A 27 24.148 0.050 5.661 1.00 0.00 O ATOM 406 CB THR A 27 26.031 2.468 4.242 1.00 0.00 C ATOM 407 OG1 THR A 27 25.467 3.784 4.270 1.00 0.00 O ATOM 408 CG2 THR A 27 25.390 1.662 3.120 1.00 0.00 C ATOM 0 H THR A 27 27.337 0.488 4.956 1.00 0.00 H new ATOM 0 HA THR A 27 25.981 2.483 6.408 1.00 0.00 H new ATOM 0 HB THR A 27 27.103 2.538 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.129 4.430 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.551 2.170 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.840 0.670 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.320 1.568 3.305 1.00 0.00 H new ATOM 416 N THR A 28 23.440 2.190 5.697 1.00 0.00 N ATOM 417 CA THR A 28 22.023 1.852 5.744 1.00 0.00 C ATOM 418 C THR A 28 21.168 3.075 5.427 1.00 0.00 C ATOM 419 O THR A 28 21.310 4.122 6.060 1.00 0.00 O ATOM 420 CB THR A 28 21.609 1.297 7.121 1.00 0.00 C ATOM 421 OG1 THR A 28 22.399 0.149 7.452 1.00 0.00 O ATOM 422 CG2 THR A 28 20.136 0.917 7.127 1.00 0.00 C ATOM 0 H THR A 28 23.631 3.192 5.695 1.00 0.00 H new ATOM 0 HA THR A 28 21.859 1.079 4.994 1.00 0.00 H new ATOM 0 HB THR A 28 21.776 2.077 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.853 -0.179 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.865 0.528 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.532 1.797 6.906 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.954 0.153 6.371 1.00 0.00 H new ATOM 430 N LEU A 29 20.281 2.939 4.447 1.00 0.00 N ATOM 431 CA LEU A 29 19.422 4.046 4.040 1.00 0.00 C ATOM 432 C LEU A 29 18.073 3.992 4.756 1.00 0.00 C ATOM 433 O LEU A 29 17.829 3.110 5.579 1.00 0.00 O ATOM 434 CB LEU A 29 19.200 4.030 2.522 1.00 0.00 C ATOM 435 CG LEU A 29 20.446 4.278 1.659 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.149 5.564 2.072 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.400 3.099 1.740 1.00 0.00 C ATOM 0 H LEU A 29 20.138 2.077 3.921 1.00 0.00 H new ATOM 0 HA LEU A 29 19.927 4.971 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.777 3.064 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.455 4.786 2.275 1.00 0.00 H new ATOM 0 HG LEU A 29 20.121 4.387 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.028 5.716 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.467 6.406 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.456 5.492 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.275 3.296 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.712 2.954 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.898 2.200 1.383 1.00 0.00 H new ATOM 449 N LYS A 30 17.201 4.946 4.432 1.00 0.00 N ATOM 450 CA LYS A 30 15.872 5.018 5.031 1.00 0.00 C ATOM 451 C LYS A 30 14.804 4.618 4.016 1.00 0.00 C ATOM 452 O LYS A 30 14.344 3.476 4.004 1.00 0.00 O ATOM 453 CB LYS A 30 15.595 6.432 5.548 1.00 0.00 C ATOM 454 CG LYS A 30 14.384 6.525 6.465 1.00 0.00 C ATOM 455 CD LYS A 30 14.607 5.774 7.770 1.00 0.00 C ATOM 456 CE LYS A 30 15.721 6.400 8.593 1.00 0.00 C ATOM 457 NZ LYS A 30 15.942 5.674 9.874 1.00 0.00 N ATOM 0 H LYS A 30 17.394 5.683 3.754 1.00 0.00 H new ATOM 0 HA LYS A 30 15.838 4.322 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.473 6.791 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.447 7.097 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.170 7.572 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.510 6.119 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.684 5.769 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.853 4.734 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.644 6.401 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.475 7.441 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.710 6.133 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.069 5.694 10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.202 4.687 9.673 1.00 0.00 H new ATOM 471 N TYR A 31 14.418 5.570 3.168 1.00 0.00 N ATOM 472 CA TYR A 31 13.413 5.332 2.132 1.00 0.00 C ATOM 473 C TYR A 31 12.041 5.015 2.724 1.00 0.00 C ATOM 474 O TYR A 31 11.928 4.379 3.772 1.00 0.00 O ATOM 475 CB TYR A 31 13.861 4.197 1.207 1.00 0.00 C ATOM 476 CG TYR A 31 14.940 4.604 0.230 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.274 4.653 0.617 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.624 4.941 -1.079 1.00 0.00 C ATOM 479 CE1 TYR A 31 17.261 5.028 -0.275 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.605 5.316 -1.976 1.00 0.00 C ATOM 481 CZ TYR A 31 16.922 5.358 -1.570 1.00 0.00 C ATOM 482 OH TYR A 31 17.901 5.733 -2.460 1.00 0.00 O ATOM 0 H TYR A 31 14.789 6.520 3.178 1.00 0.00 H new ATOM 0 HA TYR A 31 13.318 6.253 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.225 3.368 1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.998 3.830 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.544 4.394 1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.594 4.909 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 31 18.293 5.062 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.342 5.575 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 31 17.494 5.932 -3.329 1.00 0.00 H new ATOM 492 N THR A 32 10.998 5.473 2.034 1.00 0.00 N ATOM 493 CA THR A 32 9.617 5.248 2.459 1.00 0.00 C ATOM 494 C THR A 32 8.790 4.667 1.314 1.00 0.00 C ATOM 495 O THR A 32 9.094 4.895 0.145 1.00 0.00 O ATOM 496 CB THR A 32 8.963 6.553 2.951 1.00 0.00 C ATOM 497 OG1 THR A 32 7.546 6.504 2.742 1.00 0.00 O ATOM 498 CG2 THR A 32 9.550 7.757 2.230 1.00 0.00 C ATOM 0 H THR A 32 11.085 6.007 1.170 1.00 0.00 H new ATOM 0 HA THR A 32 9.642 4.537 3.285 1.00 0.00 H new ATOM 0 HB THR A 32 9.165 6.655 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.139 7.337 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.073 8.667 2.594 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.622 7.808 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.376 7.660 1.158 1.00 0.00 H new ATOM 506 N CYS A 33 7.737 3.924 1.651 1.00 0.00 N ATOM 507 CA CYS A 33 6.890 3.300 0.635 1.00 0.00 C ATOM 508 C CYS A 33 5.640 4.134 0.337 1.00 0.00 C ATOM 509 O CYS A 33 4.888 4.525 1.231 1.00 0.00 O ATOM 510 CB CYS A 33 6.489 1.892 1.081 1.00 0.00 C ATOM 511 SG CYS A 33 7.897 0.829 1.548 1.00 0.00 S ATOM 0 H CYS A 33 7.451 3.740 2.613 1.00 0.00 H new ATOM 0 HA CYS A 33 7.470 3.241 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.810 1.971 1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.936 1.411 0.274 1.00 0.00 H new ATOM 516 N LEU A 34 5.469 4.390 -0.963 1.00 0.00 N ATOM 517 CA LEU A 34 4.359 5.188 -1.488 1.00 0.00 C ATOM 518 C LEU A 34 3.035 4.863 -0.790 1.00 0.00 C ATOM 519 O LEU A 34 2.866 3.779 -0.231 1.00 0.00 O ATOM 520 CB LEU A 34 4.239 4.992 -3.002 1.00 0.00 C ATOM 521 CG LEU A 34 5.505 5.341 -3.793 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.339 4.976 -5.258 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.838 6.818 -3.643 1.00 0.00 C ATOM 0 H LEU A 34 6.102 4.047 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 34 4.578 6.236 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.977 3.953 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.416 5.604 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 34 6.333 4.759 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.248 5.232 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.151 3.906 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.498 5.528 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.739 7.047 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.009 7.418 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.004 7.049 -2.591 1.00 0.00 H new ATOM 535 N PRO A 35 2.076 5.810 -0.826 1.00 0.00 N ATOM 536 CA PRO A 35 0.765 5.656 -0.176 1.00 0.00 C ATOM 537 C PRO A 35 0.008 4.399 -0.603 1.00 0.00 C ATOM 538 O PRO A 35 -0.453 4.290 -1.739 1.00 0.00 O ATOM 539 CB PRO A 35 -0.010 6.912 -0.604 1.00 0.00 C ATOM 540 CG PRO A 35 0.753 7.475 -1.754 1.00 0.00 C ATOM 541 CD PRO A 35 2.187 7.107 -1.511 1.00 0.00 C ATOM 0 HA PRO A 35 0.882 5.549 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.031 6.664 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.076 7.630 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.398 7.063 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.631 8.557 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.748 7.027 -2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.697 7.848 -0.895 1.00 0.00 H new ATOM 549 N GLY A 36 -0.108 3.455 0.327 1.00 0.00 N ATOM 550 CA GLY A 36 -0.828 2.222 0.060 1.00 0.00 C ATOM 551 C GLY A 36 0.083 1.015 0.085 1.00 0.00 C ATOM 552 O GLY A 36 -0.334 -0.085 0.449 1.00 0.00 O ATOM 0 H GLY A 36 0.286 3.523 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.617 2.096 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.313 2.289 -0.914 1.00 0.00 H new ATOM 556 N TYR A 37 1.327 1.234 -0.320 1.00 0.00 N ATOM 557 CA TYR A 37 2.327 0.177 -0.354 1.00 0.00 C ATOM 558 C TYR A 37 2.295 -0.665 0.918 1.00 0.00 C ATOM 559 O TYR A 37 2.970 -0.328 1.892 1.00 0.00 O ATOM 560 CB TYR A 37 3.728 0.783 -0.491 1.00 0.00 C ATOM 561 CG TYR A 37 4.338 0.649 -1.863 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.780 -0.580 -2.335 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.470 1.754 -2.689 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.333 -0.703 -3.595 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.020 1.642 -3.952 1.00 0.00 C ATOM 566 CZ TYR A 37 5.448 0.410 -4.400 1.00 0.00 C ATOM 567 OH TYR A 37 5.993 0.290 -5.658 1.00 0.00 O ATOM 0 H TYR A 37 1.669 2.143 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 37 2.097 -0.458 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.679 1.840 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.388 0.307 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.690 -1.454 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.137 2.720 -2.339 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.673 -1.666 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.114 2.513 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 37 6.664 0.991 -5.792 1.00 0.00 H new ATOM 577 N VAL A 38 1.519 -1.748 0.935 1.00 0.00 N ATOM 578 CA VAL A 38 1.474 -2.633 2.089 1.00 0.00 C ATOM 579 C VAL A 38 2.793 -3.362 2.223 1.00 0.00 C ATOM 580 O VAL A 38 3.746 -3.015 1.538 1.00 0.00 O ATOM 581 CB VAL A 38 0.330 -3.659 1.966 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.014 -2.952 1.908 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.529 -4.537 0.742 1.00 0.00 C ATOM 0 H VAL A 38 0.916 -2.030 0.162 1.00 0.00 H new ATOM 0 HA VAL A 38 1.293 -2.024 2.975 1.00 0.00 H new ATOM 0 HB VAL A 38 0.343 -4.298 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.810 -3.691 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.158 -2.369 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.039 -2.288 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.288 -5.255 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.543 -3.915 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.475 -5.072 0.828 1.00 0.00 H new ATOM 593 N ARG A 39 2.869 -4.363 3.087 1.00 0.00 N ATOM 594 CA ARG A 39 4.124 -5.082 3.249 1.00 0.00 C ATOM 595 C ARG A 39 3.964 -6.400 3.996 1.00 0.00 C ATOM 596 O ARG A 39 2.907 -6.700 4.551 1.00 0.00 O ATOM 597 CB ARG A 39 5.138 -4.193 3.969 1.00 0.00 C ATOM 598 CG ARG A 39 4.566 -3.491 5.191 1.00 0.00 C ATOM 599 CD ARG A 39 5.521 -2.436 5.723 1.00 0.00 C ATOM 600 NE ARG A 39 5.112 -1.933 7.030 1.00 0.00 N ATOM 601 CZ ARG A 39 5.397 -0.711 7.474 1.00 0.00 C ATOM 602 NH1 ARG A 39 6.069 0.136 6.706 1.00 0.00 N ATOM 603 NH2 ARG A 39 5.005 -0.335 8.683 1.00 0.00 N ATOM 0 H ARG A 39 2.100 -4.690 3.672 1.00 0.00 H new ATOM 0 HA ARG A 39 4.481 -5.329 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.990 -4.800 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.513 -3.444 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.615 -3.026 4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.361 -4.224 5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.523 -2.859 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.575 -1.607 5.017 1.00 0.00 H new ATOM 0 HE ARG A 39 4.577 -2.553 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.368 -0.149 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.286 1.072 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.484 -0.982 9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.224 0.602 9.022 1.00 0.00 H new ATOM 617 N SER A 40 5.043 -7.177 3.992 1.00 0.00 N ATOM 618 CA SER A 40 5.080 -8.470 4.656 1.00 0.00 C ATOM 619 C SER A 40 6.341 -8.591 5.509 1.00 0.00 C ATOM 620 O SER A 40 6.381 -9.348 6.478 1.00 0.00 O ATOM 621 CB SER A 40 5.035 -9.593 3.617 1.00 0.00 C ATOM 622 OG SER A 40 5.268 -10.856 4.216 1.00 0.00 O ATOM 0 H SER A 40 5.915 -6.925 3.527 1.00 0.00 H new ATOM 0 HA SER A 40 4.210 -8.556 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.063 -9.596 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.784 -9.409 2.847 1.00 0.00 H new ATOM 0 HG SER A 40 5.232 -11.555 3.530 1.00 0.00 H new ATOM 628 N HIS A 41 7.370 -7.831 5.135 1.00 0.00 N ATOM 629 CA HIS A 41 8.638 -7.834 5.859 1.00 0.00 C ATOM 630 C HIS A 41 8.836 -6.510 6.593 1.00 0.00 C ATOM 631 O HIS A 41 9.440 -6.467 7.665 1.00 0.00 O ATOM 632 CB HIS A 41 9.801 -8.081 4.896 1.00 0.00 C ATOM 633 CG HIS A 41 9.749 -9.420 4.229 1.00 0.00 C ATOM 634 ND1 HIS A 41 9.020 -9.663 3.084 1.00 0.00 N ATOM 635 CD2 HIS A 41 10.338 -10.596 4.554 1.00 0.00 C ATOM 636 CE1 HIS A 41 9.161 -10.929 2.735 1.00 0.00 C ATOM 637 NE2 HIS A 41 9.957 -11.516 3.609 1.00 0.00 N ATOM 0 H HIS A 41 7.348 -7.203 4.331 1.00 0.00 H new ATOM 0 HA HIS A 41 8.614 -8.640 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 41 9.802 -7.303 4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 41 10.740 -7.992 5.442 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.459 -8.973 2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.986 -10.776 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.703 -11.403 1.880 1.00 0.00 H new ATOM 646 N SER A 42 8.331 -5.432 5.994 1.00 0.00 N ATOM 647 CA SER A 42 8.421 -4.094 6.580 1.00 0.00 C ATOM 648 C SER A 42 9.854 -3.564 6.596 1.00 0.00 C ATOM 649 O SER A 42 10.084 -2.393 6.898 1.00 0.00 O ATOM 650 CB SER A 42 7.853 -4.100 7.998 1.00 0.00 C ATOM 651 OG SER A 42 7.832 -2.794 8.547 1.00 0.00 O ATOM 0 H SER A 42 7.851 -5.460 5.095 1.00 0.00 H new ATOM 0 HA SER A 42 7.832 -3.427 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.843 -4.509 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.454 -4.754 8.630 1.00 0.00 H new ATOM 0 HG SER A 42 8.528 -2.250 8.123 1.00 0.00 H new ATOM 657 N THR A 43 10.811 -4.424 6.274 1.00 0.00 N ATOM 658 CA THR A 43 12.213 -4.033 6.250 1.00 0.00 C ATOM 659 C THR A 43 12.457 -2.917 5.238 1.00 0.00 C ATOM 660 O THR A 43 12.672 -3.179 4.055 1.00 0.00 O ATOM 661 CB THR A 43 13.110 -5.229 5.899 1.00 0.00 C ATOM 662 OG1 THR A 43 12.384 -6.169 5.097 1.00 0.00 O ATOM 663 CG2 THR A 43 13.627 -5.913 7.156 1.00 0.00 C ATOM 0 H THR A 43 10.641 -5.399 6.025 1.00 0.00 H new ATOM 0 HA THR A 43 12.463 -3.673 7.248 1.00 0.00 H new ATOM 0 HB THR A 43 13.965 -4.857 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.364 -5.859 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.259 -6.756 6.878 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.208 -5.203 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.785 -6.271 7.748 1.00 0.00 H new ATOM 671 N GLN A 44 12.440 -1.672 5.710 1.00 0.00 N ATOM 672 CA GLN A 44 12.645 -0.524 4.836 1.00 0.00 C ATOM 673 C GLN A 44 14.003 0.122 5.083 1.00 0.00 C ATOM 674 O GLN A 44 14.090 1.252 5.567 1.00 0.00 O ATOM 675 CB GLN A 44 11.526 0.501 5.027 1.00 0.00 C ATOM 676 CG GLN A 44 11.287 0.886 6.479 1.00 0.00 C ATOM 677 CD GLN A 44 10.169 1.897 6.635 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.401 3.106 6.607 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.946 1.406 6.802 1.00 0.00 N ATOM 0 H GLN A 44 12.287 -1.435 6.690 1.00 0.00 H new ATOM 0 HA GLN A 44 12.623 -0.880 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.767 1.399 4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.602 0.099 4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.046 -0.008 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.205 1.297 6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.800 0.397 6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.153 2.038 6.913 1.00 0.00 H new ATOM 688 N THR A 45 15.061 -0.607 4.745 1.00 0.00 N ATOM 689 CA THR A 45 16.420 -0.116 4.919 1.00 0.00 C ATOM 690 C THR A 45 17.346 -0.724 3.875 1.00 0.00 C ATOM 691 O THR A 45 17.293 -1.923 3.611 1.00 0.00 O ATOM 692 CB THR A 45 16.969 -0.434 6.323 1.00 0.00 C ATOM 693 OG1 THR A 45 16.829 -1.832 6.600 1.00 0.00 O ATOM 694 CG2 THR A 45 16.241 0.377 7.383 1.00 0.00 C ATOM 0 H THR A 45 15.001 -1.544 4.347 1.00 0.00 H new ATOM 0 HA THR A 45 16.385 0.967 4.797 1.00 0.00 H new ATOM 0 HB THR A 45 18.025 -0.166 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.182 -2.025 7.494 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.645 0.136 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.377 1.440 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.178 0.137 7.359 1.00 0.00 H new ATOM 702 N LEU A 46 18.203 0.106 3.291 1.00 0.00 N ATOM 703 CA LEU A 46 19.128 -0.361 2.264 1.00 0.00 C ATOM 704 C LEU A 46 20.519 -0.546 2.849 1.00 0.00 C ATOM 705 O LEU A 46 21.186 0.423 3.209 1.00 0.00 O ATOM 706 CB LEU A 46 19.179 0.618 1.093 1.00 0.00 C ATOM 707 CG LEU A 46 17.914 0.663 0.238 1.00 0.00 C ATOM 708 CD1 LEU A 46 18.087 1.627 -0.924 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.567 -0.726 -0.268 1.00 0.00 C ATOM 0 H LEU A 46 18.277 1.100 3.509 1.00 0.00 H new ATOM 0 HA LEU A 46 18.768 -1.322 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.373 1.618 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.023 0.355 0.455 1.00 0.00 H new ATOM 0 HG LEU A 46 17.092 1.020 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.175 1.645 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.289 2.627 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.921 1.302 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.663 -0.677 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.390 -1.109 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.399 -1.390 0.580 1.00 0.00 H new ATOM 721 N THR A 47 20.952 -1.796 2.938 1.00 0.00 N ATOM 722 CA THR A 47 22.272 -2.104 3.476 1.00 0.00 C ATOM 723 C THR A 47 23.169 -2.678 2.398 1.00 0.00 C ATOM 724 O THR A 47 22.695 -3.368 1.495 1.00 0.00 O ATOM 725 CB THR A 47 22.198 -3.122 4.626 1.00 0.00 C ATOM 726 OG1 THR A 47 21.094 -2.816 5.486 1.00 0.00 O ATOM 727 CG2 THR A 47 23.490 -3.115 5.429 1.00 0.00 C ATOM 0 H THR A 47 20.412 -2.611 2.646 1.00 0.00 H new ATOM 0 HA THR A 47 22.681 -1.166 3.852 1.00 0.00 H new ATOM 0 HB THR A 47 22.055 -4.114 4.197 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.055 -3.471 6.214 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.419 -3.842 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.324 -3.377 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.654 -2.121 5.846 1.00 0.00 H new ATOM 735 N CYS A 48 24.463 -2.398 2.482 1.00 0.00 N ATOM 736 CA CYS A 48 25.385 -2.934 1.505 1.00 0.00 C ATOM 737 C CYS A 48 25.868 -4.283 2.010 1.00 0.00 C ATOM 738 O CYS A 48 26.526 -4.375 3.047 1.00 0.00 O ATOM 739 CB CYS A 48 26.553 -1.980 1.259 1.00 0.00 C ATOM 740 SG CYS A 48 27.715 -2.545 -0.022 1.00 0.00 S ATOM 0 H CYS A 48 24.886 -1.814 3.203 1.00 0.00 H new ATOM 0 HA CYS A 48 24.881 -3.055 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.158 -1.005 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.098 -1.841 2.193 1.00 0.00 H new ATOM 745 N ASN A 49 25.525 -5.328 1.276 1.00 0.00 N ATOM 746 CA ASN A 49 25.960 -6.667 1.630 1.00 0.00 C ATOM 747 C ASN A 49 27.146 -7.051 0.756 1.00 0.00 C ATOM 748 O ASN A 49 27.444 -6.366 -0.222 1.00 0.00 O ATOM 749 CB ASN A 49 24.816 -7.676 1.465 1.00 0.00 C ATOM 750 CG ASN A 49 24.463 -7.954 0.014 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.849 -8.975 -0.298 1.00 0.00 O ATOM 752 ND2 ASN A 49 24.850 -7.056 -0.882 1.00 0.00 N ATOM 0 H ASN A 49 24.949 -5.275 0.436 1.00 0.00 H new ATOM 0 HA ASN A 49 26.261 -6.681 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.094 -8.612 1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.932 -7.300 1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 49 24.641 -7.199 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 49 25.357 -6.223 -0.583 1.00 0.00 H new ATOM 759 N SER A 50 27.832 -8.128 1.110 1.00 0.00 N ATOM 760 CA SER A 50 28.976 -8.577 0.324 1.00 0.00 C ATOM 761 C SER A 50 28.473 -9.310 -0.918 1.00 0.00 C ATOM 762 O SER A 50 28.687 -10.511 -1.089 1.00 0.00 O ATOM 763 CB SER A 50 29.882 -9.485 1.159 1.00 0.00 C ATOM 764 OG SER A 50 31.054 -9.835 0.444 1.00 0.00 O ATOM 0 H SER A 50 27.621 -8.703 1.926 1.00 0.00 H new ATOM 0 HA SER A 50 29.565 -7.713 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.155 -8.979 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.339 -10.388 1.438 1.00 0.00 H new ATOM 0 HG SER A 50 31.616 -10.414 1.000 1.00 0.00 H new ATOM 770 N ASP A 51 27.795 -8.552 -1.775 1.00 0.00 N ATOM 771 CA ASP A 51 27.213 -9.057 -3.012 1.00 0.00 C ATOM 772 C ASP A 51 27.166 -7.947 -4.053 1.00 0.00 C ATOM 773 O ASP A 51 26.737 -8.154 -5.188 1.00 0.00 O ATOM 774 CB ASP A 51 25.794 -9.553 -2.753 1.00 0.00 C ATOM 775 CG ASP A 51 25.744 -10.675 -1.732 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.937 -10.396 -0.530 1.00 0.00 O ATOM 777 OD2 ASP A 51 25.514 -11.834 -2.136 1.00 0.00 O ATOM 0 H ASP A 51 27.633 -7.556 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 51 27.828 -9.879 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.181 -8.722 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.358 -9.900 -3.690 1.00 0.00 H new ATOM 782 N GLY A 52 27.618 -6.767 -3.645 1.00 0.00 N ATOM 783 CA GLY A 52 27.607 -5.620 -4.533 1.00 0.00 C ATOM 784 C GLY A 52 26.208 -5.183 -4.924 1.00 0.00 C ATOM 785 O GLY A 52 26.007 -4.461 -5.900 1.00 0.00 O ATOM 0 H GLY A 52 27.992 -6.584 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.119 -4.788 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.171 -5.860 -5.434 1.00 0.00 H new ATOM 789 N GLU A 53 25.248 -5.644 -4.132 1.00 0.00 N ATOM 790 CA GLU A 53 23.849 -5.288 -4.345 1.00 0.00 C ATOM 791 C GLU A 53 23.206 -4.808 -3.050 1.00 0.00 C ATOM 792 O GLU A 53 23.667 -5.137 -1.959 1.00 0.00 O ATOM 793 CB GLU A 53 23.068 -6.483 -4.900 1.00 0.00 C ATOM 794 CG GLU A 53 22.602 -7.459 -3.831 1.00 0.00 C ATOM 795 CD GLU A 53 21.961 -8.702 -4.416 1.00 0.00 C ATOM 796 OE1 GLU A 53 20.815 -8.606 -4.904 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.604 -9.772 -4.388 1.00 0.00 O ATOM 0 H GLU A 53 25.411 -6.264 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 53 23.818 -4.476 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.200 -6.116 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.695 -7.014 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.452 -7.749 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.888 -6.961 -3.176 1.00 0.00 H new ATOM 804 N TRP A 54 22.145 -4.021 -3.176 1.00 0.00 N ATOM 805 CA TRP A 54 21.437 -3.519 -2.018 1.00 0.00 C ATOM 806 C TRP A 54 20.377 -4.505 -1.576 1.00 0.00 C ATOM 807 O TRP A 54 19.407 -4.760 -2.288 1.00 0.00 O ATOM 808 CB TRP A 54 20.758 -2.201 -2.335 1.00 0.00 C ATOM 809 CG TRP A 54 21.708 -1.058 -2.514 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.058 -0.458 -3.689 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.432 -0.381 -1.486 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.953 0.556 -3.450 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.199 0.623 -2.104 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.501 -0.527 -0.101 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.027 1.477 -1.382 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.324 0.320 0.618 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.076 1.312 -0.024 1.00 0.00 C ATOM 0 H TRP A 54 21.760 -3.720 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 54 22.168 -3.376 -1.222 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.168 -2.317 -3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.062 -1.960 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.686 -0.739 -4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.367 1.161 -4.159 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.922 -1.288 0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.609 2.242 -1.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.388 0.215 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.708 1.960 0.565 1.00 0.00 H new ATOM 828 N VAL A 55 20.577 -5.057 -0.393 1.00 0.00 N ATOM 829 CA VAL A 55 19.645 -6.017 0.158 1.00 0.00 C ATOM 830 C VAL A 55 18.689 -5.322 1.105 1.00 0.00 C ATOM 831 O VAL A 55 19.027 -4.295 1.696 1.00 0.00 O ATOM 832 CB VAL A 55 20.347 -7.120 0.943 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.918 -8.168 0.011 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.421 -6.534 1.834 1.00 0.00 C ATOM 0 H VAL A 55 21.379 -4.855 0.204 1.00 0.00 H new ATOM 0 HA VAL A 55 19.118 -6.461 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 55 19.611 -7.612 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.413 -8.943 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.113 -8.613 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 55 21.640 -7.703 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.912 -7.335 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 22.156 -6.012 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 20.969 -5.833 2.536 1.00 0.00 H new ATOM 844 N TYR A 56 17.503 -5.889 1.254 1.00 0.00 N ATOM 845 CA TYR A 56 16.515 -5.312 2.160 1.00 0.00 C ATOM 846 C TYR A 56 15.202 -6.092 2.167 1.00 0.00 C ATOM 847 O TYR A 56 14.231 -5.690 2.808 1.00 0.00 O ATOM 848 CB TYR A 56 16.225 -3.870 1.742 1.00 0.00 C ATOM 849 CG TYR A 56 15.770 -3.754 0.300 1.00 0.00 C ATOM 850 CD1 TYR A 56 16.684 -3.821 -0.747 1.00 0.00 C ATOM 851 CD2 TYR A 56 14.428 -3.590 -0.015 1.00 0.00 C ATOM 852 CE1 TYR A 56 16.274 -3.729 -2.063 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.011 -3.496 -1.331 1.00 0.00 C ATOM 854 CZ TYR A 56 14.937 -3.567 -2.350 1.00 0.00 C ATOM 855 OH TYR A 56 14.525 -3.473 -3.658 1.00 0.00 O ATOM 0 H TYR A 56 17.201 -6.734 0.770 1.00 0.00 H new ATOM 0 HA TYR A 56 16.936 -5.354 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.457 -3.455 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.123 -3.268 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.734 -3.947 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 56 13.698 -3.535 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.998 -3.784 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.963 -3.367 -1.559 1.00 0.00 H new ATOM 0 HH TYR A 56 13.552 -3.363 -3.687 1.00 0.00 H new ATOM 865 N ASN A 57 15.192 -7.208 1.442 1.00 0.00 N ATOM 866 CA ASN A 57 14.011 -8.061 1.341 1.00 0.00 C ATOM 867 C ASN A 57 12.879 -7.329 0.632 1.00 0.00 C ATOM 868 O ASN A 57 13.041 -6.188 0.201 1.00 0.00 O ATOM 869 CB ASN A 57 13.553 -8.522 2.728 1.00 0.00 C ATOM 870 CG ASN A 57 14.619 -9.318 3.456 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.718 -10.535 3.297 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.418 -8.634 4.267 1.00 0.00 N ATOM 0 H ASN A 57 15.996 -7.544 0.912 1.00 0.00 H new ATOM 0 HA ASN A 57 14.280 -8.940 0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.282 -7.652 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.655 -9.131 2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.150 -9.117 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.300 -7.626 4.368 1.00 0.00 H new ATOM 879 N THR A 58 11.731 -7.986 0.512 1.00 0.00 N ATOM 880 CA THR A 58 10.573 -7.391 -0.142 1.00 0.00 C ATOM 881 C THR A 58 9.659 -6.736 0.885 1.00 0.00 C ATOM 882 O THR A 58 8.577 -7.243 1.178 1.00 0.00 O ATOM 883 CB THR A 58 9.771 -8.443 -0.929 1.00 0.00 C ATOM 884 OG1 THR A 58 10.652 -9.217 -1.752 1.00 0.00 O ATOM 885 CG2 THR A 58 8.714 -7.778 -1.799 1.00 0.00 C ATOM 0 H THR A 58 11.578 -8.933 0.860 1.00 0.00 H new ATOM 0 HA THR A 58 10.944 -6.639 -0.838 1.00 0.00 H new ATOM 0 HB THR A 58 9.273 -9.097 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.134 -9.885 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.160 -8.541 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.027 -7.212 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.197 -7.103 -2.506 1.00 0.00 H new ATOM 893 N PHE A 59 10.117 -5.620 1.443 1.00 0.00 N ATOM 894 CA PHE A 59 9.345 -4.884 2.438 1.00 0.00 C ATOM 895 C PHE A 59 7.922 -4.611 1.938 1.00 0.00 C ATOM 896 O PHE A 59 7.050 -5.473 2.044 1.00 0.00 O ATOM 897 CB PHE A 59 10.061 -3.577 2.816 1.00 0.00 C ATOM 898 CG PHE A 59 10.597 -2.764 1.656 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.384 -3.145 0.338 1.00 0.00 C ATOM 900 CD2 PHE A 59 11.320 -1.607 1.897 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.879 -2.393 -0.707 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.819 -0.852 0.856 1.00 0.00 C ATOM 903 CZ PHE A 59 11.598 -1.246 -0.448 1.00 0.00 C ATOM 0 H PHE A 59 11.022 -5.204 1.222 1.00 0.00 H new ATOM 0 HA PHE A 59 9.267 -5.499 3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.368 -2.955 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.890 -3.818 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.823 -4.043 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.495 -1.292 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.703 -2.703 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 59 12.382 0.046 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.988 -0.656 -1.264 1.00 0.00 H new ATOM 913 N CYS A 60 7.682 -3.415 1.403 1.00 0.00 N ATOM 914 CA CYS A 60 6.367 -3.072 0.881 1.00 0.00 C ATOM 915 C CYS A 60 6.107 -3.809 -0.430 1.00 0.00 C ATOM 916 O CYS A 60 6.998 -3.929 -1.270 1.00 0.00 O ATOM 917 CB CYS A 60 6.238 -1.559 0.684 1.00 0.00 C ATOM 918 SG CYS A 60 7.792 -0.721 0.240 1.00 0.00 S ATOM 0 H CYS A 60 8.378 -2.674 1.321 1.00 0.00 H new ATOM 0 HA CYS A 60 5.617 -3.384 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.501 -1.368 -0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.851 -1.117 1.602 1.00 0.00 H new ATOM 923 N ILE A 61 4.880 -4.303 -0.602 1.00 0.00 N ATOM 924 CA ILE A 61 4.527 -5.049 -1.804 1.00 0.00 C ATOM 925 C ILE A 61 3.396 -4.390 -2.594 1.00 0.00 C ATOM 926 O ILE A 61 3.249 -4.642 -3.790 1.00 0.00 O ATOM 927 CB ILE A 61 4.142 -6.501 -1.458 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.031 -6.525 -0.404 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.365 -7.266 -0.967 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.722 -7.910 0.126 1.00 0.00 C ATOM 0 H ILE A 61 4.121 -4.200 0.072 1.00 0.00 H new ATOM 0 HA ILE A 61 5.415 -5.050 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 61 3.767 -6.987 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.319 -5.883 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.124 -6.100 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.081 -8.290 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.126 -7.275 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.764 -6.781 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.926 -7.846 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.402 -8.551 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.615 -8.330 0.588 1.00 0.00 H new ATOM 942 N TYR A 62 2.601 -3.550 -1.931 1.00 0.00 N ATOM 943 CA TYR A 62 1.496 -2.853 -2.601 1.00 0.00 C ATOM 944 C TYR A 62 0.426 -3.806 -3.120 1.00 0.00 C ATOM 945 O TYR A 62 0.683 -4.670 -3.958 1.00 0.00 O ATOM 946 CB TYR A 62 2.015 -2.015 -3.768 1.00 0.00 C ATOM 947 CG TYR A 62 1.246 -0.724 -3.956 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.139 -0.712 -4.071 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.912 0.486 -3.995 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.830 0.476 -4.224 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.236 1.677 -4.142 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.136 1.669 -4.257 1.00 0.00 C ATOM 953 OH TYR A 62 -0.815 2.856 -4.403 1.00 0.00 O ATOM 0 H TYR A 62 2.698 -3.335 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 62 1.042 -2.211 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.067 -1.784 -3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.958 -2.603 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.684 -1.644 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.988 0.498 -3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.906 0.471 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.778 2.611 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.757 3.370 -3.571 1.00 0.00 H new ATOM 963 N LYS A 63 -0.780 -3.620 -2.600 1.00 0.00 N ATOM 964 CA LYS A 63 -1.944 -4.397 -3.001 1.00 0.00 C ATOM 965 C LYS A 63 -3.203 -3.627 -2.625 1.00 0.00 C ATOM 966 O LYS A 63 -3.335 -3.166 -1.491 1.00 0.00 O ATOM 967 CB LYS A 63 -1.937 -5.775 -2.332 1.00 0.00 C ATOM 968 CG LYS A 63 -2.145 -5.730 -0.826 1.00 0.00 C ATOM 969 CD LYS A 63 -2.010 -7.108 -0.203 1.00 0.00 C ATOM 970 CE LYS A 63 -0.568 -7.577 -0.194 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.456 -9.033 0.096 1.00 0.00 N ATOM 0 H LYS A 63 -0.979 -2.921 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.919 -4.554 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.719 -6.389 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.987 -6.266 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.417 -5.054 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.133 -5.326 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.392 -7.086 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.621 -7.820 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.112 -7.364 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.009 -7.015 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.467 -9.382 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.543 -9.191 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.214 -9.545 -0.398 1.00 0.00 H new ATOM 985 N ARG A 64 -4.127 -3.474 -3.567 1.00 0.00 N ATOM 986 CA ARG A 64 -5.357 -2.737 -3.314 1.00 0.00 C ATOM 987 C ARG A 64 -6.578 -3.530 -3.763 1.00 0.00 C ATOM 988 O ARG A 64 -6.490 -4.727 -4.022 1.00 0.00 O ATOM 989 CB ARG A 64 -5.307 -1.386 -4.030 1.00 0.00 C ATOM 990 CG ARG A 64 -4.871 -1.482 -5.481 1.00 0.00 C ATOM 991 CD ARG A 64 -3.785 -0.467 -5.799 1.00 0.00 C ATOM 992 NE ARG A 64 -4.292 0.903 -5.780 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.590 1.956 -6.193 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.359 1.796 -6.658 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.122 3.170 -6.141 1.00 0.00 N ATOM 0 H ARG A 64 -4.047 -3.851 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.444 -2.572 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.293 -0.924 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.622 -0.727 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.504 -2.487 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.729 -1.316 -6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.976 -0.564 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.363 -0.684 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.237 1.062 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.947 0.864 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.824 2.605 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.069 3.297 -5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.584 3.977 -6.457 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.718 -2.856 -3.859 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.954 -3.508 -4.265 1.00 0.00 C ATOM 1011 C CYS A 65 -9.673 -2.696 -5.322 1.00 0.00 C ATOM 1012 O CYS A 65 -9.620 -1.465 -5.315 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.874 -3.695 -3.063 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.240 -4.851 -1.815 1.00 0.00 S ATOM 0 H CYS A 65 -7.811 -1.860 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.696 -4.481 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.041 -2.726 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.843 -4.051 -3.413 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.345 -3.384 -6.235 1.00 0.00 N ATOM 1020 CA ARG A 66 -11.082 -2.698 -7.278 1.00 0.00 C ATOM 1021 C ARG A 66 -12.205 -1.882 -6.654 1.00 0.00 C ATOM 1022 O ARG A 66 -12.885 -2.339 -5.739 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.643 -3.689 -8.302 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.393 -3.024 -9.448 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.533 -1.990 -10.157 1.00 0.00 C ATOM 1026 NE ARG A 66 -12.247 -1.344 -11.255 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.903 -0.168 -11.769 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.856 0.489 -11.288 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.606 0.353 -12.765 1.00 0.00 N ATOM 0 H ARG A 66 -10.393 -4.402 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.401 -2.030 -7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.823 -4.280 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.313 -4.382 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.713 -3.783 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.295 -2.546 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.210 -1.235 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.633 -2.470 -10.542 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.056 -1.823 -11.650 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.313 0.092 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.594 1.392 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.412 -0.149 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.341 1.256 -13.159 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.399 -0.683 -7.169 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.434 0.189 -6.650 1.00 0.00 C ATOM 1045 C HIS A 67 -14.794 -0.500 -6.721 1.00 0.00 C ATOM 1046 O HIS A 67 -15.205 -0.947 -7.793 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.461 1.488 -7.450 1.00 0.00 C ATOM 1048 CG HIS A 67 -12.201 2.286 -7.338 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.226 2.296 -8.313 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.757 3.108 -6.357 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -10.238 3.088 -7.937 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -10.536 3.593 -6.754 1.00 0.00 N ATOM 0 H HIS A 67 -11.858 -0.293 -7.941 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.215 0.416 -5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.642 1.255 -8.499 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -14.299 2.097 -7.110 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.269 3.339 -5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.339 3.288 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.953 4.239 -6.221 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.517 -0.606 -5.585 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.835 -1.239 -5.563 1.00 0.00 C ATOM 1063 C PRO A 68 -17.746 -0.598 -6.595 1.00 0.00 C ATOM 1064 O PRO A 68 -18.766 -1.169 -6.980 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.347 -1.018 -4.136 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.455 0.027 -3.549 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.132 -0.098 -4.259 1.00 0.00 C ATOM 0 HA PRO A 68 -16.800 -2.299 -5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.387 -0.690 -4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.305 -1.940 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.878 1.022 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.336 -0.122 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.618 0.861 -4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.460 -0.784 -3.743 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.370 0.593 -7.041 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.151 1.282 -8.040 1.00 0.00 C ATOM 1077 C GLY A 69 -18.874 2.489 -7.486 1.00 0.00 C ATOM 1078 O GLY A 69 -18.657 2.900 -6.346 1.00 0.00 O ATOM 0 H GLY A 69 -16.537 1.092 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.497 1.597 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.879 0.592 -8.466 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.733 3.048 -8.319 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.506 4.214 -7.941 1.00 0.00 C ATOM 1084 C GLU A 70 -21.732 3.790 -7.140 1.00 0.00 C ATOM 1085 O GLU A 70 -22.425 2.843 -7.508 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.912 5.028 -9.172 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.644 6.318 -8.839 1.00 0.00 C ATOM 1088 CD GLU A 70 -20.803 7.269 -8.011 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -20.859 7.183 -6.766 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -20.086 8.100 -8.607 1.00 0.00 O ATOM 0 H GLU A 70 -19.912 2.711 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.884 4.853 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.019 5.266 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.549 4.414 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -21.940 6.812 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.559 6.082 -8.296 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.005 4.506 -6.055 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.186 4.235 -5.245 1.00 0.00 C ATOM 1099 C LEU A 71 -24.246 5.248 -5.643 1.00 0.00 C ATOM 1100 O LEU A 71 -24.156 6.421 -5.294 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.886 4.340 -3.743 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.299 3.130 -2.881 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.238 3.484 -1.403 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.695 2.636 -3.241 1.00 0.00 C ATOM 0 H LEU A 71 -21.427 5.275 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.527 3.215 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.815 4.501 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.389 5.225 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.593 2.325 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.533 2.619 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.221 3.775 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.917 4.312 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.952 1.783 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.417 3.436 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -24.716 2.335 -4.288 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.219 4.803 -6.417 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.283 5.701 -6.856 1.00 0.00 C ATOM 1118 C ARG A 72 -27.106 6.133 -5.653 1.00 0.00 C ATOM 1119 O ARG A 72 -26.773 7.106 -4.976 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.153 5.043 -7.929 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.323 5.900 -8.381 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.022 5.295 -9.587 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.034 6.190 -10.140 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.589 6.027 -11.337 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.235 5.003 -12.103 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.499 6.889 -11.770 1.00 0.00 N ATOM 0 H ARG A 72 -25.299 3.843 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 72 -25.839 6.587 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.532 4.808 -8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.535 4.097 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.035 6.007 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.969 6.901 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.284 5.064 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.489 4.353 -9.300 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.332 6.986 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.535 4.338 -11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.663 4.881 -13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.774 7.678 -11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.924 6.763 -12.689 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.189 5.424 -5.419 1.00 0.00 N ATOM 1141 CA ASN A 73 -29.038 5.715 -4.270 1.00 0.00 C ATOM 1142 C ASN A 73 -28.174 5.674 -3.010 1.00 0.00 C ATOM 1143 O ASN A 73 -28.682 5.862 -1.906 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.230 4.761 -4.189 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.141 4.876 -5.396 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -32.116 5.626 -5.383 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -30.822 4.136 -6.450 1.00 0.00 N ATOM 0 H ASN A 73 -28.506 4.647 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.469 6.711 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.868 3.736 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.800 4.972 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.395 4.176 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.004 3.527 -6.417 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.877 5.428 -3.170 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.003 5.428 -2.020 1.00 0.00 C ATOM 1156 C GLY A 74 -24.808 6.354 -2.193 1.00 0.00 C ATOM 1157 O GLY A 74 -24.735 7.101 -3.164 1.00 0.00 O ATOM 0 H GLY A 74 -26.425 5.232 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.568 5.731 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.648 4.414 -1.838 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.888 6.339 -1.227 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.685 7.167 -1.301 1.00 0.00 C ATOM 1163 C GLN A 75 -21.482 6.443 -0.694 1.00 0.00 C ATOM 1164 O GLN A 75 -21.063 6.746 0.424 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.906 8.500 -0.583 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.906 9.409 -1.279 1.00 0.00 C ATOM 1167 CD GLN A 75 -24.143 10.701 -0.521 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.440 11.691 -0.724 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -25.139 10.697 0.356 1.00 0.00 N ATOM 0 H GLN A 75 -23.953 5.764 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.478 7.360 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.252 8.303 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.952 9.020 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.545 9.641 -2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.852 8.881 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -25.696 9.853 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -25.348 11.538 0.894 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.944 5.475 -1.434 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.794 4.695 -0.982 1.00 0.00 C ATOM 1180 C VAL A 76 -18.664 5.582 -0.469 1.00 0.00 C ATOM 1181 O VAL A 76 -18.105 6.386 -1.215 1.00 0.00 O ATOM 1182 CB VAL A 76 -19.261 3.778 -2.101 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -19.361 4.455 -3.448 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.831 3.341 -1.813 1.00 0.00 C ATOM 0 H VAL A 76 -21.290 5.211 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.148 4.079 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.884 2.884 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.979 3.787 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.403 4.694 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.773 5.373 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.479 2.695 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -17.189 4.219 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.800 2.795 -0.870 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.334 5.432 0.809 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.263 6.214 1.409 1.00 0.00 C ATOM 1196 C GLU A 77 -15.896 5.675 0.993 1.00 0.00 C ATOM 1197 O GLU A 77 -15.415 4.683 1.542 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.379 6.205 2.934 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.166 6.796 3.634 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.080 8.302 3.484 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.647 9.016 4.337 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.444 8.766 2.515 1.00 0.00 O ATOM 0 H GLU A 77 -18.791 4.779 1.446 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.358 7.239 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.267 6.765 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.522 5.179 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.203 6.542 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.261 6.342 3.229 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.282 6.333 0.016 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.964 5.933 -0.468 1.00 0.00 C ATOM 1211 C ILE A 78 -12.946 7.027 -0.180 1.00 0.00 C ATOM 1212 O ILE A 78 -13.274 8.214 -0.204 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.968 5.621 -1.981 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.727 4.322 -2.254 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.546 5.530 -2.522 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.164 3.116 -1.530 1.00 0.00 C ATOM 0 H ILE A 78 -15.675 7.146 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.691 5.020 0.061 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.475 6.437 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.769 4.454 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.718 4.126 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.576 5.310 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.034 6.479 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.009 4.736 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.757 2.235 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.131 2.956 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.199 3.289 -0.454 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.713 6.623 0.093 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.659 7.574 0.404 1.00 0.00 C ATOM 1230 C LYS A 79 -9.295 6.904 0.389 1.00 0.00 C ATOM 1231 O LYS A 79 -8.349 7.401 -0.223 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.908 8.202 1.783 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.934 7.204 2.939 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.111 6.242 2.847 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.333 5.502 4.157 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.445 4.517 4.058 1.00 0.00 N ATOM 0 H LYS A 79 -11.420 5.646 0.105 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.670 8.352 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.132 8.942 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.858 8.735 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.004 6.636 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.984 7.746 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.013 6.794 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.932 5.523 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.416 4.986 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.554 6.220 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.177 4.749 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.856 4.552 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.079 3.561 4.242 1.00 0.00 H new ATOM 1250 N THR A 80 -9.205 5.774 1.069 1.00 0.00 N ATOM 1251 CA THR A 80 -7.960 5.035 1.167 1.00 0.00 C ATOM 1252 C THR A 80 -7.564 4.383 -0.153 1.00 0.00 C ATOM 1253 O THR A 80 -6.617 3.595 -0.192 1.00 0.00 O ATOM 1254 CB THR A 80 -8.059 3.954 2.256 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.908 2.888 1.814 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.611 4.551 3.543 1.00 0.00 C ATOM 0 H THR A 80 -9.987 5.346 1.565 1.00 0.00 H new ATOM 0 HA THR A 80 -7.188 5.759 1.429 1.00 0.00 H new ATOM 0 HB THR A 80 -7.061 3.561 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.348 2.478 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.676 3.775 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.949 5.345 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.604 4.961 3.357 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.281 4.699 -1.237 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.956 4.117 -2.541 1.00 0.00 C ATOM 1266 C ASP A 81 -8.056 2.601 -2.496 1.00 0.00 C ATOM 1267 O ASP A 81 -7.662 1.910 -3.437 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.533 4.500 -2.923 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.357 5.995 -3.099 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.281 6.708 -2.076 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -6.292 6.453 -4.260 1.00 0.00 O ATOM 0 H ASP A 81 -9.074 5.341 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.666 4.499 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.847 4.146 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.261 3.995 -3.850 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.584 2.098 -1.390 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.733 0.666 -1.184 1.00 0.00 C ATOM 1278 C LEU A 82 -7.357 0.014 -1.123 1.00 0.00 C ATOM 1279 O LEU A 82 -7.091 -0.957 -1.825 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.562 0.046 -2.312 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.029 0.489 -2.392 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.675 0.474 -1.016 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.142 1.870 -3.019 1.00 0.00 C ATOM 0 H LEU A 82 -8.920 2.668 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.254 0.495 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.080 0.281 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.536 -1.038 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.561 -0.220 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.714 0.792 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.636 -0.535 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.139 1.155 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.191 2.164 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.590 2.590 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.726 1.847 -4.026 1.00 0.00 H new ATOM 1295 N SER A 83 -6.493 0.542 -0.263 1.00 0.00 N ATOM 1296 CA SER A 83 -5.132 0.027 -0.125 1.00 0.00 C ATOM 1297 C SER A 83 -5.086 -1.278 0.670 1.00 0.00 C ATOM 1298 O SER A 83 -4.096 -1.552 1.347 1.00 0.00 O ATOM 1299 CB SER A 83 -4.246 1.075 0.554 1.00 0.00 C ATOM 1300 OG SER A 83 -4.764 1.443 1.820 1.00 0.00 O ATOM 0 H SER A 83 -6.710 1.327 0.351 1.00 0.00 H new ATOM 0 HA SER A 83 -4.760 -0.184 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.237 0.680 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.171 1.958 -0.081 1.00 0.00 H new ATOM 0 HG SER A 83 -4.178 2.112 2.232 1.00 0.00 H new ATOM 1306 N PHE A 84 -6.135 -2.096 0.554 1.00 0.00 N ATOM 1307 CA PHE A 84 -6.211 -3.373 1.269 1.00 0.00 C ATOM 1308 C PHE A 84 -6.065 -3.173 2.775 1.00 0.00 C ATOM 1309 O PHE A 84 -5.205 -2.421 3.232 1.00 0.00 O ATOM 1310 CB PHE A 84 -5.129 -4.338 0.771 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.742 -5.376 1.790 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.608 -6.409 2.112 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.518 -5.308 2.436 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.257 -7.357 3.057 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.162 -6.251 3.381 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.032 -7.276 3.691 1.00 0.00 C ATOM 0 H PHE A 84 -6.947 -1.896 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.193 -3.802 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.485 -4.838 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.244 -3.767 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.567 -6.475 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.833 -4.507 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.939 -8.159 3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.204 -6.186 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.756 -8.015 4.429 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.902 -3.849 3.558 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.822 -3.725 4.995 1.00 0.00 C ATOM 1328 C GLY A 85 -7.535 -2.488 5.487 1.00 0.00 C ATOM 1329 O GLY A 85 -7.182 -1.928 6.525 1.00 0.00 O ATOM 0 H GLY A 85 -7.631 -4.478 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.259 -4.608 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.776 -3.688 5.300 1.00 0.00 H new ATOM 1333 N SER A 86 -8.547 -2.058 4.737 1.00 0.00 N ATOM 1334 CA SER A 86 -9.303 -0.872 5.102 1.00 0.00 C ATOM 1335 C SER A 86 -10.802 -1.112 5.076 1.00 0.00 C ATOM 1336 O SER A 86 -11.297 -2.079 4.498 1.00 0.00 O ATOM 1337 CB SER A 86 -8.962 0.298 4.179 1.00 0.00 C ATOM 1338 OG SER A 86 -7.602 0.673 4.307 1.00 0.00 O ATOM 0 H SER A 86 -8.858 -2.513 3.879 1.00 0.00 H new ATOM 0 HA SER A 86 -9.017 -0.627 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.170 0.021 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.600 1.149 4.416 1.00 0.00 H new ATOM 0 HG SER A 86 -7.411 1.422 3.704 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.503 -0.196 5.720 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.950 -0.252 5.804 1.00 0.00 C ATOM 1346 C GLN A 87 -13.549 0.943 5.068 1.00 0.00 C ATOM 1347 O GLN A 87 -13.093 2.074 5.237 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.388 -0.269 7.273 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.893 -0.344 7.475 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.590 0.953 7.123 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.754 0.957 6.723 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.873 2.063 7.266 1.00 0.00 N ATOM 0 H GLN A 87 -11.087 0.604 6.197 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.310 -1.166 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.923 -1.121 7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.011 0.629 7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.299 -1.149 6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.105 -0.596 8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.911 2.009 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.285 2.969 7.041 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.566 0.695 4.248 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.213 1.763 3.493 1.00 0.00 C ATOM 1363 C ILE A 88 -16.718 1.767 3.714 1.00 0.00 C ATOM 1364 O ILE A 88 -17.459 1.026 3.068 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.917 1.659 1.981 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.299 0.279 1.444 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.447 1.944 1.708 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.484 0.247 -0.058 1.00 0.00 C ATOM 0 H ILE A 88 -14.959 -0.233 4.090 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.797 2.699 3.865 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.521 2.405 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.526 -0.437 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.223 -0.046 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.254 1.867 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.202 2.950 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.831 1.220 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.754 -0.762 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.277 0.939 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.554 0.541 -0.545 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.168 2.603 4.641 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.588 2.709 4.933 1.00 0.00 C ATOM 1382 C GLU A 89 -19.327 3.191 3.695 1.00 0.00 C ATOM 1383 O GLU A 89 -18.708 3.510 2.682 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.832 3.683 6.090 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.696 3.735 7.097 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.968 4.698 8.236 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.572 4.272 9.243 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.576 5.879 8.122 1.00 0.00 O ATOM 0 H GLU A 89 -16.572 3.214 5.200 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.958 1.726 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.992 4.682 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.749 3.398 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.529 2.737 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.778 4.030 6.588 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.646 3.235 3.771 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.453 3.700 2.655 1.00 0.00 C ATOM 1397 C PHE A 90 -22.527 4.654 3.160 1.00 0.00 C ATOM 1398 O PHE A 90 -22.527 5.020 4.336 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.080 2.517 1.909 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.073 1.558 1.331 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.612 0.483 2.076 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.593 1.727 0.041 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.692 -0.401 1.544 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.673 0.848 -0.494 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.222 -0.218 0.258 1.00 0.00 C ATOM 0 H PHE A 90 -21.181 2.955 4.593 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.812 4.233 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.734 1.974 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.707 2.899 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.975 0.335 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.944 2.558 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.341 -1.235 2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.307 0.994 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.503 -0.908 -0.158 1.00 0.00 H new ATOM 1415 N SER A 91 -23.445 5.056 2.287 1.00 0.00 N ATOM 1416 CA SER A 91 -24.499 5.982 2.692 1.00 0.00 C ATOM 1417 C SER A 91 -25.675 5.980 1.725 1.00 0.00 C ATOM 1418 O SER A 91 -25.574 6.471 0.605 1.00 0.00 O ATOM 1419 CB SER A 91 -23.950 7.403 2.811 1.00 0.00 C ATOM 1420 OG SER A 91 -22.907 7.476 3.768 1.00 0.00 O ATOM 0 H SER A 91 -23.482 4.762 1.311 1.00 0.00 H new ATOM 0 HA SER A 91 -24.858 5.639 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.579 7.734 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.754 8.083 3.094 1.00 0.00 H new ATOM 0 HG SER A 91 -22.917 6.669 4.325 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.797 5.449 2.185 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.988 5.417 1.345 1.00 0.00 C ATOM 1428 C CYS A 92 -28.772 6.717 1.521 1.00 0.00 C ATOM 1429 O CYS A 92 -29.101 7.117 2.638 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.859 4.195 1.641 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.270 2.649 0.867 1.00 0.00 S ATOM 0 H CYS A 92 -26.910 5.042 3.114 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.676 5.330 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.909 4.051 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.874 4.395 1.299 1.00 0.00 H new ATOM 1436 N SER A 93 -29.032 7.368 0.393 1.00 0.00 N ATOM 1437 CA SER A 93 -29.751 8.647 0.357 1.00 0.00 C ATOM 1438 C SER A 93 -30.925 8.736 1.336 1.00 0.00 C ATOM 1439 O SER A 93 -31.352 7.753 1.932 1.00 0.00 O ATOM 1440 CB SER A 93 -30.271 8.915 -1.056 1.00 0.00 C ATOM 1441 OG SER A 93 -29.208 9.198 -1.949 1.00 0.00 O ATOM 0 H SER A 93 -28.752 7.028 -0.527 1.00 0.00 H new ATOM 0 HA SER A 93 -29.024 9.399 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.827 8.048 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.967 9.754 -1.037 1.00 0.00 H new ATOM 0 HG SER A 93 -29.569 9.364 -2.845 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.436 9.958 1.462 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.570 10.288 2.326 1.00 0.00 C ATOM 1449 C GLU A 94 -33.597 9.164 2.469 1.00 0.00 C ATOM 1450 O GLU A 94 -33.646 8.496 3.502 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.259 11.544 1.786 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.592 11.844 2.447 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.148 13.197 2.051 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.781 13.287 0.978 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.953 14.166 2.814 1.00 0.00 O ATOM 0 H GLU A 94 -31.067 10.764 0.957 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.163 10.453 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.596 12.398 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.414 11.429 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.309 11.068 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.473 11.807 3.530 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.407 8.953 1.446 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.459 7.952 1.530 1.00 0.00 C ATOM 1464 C GLY A 95 -34.972 6.522 1.423 1.00 0.00 C ATOM 1465 O GLY A 95 -35.717 5.592 1.727 1.00 0.00 O ATOM 0 H GLY A 95 -34.359 9.453 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.985 8.074 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.184 8.137 0.737 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.733 6.330 1.001 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.202 4.981 0.843 1.00 0.00 C ATOM 1471 C PHE A 96 -32.219 4.649 1.961 1.00 0.00 C ATOM 1472 O PHE A 96 -31.312 5.423 2.248 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.507 4.841 -0.513 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.321 5.358 -1.664 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.391 4.628 -2.156 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.017 6.575 -2.252 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.142 5.102 -3.214 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.765 7.054 -3.310 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.829 6.317 -3.793 1.00 0.00 C ATOM 0 H PHE A 96 -33.082 7.078 0.764 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.036 4.281 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.558 5.376 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.276 3.790 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.641 3.678 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.186 7.156 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.973 4.523 -3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.518 8.004 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.414 6.689 -4.621 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.413 3.502 2.604 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.517 3.079 3.672 1.00 0.00 C ATOM 1491 C PHE A 97 -30.526 2.050 3.149 1.00 0.00 C ATOM 1492 O PHE A 97 -30.734 1.421 2.112 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.297 2.540 4.878 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.004 1.236 4.643 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.183 1.189 3.918 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.499 0.059 5.172 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.843 -0.009 3.719 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.157 -1.141 4.979 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.331 -1.175 4.251 1.00 0.00 C ATOM 0 H PHE A 97 -33.176 2.854 2.406 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.959 3.950 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.607 2.417 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.032 3.286 5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.591 2.099 3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.581 0.080 5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.759 -0.033 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.754 -2.052 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.847 -2.112 4.099 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.446 1.896 3.903 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.382 0.976 3.531 1.00 0.00 C ATOM 1511 C LEU A 98 -28.680 -0.449 3.969 1.00 0.00 C ATOM 1512 O LEU A 98 -29.218 -0.683 5.050 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.066 1.439 4.140 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.819 0.841 3.495 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.627 1.734 3.761 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.562 -0.566 4.008 1.00 0.00 C ATOM 0 H LEU A 98 -29.284 2.397 4.777 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.310 0.977 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.010 2.525 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.065 1.189 5.201 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.980 0.776 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.739 1.303 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.812 2.722 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.470 1.821 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.668 -0.969 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.418 -0.539 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.416 -1.201 3.772 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.318 -1.395 3.111 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.495 -2.821 3.360 1.00 0.00 C ATOM 1530 C ILE A 99 -27.517 -3.593 2.497 1.00 0.00 C ATOM 1531 O ILE A 99 -27.726 -3.804 1.303 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.915 -3.297 3.002 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.839 -2.102 2.810 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.452 -4.227 4.076 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.109 -2.424 2.055 1.00 0.00 C ATOM 0 H ILE A 99 -27.887 -1.190 2.209 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.325 -2.995 4.423 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.871 -3.852 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.102 -1.698 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.299 -1.320 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.456 -4.553 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.800 -5.096 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.486 -3.700 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.714 -1.522 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.857 -2.799 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.672 -3.183 2.598 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.437 -4.000 3.143 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.374 -4.730 2.488 1.00 0.00 C ATOM 1549 C GLY A 100 -24.074 -4.559 3.235 1.00 0.00 C ATOM 1550 O GLY A 100 -22.995 -4.562 2.640 1.00 0.00 O ATOM 0 H GLY A 100 -26.276 -3.832 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.632 -5.788 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.260 -4.376 1.463 1.00 0.00 H new ATOM 1554 N SER A 101 -24.194 -4.397 4.549 1.00 0.00 N ATOM 1555 CA SER A 101 -23.044 -4.190 5.420 1.00 0.00 C ATOM 1556 C SER A 101 -22.460 -2.806 5.175 1.00 0.00 C ATOM 1557 O SER A 101 -21.887 -2.547 4.118 1.00 0.00 O ATOM 1558 CB SER A 101 -21.979 -5.265 5.182 1.00 0.00 C ATOM 1559 OG SER A 101 -20.969 -5.214 6.174 1.00 0.00 O ATOM 0 H SER A 101 -25.089 -4.406 5.038 1.00 0.00 H new ATOM 0 HA SER A 101 -23.373 -4.264 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.446 -6.250 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.533 -5.127 4.197 1.00 0.00 H new ATOM 0 HG SER A 101 -20.188 -4.737 5.822 1.00 0.00 H new ATOM 1565 N THR A 102 -22.609 -1.911 6.151 1.00 0.00 N ATOM 1566 CA THR A 102 -22.106 -0.550 6.018 1.00 0.00 C ATOM 1567 C THR A 102 -20.595 -0.510 6.190 1.00 0.00 C ATOM 1568 O THR A 102 -20.027 0.516 6.562 1.00 0.00 O ATOM 1569 CB THR A 102 -22.753 0.402 7.041 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.278 0.099 8.359 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.268 0.287 7.010 1.00 0.00 C ATOM 0 H THR A 102 -23.073 -2.106 7.038 1.00 0.00 H new ATOM 0 HA THR A 102 -22.369 -0.215 5.015 1.00 0.00 H new ATOM 0 HB THR A 102 -22.476 1.423 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.692 0.709 9.004 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.700 0.970 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.632 0.544 6.015 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.560 -0.735 7.251 1.00 0.00 H new ATOM 1579 N THR A 103 -19.954 -1.632 5.908 1.00 0.00 N ATOM 1580 CA THR A 103 -18.517 -1.755 6.010 1.00 0.00 C ATOM 1581 C THR A 103 -18.047 -2.692 4.916 1.00 0.00 C ATOM 1582 O THR A 103 -18.769 -3.612 4.532 1.00 0.00 O ATOM 1583 CB THR A 103 -18.088 -2.287 7.385 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.682 -3.568 7.628 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.488 -1.317 8.485 1.00 0.00 C ATOM 0 H THR A 103 -20.422 -2.485 5.601 1.00 0.00 H new ATOM 0 HA THR A 103 -18.064 -0.770 5.895 1.00 0.00 H new ATOM 0 HB THR A 103 -17.003 -2.390 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.400 -3.898 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.175 -1.713 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.006 -0.354 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.570 -1.187 8.480 1.00 0.00 H new ATOM 1593 N SER A 104 -16.847 -2.469 4.405 1.00 0.00 N ATOM 1594 CA SER A 104 -16.299 -3.337 3.381 1.00 0.00 C ATOM 1595 C SER A 104 -14.793 -3.479 3.576 1.00 0.00 C ATOM 1596 O SER A 104 -14.046 -2.508 3.451 1.00 0.00 O ATOM 1597 CB SER A 104 -16.623 -2.795 1.984 1.00 0.00 C ATOM 1598 OG SER A 104 -17.997 -2.958 1.682 1.00 0.00 O ATOM 0 H SER A 104 -16.239 -1.699 4.682 1.00 0.00 H new ATOM 0 HA SER A 104 -16.756 -4.323 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.358 -1.739 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.019 -3.314 1.240 1.00 0.00 H new ATOM 0 HG SER A 104 -18.320 -2.172 1.193 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.354 -4.696 3.886 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.936 -4.984 4.110 1.00 0.00 C ATOM 1606 C ARG A 105 -12.322 -5.631 2.874 1.00 0.00 C ATOM 1607 O ARG A 105 -13.006 -6.312 2.116 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.765 -5.903 5.320 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.449 -5.390 6.577 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.195 -6.305 7.763 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.008 -5.943 8.921 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.230 -6.757 9.949 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.701 -7.974 9.960 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.982 -6.356 10.965 1.00 0.00 N ATOM 0 H ARG A 105 -14.964 -5.507 3.989 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.421 -4.043 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.163 -6.888 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.701 -6.030 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.087 -4.388 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.522 -5.310 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.409 -7.335 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.140 -6.262 8.034 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.429 -5.014 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.123 -8.286 9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.872 -8.597 10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.391 -5.422 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.151 -6.982 11.752 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.024 -5.435 2.690 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.330 -5.975 1.527 1.00 0.00 C ATOM 1630 C CYS A 106 -9.875 -7.417 1.725 1.00 0.00 C ATOM 1631 O CYS A 106 -10.462 -8.344 1.176 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.123 -5.101 1.197 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.444 -3.837 -0.069 1.00 0.00 S ATOM 0 H CYS A 106 -10.430 -4.907 3.329 1.00 0.00 H new ATOM 0 HA CYS A 106 -11.042 -5.972 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.785 -4.609 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.307 -5.740 0.858 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.889 -7.598 2.577 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.353 -8.930 2.830 1.00 0.00 C ATOM 1640 C GLU A 107 -7.724 -9.478 1.544 1.00 0.00 C ATOM 1641 O GLU A 107 -7.851 -8.875 0.481 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.451 -9.875 3.330 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.985 -9.514 4.706 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.885 -9.377 5.742 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.381 -10.418 6.213 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -8.528 -8.229 6.079 1.00 0.00 O ATOM 0 H GLU A 107 -8.441 -6.850 3.106 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.591 -8.862 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.275 -9.870 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.059 -10.892 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.538 -8.577 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.691 -10.279 5.030 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.035 -10.609 1.653 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.394 -11.213 0.483 1.00 0.00 C ATOM 1655 C VAL A 108 -6.651 -12.711 0.369 1.00 0.00 C ATOM 1656 O VAL A 108 -6.551 -13.456 1.345 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.878 -10.969 0.468 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.251 -11.597 -0.778 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.575 -9.482 0.527 1.00 0.00 C ATOM 0 H VAL A 108 -6.905 -11.122 2.525 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.851 -10.719 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.443 -11.440 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.176 -11.416 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.438 -12.671 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.691 -11.152 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.496 -9.330 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.021 -8.985 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.991 -9.062 1.443 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.979 -13.129 -0.853 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.249 -14.534 -1.141 1.00 0.00 C ATOM 1671 C GLN A 109 -7.550 -14.750 -2.618 1.00 0.00 C ATOM 1672 O GLN A 109 -8.255 -15.689 -2.986 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.443 -14.997 -0.316 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.654 -14.106 -0.514 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.865 -14.569 0.271 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.736 -15.188 1.327 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -12.053 -14.268 -0.241 1.00 0.00 N ATOM 0 H GLN A 109 -7.064 -12.511 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.361 -15.111 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.698 -16.021 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.171 -15.009 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.402 -13.088 -0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.905 -14.074 -1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.114 -13.753 -1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.904 -14.552 0.244 1.00 0.00 H new ATOM 1686 N ASP A 110 -7.005 -13.888 -3.459 1.00 0.00 N ATOM 1687 CA ASP A 110 -7.231 -13.986 -4.893 1.00 0.00 C ATOM 1688 C ASP A 110 -6.023 -13.493 -5.684 1.00 0.00 C ATOM 1689 O ASP A 110 -4.953 -14.102 -5.638 1.00 0.00 O ATOM 1690 CB ASP A 110 -8.487 -13.204 -5.290 1.00 0.00 C ATOM 1691 CG ASP A 110 -9.748 -13.789 -4.687 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -10.239 -14.812 -5.211 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -10.248 -13.224 -3.691 1.00 0.00 O ATOM 0 H ASP A 110 -6.404 -13.114 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.379 -15.038 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.382 -12.167 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.578 -13.195 -6.376 1.00 0.00 H new ATOM 1698 N ARG A 111 -6.195 -12.393 -6.409 1.00 0.00 N ATOM 1699 CA ARG A 111 -5.123 -11.837 -7.210 1.00 0.00 C ATOM 1700 C ARG A 111 -4.248 -10.907 -6.394 1.00 0.00 C ATOM 1701 O ARG A 111 -3.996 -9.765 -6.781 1.00 0.00 O ATOM 1702 CB ARG A 111 -5.693 -11.108 -8.427 1.00 0.00 C ATOM 1703 CG ARG A 111 -5.812 -11.981 -9.667 1.00 0.00 C ATOM 1704 CD ARG A 111 -4.445 -12.368 -10.209 1.00 0.00 C ATOM 1705 NE ARG A 111 -4.544 -13.265 -11.357 1.00 0.00 N ATOM 1706 CZ ARG A 111 -3.515 -13.578 -12.139 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -2.316 -13.062 -11.901 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -3.684 -14.406 -13.161 1.00 0.00 N ATOM 0 H ARG A 111 -7.070 -11.872 -6.455 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.499 -12.662 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.678 -10.715 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.058 -10.252 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.377 -12.881 -9.427 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -6.372 -11.449 -10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.902 -11.468 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.866 -12.850 -9.421 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.453 -13.674 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.182 -12.424 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.528 -13.304 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.604 -14.804 -13.348 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.894 -14.645 -13.760 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.784 -11.409 -5.262 1.00 0.00 N ATOM 1723 CA GLY A 112 -2.934 -10.619 -4.406 1.00 0.00 C ATOM 1724 C GLY A 112 -3.746 -9.906 -3.364 1.00 0.00 C ATOM 1725 O GLY A 112 -3.205 -9.354 -2.405 1.00 0.00 O ATOM 0 H GLY A 112 -3.982 -12.350 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.197 -11.261 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.382 -9.893 -5.003 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.061 -9.913 -3.565 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.978 -9.281 -2.635 1.00 0.00 C ATOM 1731 C VAL A 113 -7.434 -9.519 -3.026 1.00 0.00 C ATOM 1732 O VAL A 113 -7.815 -9.456 -4.196 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.702 -7.773 -2.504 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.131 -7.239 -3.805 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.957 -7.017 -2.101 1.00 0.00 C ATOM 0 H VAL A 113 -5.512 -10.352 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.807 -9.746 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.967 -7.620 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.938 -6.171 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.199 -7.757 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.845 -7.405 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.730 -5.954 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.729 -7.164 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.313 -7.389 -1.141 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.218 -9.793 -2.007 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.628 -10.047 -2.254 1.00 0.00 C ATOM 1747 C GLY A 114 -10.511 -8.932 -1.737 1.00 0.00 C ATOM 1748 O GLY A 114 -10.071 -8.115 -0.941 1.00 0.00 O ATOM 0 H GLY A 114 -7.923 -9.846 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.791 -10.170 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.915 -10.985 -1.778 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.729 -8.841 -2.268 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.695 -7.851 -1.812 1.00 0.00 C ATOM 1754 C TRP A 115 -13.804 -8.528 -1.014 1.00 0.00 C ATOM 1755 O TRP A 115 -14.703 -9.140 -1.591 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.313 -7.102 -3.000 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.243 -5.609 -2.886 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.970 -4.728 -3.891 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.451 -4.818 -1.709 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.992 -3.441 -3.409 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.285 -3.470 -2.076 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.760 -5.116 -0.380 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.417 -2.426 -1.166 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.892 -4.078 0.521 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.721 -2.747 0.125 1.00 0.00 C ATOM 0 H TRP A 115 -12.068 -9.445 -3.017 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.170 -7.136 -1.178 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.805 -7.410 -3.914 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.357 -7.399 -3.100 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.766 -5.002 -4.916 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.818 -2.600 -3.959 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.893 -6.140 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.284 -1.398 -1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.132 -4.298 1.551 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.832 -1.959 0.855 1.00 0.00 H new ATOM 1776 N SER A 116 -13.736 -8.427 0.312 1.00 0.00 N ATOM 1777 CA SER A 116 -14.746 -9.045 1.168 1.00 0.00 C ATOM 1778 C SER A 116 -16.159 -8.675 0.715 1.00 0.00 C ATOM 1779 O SER A 116 -16.988 -9.552 0.472 1.00 0.00 O ATOM 1780 CB SER A 116 -14.544 -8.640 2.629 1.00 0.00 C ATOM 1781 OG SER A 116 -15.503 -9.260 3.467 1.00 0.00 O ATOM 0 H SER A 116 -13.000 -7.929 0.813 1.00 0.00 H new ATOM 0 HA SER A 116 -14.629 -10.125 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.541 -8.918 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.620 -7.557 2.723 1.00 0.00 H new ATOM 0 HG SER A 116 -16.364 -8.800 3.375 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.429 -7.374 0.599 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.748 -6.899 0.177 1.00 0.00 C ATOM 1789 C HIS A 117 -17.639 -5.599 -0.625 1.00 0.00 C ATOM 1790 O HIS A 117 -16.792 -4.754 -0.337 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.650 -6.686 1.395 1.00 0.00 C ATOM 1792 CG HIS A 117 -18.962 -7.948 2.139 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -18.483 -8.216 3.404 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -19.711 -9.022 1.789 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -18.922 -9.398 3.799 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -19.670 -9.906 2.838 1.00 0.00 N ATOM 0 H HIS A 117 -15.755 -6.633 0.790 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.188 -7.661 -0.466 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.168 -5.983 2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.583 -6.226 1.070 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.241 -9.157 0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -18.705 -9.868 4.747 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -20.142 -10.810 2.870 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.499 -5.426 -1.649 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.514 -4.247 -2.502 1.00 0.00 C ATOM 1807 C PRO A 118 -19.622 -3.265 -2.124 1.00 0.00 C ATOM 1808 O PRO A 118 -19.841 -2.979 -0.947 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.814 -4.886 -3.847 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.829 -5.928 -3.512 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.533 -6.377 -2.092 1.00 0.00 C ATOM 0 HA PRO A 118 -17.599 -3.657 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.203 -4.159 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.921 -5.323 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.839 -5.525 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.767 -6.767 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.421 -6.330 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.174 -7.406 -2.061 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.320 -2.762 -3.138 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.405 -1.816 -2.945 1.00 0.00 C ATOM 1821 C LEU A 119 -22.591 -2.436 -2.208 1.00 0.00 C ATOM 1822 O LEU A 119 -22.824 -3.643 -2.289 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.860 -1.291 -4.303 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.901 -0.310 -4.979 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -21.605 0.427 -6.107 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.352 0.670 -3.958 1.00 0.00 C ATOM 0 H LEU A 119 -20.147 -3.001 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.030 -1.000 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.015 -2.140 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.827 -0.802 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 119 -20.068 -0.869 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.909 1.121 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.957 -0.292 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.454 0.980 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.670 1.364 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.175 1.226 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -19.816 0.124 -3.181 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.360 -1.603 -1.475 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.532 -2.040 -0.726 1.00 0.00 C ATOM 1840 C PRO A 120 -25.827 -1.878 -1.518 1.00 0.00 C ATOM 1841 O PRO A 120 -25.804 -1.554 -2.706 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.515 -1.086 0.461 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.991 0.199 -0.100 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.135 -0.157 -1.298 1.00 0.00 C ATOM 0 HA PRO A 120 -24.498 -3.098 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.512 -0.958 0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -23.876 -1.459 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.811 0.855 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.405 0.735 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.432 0.405 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.083 0.065 -1.118 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.957 -2.103 -0.850 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.265 -1.984 -1.488 1.00 0.00 C ATOM 1854 C GLN A 121 -29.062 -0.809 -0.921 1.00 0.00 C ATOM 1855 O GLN A 121 -29.389 -0.787 0.267 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.059 -3.277 -1.298 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.225 -3.426 -2.260 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.949 -4.750 -2.102 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -32.154 -4.842 -2.333 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.214 -5.785 -1.709 1.00 0.00 N ATOM 0 H GLN A 121 -26.992 -2.369 0.134 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.100 -1.803 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.387 -4.127 -1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.436 -3.314 -0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.930 -2.610 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.860 -3.336 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.217 -5.664 -1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.646 -6.701 -1.588 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.373 0.165 -1.775 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.151 1.312 -1.322 1.00 0.00 C ATOM 1871 C CYS A 122 -31.621 1.159 -1.715 1.00 0.00 C ATOM 1872 O CYS A 122 -31.978 1.246 -2.890 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.580 2.615 -1.875 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.021 3.141 -1.088 1.00 0.00 S ATOM 0 H CYS A 122 -29.106 0.183 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.088 1.351 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.413 2.500 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.321 3.405 -1.751 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.463 0.924 -0.712 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.897 0.739 -0.929 1.00 0.00 C ATOM 1881 C GLU A 123 -34.696 1.747 -0.113 1.00 0.00 C ATOM 1882 O GLU A 123 -34.308 2.142 0.985 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.311 -0.686 -0.550 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.801 -0.954 -0.700 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.243 -1.007 -2.150 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.485 0.069 -2.736 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.350 -2.124 -2.697 1.00 0.00 O ATOM 0 H GLU A 123 -32.176 0.857 0.264 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.108 0.900 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.760 -1.392 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.019 -0.876 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.047 -1.899 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.360 -0.175 -0.182 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.830 2.145 -0.686 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.708 3.128 -0.067 1.00 0.00 C ATOM 1896 C ILE A 124 -37.333 2.584 1.216 1.00 0.00 C ATOM 1897 O ILE A 124 -37.699 1.412 1.294 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.828 3.554 -1.041 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.640 4.714 -0.459 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.736 2.375 -1.362 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.880 6.022 -0.412 1.00 0.00 C ATOM 0 H ILE A 124 -36.162 1.797 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.097 3.996 0.181 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.363 3.893 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.543 4.849 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.960 4.453 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.519 2.695 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.150 1.580 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.190 2.004 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.517 6.798 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.991 5.904 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.583 6.307 -1.421 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.444 3.447 2.220 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.026 3.066 3.502 1.00 0.00 C ATOM 1915 C LEU A 125 -39.511 2.749 3.355 1.00 0.00 C ATOM 1916 O LEU A 125 -39.931 1.602 3.508 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.835 4.188 4.524 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.398 4.398 5.007 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.287 5.699 5.785 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.946 3.225 5.862 1.00 0.00 C ATOM 0 H LEU A 125 -37.137 4.419 2.170 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.514 2.170 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.193 5.120 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.464 3.979 5.389 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.745 4.459 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.259 5.835 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.571 6.532 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.951 5.664 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.922 3.392 6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.600 3.133 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.991 2.308 5.275 1.00 0.00 H new ATOM 1932 N GLU A 126 -40.300 3.777 3.056 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.740 3.616 2.891 1.00 0.00 C ATOM 1934 C GLU A 126 -42.351 4.849 2.231 1.00 0.00 C ATOM 1935 O GLU A 126 -43.391 4.765 1.576 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.400 3.368 4.249 1.00 0.00 C ATOM 1937 CG GLU A 126 -43.899 3.128 4.168 1.00 0.00 C ATOM 1938 CD GLU A 126 -44.538 2.975 5.534 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -44.527 1.848 6.072 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -45.049 3.984 6.067 1.00 0.00 O ATOM 0 H GLU A 126 -39.965 4.731 2.923 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.917 2.756 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.928 2.505 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -42.213 4.226 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -44.369 3.959 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -44.089 2.230 3.579 1.00 0.00 H new ATOM 1947 N HIS A 127 -41.698 5.993 2.409 1.00 0.00 N ATOM 1948 CA HIS A 127 -42.173 7.248 1.837 1.00 0.00 C ATOM 1949 C HIS A 127 -41.915 7.298 0.334 1.00 0.00 C ATOM 1950 O HIS A 127 -40.827 6.956 -0.130 1.00 0.00 O ATOM 1951 CB HIS A 127 -41.492 8.433 2.525 1.00 0.00 C ATOM 1952 CG HIS A 127 -42.003 9.765 2.072 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -43.108 10.376 2.628 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -41.557 10.606 1.109 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -43.319 11.532 2.026 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -42.393 11.696 1.101 1.00 0.00 N ATOM 0 H HIS A 127 -40.835 6.077 2.947 1.00 0.00 H new ATOM 0 HA HIS A 127 -43.249 7.309 2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -41.633 8.347 3.602 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -40.419 8.383 2.339 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -40.703 10.449 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -44.115 12.226 2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -42.311 12.501 0.481 1.00 0.00 H new ATOM 1965 N HIS A 128 -42.921 7.728 -0.423 1.00 0.00 N ATOM 1966 CA HIS A 128 -42.801 7.825 -1.873 1.00 0.00 C ATOM 1967 C HIS A 128 -41.861 8.962 -2.265 1.00 0.00 C ATOM 1968 O HIS A 128 -42.058 10.110 -1.864 1.00 0.00 O ATOM 1969 CB HIS A 128 -44.177 8.043 -2.508 1.00 0.00 C ATOM 1970 CG HIS A 128 -44.149 8.069 -4.005 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -44.153 9.237 -4.739 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -44.118 7.060 -4.908 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -44.127 8.946 -6.027 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -44.104 7.632 -6.157 1.00 0.00 N ATOM 0 H HIS A 128 -43.828 8.015 -0.055 1.00 0.00 H new ATOM 0 HA HIS A 128 -42.384 6.888 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -44.849 7.251 -2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -44.591 8.983 -2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -44.106 6.003 -4.687 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -44.125 9.661 -6.836 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -44.080 7.124 -7.041 1.00 0.00 H new ATOM 1983 N HIS A 129 -40.843 8.635 -3.053 1.00 0.00 N ATOM 1984 CA HIS A 129 -39.866 9.624 -3.495 1.00 0.00 C ATOM 1985 C HIS A 129 -40.514 10.680 -4.387 1.00 0.00 C ATOM 1986 O HIS A 129 -41.476 10.401 -5.102 1.00 0.00 O ATOM 1987 CB HIS A 129 -38.725 8.937 -4.248 1.00 0.00 C ATOM 1988 CG HIS A 129 -39.155 8.291 -5.529 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -39.739 7.043 -5.584 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -39.087 8.728 -6.809 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -40.009 6.740 -6.841 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -39.624 7.746 -7.604 1.00 0.00 N ATOM 0 H HIS A 129 -40.672 7.691 -3.400 1.00 0.00 H new ATOM 0 HA HIS A 129 -39.468 10.122 -2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -37.949 9.672 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -38.278 8.181 -3.602 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -38.685 9.673 -7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -40.467 5.825 -7.186 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -39.711 7.787 -8.619 1.00 0.00 H new ATOM 2001 N HIS A 130 -39.977 11.896 -4.336 1.00 0.00 N ATOM 2002 CA HIS A 130 -40.489 12.998 -5.142 1.00 0.00 C ATOM 2003 C HIS A 130 -39.340 13.734 -5.825 1.00 0.00 C ATOM 2004 O HIS A 130 -38.224 13.776 -5.307 1.00 0.00 O ATOM 2005 CB HIS A 130 -41.296 13.969 -4.275 1.00 0.00 C ATOM 2006 CG HIS A 130 -41.928 15.085 -5.051 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -41.312 16.303 -5.255 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -43.130 15.165 -5.672 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -42.108 17.082 -5.967 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -43.215 16.415 -6.232 1.00 0.00 N ATOM 0 H HIS A 130 -39.185 12.143 -3.743 1.00 0.00 H new ATOM 0 HA HIS A 130 -41.147 12.587 -5.907 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -42.075 13.414 -3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -40.641 14.393 -3.513 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -43.881 14.390 -5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -41.889 18.093 -6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -44.007 16.771 -6.767 1.00 0.00 H new ATOM 2019 N HIS A 131 -39.621 14.309 -6.990 1.00 0.00 N ATOM 2020 CA HIS A 131 -38.612 15.038 -7.751 1.00 0.00 C ATOM 2021 C HIS A 131 -37.914 16.085 -6.887 1.00 0.00 C ATOM 2022 O HIS A 131 -36.707 16.006 -6.657 1.00 0.00 O ATOM 2023 CB HIS A 131 -39.253 15.705 -8.968 1.00 0.00 C ATOM 2024 CG HIS A 131 -39.890 14.731 -9.910 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -41.237 14.434 -9.889 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -39.356 13.979 -10.901 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -41.503 13.540 -10.824 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -40.380 13.249 -11.453 1.00 0.00 N ATOM 0 H HIS A 131 -40.542 14.284 -7.429 1.00 0.00 H new ATOM 0 HA HIS A 131 -37.861 14.323 -8.086 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -40.005 16.417 -8.629 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -38.493 16.274 -9.504 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -38.319 13.957 -11.201 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -42.474 13.119 -11.037 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -40.287 12.588 -12.225 1.00 0.00 H new ATOM 2037 N HIS A 132 -38.680 17.062 -6.410 1.00 0.00 N ATOM 2038 CA HIS A 132 -38.129 18.123 -5.574 1.00 0.00 C ATOM 2039 C HIS A 132 -38.930 18.272 -4.285 1.00 0.00 C ATOM 2040 O HIS A 132 -39.854 19.112 -4.255 1.00 0.00 O ATOM 2041 CB HIS A 132 -38.121 19.448 -6.342 1.00 0.00 C ATOM 2042 CG HIS A 132 -37.383 20.545 -5.641 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -36.059 20.838 -5.888 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -37.791 21.429 -4.700 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -35.684 21.853 -5.131 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -36.718 22.230 -4.400 1.00 0.00 N ATOM 2047 OXT HIS A 132 -38.628 17.545 -3.314 1.00 0.00 O ATOM 0 H HIS A 132 -39.681 17.141 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 132 -37.105 17.854 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -37.671 19.287 -7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -39.150 19.765 -6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -38.778 21.492 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -34.700 22.299 -5.113 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -36.719 22.993 -3.723 1.00 0.00 H new TER 2056 HIS A 132