USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 938 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 70 MET CE :methyl 177:sc= -1.78 (180deg=-0.134) USER MOD Set 1.2: A 72 GLN : amide:sc= -2.45 K(o=-4.2,f=-5.5!) USER MOD Set 2.1: A 60 SER OG : rot -51:sc= 0.194 USER MOD Set 2.2: A 64 THR OG1 : rot 148:sc= 0.119 USER MOD Set 3.1: A 30 THR OG1 : rot 89:sc= 1.23 USER MOD Set 3.2: A 48 GLN : amide:sc= -7.97! C(o=-6.7!,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.567 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -13.4! C(o=-13!,f=-21!) USER MOD Single : A 18 HIS : no HD1:sc= -14.6! C(o=-15!,f=-12!) USER MOD Single : A 19 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.9!) USER MOD Single : A 23 TYR OH : rot 44:sc= -0.32 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.29! K(o=-2.3!,f=0) USER MOD Single : A 39 THR OG1 : rot 107:sc= 0.545 USER MOD Single : A 40 SER OG : rot -51:sc= 1.04 USER MOD Single : A 47 GLN : amide:sc= -2.95! C(o=-3!,f=-2.8!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -4.03 K(o=-4,f=-9.4!) USER MOD Single : A 65 SER OG : rot -36:sc= 0.777 USER MOD Single : A 66 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.8!) USER MOD Single : A 74 TYR OH : rot 108:sc= 0.283 USER MOD Single : A 79 TYR OH : rot -114:sc= -0.583 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0181 X(o=-0.018,f=0.33) USER MOD Single : A 83 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0967 K(o=-0.097,f=-2) USER MOD Single : A 90 GLN : amide:sc= -0.0475 K(o=-0.048,f=-0.55) USER MOD Single : A 91 HIS : no HD1:sc= -14.8! C(o=-15!,f=-12!) USER MOD Single : A 92 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-4.5!) USER MOD Single : A 94 MET CE :methyl -136:sc= -0.147 (180deg=-3.77!) USER MOD Single : A 99 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.65) USER MOD Single : A 104 LYS NZ :NH3+ -127:sc= -0.434 (180deg=-2.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.574 K(o=-0.57,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.076 3.096 -16.143 1.00 0.00 N ATOM 2 CA GLY A 1 -27.319 1.856 -16.132 1.00 0.00 C ATOM 3 C GLY A 1 -25.983 2.036 -15.409 1.00 0.00 C ATOM 4 O GLY A 1 -25.947 2.488 -14.266 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.978 2.948 -16.639 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.264 3.397 -15.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.529 3.833 -16.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.900 1.075 -15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.141 1.525 -17.155 1.00 0.00 H new ATOM 8 N SER A 2 -24.916 1.671 -16.105 1.00 0.00 N ATOM 9 CA SER A 2 -23.581 1.785 -15.543 1.00 0.00 C ATOM 10 C SER A 2 -22.534 1.648 -16.651 1.00 0.00 C ATOM 11 O SER A 2 -21.859 0.624 -16.748 1.00 0.00 O ATOM 12 CB SER A 2 -23.347 0.731 -14.459 1.00 0.00 C ATOM 13 OG SER A 2 -23.628 1.235 -13.156 1.00 0.00 O ATOM 0 H SER A 2 -24.949 1.296 -17.053 1.00 0.00 H new ATOM 0 HA SER A 2 -23.487 2.768 -15.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.976 -0.137 -14.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.312 0.391 -14.501 1.00 0.00 H new ATOM 0 HG SER A 2 -24.449 1.770 -13.182 1.00 0.00 H new ATOM 19 N MET A 3 -22.431 2.695 -17.456 1.00 0.00 N ATOM 20 CA MET A 3 -21.476 2.705 -18.552 1.00 0.00 C ATOM 21 C MET A 3 -20.934 4.114 -18.794 1.00 0.00 C ATOM 22 O MET A 3 -21.650 4.983 -19.287 1.00 0.00 O ATOM 23 CB MET A 3 -22.154 2.193 -19.824 1.00 0.00 C ATOM 24 CG MET A 3 -23.624 2.614 -19.869 1.00 0.00 C ATOM 25 SD MET A 3 -24.404 1.953 -21.333 1.00 0.00 S ATOM 26 CE MET A 3 -24.263 3.361 -22.421 1.00 0.00 C ATOM 0 H MET A 3 -22.993 3.542 -17.372 1.00 0.00 H new ATOM 0 HA MET A 3 -20.641 2.056 -18.288 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.634 2.582 -20.699 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.082 1.106 -19.867 1.00 0.00 H new ATOM 0 HG2 MET A 3 -24.141 2.256 -18.979 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.700 3.701 -19.866 1.00 0.00 H new ATOM 0 HE1 MET A 3 -24.704 3.119 -23.388 1.00 0.00 H new ATOM 0 HE2 MET A 3 -24.787 4.211 -21.985 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.211 3.613 -22.555 1.00 0.00 H new ATOM 36 N ALA A 4 -19.671 4.297 -18.436 1.00 0.00 N ATOM 37 CA ALA A 4 -19.024 5.587 -18.607 1.00 0.00 C ATOM 38 C ALA A 4 -17.506 5.398 -18.594 1.00 0.00 C ATOM 39 O ALA A 4 -17.005 4.410 -18.059 1.00 0.00 O ATOM 40 CB ALA A 4 -19.501 6.548 -17.516 1.00 0.00 C ATOM 0 H ALA A 4 -19.079 3.573 -18.028 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.293 6.026 -19.568 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.015 7.515 -17.645 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.582 6.672 -17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.247 6.142 -16.537 1.00 0.00 H new ATOM 46 N GLY A 5 -16.816 6.359 -19.188 1.00 0.00 N ATOM 47 CA GLY A 5 -15.365 6.311 -19.250 1.00 0.00 C ATOM 48 C GLY A 5 -14.746 6.663 -17.896 1.00 0.00 C ATOM 49 O GLY A 5 -13.998 7.632 -17.783 1.00 0.00 O ATOM 0 H GLY A 5 -17.235 7.177 -19.631 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.043 5.315 -19.553 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.007 7.006 -20.009 1.00 0.00 H new ATOM 53 N GLU A 6 -15.083 5.855 -16.900 1.00 0.00 N ATOM 54 CA GLU A 6 -14.570 6.069 -15.557 1.00 0.00 C ATOM 55 C GLU A 6 -13.049 5.906 -15.537 1.00 0.00 C ATOM 56 O GLU A 6 -12.480 5.256 -16.413 1.00 0.00 O ATOM 57 CB GLU A 6 -15.237 5.122 -14.558 1.00 0.00 C ATOM 58 CG GLU A 6 -14.699 3.697 -14.710 1.00 0.00 C ATOM 59 CD GLU A 6 -15.841 2.693 -14.876 1.00 0.00 C ATOM 60 OE1 GLU A 6 -16.852 3.006 -15.521 1.00 0.00 O ATOM 61 OE2 GLU A 6 -15.649 1.551 -14.309 1.00 0.00 O ATOM 0 H GLU A 6 -15.704 5.052 -16.997 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.810 7.089 -15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.059 5.475 -13.542 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.316 5.126 -14.713 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.036 3.645 -15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.104 3.434 -13.836 1.00 0.00 H new ATOM 69 N ASP A 7 -12.435 6.505 -14.528 1.00 0.00 N ATOM 70 CA ASP A 7 -10.991 6.434 -14.382 1.00 0.00 C ATOM 71 C ASP A 7 -10.648 5.555 -13.177 1.00 0.00 C ATOM 72 O ASP A 7 -11.441 5.438 -12.244 1.00 0.00 O ATOM 73 CB ASP A 7 -10.393 7.821 -14.141 1.00 0.00 C ATOM 74 CG ASP A 7 -11.331 8.821 -13.463 1.00 0.00 C ATOM 75 OD1 ASP A 7 -11.929 9.684 -14.124 1.00 0.00 O ATOM 76 OD2 ASP A 7 -11.439 8.689 -12.185 1.00 0.00 O ATOM 0 H ASP A 7 -12.911 7.042 -13.803 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.579 6.019 -15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.498 7.713 -13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.076 8.235 -15.098 1.00 0.00 H new ATOM 82 N VAL A 8 -9.466 4.960 -13.236 1.00 0.00 N ATOM 83 CA VAL A 8 -9.007 4.096 -12.162 1.00 0.00 C ATOM 84 C VAL A 8 -9.124 4.840 -10.830 1.00 0.00 C ATOM 85 O VAL A 8 -9.338 6.051 -10.808 1.00 0.00 O ATOM 86 CB VAL A 8 -7.587 3.609 -12.452 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.045 2.773 -11.290 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.533 2.824 -13.764 1.00 0.00 C ATOM 0 H VAL A 8 -8.811 5.059 -14.012 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.633 3.206 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.949 4.486 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.034 2.439 -11.522 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.028 3.378 -10.383 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.687 1.906 -11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.512 2.489 -13.946 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.192 1.958 -13.697 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.857 3.464 -14.585 1.00 0.00 H new ATOM 98 N GLY A 9 -8.978 4.084 -9.752 1.00 0.00 N ATOM 99 CA GLY A 9 -9.064 4.656 -8.420 1.00 0.00 C ATOM 100 C GLY A 9 -7.678 5.029 -7.892 1.00 0.00 C ATOM 101 O GLY A 9 -7.414 6.195 -7.600 1.00 0.00 O ATOM 0 H GLY A 9 -8.801 3.080 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.699 5.542 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.535 3.942 -7.744 1.00 0.00 H new ATOM 105 N ALA A 10 -6.827 4.019 -7.787 1.00 0.00 N ATOM 106 CA ALA A 10 -5.474 4.227 -7.300 1.00 0.00 C ATOM 107 C ALA A 10 -4.568 3.119 -7.840 1.00 0.00 C ATOM 108 O ALA A 10 -4.965 1.956 -7.893 1.00 0.00 O ATOM 109 CB ALA A 10 -5.483 4.278 -5.771 1.00 0.00 C ATOM 0 H ALA A 10 -7.048 3.054 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.080 5.179 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.468 4.434 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.118 5.099 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.869 3.338 -5.378 1.00 0.00 H new ATOM 115 N PRO A 11 -3.334 3.530 -8.240 1.00 0.00 N ATOM 116 CA PRO A 11 -2.367 2.586 -8.775 1.00 0.00 C ATOM 117 C PRO A 11 -1.760 1.731 -7.660 1.00 0.00 C ATOM 118 O PRO A 11 -2.023 1.966 -6.481 1.00 0.00 O ATOM 119 CB PRO A 11 -1.338 3.442 -9.494 1.00 0.00 C ATOM 120 CG PRO A 11 -1.509 4.849 -8.945 1.00 0.00 C ATOM 121 CD PRO A 11 -2.828 4.899 -8.193 1.00 0.00 C ATOM 0 HA PRO A 11 -2.816 1.867 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.328 3.073 -9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.498 3.421 -10.572 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.682 5.103 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.504 5.578 -9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.685 5.233 -7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.524 5.595 -8.661 1.00 0.00 H new ATOM 129 N PRO A 12 -0.939 0.734 -8.083 1.00 0.00 N ATOM 130 CA PRO A 12 -0.292 -0.157 -7.135 1.00 0.00 C ATOM 131 C PRO A 12 0.868 0.546 -6.428 1.00 0.00 C ATOM 132 O PRO A 12 1.977 0.606 -6.957 1.00 0.00 O ATOM 133 CB PRO A 12 0.151 -1.354 -7.958 1.00 0.00 C ATOM 134 CG PRO A 12 0.153 -0.888 -9.405 1.00 0.00 C ATOM 135 CD PRO A 12 -0.606 0.427 -9.471 1.00 0.00 C ATOM 0 HA PRO A 12 -0.957 -0.470 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.142 -1.691 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.528 -2.196 -7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.174 -0.758 -9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.317 -1.633 -10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.004 1.214 -9.915 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.504 0.336 -10.083 1.00 0.00 H new ATOM 143 N ASP A 13 0.574 1.060 -5.242 1.00 0.00 N ATOM 144 CA ASP A 13 1.580 1.754 -4.456 1.00 0.00 C ATOM 145 C ASP A 13 2.888 0.962 -4.495 1.00 0.00 C ATOM 146 O ASP A 13 3.969 1.537 -4.376 1.00 0.00 O ATOM 147 CB ASP A 13 1.147 1.880 -2.995 1.00 0.00 C ATOM 148 CG ASP A 13 1.889 2.949 -2.191 1.00 0.00 C ATOM 149 OD1 ASP A 13 1.271 3.813 -1.551 1.00 0.00 O ATOM 150 OD2 ASP A 13 3.177 2.871 -2.238 1.00 0.00 O ATOM 0 H ASP A 13 -0.347 1.009 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 13 1.711 2.749 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.080 2.100 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.287 0.916 -2.506 1.00 0.00 H new ATOM 156 N HIS A 14 2.748 -0.344 -4.664 1.00 0.00 N ATOM 157 CA HIS A 14 3.905 -1.221 -4.719 1.00 0.00 C ATOM 158 C HIS A 14 3.570 -2.461 -5.552 1.00 0.00 C ATOM 159 O HIS A 14 2.421 -2.897 -5.588 1.00 0.00 O ATOM 160 CB HIS A 14 4.391 -1.567 -3.310 1.00 0.00 C ATOM 161 CG HIS A 14 3.756 -2.807 -2.727 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.185 -2.835 -1.468 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.607 -4.059 -3.247 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.718 -4.056 -1.248 1.00 0.00 C ATOM 165 NE2 HIS A 14 2.981 -4.812 -2.351 1.00 0.00 N ATOM 0 H HIS A 14 1.850 -0.817 -4.765 1.00 0.00 H new ATOM 0 HA HIS A 14 4.732 -0.708 -5.210 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.472 -1.702 -3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.189 -0.723 -2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.941 -4.383 -4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.217 -4.392 -0.352 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.737 -5.795 -2.469 1.00 0.00 H new ATOM 173 N LEU A 15 4.596 -2.992 -6.200 1.00 0.00 N ATOM 174 CA LEU A 15 4.426 -4.172 -7.031 1.00 0.00 C ATOM 175 C LEU A 15 5.480 -5.213 -6.652 1.00 0.00 C ATOM 176 O LEU A 15 6.604 -4.863 -6.294 1.00 0.00 O ATOM 177 CB LEU A 15 4.442 -3.791 -8.512 1.00 0.00 C ATOM 178 CG LEU A 15 3.210 -3.044 -9.026 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.474 -2.432 -10.404 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.979 -3.952 -9.029 1.00 0.00 C ATOM 0 H LEU A 15 5.548 -2.627 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 15 3.451 -4.626 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.321 -3.173 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.562 -4.701 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 15 3.001 -2.221 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.582 -1.907 -10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.305 -1.730 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.723 -3.223 -11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.118 -3.396 -9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.162 -4.810 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.779 -4.298 -8.015 1.00 0.00 H new ATOM 192 N TRP A 16 5.082 -6.474 -6.744 1.00 0.00 N ATOM 193 CA TRP A 16 5.978 -7.569 -6.415 1.00 0.00 C ATOM 194 C TRP A 16 5.934 -8.577 -7.564 1.00 0.00 C ATOM 195 O TRP A 16 4.922 -9.246 -7.769 1.00 0.00 O ATOM 196 CB TRP A 16 5.617 -8.187 -5.063 1.00 0.00 C ATOM 197 CG TRP A 16 5.931 -7.289 -3.864 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.026 -6.544 -3.655 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.091 -7.070 -2.710 1.00 0.00 C ATOM 200 NE1 TRP A 16 6.953 -5.864 -2.457 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.740 -6.194 -1.864 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.827 -7.595 -2.394 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.200 -5.766 -0.645 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.302 -7.157 -1.171 1.00 0.00 C ATOM 205 CH2 TRP A 16 3.942 -6.276 -0.308 1.00 0.00 C ATOM 0 H TRP A 16 4.150 -6.761 -7.042 1.00 0.00 H new ATOM 0 HA TRP A 16 7.001 -7.210 -6.306 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.553 -8.425 -5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.155 -9.128 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.860 -6.484 -4.338 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.660 -5.235 -2.076 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.302 -8.281 -3.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.727 -5.079 0.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.332 -7.530 -0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.470 -5.986 0.619 1.00 0.00 H new ATOM 216 N VAL A 17 7.043 -8.655 -8.284 1.00 0.00 N ATOM 217 CA VAL A 17 7.144 -9.570 -9.408 1.00 0.00 C ATOM 218 C VAL A 17 7.235 -11.005 -8.885 1.00 0.00 C ATOM 219 O VAL A 17 8.150 -11.337 -8.132 1.00 0.00 O ATOM 220 CB VAL A 17 8.327 -9.181 -10.297 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.656 -9.451 -9.590 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.264 -9.906 -11.643 1.00 0.00 C ATOM 0 H VAL A 17 7.880 -8.099 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 17 6.253 -9.507 -10.032 1.00 0.00 H new ATOM 0 HB VAL A 17 8.262 -8.110 -10.491 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.480 -9.166 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.704 -8.868 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.732 -10.512 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.116 -9.611 -12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.291 -10.983 -11.478 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.340 -9.641 -12.156 1.00 0.00 H new ATOM 232 N HIS A 18 6.278 -11.817 -9.307 1.00 0.00 N ATOM 233 CA HIS A 18 6.237 -13.208 -8.889 1.00 0.00 C ATOM 234 C HIS A 18 6.366 -14.116 -10.114 1.00 0.00 C ATOM 235 O HIS A 18 6.944 -15.198 -10.032 1.00 0.00 O ATOM 236 CB HIS A 18 4.979 -13.494 -8.068 1.00 0.00 C ATOM 237 CG HIS A 18 4.725 -14.962 -7.823 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.434 -15.474 -6.571 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.721 -16.021 -8.683 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.266 -16.784 -6.684 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.444 -17.121 -7.993 1.00 0.00 N ATOM 0 H HIS A 18 5.524 -11.538 -9.935 1.00 0.00 H new ATOM 0 HA HIS A 18 7.082 -13.418 -8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.061 -12.985 -7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.118 -13.068 -8.582 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.911 -15.973 -9.745 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.030 -17.465 -5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.376 -18.063 -8.379 1.00 0.00 H new ATOM 249 N GLN A 19 5.817 -13.640 -11.222 1.00 0.00 N ATOM 250 CA GLN A 19 5.862 -14.395 -12.463 1.00 0.00 C ATOM 251 C GLN A 19 6.494 -13.554 -13.573 1.00 0.00 C ATOM 252 O GLN A 19 6.632 -12.340 -13.435 1.00 0.00 O ATOM 253 CB GLN A 19 4.465 -14.873 -12.865 1.00 0.00 C ATOM 254 CG GLN A 19 4.170 -16.257 -12.282 1.00 0.00 C ATOM 255 CD GLN A 19 3.262 -17.061 -13.215 1.00 0.00 C ATOM 256 OE1 GLN A 19 3.684 -17.982 -13.894 1.00 0.00 O ATOM 257 NE2 GLN A 19 1.993 -16.663 -13.210 1.00 0.00 N ATOM 0 H GLN A 19 5.339 -12.741 -11.286 1.00 0.00 H new ATOM 0 HA GLN A 19 6.481 -15.278 -12.306 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.718 -14.160 -12.515 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.387 -14.908 -13.952 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.104 -16.796 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.694 -16.151 -11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.705 -15.884 -12.618 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.308 -17.137 -13.799 1.00 0.00 H new ATOM 266 N GLU A 20 6.861 -14.233 -14.650 1.00 0.00 N ATOM 267 CA GLU A 20 7.475 -13.564 -15.784 1.00 0.00 C ATOM 268 C GLU A 20 6.545 -12.479 -16.327 1.00 0.00 C ATOM 269 O GLU A 20 5.510 -12.782 -16.920 1.00 0.00 O ATOM 270 CB GLU A 20 7.845 -14.567 -16.879 1.00 0.00 C ATOM 271 CG GLU A 20 8.575 -13.876 -18.032 1.00 0.00 C ATOM 272 CD GLU A 20 8.514 -14.722 -19.305 1.00 0.00 C ATOM 273 OE1 GLU A 20 7.764 -15.709 -19.358 1.00 0.00 O ATOM 274 OE2 GLU A 20 9.280 -14.322 -20.263 1.00 0.00 O ATOM 0 H GLU A 20 6.745 -15.240 -14.761 1.00 0.00 H new ATOM 0 HA GLU A 20 8.396 -13.090 -15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.477 -15.350 -16.461 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.943 -15.051 -17.253 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.127 -12.900 -18.218 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.615 -13.702 -17.756 1.00 0.00 H new ATOM 282 N GLY A 21 6.945 -11.236 -16.106 1.00 0.00 N ATOM 283 CA GLY A 21 6.159 -10.102 -16.565 1.00 0.00 C ATOM 284 C GLY A 21 4.888 -9.942 -15.727 1.00 0.00 C ATOM 285 O GLY A 21 3.869 -9.464 -16.224 1.00 0.00 O ATOM 0 H GLY A 21 7.804 -10.988 -15.615 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.756 -9.192 -16.504 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.893 -10.239 -17.613 1.00 0.00 H new ATOM 289 N ILE A 22 4.990 -10.349 -14.471 1.00 0.00 N ATOM 290 CA ILE A 22 3.862 -10.256 -13.560 1.00 0.00 C ATOM 291 C ILE A 22 4.285 -9.480 -12.310 1.00 0.00 C ATOM 292 O ILE A 22 5.474 -9.355 -12.026 1.00 0.00 O ATOM 293 CB ILE A 22 3.300 -11.647 -13.259 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.217 -12.030 -14.271 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.795 -11.734 -11.818 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.833 -12.650 -15.526 1.00 0.00 C ATOM 0 H ILE A 22 5.837 -10.744 -14.062 1.00 0.00 H new ATOM 0 HA ILE A 22 3.045 -9.700 -14.020 1.00 0.00 H new ATOM 0 HB ILE A 22 4.107 -12.372 -13.361 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.522 -12.736 -13.816 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.640 -11.146 -14.543 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.401 -12.733 -11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.618 -11.534 -11.131 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.006 -10.998 -11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.042 -12.913 -16.228 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.508 -11.933 -15.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.389 -13.547 -15.253 1.00 0.00 H new ATOM 308 N TYR A 23 3.286 -8.980 -11.598 1.00 0.00 N ATOM 309 CA TYR A 23 3.539 -8.220 -10.386 1.00 0.00 C ATOM 310 C TYR A 23 2.332 -8.272 -9.445 1.00 0.00 C ATOM 311 O TYR A 23 1.188 -8.251 -9.895 1.00 0.00 O ATOM 312 CB TYR A 23 3.760 -6.773 -10.832 1.00 0.00 C ATOM 313 CG TYR A 23 5.216 -6.439 -11.159 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.117 -6.210 -10.138 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.630 -6.366 -12.474 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.488 -5.895 -10.445 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.001 -6.052 -12.780 1.00 0.00 C ATOM 318 CZ TYR A 23 7.863 -5.831 -11.751 1.00 0.00 C ATOM 319 OH TYR A 23 9.158 -5.534 -12.041 1.00 0.00 O ATOM 0 H TYR A 23 2.300 -9.086 -11.837 1.00 0.00 H new ATOM 0 HA TYR A 23 4.396 -8.627 -9.850 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.147 -6.577 -11.711 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.412 -6.104 -10.045 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.793 -6.267 -9.109 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.925 -6.544 -13.273 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.203 -5.714 -9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.338 -5.993 -13.804 1.00 0.00 H new ATOM 0 HH TYR A 23 9.751 -6.049 -11.454 1.00 0.00 H new ATOM 329 N ARG A 24 2.631 -8.339 -8.156 1.00 0.00 N ATOM 330 CA ARG A 24 1.586 -8.393 -7.148 1.00 0.00 C ATOM 331 C ARG A 24 1.361 -7.006 -6.541 1.00 0.00 C ATOM 332 O ARG A 24 2.315 -6.325 -6.171 1.00 0.00 O ATOM 333 CB ARG A 24 1.946 -9.378 -6.033 1.00 0.00 C ATOM 334 CG ARG A 24 0.815 -10.381 -5.800 1.00 0.00 C ATOM 335 CD ARG A 24 1.369 -11.746 -5.386 1.00 0.00 C ATOM 336 NE ARG A 24 2.261 -11.595 -4.215 1.00 0.00 N ATOM 337 CZ ARG A 24 3.607 -11.506 -4.296 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.225 -11.552 -5.495 1.00 0.00 N ATOM 339 NH2 ARG A 24 4.307 -11.374 -3.185 1.00 0.00 N ATOM 0 H ARG A 24 3.582 -8.357 -7.787 1.00 0.00 H new ATOM 0 HA ARG A 24 0.672 -8.732 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.860 -9.910 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.148 -8.832 -5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.146 -10.006 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.224 -10.485 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.549 -12.423 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.917 -12.192 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 24 1.834 -11.556 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.676 -11.655 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.241 -11.484 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.831 -11.341 -2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.324 -11.305 -3.228 1.00 0.00 H new ATOM 352 N ASP A 25 0.093 -6.632 -6.457 1.00 0.00 N ATOM 353 CA ASP A 25 -0.270 -5.339 -5.901 1.00 0.00 C ATOM 354 C ASP A 25 -0.350 -5.448 -4.378 1.00 0.00 C ATOM 355 O ASP A 25 -0.147 -6.524 -3.817 1.00 0.00 O ATOM 356 CB ASP A 25 -1.636 -4.882 -6.415 1.00 0.00 C ATOM 357 CG ASP A 25 -1.898 -3.379 -6.311 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.889 -2.863 -6.848 1.00 0.00 O ATOM 359 OD2 ASP A 25 -1.020 -2.719 -5.634 1.00 0.00 O ATOM 0 H ASP A 25 -0.696 -7.201 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 25 0.489 -4.617 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.733 -5.181 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.411 -5.410 -5.859 1.00 0.00 H new ATOM 365 N GLU A 26 -0.647 -4.319 -3.750 1.00 0.00 N ATOM 366 CA GLU A 26 -0.757 -4.275 -2.302 1.00 0.00 C ATOM 367 C GLU A 26 -2.193 -4.578 -1.869 1.00 0.00 C ATOM 368 O GLU A 26 -2.619 -4.169 -0.790 1.00 0.00 O ATOM 369 CB GLU A 26 -0.295 -2.921 -1.759 1.00 0.00 C ATOM 370 CG GLU A 26 -1.398 -1.870 -1.896 1.00 0.00 C ATOM 371 CD GLU A 26 -0.802 -0.470 -2.067 1.00 0.00 C ATOM 372 OE1 GLU A 26 -1.002 0.165 -3.112 1.00 0.00 O ATOM 373 OE2 GLU A 26 -0.112 -0.046 -1.064 1.00 0.00 O ATOM 0 H GLU A 26 -0.815 -3.428 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.103 -5.040 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.013 -3.023 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.594 -2.593 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.028 -2.108 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.038 -1.892 -1.014 1.00 0.00 H new ATOM 381 N TYR A 27 -2.899 -5.292 -2.734 1.00 0.00 N ATOM 382 CA TYR A 27 -4.278 -5.655 -2.453 1.00 0.00 C ATOM 383 C TYR A 27 -4.688 -6.901 -3.242 1.00 0.00 C ATOM 384 O TYR A 27 -5.735 -6.916 -3.885 1.00 0.00 O ATOM 385 CB TYR A 27 -5.129 -4.471 -2.917 1.00 0.00 C ATOM 386 CG TYR A 27 -5.327 -3.393 -1.850 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.979 -3.700 -0.672 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.857 -2.114 -2.065 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.166 -2.685 0.332 1.00 0.00 C ATOM 390 CE2 TYR A 27 -5.044 -1.099 -1.060 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.690 -1.435 0.089 1.00 0.00 C ATOM 392 OH TYR A 27 -5.867 -0.477 1.037 1.00 0.00 O ATOM 0 H TYR A 27 -2.543 -5.628 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.409 -5.874 -1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.660 -4.020 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.105 -4.839 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.348 -4.701 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.349 -1.874 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.673 -2.912 1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.680 -0.094 -1.215 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.475 0.366 0.727 1.00 0.00 H new ATOM 402 N GLN A 28 -3.839 -7.916 -3.165 1.00 0.00 N ATOM 403 CA GLN A 28 -4.099 -9.163 -3.864 1.00 0.00 C ATOM 404 C GLN A 28 -4.485 -8.887 -5.318 1.00 0.00 C ATOM 405 O GLN A 28 -5.408 -9.503 -5.848 1.00 0.00 O ATOM 406 CB GLN A 28 -5.185 -9.974 -3.153 1.00 0.00 C ATOM 407 CG GLN A 28 -6.534 -9.254 -3.214 1.00 0.00 C ATOM 408 CD GLN A 28 -7.678 -10.202 -2.848 1.00 0.00 C ATOM 409 OE1 GLN A 28 -7.775 -10.700 -1.738 1.00 0.00 O ATOM 410 NE2 GLN A 28 -8.537 -10.422 -3.840 1.00 0.00 N ATOM 0 H GLN A 28 -2.971 -7.900 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.185 -9.757 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.272 -10.957 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.901 -10.135 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.528 -8.405 -2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.693 -8.856 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.397 -9.973 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.336 -11.040 -3.695 1.00 0.00 H new ATOM 419 N ARG A 29 -3.758 -7.958 -5.923 1.00 0.00 N ATOM 420 CA ARG A 29 -4.011 -7.592 -7.306 1.00 0.00 C ATOM 421 C ARG A 29 -2.797 -7.926 -8.174 1.00 0.00 C ATOM 422 O ARG A 29 -1.751 -7.289 -8.055 1.00 0.00 O ATOM 423 CB ARG A 29 -4.327 -6.101 -7.433 1.00 0.00 C ATOM 424 CG ARG A 29 -5.708 -5.882 -8.053 1.00 0.00 C ATOM 425 CD ARG A 29 -6.766 -5.658 -6.971 1.00 0.00 C ATOM 426 NE ARG A 29 -7.398 -6.946 -6.606 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.644 -7.060 -6.100 1.00 0.00 C ATOM 428 NH1 ARG A 29 -9.404 -5.964 -5.894 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.109 -8.262 -5.809 1.00 0.00 N ATOM 0 H ARG A 29 -2.994 -7.448 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.874 -8.164 -7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.288 -5.633 -6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.568 -5.616 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.678 -5.021 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.980 -6.746 -8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.308 -5.206 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.523 -4.961 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.858 -7.800 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.038 -5.039 -6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.345 -6.060 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.528 -9.086 -5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.049 -8.366 -5.426 1.00 0.00 H new ATOM 442 N THR A 30 -2.976 -8.923 -9.028 1.00 0.00 N ATOM 443 CA THR A 30 -1.907 -9.349 -9.916 1.00 0.00 C ATOM 444 C THR A 30 -1.794 -8.396 -11.108 1.00 0.00 C ATOM 445 O THR A 30 -2.804 -7.946 -11.647 1.00 0.00 O ATOM 446 CB THR A 30 -2.178 -10.798 -10.321 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.593 -10.854 -10.485 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.894 -11.786 -9.188 1.00 0.00 C ATOM 0 H THR A 30 -3.845 -9.448 -9.124 1.00 0.00 H new ATOM 0 HA THR A 30 -0.939 -9.312 -9.416 1.00 0.00 H new ATOM 0 HB THR A 30 -1.566 -11.053 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.825 -10.612 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.103 -12.800 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.847 -11.710 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.529 -11.552 -8.334 1.00 0.00 H new ATOM 456 N TRP A 31 -0.554 -8.117 -11.486 1.00 0.00 N ATOM 457 CA TRP A 31 -0.296 -7.226 -12.604 1.00 0.00 C ATOM 458 C TRP A 31 0.543 -7.989 -13.632 1.00 0.00 C ATOM 459 O TRP A 31 1.238 -8.943 -13.287 1.00 0.00 O ATOM 460 CB TRP A 31 0.371 -5.932 -12.132 1.00 0.00 C ATOM 461 CG TRP A 31 -0.563 -4.996 -11.362 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.037 -5.145 -10.117 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.120 -3.753 -11.839 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.856 -4.094 -9.758 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.908 -3.220 -10.839 1.00 0.00 C ATOM 466 CE3 TRP A 31 -0.963 -3.101 -13.074 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.600 -2.011 -10.971 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.662 -1.894 -13.191 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.459 -1.344 -12.194 1.00 0.00 C ATOM 0 H TRP A 31 0.282 -8.492 -11.038 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.230 -6.918 -13.075 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.221 -6.184 -11.497 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.766 -5.402 -12.999 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.807 -5.983 -9.475 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.335 -3.979 -8.865 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.351 -3.500 -13.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.210 -1.614 -10.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.576 -1.352 -14.121 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.967 -0.406 -12.362 1.00 0.00 H new ATOM 480 N VAL A 32 0.450 -7.540 -14.875 1.00 0.00 N ATOM 481 CA VAL A 32 1.191 -8.168 -15.956 1.00 0.00 C ATOM 482 C VAL A 32 2.073 -7.122 -16.639 1.00 0.00 C ATOM 483 O VAL A 32 1.614 -6.403 -17.526 1.00 0.00 O ATOM 484 CB VAL A 32 0.224 -8.858 -16.920 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.775 -8.849 -18.348 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.083 -10.285 -16.461 1.00 0.00 C ATOM 0 H VAL A 32 -0.128 -6.748 -15.158 1.00 0.00 H new ATOM 0 HA VAL A 32 1.850 -8.944 -15.568 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.710 -8.296 -16.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.069 -9.345 -19.014 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.920 -7.820 -18.676 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.729 -9.376 -18.373 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.773 -10.753 -17.164 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.841 -10.861 -16.422 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.537 -10.259 -15.470 1.00 0.00 H new ATOM 496 N ALA A 33 3.321 -7.069 -16.201 1.00 0.00 N ATOM 497 CA ALA A 33 4.272 -6.123 -16.759 1.00 0.00 C ATOM 498 C ALA A 33 4.802 -6.663 -18.090 1.00 0.00 C ATOM 499 O ALA A 33 5.617 -7.583 -18.109 1.00 0.00 O ATOM 500 CB ALA A 33 5.390 -5.865 -15.748 1.00 0.00 C ATOM 0 H ALA A 33 3.697 -7.667 -15.465 1.00 0.00 H new ATOM 0 HA ALA A 33 3.788 -5.167 -16.960 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.103 -5.155 -16.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.965 -5.454 -14.832 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.900 -6.802 -15.523 1.00 0.00 H new ATOM 506 N VAL A 34 4.317 -6.067 -19.168 1.00 0.00 N ATOM 507 CA VAL A 34 4.729 -6.478 -20.499 1.00 0.00 C ATOM 508 C VAL A 34 5.898 -5.604 -20.959 1.00 0.00 C ATOM 509 O VAL A 34 5.690 -4.538 -21.537 1.00 0.00 O ATOM 510 CB VAL A 34 3.536 -6.432 -21.456 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.981 -6.673 -22.900 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.459 -7.436 -21.039 1.00 0.00 C ATOM 0 H VAL A 34 3.642 -5.302 -19.147 1.00 0.00 H new ATOM 0 HA VAL A 34 5.079 -7.510 -20.488 1.00 0.00 H new ATOM 0 HB VAL A 34 3.102 -5.434 -21.402 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.114 -6.635 -23.559 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.694 -5.903 -23.194 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.452 -7.653 -22.977 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.623 -7.383 -21.736 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.876 -8.443 -21.050 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.110 -7.199 -20.034 1.00 0.00 H new ATOM 522 N VAL A 35 7.100 -6.087 -20.684 1.00 0.00 N ATOM 523 CA VAL A 35 8.303 -5.363 -21.063 1.00 0.00 C ATOM 524 C VAL A 35 8.329 -5.188 -22.583 1.00 0.00 C ATOM 525 O VAL A 35 8.481 -6.161 -23.320 1.00 0.00 O ATOM 526 CB VAL A 35 9.539 -6.082 -20.522 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.623 -7.510 -21.063 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.813 -5.298 -20.844 1.00 0.00 C ATOM 0 H VAL A 35 7.268 -6.971 -20.203 1.00 0.00 H new ATOM 0 HA VAL A 35 8.305 -4.367 -20.621 1.00 0.00 H new ATOM 0 HB VAL A 35 9.446 -6.140 -19.438 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.511 -7.999 -20.663 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.735 -8.066 -20.761 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.682 -7.484 -22.151 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.678 -5.831 -20.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.913 -5.195 -21.924 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.757 -4.309 -20.389 1.00 0.00 H new ATOM 538 N GLU A 36 8.178 -3.941 -23.006 1.00 0.00 N ATOM 539 CA GLU A 36 8.183 -3.627 -24.425 1.00 0.00 C ATOM 540 C GLU A 36 9.078 -2.418 -24.698 1.00 0.00 C ATOM 541 O GLU A 36 8.670 -1.278 -24.482 1.00 0.00 O ATOM 542 CB GLU A 36 6.761 -3.384 -24.936 1.00 0.00 C ATOM 543 CG GLU A 36 6.575 -3.973 -26.336 1.00 0.00 C ATOM 544 CD GLU A 36 5.858 -5.323 -26.273 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.952 -6.028 -25.257 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.183 -5.631 -27.328 1.00 0.00 O ATOM 0 H GLU A 36 8.052 -3.137 -22.391 1.00 0.00 H new ATOM 0 HA GLU A 36 8.588 -4.482 -24.966 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.042 -3.833 -24.250 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.556 -2.314 -24.957 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.001 -3.281 -26.952 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.547 -4.095 -26.815 1.00 0.00 H new ATOM 554 N GLU A 37 10.282 -2.707 -25.169 1.00 0.00 N ATOM 555 CA GLU A 37 11.240 -1.656 -25.472 1.00 0.00 C ATOM 556 C GLU A 37 10.769 -0.842 -26.679 1.00 0.00 C ATOM 557 O GLU A 37 10.153 -1.384 -27.596 1.00 0.00 O ATOM 558 CB GLU A 37 12.634 -2.238 -25.713 1.00 0.00 C ATOM 559 CG GLU A 37 13.522 -1.242 -26.461 1.00 0.00 C ATOM 560 CD GLU A 37 14.981 -1.703 -26.464 1.00 0.00 C ATOM 561 OE1 GLU A 37 15.585 -1.855 -25.392 1.00 0.00 O ATOM 562 OE2 GLU A 37 15.487 -1.905 -27.633 1.00 0.00 O ATOM 0 H GLU A 37 10.617 -3.654 -25.348 1.00 0.00 H new ATOM 0 HA GLU A 37 11.305 -0.990 -24.612 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.094 -2.496 -24.759 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.552 -3.161 -26.287 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.169 -1.134 -27.487 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.448 -0.260 -25.993 1.00 0.00 H new ATOM 570 N GLU A 38 11.077 0.446 -26.640 1.00 0.00 N ATOM 571 CA GLU A 38 10.693 1.340 -27.718 1.00 0.00 C ATOM 572 C GLU A 38 11.244 2.745 -27.465 1.00 0.00 C ATOM 573 O GLU A 38 11.464 3.132 -26.318 1.00 0.00 O ATOM 574 CB GLU A 38 9.173 1.371 -27.891 1.00 0.00 C ATOM 575 CG GLU A 38 8.487 1.861 -26.615 1.00 0.00 C ATOM 576 CD GLU A 38 7.458 2.949 -26.929 1.00 0.00 C ATOM 577 OE1 GLU A 38 7.819 4.009 -27.463 1.00 0.00 O ATOM 578 OE2 GLU A 38 6.244 2.664 -26.599 1.00 0.00 O ATOM 0 H GLU A 38 11.588 0.892 -25.878 1.00 0.00 H new ATOM 0 HA GLU A 38 11.124 0.963 -28.646 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.911 2.025 -28.723 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.811 0.374 -28.143 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.997 1.024 -26.117 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.234 2.250 -25.923 1.00 0.00 H new ATOM 586 N THR A 39 11.453 3.469 -28.555 1.00 0.00 N ATOM 587 CA THR A 39 11.975 4.822 -28.466 1.00 0.00 C ATOM 588 C THR A 39 13.266 4.842 -27.645 1.00 0.00 C ATOM 589 O THR A 39 13.514 5.786 -26.895 1.00 0.00 O ATOM 590 CB THR A 39 10.875 5.716 -27.889 1.00 0.00 C ATOM 591 OG1 THR A 39 9.836 5.658 -28.862 1.00 0.00 O ATOM 592 CG2 THR A 39 11.275 7.193 -27.860 1.00 0.00 C ATOM 0 H THR A 39 11.270 3.144 -29.504 1.00 0.00 H new ATOM 0 HA THR A 39 12.245 5.207 -29.449 1.00 0.00 H new ATOM 0 HB THR A 39 10.632 5.386 -26.879 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.098 5.112 -28.520 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.459 7.783 -27.442 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.165 7.317 -27.244 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.486 7.533 -28.874 1.00 0.00 H new ATOM 600 N SER A 40 14.054 3.791 -27.815 1.00 0.00 N ATOM 601 CA SER A 40 15.313 3.677 -27.099 1.00 0.00 C ATOM 602 C SER A 40 15.072 3.786 -25.592 1.00 0.00 C ATOM 603 O SER A 40 15.862 4.400 -24.876 1.00 0.00 O ATOM 604 CB SER A 40 16.306 4.748 -27.557 1.00 0.00 C ATOM 605 OG SER A 40 16.072 6.000 -26.919 1.00 0.00 O ATOM 0 H SER A 40 13.845 3.011 -28.438 1.00 0.00 H new ATOM 0 HA SER A 40 15.744 2.701 -27.321 1.00 0.00 H new ATOM 0 HB2 SER A 40 17.322 4.416 -27.343 1.00 0.00 H new ATOM 0 HB3 SER A 40 16.233 4.872 -28.637 1.00 0.00 H new ATOM 0 HG SER A 40 15.128 6.246 -27.017 1.00 0.00 H new ATOM 611 N PHE A 41 13.977 3.182 -25.156 1.00 0.00 N ATOM 612 CA PHE A 41 13.622 3.203 -23.747 1.00 0.00 C ATOM 613 C PHE A 41 13.081 1.844 -23.297 1.00 0.00 C ATOM 614 O PHE A 41 12.899 0.943 -24.115 1.00 0.00 O ATOM 615 CB PHE A 41 12.525 4.256 -23.579 1.00 0.00 C ATOM 616 CG PHE A 41 13.028 5.698 -23.669 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.198 6.049 -23.071 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.305 6.629 -24.348 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.665 7.387 -23.155 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.772 7.968 -24.431 1.00 0.00 C ATOM 621 CZ PHE A 41 13.942 8.319 -23.833 1.00 0.00 C ATOM 0 H PHE A 41 13.324 2.675 -25.753 1.00 0.00 H new ATOM 0 HA PHE A 41 14.502 3.431 -23.145 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.765 4.099 -24.344 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.041 4.111 -22.613 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.772 5.310 -22.532 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.376 6.350 -24.824 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.594 7.665 -22.681 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.198 8.708 -24.969 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.297 9.337 -23.896 1.00 0.00 H new ATOM 631 N LEU A 42 12.838 1.740 -21.999 1.00 0.00 N ATOM 632 CA LEU A 42 12.321 0.506 -21.431 1.00 0.00 C ATOM 633 C LEU A 42 10.922 0.757 -20.868 1.00 0.00 C ATOM 634 O LEU A 42 10.776 1.333 -19.790 1.00 0.00 O ATOM 635 CB LEU A 42 13.304 -0.065 -20.407 1.00 0.00 C ATOM 636 CG LEU A 42 14.401 -0.974 -20.963 1.00 0.00 C ATOM 637 CD1 LEU A 42 13.817 -2.302 -21.449 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.199 -0.264 -22.059 1.00 0.00 C ATOM 0 H LEU A 42 12.989 2.490 -21.324 1.00 0.00 H new ATOM 0 HA LEU A 42 12.222 -0.257 -22.203 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.779 0.767 -19.886 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.738 -0.626 -19.663 1.00 0.00 H new ATOM 0 HG LEU A 42 15.097 -1.203 -20.156 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.618 -2.930 -21.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.329 -2.811 -20.618 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.088 -2.112 -22.236 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.972 -0.933 -22.437 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.530 0.015 -22.873 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.663 0.632 -21.648 1.00 0.00 H new ATOM 650 N ARG A 43 9.927 0.312 -21.621 1.00 0.00 N ATOM 651 CA ARG A 43 8.543 0.481 -21.210 1.00 0.00 C ATOM 652 C ARG A 43 7.978 -0.844 -20.694 1.00 0.00 C ATOM 653 O ARG A 43 7.894 -1.820 -21.438 1.00 0.00 O ATOM 654 CB ARG A 43 7.679 0.977 -22.372 1.00 0.00 C ATOM 655 CG ARG A 43 6.201 1.012 -21.981 1.00 0.00 C ATOM 656 CD ARG A 43 5.440 2.053 -22.805 1.00 0.00 C ATOM 657 NE ARG A 43 5.168 1.524 -24.161 1.00 0.00 N ATOM 658 CZ ARG A 43 4.330 0.497 -24.418 1.00 0.00 C ATOM 659 NH1 ARG A 43 3.674 -0.122 -23.413 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.161 0.106 -25.667 1.00 0.00 N ATOM 0 H ARG A 43 10.051 -0.166 -22.514 1.00 0.00 H new ATOM 0 HA ARG A 43 8.522 1.225 -20.414 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.003 1.974 -22.671 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.815 0.325 -23.235 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.758 0.028 -22.133 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.107 1.244 -20.920 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.503 2.307 -22.310 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.023 2.971 -22.874 1.00 0.00 H new ATOM 0 HE ARG A 43 5.643 1.963 -24.950 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.810 0.185 -22.450 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.043 -0.897 -23.617 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.660 0.578 -26.421 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.532 -0.668 -25.878 1.00 0.00 H new ATOM 673 N ALA A 44 7.603 -0.836 -19.423 1.00 0.00 N ATOM 674 CA ALA A 44 7.048 -2.023 -18.798 1.00 0.00 C ATOM 675 C ALA A 44 5.550 -1.818 -18.563 1.00 0.00 C ATOM 676 O ALA A 44 5.145 -1.320 -17.513 1.00 0.00 O ATOM 677 CB ALA A 44 7.806 -2.322 -17.504 1.00 0.00 C ATOM 0 H ALA A 44 7.673 -0.025 -18.809 1.00 0.00 H new ATOM 0 HA ALA A 44 7.164 -2.889 -19.450 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.389 -3.213 -17.035 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.859 -2.490 -17.730 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.711 -1.476 -16.823 1.00 0.00 H new ATOM 683 N ARG A 45 4.768 -2.213 -19.557 1.00 0.00 N ATOM 684 CA ARG A 45 3.324 -2.080 -19.471 1.00 0.00 C ATOM 685 C ARG A 45 2.764 -3.028 -18.409 1.00 0.00 C ATOM 686 O ARG A 45 2.724 -4.241 -18.614 1.00 0.00 O ATOM 687 CB ARG A 45 2.661 -2.384 -20.816 1.00 0.00 C ATOM 688 CG ARG A 45 1.176 -2.018 -20.791 1.00 0.00 C ATOM 689 CD ARG A 45 0.321 -3.157 -21.350 1.00 0.00 C ATOM 690 NE ARG A 45 0.969 -3.735 -22.549 1.00 0.00 N ATOM 691 CZ ARG A 45 0.391 -4.651 -23.353 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.855 -5.101 -23.095 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.062 -5.100 -24.397 1.00 0.00 N ATOM 0 H ARG A 45 5.107 -2.625 -20.426 1.00 0.00 H new ATOM 0 HA ARG A 45 3.103 -1.049 -19.194 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.163 -1.827 -21.607 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.774 -3.442 -21.050 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.870 -1.796 -19.769 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.011 -1.113 -21.376 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.187 -3.928 -20.591 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.671 -2.786 -21.606 1.00 0.00 H new ATOM 0 HE ARG A 45 1.911 -3.421 -22.782 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.367 -4.748 -22.287 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.284 -5.794 -23.708 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.003 -4.754 -24.586 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.640 -5.793 -25.015 1.00 0.00 H new ATOM 706 N VAL A 46 2.348 -2.442 -17.297 1.00 0.00 N ATOM 707 CA VAL A 46 1.794 -3.221 -16.202 1.00 0.00 C ATOM 708 C VAL A 46 0.268 -3.244 -16.320 1.00 0.00 C ATOM 709 O VAL A 46 -0.388 -2.222 -16.133 1.00 0.00 O ATOM 710 CB VAL A 46 2.281 -2.661 -14.863 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.289 -3.747 -13.786 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.663 -2.021 -15.007 1.00 0.00 C ATOM 0 H VAL A 46 2.383 -1.436 -17.130 1.00 0.00 H new ATOM 0 HA VAL A 46 2.140 -4.253 -16.253 1.00 0.00 H new ATOM 0 HB VAL A 46 1.583 -1.884 -14.550 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.639 -3.323 -12.845 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.280 -4.137 -13.655 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.954 -4.555 -14.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.986 -1.631 -14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.376 -2.769 -15.353 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.613 -1.206 -15.729 1.00 0.00 H new ATOM 722 N GLN A 47 -0.251 -4.424 -16.630 1.00 0.00 N ATOM 723 CA GLN A 47 -1.686 -4.595 -16.775 1.00 0.00 C ATOM 724 C GLN A 47 -2.223 -5.521 -15.683 1.00 0.00 C ATOM 725 O GLN A 47 -1.685 -6.605 -15.464 1.00 0.00 O ATOM 726 CB GLN A 47 -2.036 -5.126 -18.167 1.00 0.00 C ATOM 727 CG GLN A 47 -3.408 -5.805 -18.165 1.00 0.00 C ATOM 728 CD GLN A 47 -4.102 -5.641 -19.519 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.514 -6.599 -20.154 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.208 -4.379 -19.924 1.00 0.00 N ATOM 0 H GLN A 47 0.297 -5.270 -16.785 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.162 -3.621 -16.663 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.033 -4.306 -18.885 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.275 -5.836 -18.491 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.293 -6.865 -17.937 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.029 -5.375 -17.379 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.842 -3.625 -19.343 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.656 -4.165 -20.815 1.00 0.00 H new ATOM 739 N GLN A 48 -3.278 -5.060 -15.027 1.00 0.00 N ATOM 740 CA GLN A 48 -3.895 -5.834 -13.963 1.00 0.00 C ATOM 741 C GLN A 48 -4.950 -6.781 -14.537 1.00 0.00 C ATOM 742 O GLN A 48 -5.856 -6.348 -15.248 1.00 0.00 O ATOM 743 CB GLN A 48 -4.501 -4.918 -12.898 1.00 0.00 C ATOM 744 CG GLN A 48 -4.710 -5.670 -11.582 1.00 0.00 C ATOM 745 CD GLN A 48 -5.543 -6.935 -11.800 1.00 0.00 C ATOM 746 OE1 GLN A 48 -5.174 -8.028 -11.402 1.00 0.00 O ATOM 747 NE2 GLN A 48 -6.682 -6.727 -12.454 1.00 0.00 N ATOM 0 H GLN A 48 -3.721 -4.160 -15.212 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.122 -6.433 -13.482 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.845 -4.063 -12.732 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.454 -4.524 -13.251 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.744 -5.936 -11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.210 -5.021 -10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.930 -5.786 -12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.307 -7.509 -12.650 1.00 0.00 H new ATOM 756 N ILE A 49 -4.798 -8.055 -14.210 1.00 0.00 N ATOM 757 CA ILE A 49 -5.728 -9.066 -14.684 1.00 0.00 C ATOM 758 C ILE A 49 -5.836 -10.182 -13.643 1.00 0.00 C ATOM 759 O ILE A 49 -4.973 -10.313 -12.776 1.00 0.00 O ATOM 760 CB ILE A 49 -5.319 -9.559 -16.074 1.00 0.00 C ATOM 761 CG1 ILE A 49 -3.955 -10.250 -16.031 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.353 -8.418 -17.092 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.820 -9.225 -16.078 1.00 0.00 C ATOM 0 H ILE A 49 -4.044 -8.411 -13.622 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.725 -8.642 -14.801 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.046 -10.303 -16.401 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.874 -10.846 -15.122 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.865 -10.937 -16.872 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.058 -8.795 -18.071 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.363 -8.011 -17.149 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.662 -7.634 -16.782 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.861 -9.742 -16.046 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.890 -8.647 -16.999 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.899 -8.555 -15.222 1.00 0.00 H new ATOM 775 N GLN A 50 -6.903 -10.958 -13.763 1.00 0.00 N ATOM 776 CA GLN A 50 -7.135 -12.058 -12.843 1.00 0.00 C ATOM 777 C GLN A 50 -6.307 -13.278 -13.253 1.00 0.00 C ATOM 778 O GLN A 50 -6.584 -13.905 -14.275 1.00 0.00 O ATOM 779 CB GLN A 50 -8.624 -12.407 -12.768 1.00 0.00 C ATOM 780 CG GLN A 50 -9.344 -11.519 -11.752 1.00 0.00 C ATOM 781 CD GLN A 50 -10.185 -10.451 -12.456 1.00 0.00 C ATOM 782 OE1 GLN A 50 -11.324 -10.670 -12.835 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.561 -9.286 -12.610 1.00 0.00 N ATOM 0 H GLN A 50 -7.616 -10.847 -14.483 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.818 -11.745 -11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.080 -12.285 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.742 -13.454 -12.490 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.985 -12.132 -11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.614 -11.040 -11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.607 -9.170 -12.269 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.037 -8.509 -13.069 1.00 0.00 H new ATOM 792 N VAL A 51 -5.308 -13.577 -12.436 1.00 0.00 N ATOM 793 CA VAL A 51 -4.438 -14.710 -12.701 1.00 0.00 C ATOM 794 C VAL A 51 -3.799 -15.174 -11.391 1.00 0.00 C ATOM 795 O VAL A 51 -3.280 -14.361 -10.627 1.00 0.00 O ATOM 796 CB VAL A 51 -3.409 -14.340 -13.771 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.082 -14.114 -15.125 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.597 -13.113 -13.350 1.00 0.00 C ATOM 0 H VAL A 51 -5.082 -13.054 -11.590 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.011 -15.548 -13.097 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.720 -15.178 -13.876 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.328 -13.852 -15.867 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.594 -15.026 -15.434 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.805 -13.303 -15.041 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.873 -12.871 -14.128 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.267 -12.266 -13.202 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.072 -13.326 -12.419 1.00 0.00 H new ATOM 808 N PRO A 52 -3.858 -16.514 -11.165 1.00 0.00 N ATOM 809 CA PRO A 52 -3.290 -17.095 -9.961 1.00 0.00 C ATOM 810 C PRO A 52 -1.762 -17.141 -10.041 1.00 0.00 C ATOM 811 O PRO A 52 -1.200 -17.346 -11.115 1.00 0.00 O ATOM 812 CB PRO A 52 -3.920 -18.474 -9.855 1.00 0.00 C ATOM 813 CG PRO A 52 -4.456 -18.795 -11.241 1.00 0.00 C ATOM 814 CD PRO A 52 -4.464 -17.506 -12.047 1.00 0.00 C ATOM 0 HA PRO A 52 -3.502 -16.505 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.186 -19.215 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.720 -18.482 -9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.833 -19.545 -11.727 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.462 -19.210 -11.175 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.896 -17.613 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.478 -17.220 -12.327 1.00 0.00 H new ATOM 822 N LEU A 53 -1.136 -16.946 -8.890 1.00 0.00 N ATOM 823 CA LEU A 53 0.316 -16.963 -8.816 1.00 0.00 C ATOM 824 C LEU A 53 0.817 -18.390 -9.048 1.00 0.00 C ATOM 825 O LEU A 53 0.516 -19.292 -8.267 1.00 0.00 O ATOM 826 CB LEU A 53 0.792 -16.351 -7.498 1.00 0.00 C ATOM 827 CG LEU A 53 0.666 -14.830 -7.381 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.816 -14.128 -8.104 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.700 -14.353 -7.878 1.00 0.00 C ATOM 0 H LEU A 53 -1.607 -16.775 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 53 0.745 -16.342 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.228 -16.806 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.838 -16.622 -7.351 1.00 0.00 H new ATOM 0 HG LEU A 53 0.737 -14.561 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.703 -13.048 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.764 -14.435 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.802 -14.400 -9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.763 -13.269 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.825 -14.634 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.486 -14.815 -7.281 1.00 0.00 H new ATOM 841 N GLY A 54 1.573 -18.550 -10.125 1.00 0.00 N ATOM 842 CA GLY A 54 2.119 -19.852 -10.468 1.00 0.00 C ATOM 843 C GLY A 54 3.611 -19.752 -10.795 1.00 0.00 C ATOM 844 O GLY A 54 3.992 -19.142 -11.793 1.00 0.00 O ATOM 0 H GLY A 54 1.820 -17.800 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.970 -20.543 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.582 -20.262 -11.324 1.00 0.00 H new ATOM 848 N ASP A 55 4.414 -20.360 -9.935 1.00 0.00 N ATOM 849 CA ASP A 55 5.855 -20.347 -10.119 1.00 0.00 C ATOM 850 C ASP A 55 6.417 -19.012 -9.628 1.00 0.00 C ATOM 851 O ASP A 55 5.840 -17.957 -9.891 1.00 0.00 O ATOM 852 CB ASP A 55 6.223 -20.498 -11.598 1.00 0.00 C ATOM 853 CG ASP A 55 5.364 -21.495 -12.378 1.00 0.00 C ATOM 854 OD1 ASP A 55 4.596 -21.113 -13.274 1.00 0.00 O ATOM 855 OD2 ASP A 55 5.508 -22.729 -12.031 1.00 0.00 O ATOM 0 H ASP A 55 4.094 -20.865 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 55 6.273 -21.181 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.147 -19.522 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.266 -20.807 -11.668 1.00 0.00 H new ATOM 861 N ALA A 56 7.534 -19.100 -8.921 1.00 0.00 N ATOM 862 CA ALA A 56 8.180 -17.913 -8.389 1.00 0.00 C ATOM 863 C ALA A 56 9.689 -18.011 -8.619 1.00 0.00 C ATOM 864 O ALA A 56 10.475 -17.831 -7.690 1.00 0.00 O ATOM 865 CB ALA A 56 7.824 -17.758 -6.909 1.00 0.00 C ATOM 0 H ALA A 56 8.008 -19.977 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 56 7.826 -17.020 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.309 -16.867 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.743 -17.662 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.166 -18.635 -6.359 1.00 0.00 H new ATOM 871 N ALA A 57 10.049 -18.297 -9.862 1.00 0.00 N ATOM 872 CA ALA A 57 11.450 -18.422 -10.226 1.00 0.00 C ATOM 873 C ALA A 57 12.002 -17.043 -10.592 1.00 0.00 C ATOM 874 O ALA A 57 11.592 -16.034 -10.021 1.00 0.00 O ATOM 875 CB ALA A 57 11.593 -19.430 -11.367 1.00 0.00 C ATOM 0 H ALA A 57 9.394 -18.446 -10.630 1.00 0.00 H new ATOM 0 HA ALA A 57 12.033 -18.798 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.644 -19.524 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.214 -20.400 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.023 -19.086 -12.230 1.00 0.00 H new ATOM 881 N ARG A 58 12.924 -17.044 -11.545 1.00 0.00 N ATOM 882 CA ARG A 58 13.536 -15.805 -11.995 1.00 0.00 C ATOM 883 C ARG A 58 13.590 -15.765 -13.523 1.00 0.00 C ATOM 884 O ARG A 58 14.669 -15.689 -14.108 1.00 0.00 O ATOM 885 CB ARG A 58 14.953 -15.658 -11.437 1.00 0.00 C ATOM 886 CG ARG A 58 14.924 -15.331 -9.943 1.00 0.00 C ATOM 887 CD ARG A 58 16.321 -15.438 -9.330 1.00 0.00 C ATOM 888 NE ARG A 58 16.369 -14.704 -8.046 1.00 0.00 N ATOM 889 CZ ARG A 58 16.651 -13.388 -7.936 1.00 0.00 C ATOM 890 NH1 ARG A 58 16.914 -12.650 -9.035 1.00 0.00 N ATOM 891 NH2 ARG A 58 16.665 -12.835 -6.738 1.00 0.00 N ATOM 0 H ARG A 58 13.261 -17.883 -12.017 1.00 0.00 H new ATOM 0 HA ARG A 58 12.925 -14.980 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.509 -16.581 -11.600 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.479 -14.870 -11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.535 -14.324 -9.795 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.245 -16.013 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.577 -16.485 -9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.061 -15.031 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 58 16.177 -15.225 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.901 -13.086 -9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.126 -11.657 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.465 -13.400 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.876 -11.842 -6.637 1.00 0.00 H new ATOM 904 N PRO A 59 12.380 -15.819 -14.143 1.00 0.00 N ATOM 905 CA PRO A 59 12.279 -15.788 -15.592 1.00 0.00 C ATOM 906 C PRO A 59 12.531 -14.378 -16.129 1.00 0.00 C ATOM 907 O PRO A 59 13.492 -14.150 -16.861 1.00 0.00 O ATOM 908 CB PRO A 59 10.883 -16.301 -15.900 1.00 0.00 C ATOM 909 CG PRO A 59 10.092 -16.160 -14.608 1.00 0.00 C ATOM 910 CD PRO A 59 11.081 -15.910 -13.482 1.00 0.00 C ATOM 0 HA PRO A 59 13.032 -16.407 -16.080 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.424 -15.725 -16.704 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.912 -17.340 -16.229 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.382 -15.336 -14.683 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.513 -17.063 -14.414 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.845 -14.992 -12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.064 -16.720 -12.753 1.00 0.00 H new ATOM 918 N SER A 60 11.649 -13.466 -15.744 1.00 0.00 N ATOM 919 CA SER A 60 11.762 -12.084 -16.178 1.00 0.00 C ATOM 920 C SER A 60 12.716 -11.322 -15.255 1.00 0.00 C ATOM 921 O SER A 60 12.761 -10.093 -15.282 1.00 0.00 O ATOM 922 CB SER A 60 10.394 -11.402 -16.207 1.00 0.00 C ATOM 923 OG SER A 60 10.392 -10.244 -17.038 1.00 0.00 O ATOM 0 H SER A 60 10.853 -13.658 -15.136 1.00 0.00 H new ATOM 0 HA SER A 60 12.163 -12.076 -17.192 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.645 -12.107 -16.566 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.107 -11.121 -15.194 1.00 0.00 H new ATOM 0 HG SER A 60 11.142 -9.663 -16.791 1.00 0.00 H new ATOM 929 N HIS A 61 13.452 -12.084 -14.460 1.00 0.00 N ATOM 930 CA HIS A 61 14.402 -11.495 -13.530 1.00 0.00 C ATOM 931 C HIS A 61 15.825 -11.684 -14.061 1.00 0.00 C ATOM 932 O HIS A 61 16.702 -10.861 -13.803 1.00 0.00 O ATOM 933 CB HIS A 61 14.214 -12.070 -12.125 1.00 0.00 C ATOM 934 CG HIS A 61 12.779 -12.078 -11.652 1.00 0.00 C ATOM 935 ND1 HIS A 61 12.380 -12.697 -10.480 1.00 0.00 N ATOM 936 CD2 HIS A 61 11.656 -11.536 -12.204 1.00 0.00 C ATOM 937 CE1 HIS A 61 11.072 -12.529 -10.344 1.00 0.00 C ATOM 938 NE2 HIS A 61 10.625 -11.810 -11.414 1.00 0.00 N ATOM 0 H HIS A 61 13.410 -13.103 -14.440 1.00 0.00 H new ATOM 0 HA HIS A 61 14.220 -10.423 -13.449 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.598 -13.090 -12.107 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.814 -11.491 -11.423 1.00 0.00 H new ATOM 0 HD1 HIS A 61 12.988 -13.197 -9.832 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.613 -10.978 -13.128 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.466 -12.897 -9.529 1.00 0.00 H new ATOM 946 N LEU A 62 16.009 -12.772 -14.795 1.00 0.00 N ATOM 947 CA LEU A 62 17.310 -13.078 -15.366 1.00 0.00 C ATOM 948 C LEU A 62 17.223 -13.007 -16.891 1.00 0.00 C ATOM 949 O LEU A 62 18.188 -12.634 -17.555 1.00 0.00 O ATOM 950 CB LEU A 62 17.821 -14.421 -14.840 1.00 0.00 C ATOM 951 CG LEU A 62 18.753 -14.356 -13.628 1.00 0.00 C ATOM 952 CD1 LEU A 62 20.156 -13.904 -14.038 1.00 0.00 C ATOM 953 CD2 LEU A 62 18.163 -13.469 -12.530 1.00 0.00 C ATOM 0 H LEU A 62 15.279 -13.452 -15.007 1.00 0.00 H new ATOM 0 HA LEU A 62 18.047 -12.338 -15.055 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.961 -15.038 -14.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.345 -14.930 -15.649 1.00 0.00 H new ATOM 0 HG LEU A 62 18.847 -15.360 -13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.798 -13.866 -13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 62 20.569 -14.609 -14.759 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.102 -12.914 -14.490 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.845 -13.440 -11.680 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.020 -12.459 -12.915 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.203 -13.875 -12.211 1.00 0.00 H new ATOM 965 N LEU A 63 16.056 -13.372 -17.403 1.00 0.00 N ATOM 966 CA LEU A 63 15.830 -13.353 -18.838 1.00 0.00 C ATOM 967 C LEU A 63 15.723 -11.904 -19.316 1.00 0.00 C ATOM 968 O LEU A 63 16.377 -11.514 -20.282 1.00 0.00 O ATOM 969 CB LEU A 63 14.617 -14.211 -19.200 1.00 0.00 C ATOM 970 CG LEU A 63 14.576 -14.746 -20.633 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.562 -15.883 -20.766 1.00 0.00 C ATOM 972 CD2 LEU A 63 14.306 -13.618 -21.631 1.00 0.00 C ATOM 0 H LEU A 63 15.257 -13.682 -16.849 1.00 0.00 H new ATOM 0 HA LEU A 63 16.675 -13.799 -19.362 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.580 -15.059 -18.516 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.716 -13.622 -19.027 1.00 0.00 H new ATOM 0 HG LEU A 63 15.556 -15.160 -20.871 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.553 -16.244 -21.794 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.839 -16.698 -20.097 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.570 -15.518 -20.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.282 -14.025 -22.642 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.347 -13.153 -21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.097 -12.871 -21.559 1.00 0.00 H new ATOM 984 N THR A 64 14.892 -11.145 -18.616 1.00 0.00 N ATOM 985 CA THR A 64 14.690 -9.746 -18.958 1.00 0.00 C ATOM 986 C THR A 64 15.859 -8.900 -18.454 1.00 0.00 C ATOM 987 O THR A 64 16.606 -8.330 -19.248 1.00 0.00 O ATOM 988 CB THR A 64 13.336 -9.313 -18.391 1.00 0.00 C ATOM 989 OG1 THR A 64 12.392 -9.778 -19.351 1.00 0.00 O ATOM 990 CG2 THR A 64 13.158 -7.793 -18.398 1.00 0.00 C ATOM 0 H THR A 64 14.351 -11.471 -17.815 1.00 0.00 H new ATOM 0 HA THR A 64 14.668 -9.601 -20.038 1.00 0.00 H new ATOM 0 HB THR A 64 13.233 -9.686 -17.372 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.557 -10.019 -18.898 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.181 -7.539 -17.986 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.938 -7.332 -17.792 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.227 -7.423 -19.421 1.00 0.00 H new ATOM 998 N SER A 65 15.983 -8.842 -17.135 1.00 0.00 N ATOM 999 CA SER A 65 17.047 -8.072 -16.516 1.00 0.00 C ATOM 1000 C SER A 65 16.785 -6.576 -16.698 1.00 0.00 C ATOM 1001 O SER A 65 17.719 -5.798 -16.896 1.00 0.00 O ATOM 1002 CB SER A 65 18.410 -8.448 -17.101 1.00 0.00 C ATOM 1003 OG SER A 65 18.703 -7.714 -18.287 1.00 0.00 O ATOM 0 H SER A 65 15.363 -9.317 -16.479 1.00 0.00 H new ATOM 0 HA SER A 65 17.062 -8.304 -15.451 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.187 -8.263 -16.359 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.428 -9.515 -17.321 1.00 0.00 H new ATOM 0 HG SER A 65 17.879 -7.578 -18.800 1.00 0.00 H new ATOM 1009 N GLN A 66 15.512 -6.216 -16.626 1.00 0.00 N ATOM 1010 CA GLN A 66 15.116 -4.827 -16.781 1.00 0.00 C ATOM 1011 C GLN A 66 14.217 -4.399 -15.620 1.00 0.00 C ATOM 1012 O GLN A 66 14.594 -3.542 -14.822 1.00 0.00 O ATOM 1013 CB GLN A 66 14.421 -4.602 -18.125 1.00 0.00 C ATOM 1014 CG GLN A 66 15.390 -4.820 -19.288 1.00 0.00 C ATOM 1015 CD GLN A 66 16.315 -3.614 -19.465 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.177 -2.593 -18.810 1.00 0.00 O ATOM 1017 NE2 GLN A 66 17.261 -3.788 -20.383 1.00 0.00 N ATOM 0 H GLN A 66 14.741 -6.863 -16.462 1.00 0.00 H new ATOM 0 HA GLN A 66 16.014 -4.209 -16.766 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.575 -5.283 -18.219 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.020 -3.589 -18.166 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.985 -5.715 -19.107 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.829 -4.990 -20.207 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.319 -4.668 -20.895 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.928 -3.041 -20.575 1.00 0.00 H new ATOM 1026 N LEU A 67 13.047 -5.015 -15.560 1.00 0.00 N ATOM 1027 CA LEU A 67 12.091 -4.708 -14.510 1.00 0.00 C ATOM 1028 C LEU A 67 12.665 -5.143 -13.161 1.00 0.00 C ATOM 1029 O LEU A 67 13.295 -6.195 -13.059 1.00 0.00 O ATOM 1030 CB LEU A 67 10.728 -5.327 -14.828 1.00 0.00 C ATOM 1031 CG LEU A 67 10.015 -4.783 -16.067 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.862 -4.998 -17.324 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.618 -5.390 -16.207 1.00 0.00 C ATOM 0 H LEU A 67 12.738 -5.727 -16.222 1.00 0.00 H new ATOM 0 HA LEU A 67 11.921 -3.633 -14.452 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.860 -6.402 -14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.076 -5.183 -13.966 1.00 0.00 H new ATOM 0 HG LEU A 67 9.887 -3.708 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.333 -4.603 -18.191 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.815 -4.481 -17.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.042 -6.064 -17.464 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.133 -4.986 -17.096 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.699 -6.473 -16.298 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.024 -5.144 -15.327 1.00 0.00 H new ATOM 1045 N PRO A 68 12.421 -4.289 -12.130 1.00 0.00 N ATOM 1046 CA PRO A 68 12.906 -4.574 -10.790 1.00 0.00 C ATOM 1047 C PRO A 68 12.071 -5.670 -10.127 1.00 0.00 C ATOM 1048 O PRO A 68 11.048 -6.089 -10.666 1.00 0.00 O ATOM 1049 CB PRO A 68 12.836 -3.246 -10.055 1.00 0.00 C ATOM 1050 CG PRO A 68 11.884 -2.375 -10.859 1.00 0.00 C ATOM 1051 CD PRO A 68 11.679 -3.034 -12.212 1.00 0.00 C ATOM 0 HA PRO A 68 13.924 -4.963 -10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.474 -3.382 -9.036 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.822 -2.786 -9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.932 -2.268 -10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.295 -1.373 -10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.622 -3.211 -12.410 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.053 -2.405 -13.020 1.00 0.00 H new ATOM 1059 N LEU A 69 12.537 -6.104 -8.965 1.00 0.00 N ATOM 1060 CA LEU A 69 11.846 -7.143 -8.221 1.00 0.00 C ATOM 1061 C LEU A 69 10.649 -6.531 -7.490 1.00 0.00 C ATOM 1062 O LEU A 69 9.701 -7.236 -7.145 1.00 0.00 O ATOM 1063 CB LEU A 69 12.820 -7.879 -7.298 1.00 0.00 C ATOM 1064 CG LEU A 69 12.784 -9.407 -7.367 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.408 -9.942 -6.964 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.210 -9.904 -8.750 1.00 0.00 C ATOM 0 H LEU A 69 13.386 -5.754 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 69 11.452 -7.900 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.832 -7.548 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.615 -7.576 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 69 13.504 -9.798 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.410 -11.030 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.182 -9.633 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.651 -9.544 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.176 -10.993 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.533 -9.504 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.226 -9.569 -8.960 1.00 0.00 H new ATOM 1078 N MET A 70 10.731 -5.226 -7.277 1.00 0.00 N ATOM 1079 CA MET A 70 9.668 -4.511 -6.592 1.00 0.00 C ATOM 1080 C MET A 70 9.680 -3.027 -6.959 1.00 0.00 C ATOM 1081 O MET A 70 10.745 -2.429 -7.106 1.00 0.00 O ATOM 1082 CB MET A 70 9.839 -4.665 -5.080 1.00 0.00 C ATOM 1083 CG MET A 70 8.823 -3.807 -4.322 1.00 0.00 C ATOM 1084 SD MET A 70 9.639 -2.903 -3.018 1.00 0.00 S ATOM 1085 CE MET A 70 8.219 -2.272 -2.142 1.00 0.00 C ATOM 0 H MET A 70 11.518 -4.645 -7.567 1.00 0.00 H new ATOM 0 HA MET A 70 8.713 -4.935 -6.903 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.716 -5.712 -4.801 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.850 -4.376 -4.794 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.337 -3.113 -5.008 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.041 -4.440 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 70 8.550 -1.724 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.656 -1.605 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.582 -3.102 -1.836 1.00 0.00 H new ATOM 1095 N TRP A 71 8.484 -2.472 -7.096 1.00 0.00 N ATOM 1096 CA TRP A 71 8.344 -1.069 -7.443 1.00 0.00 C ATOM 1097 C TRP A 71 7.847 -0.324 -6.202 1.00 0.00 C ATOM 1098 O TRP A 71 7.278 -0.929 -5.297 1.00 0.00 O ATOM 1099 CB TRP A 71 7.426 -0.892 -8.654 1.00 0.00 C ATOM 1100 CG TRP A 71 8.160 -0.897 -9.997 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.275 -0.232 -10.331 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.782 -1.631 -11.180 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.642 -0.484 -11.637 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.705 -1.362 -12.170 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.696 -2.496 -11.407 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.637 -1.916 -13.453 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.642 -3.041 -12.694 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.564 -2.780 -13.702 1.00 0.00 C ATOM 0 H TRP A 71 7.603 -2.970 -6.973 1.00 0.00 H new ATOM 0 HA TRP A 71 9.304 -0.648 -7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.684 -1.690 -8.654 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.883 0.048 -8.552 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.818 0.419 -9.662 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.452 -0.097 -12.122 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.962 -2.721 -10.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.373 -1.689 -14.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.827 -3.712 -12.921 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.453 -3.242 -14.672 1.00 0.00 H new ATOM 1119 N GLN A 72 8.081 0.981 -6.203 1.00 0.00 N ATOM 1120 CA GLN A 72 7.664 1.815 -5.089 1.00 0.00 C ATOM 1121 C GLN A 72 7.131 3.155 -5.601 1.00 0.00 C ATOM 1122 O GLN A 72 7.906 4.042 -5.954 1.00 0.00 O ATOM 1123 CB GLN A 72 8.812 2.024 -4.099 1.00 0.00 C ATOM 1124 CG GLN A 72 8.280 2.357 -2.704 1.00 0.00 C ATOM 1125 CD GLN A 72 8.010 1.082 -1.903 1.00 0.00 C ATOM 1126 OE1 GLN A 72 8.816 0.639 -1.100 1.00 0.00 O ATOM 1127 NE2 GLN A 72 6.834 0.518 -2.163 1.00 0.00 N ATOM 0 H GLN A 72 8.553 1.480 -6.957 1.00 0.00 H new ATOM 0 HA GLN A 72 6.860 1.304 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.425 1.124 -4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.456 2.831 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.002 2.978 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.362 2.938 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.206 0.940 -2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.560 -0.337 -1.679 1.00 0.00 H new ATOM 1136 N LEU A 73 5.810 3.261 -5.624 1.00 0.00 N ATOM 1137 CA LEU A 73 5.164 4.477 -6.087 1.00 0.00 C ATOM 1138 C LEU A 73 5.767 5.679 -5.357 1.00 0.00 C ATOM 1139 O LEU A 73 5.728 5.749 -4.129 1.00 0.00 O ATOM 1140 CB LEU A 73 3.646 4.367 -5.938 1.00 0.00 C ATOM 1141 CG LEU A 73 2.869 5.684 -5.996 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.360 6.560 -7.151 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.362 5.428 -6.071 1.00 0.00 C ATOM 0 H LEU A 73 5.170 2.524 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 73 5.347 4.624 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.270 3.712 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.428 3.881 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 73 3.057 6.233 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.791 7.490 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.418 6.784 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.221 6.031 -8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.833 6.380 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.135 4.849 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.043 4.873 -5.189 1.00 0.00 H new ATOM 1155 N TYR A 74 6.313 6.596 -6.143 1.00 0.00 N ATOM 1156 CA TYR A 74 6.923 7.791 -5.588 1.00 0.00 C ATOM 1157 C TYR A 74 6.074 9.029 -5.884 1.00 0.00 C ATOM 1158 O TYR A 74 5.000 8.922 -6.472 1.00 0.00 O ATOM 1159 CB TYR A 74 8.276 7.937 -6.286 1.00 0.00 C ATOM 1160 CG TYR A 74 9.477 7.847 -5.341 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.489 6.910 -4.327 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.549 8.701 -5.503 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.618 6.825 -3.439 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.678 8.616 -4.615 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.658 7.682 -3.626 1.00 0.00 C ATOM 1166 OH TYR A 74 12.724 7.602 -2.786 1.00 0.00 O ATOM 0 H TYR A 74 6.345 6.534 -7.161 1.00 0.00 H new ATOM 0 HA TYR A 74 7.018 7.705 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.366 7.162 -7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.305 8.896 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.651 6.241 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.540 9.433 -6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.639 6.097 -2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.523 9.279 -4.731 1.00 0.00 H new ATOM 0 HH TYR A 74 13.487 7.212 -3.262 1.00 0.00 H new ATOM 1176 N PRO A 75 6.603 10.205 -5.451 1.00 0.00 N ATOM 1177 CA PRO A 75 5.905 11.462 -5.663 1.00 0.00 C ATOM 1178 C PRO A 75 6.013 11.910 -7.121 1.00 0.00 C ATOM 1179 O PRO A 75 6.596 11.209 -7.948 1.00 0.00 O ATOM 1180 CB PRO A 75 6.549 12.438 -4.692 1.00 0.00 C ATOM 1181 CG PRO A 75 7.884 11.823 -4.307 1.00 0.00 C ATOM 1182 CD PRO A 75 7.873 10.370 -4.750 1.00 0.00 C ATOM 0 HA PRO A 75 4.834 11.385 -5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.688 13.415 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.920 12.588 -3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.704 12.361 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.040 11.893 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.717 10.149 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.945 9.695 -3.897 1.00 0.00 H new ATOM 1190 N GLU A 76 5.443 13.074 -7.393 1.00 0.00 N ATOM 1191 CA GLU A 76 5.469 13.625 -8.738 1.00 0.00 C ATOM 1192 C GLU A 76 4.562 12.810 -9.662 1.00 0.00 C ATOM 1193 O GLU A 76 3.448 13.229 -9.971 1.00 0.00 O ATOM 1194 CB GLU A 76 6.898 13.678 -9.281 1.00 0.00 C ATOM 1195 CG GLU A 76 7.736 14.708 -8.520 1.00 0.00 C ATOM 1196 CD GLU A 76 8.758 14.021 -7.612 1.00 0.00 C ATOM 1197 OE1 GLU A 76 8.472 13.779 -6.429 1.00 0.00 O ATOM 1198 OE2 GLU A 76 9.883 13.735 -8.175 1.00 0.00 O ATOM 0 H GLU A 76 4.960 13.652 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 76 5.092 14.647 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.360 12.694 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.879 13.931 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.252 15.357 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.083 15.344 -7.922 1.00 0.00 H new ATOM 1206 N GLU A 77 5.073 11.660 -10.078 1.00 0.00 N ATOM 1207 CA GLU A 77 4.323 10.783 -10.960 1.00 0.00 C ATOM 1208 C GLU A 77 5.251 9.740 -11.585 1.00 0.00 C ATOM 1209 O GLU A 77 5.256 9.558 -12.802 1.00 0.00 O ATOM 1210 CB GLU A 77 3.593 11.585 -12.039 1.00 0.00 C ATOM 1211 CG GLU A 77 4.515 12.641 -12.655 1.00 0.00 C ATOM 1212 CD GLU A 77 3.908 13.220 -13.934 1.00 0.00 C ATOM 1213 OE1 GLU A 77 2.690 13.447 -13.995 1.00 0.00 O ATOM 1214 OE2 GLU A 77 4.749 13.435 -14.889 1.00 0.00 O ATOM 0 H GLU A 77 5.998 11.316 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 77 3.569 10.262 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.234 10.912 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.717 12.069 -11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.688 13.442 -11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.485 12.197 -12.877 1.00 0.00 H new ATOM 1222 N ARG A 78 6.013 9.081 -10.725 1.00 0.00 N ATOM 1223 CA ARG A 78 6.943 8.060 -11.177 1.00 0.00 C ATOM 1224 C ARG A 78 7.087 6.965 -10.118 1.00 0.00 C ATOM 1225 O ARG A 78 6.753 7.177 -8.953 1.00 0.00 O ATOM 1226 CB ARG A 78 8.319 8.659 -11.472 1.00 0.00 C ATOM 1227 CG ARG A 78 8.188 10.033 -12.136 1.00 0.00 C ATOM 1228 CD ARG A 78 9.535 10.757 -12.167 1.00 0.00 C ATOM 1229 NE ARG A 78 10.161 10.607 -13.500 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.232 11.312 -13.918 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.809 12.226 -13.108 1.00 0.00 N ATOM 1232 NH2 ARG A 78 11.709 11.097 -15.130 1.00 0.00 N ATOM 0 H ARG A 78 6.005 9.234 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 78 6.542 7.631 -12.095 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.886 8.751 -10.545 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.880 7.988 -12.123 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.811 9.916 -13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.460 10.635 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.394 11.814 -11.939 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.193 10.350 -11.399 1.00 0.00 H new ATOM 0 HE ARG A 78 9.756 9.927 -14.144 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.435 12.387 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.619 12.755 -13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.268 10.405 -15.736 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.518 11.623 -15.460 1.00 0.00 H new ATOM 1245 N TYR A 79 7.584 5.820 -10.560 1.00 0.00 N ATOM 1246 CA TYR A 79 7.776 4.692 -9.664 1.00 0.00 C ATOM 1247 C TYR A 79 9.262 4.466 -9.379 1.00 0.00 C ATOM 1248 O TYR A 79 10.061 4.326 -10.303 1.00 0.00 O ATOM 1249 CB TYR A 79 7.218 3.471 -10.398 1.00 0.00 C ATOM 1250 CG TYR A 79 5.761 3.153 -10.057 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.939 4.141 -9.554 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.269 1.879 -10.254 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.567 3.840 -9.233 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.898 1.579 -9.933 1.00 0.00 C ATOM 1255 CZ TYR A 79 3.114 2.575 -9.439 1.00 0.00 C ATOM 1256 OH TYR A 79 1.819 2.293 -9.136 1.00 0.00 O ATOM 0 H TYR A 79 7.860 5.648 -11.527 1.00 0.00 H new ATOM 0 HA TYR A 79 7.279 4.870 -8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.301 3.636 -11.472 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.834 2.604 -10.160 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.324 5.139 -9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.912 1.107 -10.649 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.913 4.603 -8.837 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.501 0.586 -10.081 1.00 0.00 H new ATOM 0 HH TYR A 79 1.788 1.653 -8.394 1.00 0.00 H new ATOM 1266 N MET A 80 9.588 4.438 -8.095 1.00 0.00 N ATOM 1267 CA MET A 80 10.964 4.232 -7.677 1.00 0.00 C ATOM 1268 C MET A 80 11.194 2.781 -7.245 1.00 0.00 C ATOM 1269 O MET A 80 10.617 2.324 -6.260 1.00 0.00 O ATOM 1270 CB MET A 80 11.290 5.169 -6.511 1.00 0.00 C ATOM 1271 CG MET A 80 12.722 4.952 -6.017 1.00 0.00 C ATOM 1272 SD MET A 80 13.492 6.525 -5.675 1.00 0.00 S ATOM 1273 CE MET A 80 15.145 6.196 -6.264 1.00 0.00 C ATOM 0 H MET A 80 8.923 4.555 -7.331 1.00 0.00 H new ATOM 0 HA MET A 80 11.617 4.449 -8.522 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.163 6.205 -6.826 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.590 4.996 -5.694 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.716 4.337 -5.117 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.297 4.412 -6.769 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.764 7.082 -6.124 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.572 5.363 -5.705 1.00 0.00 H new ATOM 0 HE3 MET A 80 15.110 5.941 -7.323 1.00 0.00 H new ATOM 1283 N ASP A 81 12.039 2.099 -8.004 1.00 0.00 N ATOM 1284 CA ASP A 81 12.352 0.710 -7.713 1.00 0.00 C ATOM 1285 C ASP A 81 13.437 0.652 -6.635 1.00 0.00 C ATOM 1286 O ASP A 81 13.832 1.682 -6.091 1.00 0.00 O ATOM 1287 CB ASP A 81 12.882 -0.007 -8.956 1.00 0.00 C ATOM 1288 CG ASP A 81 14.304 0.380 -9.369 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.015 1.076 -8.632 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.679 -0.071 -10.518 1.00 0.00 O ATOM 0 H ASP A 81 12.517 2.482 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 81 11.438 0.221 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.851 -1.082 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.210 0.197 -9.789 1.00 0.00 H new ATOM 1296 N ASN A 82 13.887 -0.563 -6.359 1.00 0.00 N ATOM 1297 CA ASN A 82 14.918 -0.769 -5.356 1.00 0.00 C ATOM 1298 C ASN A 82 16.231 -1.139 -6.048 1.00 0.00 C ATOM 1299 O ASN A 82 17.258 -1.303 -5.392 1.00 0.00 O ATOM 1300 CB ASN A 82 14.544 -1.912 -4.410 1.00 0.00 C ATOM 1301 CG ASN A 82 14.940 -1.584 -2.969 1.00 0.00 C ATOM 1302 OD1 ASN A 82 16.098 -1.369 -2.650 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.917 -1.554 -2.120 1.00 0.00 N ATOM 0 H ASN A 82 13.557 -1.415 -6.812 1.00 0.00 H new ATOM 0 HA ASN A 82 15.022 0.154 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.471 -2.096 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.041 -2.829 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.077 -1.341 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.972 -1.744 -2.453 1.00 0.00 H new ATOM 1310 N ASN A 83 16.155 -1.258 -7.366 1.00 0.00 N ATOM 1311 CA ASN A 83 17.325 -1.604 -8.154 1.00 0.00 C ATOM 1312 C ASN A 83 18.182 -0.354 -8.364 1.00 0.00 C ATOM 1313 O ASN A 83 19.256 -0.426 -8.960 1.00 0.00 O ATOM 1314 CB ASN A 83 16.923 -2.138 -9.531 1.00 0.00 C ATOM 1315 CG ASN A 83 17.991 -3.084 -10.085 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.640 -3.821 -9.361 1.00 0.00 O ATOM 1317 ND2 ASN A 83 18.135 -3.022 -11.405 1.00 0.00 N ATOM 0 H ASN A 83 15.301 -1.121 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 83 17.878 -2.373 -7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.970 -2.662 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.777 -1.306 -10.219 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.822 -3.614 -11.871 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.558 -2.382 -11.951 1.00 0.00 H new ATOM 1324 N SER A 84 17.676 0.763 -7.862 1.00 0.00 N ATOM 1325 CA SER A 84 18.382 2.026 -7.987 1.00 0.00 C ATOM 1326 C SER A 84 17.995 2.716 -9.296 1.00 0.00 C ATOM 1327 O SER A 84 18.840 3.308 -9.964 1.00 0.00 O ATOM 1328 CB SER A 84 19.897 1.819 -7.923 1.00 0.00 C ATOM 1329 OG SER A 84 20.554 2.887 -7.244 1.00 0.00 O ATOM 0 H SER A 84 16.785 0.819 -7.368 1.00 0.00 H new ATOM 0 HA SER A 84 18.094 2.662 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.113 0.879 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.294 1.734 -8.934 1.00 0.00 H new ATOM 0 HG SER A 84 21.519 2.717 -7.223 1.00 0.00 H new ATOM 1335 N ARG A 85 16.714 2.616 -9.624 1.00 0.00 N ATOM 1336 CA ARG A 85 16.204 3.221 -10.843 1.00 0.00 C ATOM 1337 C ARG A 85 14.804 3.790 -10.607 1.00 0.00 C ATOM 1338 O ARG A 85 14.066 3.299 -9.756 1.00 0.00 O ATOM 1339 CB ARG A 85 16.148 2.200 -11.982 1.00 0.00 C ATOM 1340 CG ARG A 85 17.424 1.358 -12.027 1.00 0.00 C ATOM 1341 CD ARG A 85 17.424 0.428 -13.242 1.00 0.00 C ATOM 1342 NE ARG A 85 18.545 0.774 -14.144 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.060 -0.065 -15.068 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.557 -1.308 -15.220 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.062 0.350 -15.821 1.00 0.00 N ATOM 0 H ARG A 85 16.015 2.125 -9.067 1.00 0.00 H new ATOM 0 HA ARG A 85 16.884 4.025 -11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.283 1.550 -11.850 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.016 2.717 -12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.295 2.012 -12.065 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.508 0.769 -11.114 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.515 -0.608 -12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.477 0.513 -13.776 1.00 0.00 H new ATOM 0 HE ARG A 85 18.954 1.705 -14.063 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.782 -1.620 -14.635 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.952 -1.936 -15.920 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.435 1.292 -15.700 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.463 -0.271 -16.524 1.00 0.00 H new ATOM 1358 N LEU A 86 14.482 4.819 -11.377 1.00 0.00 N ATOM 1359 CA LEU A 86 13.184 5.461 -11.263 1.00 0.00 C ATOM 1360 C LEU A 86 12.449 5.357 -12.600 1.00 0.00 C ATOM 1361 O LEU A 86 12.887 5.926 -13.600 1.00 0.00 O ATOM 1362 CB LEU A 86 13.339 6.897 -10.756 1.00 0.00 C ATOM 1363 CG LEU A 86 12.184 7.438 -9.911 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.409 8.908 -9.551 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.842 7.219 -10.612 1.00 0.00 C ATOM 0 H LEU A 86 15.098 5.224 -12.082 1.00 0.00 H new ATOM 0 HA LEU A 86 12.570 4.950 -10.521 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.254 6.956 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.472 7.553 -11.616 1.00 0.00 H new ATOM 0 HG LEU A 86 12.154 6.878 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.573 9.268 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.334 9.006 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.480 9.499 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.038 7.613 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.844 7.736 -11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.686 6.152 -10.774 1.00 0.00 H new ATOM 1377 N TRP A 87 11.344 4.626 -12.577 1.00 0.00 N ATOM 1378 CA TRP A 87 10.543 4.442 -13.775 1.00 0.00 C ATOM 1379 C TRP A 87 9.497 5.557 -13.822 1.00 0.00 C ATOM 1380 O TRP A 87 8.900 5.896 -12.801 1.00 0.00 O ATOM 1381 CB TRP A 87 9.926 3.043 -13.812 1.00 0.00 C ATOM 1382 CG TRP A 87 10.952 1.909 -13.755 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.955 1.747 -12.881 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.035 0.778 -14.649 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.676 0.599 -13.144 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.098 -0.009 -14.253 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.238 0.432 -15.754 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.462 -1.192 -14.908 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.614 -0.754 -16.397 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.682 -1.557 -16.012 1.00 0.00 C ATOM 0 H TRP A 87 10.985 4.154 -11.747 1.00 0.00 H new ATOM 0 HA TRP A 87 11.165 4.511 -14.668 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.237 2.939 -12.974 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.337 2.941 -14.723 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.172 2.429 -12.072 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.483 0.260 -12.621 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.402 1.033 -16.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.299 -1.790 -14.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 10.033 -1.067 -17.252 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.909 -2.458 -16.562 1.00 0.00 H new ATOM 1401 N GLN A 88 9.307 6.097 -15.017 1.00 0.00 N ATOM 1402 CA GLN A 88 8.343 7.167 -15.211 1.00 0.00 C ATOM 1403 C GLN A 88 6.997 6.594 -15.659 1.00 0.00 C ATOM 1404 O GLN A 88 6.907 5.964 -16.712 1.00 0.00 O ATOM 1405 CB GLN A 88 8.862 8.198 -16.214 1.00 0.00 C ATOM 1406 CG GLN A 88 7.719 9.057 -16.759 1.00 0.00 C ATOM 1407 CD GLN A 88 8.172 10.504 -16.969 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.351 10.810 -17.030 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.171 11.372 -17.076 1.00 0.00 N ATOM 0 H GLN A 88 9.805 5.813 -15.861 1.00 0.00 H new ATOM 0 HA GLN A 88 8.199 7.677 -14.259 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.604 8.836 -15.734 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.364 7.689 -17.037 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.366 8.642 -17.703 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.878 9.032 -16.066 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.206 11.047 -17.016 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.368 12.363 -17.218 1.00 0.00 H new ATOM 1418 N ILE A 89 5.985 6.833 -14.839 1.00 0.00 N ATOM 1419 CA ILE A 89 4.648 6.349 -15.138 1.00 0.00 C ATOM 1420 C ILE A 89 4.207 6.892 -16.499 1.00 0.00 C ATOM 1421 O ILE A 89 3.604 7.962 -16.578 1.00 0.00 O ATOM 1422 CB ILE A 89 3.687 6.690 -13.998 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.156 6.069 -12.681 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.255 6.280 -14.347 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.805 4.581 -12.621 1.00 0.00 C ATOM 0 H ILE A 89 6.064 7.356 -13.967 1.00 0.00 H new ATOM 0 HA ILE A 89 4.644 5.262 -15.212 1.00 0.00 H new ATOM 0 HB ILE A 89 3.688 7.772 -13.862 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.234 6.197 -12.578 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.692 6.590 -11.844 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.592 6.534 -13.520 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.934 6.808 -15.245 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.218 5.205 -14.526 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.149 4.164 -11.675 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.725 4.459 -12.700 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.290 4.059 -13.446 1.00 0.00 H new ATOM 1437 N GLN A 90 4.522 6.129 -17.535 1.00 0.00 N ATOM 1438 CA GLN A 90 4.166 6.521 -18.888 1.00 0.00 C ATOM 1439 C GLN A 90 2.692 6.929 -18.953 1.00 0.00 C ATOM 1440 O GLN A 90 2.355 7.965 -19.524 1.00 0.00 O ATOM 1441 CB GLN A 90 4.467 5.398 -19.881 1.00 0.00 C ATOM 1442 CG GLN A 90 5.426 5.874 -20.975 1.00 0.00 C ATOM 1443 CD GLN A 90 4.665 6.561 -22.110 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.621 6.113 -22.553 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.243 7.674 -22.554 1.00 0.00 N ATOM 0 H GLN A 90 5.020 5.241 -17.465 1.00 0.00 H new ATOM 0 HA GLN A 90 4.774 7.382 -19.167 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.903 4.549 -19.354 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.539 5.049 -20.333 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.154 6.565 -20.550 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.985 5.025 -21.369 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.118 7.995 -22.139 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.811 8.207 -23.309 1.00 0.00 H new ATOM 1454 N HIS A 91 1.854 6.094 -18.358 1.00 0.00 N ATOM 1455 CA HIS A 91 0.425 6.354 -18.339 1.00 0.00 C ATOM 1456 C HIS A 91 -0.273 5.326 -17.447 1.00 0.00 C ATOM 1457 O HIS A 91 0.072 4.146 -17.466 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.140 6.385 -19.761 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.809 5.100 -20.184 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -0.545 4.481 -21.394 1.00 0.00 N ATOM 1461 CD2 HIS A 91 -1.731 4.323 -19.548 1.00 0.00 C ATOM 1462 CE1 HIS A 91 -1.282 3.383 -21.472 1.00 0.00 C ATOM 1463 NE2 HIS A 91 -2.017 3.287 -20.326 1.00 0.00 N ATOM 0 H HIS A 91 2.137 5.236 -17.885 1.00 0.00 H new ATOM 0 HA HIS A 91 0.237 7.340 -17.913 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.860 7.200 -19.837 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.668 6.608 -20.457 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.157 4.518 -18.575 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.298 2.686 -22.297 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.677 2.542 -20.104 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.242 5.812 -16.685 1.00 0.00 N ATOM 1472 CA HIS A 92 -1.992 4.951 -15.786 1.00 0.00 C ATOM 1473 C HIS A 92 -3.484 5.272 -15.893 1.00 0.00 C ATOM 1474 O HIS A 92 -3.920 6.351 -15.496 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.461 5.065 -14.356 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.220 4.230 -13.351 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.875 4.777 -12.263 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -2.419 2.882 -13.282 1.00 0.00 C ATOM 1479 CE1 HIS A 92 -3.439 3.795 -11.576 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -3.155 2.621 -12.210 1.00 0.00 N ATOM 0 H HIS A 92 -1.525 6.792 -16.672 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.859 3.909 -16.079 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.413 4.766 -14.344 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.499 6.110 -14.047 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.041 2.151 -13.982 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.021 3.904 -10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.459 1.695 -11.909 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.225 4.315 -16.431 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.659 4.483 -16.595 1.00 0.00 C ATOM 1490 C LEU A 93 -6.331 3.109 -16.603 1.00 0.00 C ATOM 1491 O LEU A 93 -5.684 2.095 -16.344 1.00 0.00 O ATOM 1492 CB LEU A 93 -5.962 5.322 -17.839 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.111 5.021 -19.074 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.263 3.561 -19.503 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -5.436 5.990 -20.213 1.00 0.00 C ATOM 0 H LEU A 93 -3.860 3.421 -16.759 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.076 5.038 -15.755 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.010 5.181 -18.102 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.836 6.374 -17.583 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.064 5.171 -18.812 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.647 3.374 -20.383 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.943 2.908 -18.691 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.307 3.359 -19.741 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.817 5.754 -21.079 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.488 5.895 -20.482 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.234 7.011 -19.890 1.00 0.00 H new ATOM 1507 N MET A 94 -7.622 3.118 -16.903 1.00 0.00 N ATOM 1508 CA MET A 94 -8.389 1.885 -16.949 1.00 0.00 C ATOM 1509 C MET A 94 -8.787 1.539 -18.385 1.00 0.00 C ATOM 1510 O MET A 94 -9.414 2.345 -19.069 1.00 0.00 O ATOM 1511 CB MET A 94 -9.647 2.034 -16.091 1.00 0.00 C ATOM 1512 CG MET A 94 -10.728 1.043 -16.528 1.00 0.00 C ATOM 1513 SD MET A 94 -11.637 0.465 -15.104 1.00 0.00 S ATOM 1514 CE MET A 94 -10.439 -0.660 -14.407 1.00 0.00 C ATOM 0 H MET A 94 -8.156 3.960 -17.117 1.00 0.00 H new ATOM 0 HA MET A 94 -7.767 1.078 -16.561 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.399 1.868 -15.043 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.028 3.052 -16.171 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.407 1.521 -17.234 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.272 0.199 -17.046 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.937 -1.582 -14.107 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.675 -0.885 -15.151 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.972 -0.200 -13.536 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.406 0.339 -18.798 1.00 0.00 N ATOM 1525 CA VAL A 95 -8.717 -0.124 -20.140 1.00 0.00 C ATOM 1526 C VAL A 95 -9.444 -1.467 -20.055 1.00 0.00 C ATOM 1527 O VAL A 95 -8.982 -2.386 -19.380 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.439 -0.187 -20.980 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -7.637 -1.075 -22.211 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -6.979 1.215 -21.383 1.00 0.00 C ATOM 0 H VAL A 95 -7.885 -0.327 -18.227 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.385 0.576 -20.641 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.655 -0.633 -20.367 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.715 -1.103 -22.791 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.897 -2.085 -21.893 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.440 -0.670 -22.826 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.069 1.142 -21.979 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.759 1.699 -21.970 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.780 1.804 -20.488 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.570 -1.540 -20.750 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.366 -2.755 -20.763 1.00 0.00 C ATOM 1542 C ARG A 96 -11.572 -3.268 -19.337 1.00 0.00 C ATOM 1543 O ARG A 96 -11.570 -4.475 -19.100 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.692 -3.846 -21.597 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.024 -3.685 -23.082 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.355 -4.357 -23.422 1.00 0.00 C ATOM 1547 NE ARG A 96 -12.771 -3.992 -24.795 1.00 0.00 N ATOM 1548 CZ ARG A 96 -13.933 -4.381 -25.362 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -14.805 -5.151 -24.679 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -14.203 -3.995 -26.596 1.00 0.00 N ATOM 0 H ARG A 96 -10.950 -0.776 -21.309 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.331 -2.515 -21.210 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.612 -3.802 -21.455 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.019 -4.827 -21.252 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.072 -2.626 -23.335 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.228 -4.121 -23.686 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.257 -5.439 -23.339 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.119 -4.050 -22.708 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.141 -3.410 -25.347 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.589 -5.444 -23.726 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.680 -5.440 -25.115 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.538 -3.412 -27.105 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.076 -4.280 -27.040 1.00 0.00 H new ATOM 1563 N GLY A 97 -11.745 -2.325 -18.422 1.00 0.00 N ATOM 1564 CA GLY A 97 -11.954 -2.667 -17.025 1.00 0.00 C ATOM 1565 C GLY A 97 -10.687 -3.267 -16.412 1.00 0.00 C ATOM 1566 O GLY A 97 -10.758 -4.014 -15.437 1.00 0.00 O ATOM 0 H GLY A 97 -11.745 -1.325 -18.621 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.245 -1.776 -16.468 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.775 -3.378 -16.940 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.557 -2.919 -17.008 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.275 -3.413 -16.533 1.00 0.00 C ATOM 1572 C VAL A 98 -7.287 -2.249 -16.441 1.00 0.00 C ATOM 1573 O VAL A 98 -6.840 -1.726 -17.460 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.783 -4.545 -17.438 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.255 -4.584 -17.484 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.354 -5.891 -16.991 1.00 0.00 C ATOM 0 H VAL A 98 -9.502 -2.300 -17.817 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.375 -3.834 -15.533 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.143 -4.348 -18.448 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.931 -5.397 -18.134 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.878 -3.638 -17.872 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.865 -4.745 -16.479 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.989 -6.678 -17.651 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.038 -6.099 -15.969 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.443 -5.857 -17.035 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.975 -1.876 -15.208 1.00 0.00 N ATOM 1587 CA GLN A 99 -6.047 -0.784 -14.968 1.00 0.00 C ATOM 1588 C GLN A 99 -4.675 -1.114 -15.559 1.00 0.00 C ATOM 1589 O GLN A 99 -3.993 -2.022 -15.087 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.939 -0.474 -13.474 1.00 0.00 C ATOM 1591 CG GLN A 99 -5.709 -1.751 -12.664 1.00 0.00 C ATOM 1592 CD GLN A 99 -6.752 -1.891 -11.552 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.220 -0.921 -10.980 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -7.088 -3.149 -11.280 1.00 0.00 N ATOM 0 H GLN A 99 -7.349 -2.311 -14.364 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.430 0.108 -15.464 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.119 0.223 -13.302 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.851 0.017 -13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.757 -2.618 -13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.709 -1.735 -12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.657 -3.915 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.776 -3.347 -10.554 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.311 -0.358 -16.585 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.033 -0.559 -17.246 1.00 0.00 C ATOM 1605 C GLU A 100 -2.057 0.557 -16.864 1.00 0.00 C ATOM 1606 O GLU A 100 -2.302 1.727 -17.155 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.207 -0.639 -18.764 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.851 -0.684 -19.470 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.024 -0.875 -20.978 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.579 -0.027 -21.765 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.644 -1.951 -21.324 1.00 0.00 O ATOM 0 H GLU A 100 -4.879 0.394 -16.974 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.618 -1.509 -16.911 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.784 -1.527 -19.021 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.775 0.223 -19.114 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.306 0.240 -19.277 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.252 -1.499 -19.063 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.972 0.155 -16.218 1.00 0.00 N ATOM 1620 CA LEU A 101 0.042 1.105 -15.795 1.00 0.00 C ATOM 1621 C LEU A 101 1.280 0.953 -16.680 1.00 0.00 C ATOM 1622 O LEU A 101 1.851 -0.133 -16.771 1.00 0.00 O ATOM 1623 CB LEU A 101 0.330 0.949 -14.300 1.00 0.00 C ATOM 1624 CG LEU A 101 0.740 2.225 -13.560 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.803 1.986 -12.050 1.00 0.00 C ATOM 1626 CD2 LEU A 101 2.058 2.777 -14.108 1.00 0.00 C ATOM 0 H LEU A 101 -0.773 -0.816 -15.977 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.316 2.127 -15.923 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.560 0.544 -13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.123 0.211 -14.178 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.024 2.982 -13.735 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.096 2.908 -11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.177 1.673 -11.690 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.534 1.207 -11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.327 3.683 -13.565 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.844 2.033 -13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.943 3.009 -15.167 1.00 0.00 H new ATOM 1638 N LEU A 102 1.658 2.055 -17.309 1.00 0.00 N ATOM 1639 CA LEU A 102 2.819 2.057 -18.183 1.00 0.00 C ATOM 1640 C LEU A 102 4.017 2.639 -17.431 1.00 0.00 C ATOM 1641 O LEU A 102 3.964 3.770 -16.950 1.00 0.00 O ATOM 1642 CB LEU A 102 2.502 2.785 -19.492 1.00 0.00 C ATOM 1643 CG LEU A 102 1.269 2.291 -20.252 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.448 2.469 -21.760 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.939 0.844 -19.881 1.00 0.00 C ATOM 0 H LEU A 102 1.181 2.953 -17.231 1.00 0.00 H new ATOM 0 HA LEU A 102 3.084 1.039 -18.467 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.369 3.844 -19.273 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.367 2.702 -20.150 1.00 0.00 H new ATOM 0 HG LEU A 102 0.417 2.902 -19.954 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.558 2.110 -22.277 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.598 3.525 -21.986 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.315 1.899 -22.093 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.059 0.518 -20.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.784 0.202 -20.132 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.739 0.779 -18.811 1.00 0.00 H new ATOM 1657 N LEU A 103 5.071 1.840 -17.353 1.00 0.00 N ATOM 1658 CA LEU A 103 6.281 2.261 -16.667 1.00 0.00 C ATOM 1659 C LEU A 103 7.404 2.447 -17.690 1.00 0.00 C ATOM 1660 O LEU A 103 7.646 1.569 -18.517 1.00 0.00 O ATOM 1661 CB LEU A 103 6.629 1.282 -15.545 1.00 0.00 C ATOM 1662 CG LEU A 103 5.811 1.419 -14.258 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.859 0.129 -13.437 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.268 2.633 -13.445 1.00 0.00 C ATOM 0 H LEU A 103 5.112 0.903 -17.754 1.00 0.00 H new ATOM 0 HA LEU A 103 6.127 3.225 -16.182 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.506 0.267 -15.924 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.683 1.404 -15.297 1.00 0.00 H new ATOM 0 HG LEU A 103 4.769 1.587 -14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.270 0.254 -12.528 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.449 -0.692 -14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.892 -0.095 -13.172 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.671 2.708 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.319 2.519 -13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.139 3.538 -14.039 1.00 0.00 H new ATOM 1676 N LYS A 104 8.059 3.595 -17.600 1.00 0.00 N ATOM 1677 CA LYS A 104 9.150 3.906 -18.507 1.00 0.00 C ATOM 1678 C LYS A 104 10.430 4.135 -17.699 1.00 0.00 C ATOM 1679 O LYS A 104 10.489 5.040 -16.867 1.00 0.00 O ATOM 1680 CB LYS A 104 8.776 5.082 -19.411 1.00 0.00 C ATOM 1681 CG LYS A 104 9.755 5.209 -20.580 1.00 0.00 C ATOM 1682 CD LYS A 104 9.182 4.568 -21.846 1.00 0.00 C ATOM 1683 CE LYS A 104 8.421 5.597 -22.685 1.00 0.00 C ATOM 1684 NZ LYS A 104 7.501 4.919 -23.627 1.00 0.00 N ATOM 0 H LYS A 104 7.855 4.321 -16.913 1.00 0.00 H new ATOM 0 HA LYS A 104 9.340 3.067 -19.176 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.764 4.944 -19.793 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.775 6.005 -18.831 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.970 6.261 -20.766 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.700 4.731 -20.322 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.990 4.137 -22.437 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.515 3.750 -21.574 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.857 6.262 -22.031 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.126 6.217 -23.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.676 5.264 -24.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.663 3.892 -23.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.517 5.124 -23.359 1.00 0.00 H new ATOM 1697 N LEU A 105 11.421 3.300 -17.973 1.00 0.00 N ATOM 1698 CA LEU A 105 12.695 3.401 -17.282 1.00 0.00 C ATOM 1699 C LEU A 105 13.666 4.228 -18.129 1.00 0.00 C ATOM 1700 O LEU A 105 13.989 3.852 -19.254 1.00 0.00 O ATOM 1701 CB LEU A 105 13.223 2.009 -16.926 1.00 0.00 C ATOM 1702 CG LEU A 105 14.596 1.964 -16.254 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.694 3.003 -15.134 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.917 0.554 -15.755 1.00 0.00 C ATOM 0 H LEU A 105 11.368 2.551 -18.663 1.00 0.00 H new ATOM 0 HA LEU A 105 12.573 3.924 -16.333 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.502 1.526 -16.266 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.268 1.415 -17.839 1.00 0.00 H new ATOM 0 HG LEU A 105 15.348 2.222 -17.000 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.680 2.949 -14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.541 4.000 -15.548 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.931 2.801 -14.382 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.899 0.550 -15.281 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.164 0.244 -15.031 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.918 -0.139 -16.597 1.00 0.00 H new ATOM 1716 N LEU A 106 14.101 5.340 -17.553 1.00 0.00 N ATOM 1717 CA LEU A 106 15.026 6.224 -18.241 1.00 0.00 C ATOM 1718 C LEU A 106 16.450 5.944 -17.755 1.00 0.00 C ATOM 1719 O LEU A 106 16.643 5.375 -16.681 1.00 0.00 O ATOM 1720 CB LEU A 106 14.596 7.683 -18.076 1.00 0.00 C ATOM 1721 CG LEU A 106 14.252 8.124 -16.652 1.00 0.00 C ATOM 1722 CD1 LEU A 106 15.076 9.347 -16.244 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.750 8.368 -16.502 1.00 0.00 C ATOM 0 H LEU A 106 13.830 5.648 -16.619 1.00 0.00 H new ATOM 0 HA LEU A 106 15.011 6.031 -19.314 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.397 8.321 -18.449 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.727 7.859 -18.710 1.00 0.00 H new ATOM 0 HG LEU A 106 14.516 7.316 -15.970 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.813 9.641 -15.228 1.00 0.00 H new ATOM 0 HD12 LEU A 106 16.137 9.102 -16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.866 10.171 -16.926 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.532 8.680 -15.481 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.437 9.149 -17.195 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.208 7.449 -16.723 1.00 0.00 H new ATOM 1735 N PRO A 107 17.436 6.369 -18.590 1.00 0.00 N ATOM 1736 CA PRO A 107 18.837 6.170 -18.256 1.00 0.00 C ATOM 1737 C PRO A 107 19.286 7.149 -17.169 1.00 0.00 C ATOM 1738 O PRO A 107 19.161 8.362 -17.332 1.00 0.00 O ATOM 1739 CB PRO A 107 19.584 6.353 -19.566 1.00 0.00 C ATOM 1740 CG PRO A 107 18.634 7.102 -20.486 1.00 0.00 C ATOM 1741 CD PRO A 107 17.246 7.048 -19.867 1.00 0.00 C ATOM 0 HA PRO A 107 19.033 5.183 -17.836 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.506 6.915 -19.415 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.864 5.390 -19.994 1.00 0.00 H new ATOM 0 HG2 PRO A 107 18.957 8.136 -20.609 1.00 0.00 H new ATOM 0 HG3 PRO A 107 18.627 6.650 -21.478 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.836 8.048 -19.727 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.549 6.504 -20.505 1.00 0.00 H new ATOM 1749 N ASP A 108 19.799 6.586 -16.085 1.00 0.00 N ATOM 1750 CA ASP A 108 20.269 7.394 -14.973 1.00 0.00 C ATOM 1751 C ASP A 108 20.996 8.626 -15.514 1.00 0.00 C ATOM 1752 O ASP A 108 22.090 8.512 -16.066 1.00 0.00 O ATOM 1753 CB ASP A 108 21.250 6.611 -14.099 1.00 0.00 C ATOM 1754 CG ASP A 108 21.709 7.337 -12.832 1.00 0.00 C ATOM 1755 OD1 ASP A 108 22.699 8.084 -12.848 1.00 0.00 O ATOM 1756 OD2 ASP A 108 20.995 7.108 -11.783 1.00 0.00 O ATOM 0 H ASP A 108 19.899 5.580 -15.953 1.00 0.00 H new ATOM 0 HA ASP A 108 19.404 7.680 -14.375 1.00 0.00 H new ATOM 0 HB2 ASP A 108 20.784 5.668 -13.811 1.00 0.00 H new ATOM 0 HB3 ASP A 108 22.128 6.364 -14.696 1.00 0.00 H new ATOM 1762 N ASP A 109 20.361 9.775 -15.338 1.00 0.00 N ATOM 1763 CA ASP A 109 20.935 11.026 -15.803 1.00 0.00 C ATOM 1764 C ASP A 109 21.957 11.525 -14.780 1.00 0.00 C ATOM 1765 O ASP A 109 21.729 11.436 -13.574 1.00 0.00 O ATOM 1766 CB ASP A 109 19.857 12.102 -15.957 1.00 0.00 C ATOM 1767 CG ASP A 109 19.439 12.395 -17.400 1.00 0.00 C ATOM 1768 OD1 ASP A 109 18.779 11.572 -18.052 1.00 0.00 O ATOM 1769 OD2 ASP A 109 19.822 13.539 -17.857 1.00 0.00 O ATOM 0 H ASP A 109 19.454 9.866 -14.880 1.00 0.00 H new ATOM 0 HA ASP A 109 21.404 10.843 -16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 109 18.975 11.795 -15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 109 20.219 13.025 -15.505 1.00 0.00 H new ATOM 1775 N ARG A 110 23.063 12.039 -15.298 1.00 0.00 N ATOM 1776 CA ARG A 110 24.121 12.552 -14.445 1.00 0.00 C ATOM 1777 C ARG A 110 24.547 13.947 -14.908 1.00 0.00 C ATOM 1778 O ARG A 110 24.426 14.278 -16.086 1.00 0.00 O ATOM 1779 CB ARG A 110 25.338 11.625 -14.457 1.00 0.00 C ATOM 1780 CG ARG A 110 25.917 11.499 -15.868 1.00 0.00 C ATOM 1781 CD ARG A 110 26.225 10.039 -16.207 1.00 0.00 C ATOM 1782 NE ARG A 110 27.590 9.927 -16.768 1.00 0.00 N ATOM 1783 CZ ARG A 110 28.716 9.918 -16.023 1.00 0.00 C ATOM 1784 NH1 ARG A 110 28.649 10.015 -14.678 1.00 0.00 N ATOM 1785 NH2 ARG A 110 29.883 9.814 -16.629 1.00 0.00 N ATOM 0 H ARG A 110 23.249 12.111 -16.298 1.00 0.00 H new ATOM 0 HA ARG A 110 23.730 12.606 -13.429 1.00 0.00 H new ATOM 0 HB2 ARG A 110 26.100 12.011 -13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 110 25.053 10.640 -14.088 1.00 0.00 H new ATOM 0 HG2 ARG A 110 25.210 11.903 -16.592 1.00 0.00 H new ATOM 0 HG3 ARG A 110 26.827 12.094 -15.946 1.00 0.00 H new ATOM 0 HD2 ARG A 110 26.139 9.423 -15.312 1.00 0.00 H new ATOM 0 HD3 ARG A 110 25.496 9.662 -16.924 1.00 0.00 H new ATOM 0 HE ARG A 110 27.686 9.852 -17.781 1.00 0.00 H new ATOM 0 HH11 ARG A 110 27.743 10.096 -14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 110 29.505 10.007 -14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 110 29.925 9.742 -17.646 1.00 0.00 H new ATOM 0 HH22 ARG A 110 30.743 9.806 -16.081 1.00 0.00 H new ATOM 1798 N SER A 111 25.037 14.727 -13.955 1.00 0.00 N ATOM 1799 CA SER A 111 25.482 16.079 -14.250 1.00 0.00 C ATOM 1800 C SER A 111 24.294 16.936 -14.692 1.00 0.00 C ATOM 1801 O SER A 111 23.560 16.562 -15.607 1.00 0.00 O ATOM 1802 CB SER A 111 26.566 16.078 -15.330 1.00 0.00 C ATOM 1803 OG SER A 111 26.985 17.398 -15.666 1.00 0.00 O ATOM 0 H SER A 111 25.136 14.449 -12.979 1.00 0.00 H new ATOM 0 HA SER A 111 25.911 16.504 -13.342 1.00 0.00 H new ATOM 0 HB2 SER A 111 27.424 15.503 -14.982 1.00 0.00 H new ATOM 0 HB3 SER A 111 26.188 15.579 -16.223 1.00 0.00 H new ATOM 0 HG SER A 111 27.679 17.355 -16.357 1.00 0.00 H new ATOM 1809 N PRO A 112 24.136 18.099 -14.006 1.00 0.00 N ATOM 1810 CA PRO A 112 23.050 19.012 -14.319 1.00 0.00 C ATOM 1811 C PRO A 112 23.333 19.776 -15.614 1.00 0.00 C ATOM 1812 O PRO A 112 24.281 20.555 -15.687 1.00 0.00 O ATOM 1813 CB PRO A 112 22.940 19.922 -13.107 1.00 0.00 C ATOM 1814 CG PRO A 112 24.259 19.788 -12.363 1.00 0.00 C ATOM 1815 CD PRO A 112 24.985 18.573 -12.917 1.00 0.00 C ATOM 0 HA PRO A 112 22.107 18.497 -14.502 1.00 0.00 H new ATOM 0 HB2 PRO A 112 22.765 20.955 -13.409 1.00 0.00 H new ATOM 0 HB3 PRO A 112 22.103 19.629 -12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 112 24.863 20.686 -12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 112 24.084 19.673 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 112 25.980 18.836 -13.276 1.00 0.00 H new ATOM 0 HD3 PRO A 112 25.114 17.806 -12.153 1.00 0.00 H new ATOM 1823 N GLY A 113 22.491 19.524 -16.607 1.00 0.00 N ATOM 1824 CA GLY A 113 22.638 20.177 -17.897 1.00 0.00 C ATOM 1825 C GLY A 113 21.279 20.607 -18.451 1.00 0.00 C ATOM 1826 O GLY A 113 21.039 21.794 -18.664 1.00 0.00 O ATOM 0 H GLY A 113 21.705 18.877 -16.544 1.00 0.00 H new ATOM 0 HA2 GLY A 113 23.286 21.048 -17.796 1.00 0.00 H new ATOM 0 HA3 GLY A 113 23.123 19.499 -18.599 1.00 0.00 H new ATOM 1830 N ILE A 114 20.425 19.618 -18.671 1.00 0.00 N ATOM 1831 CA ILE A 114 19.096 19.879 -19.195 1.00 0.00 C ATOM 1832 C ILE A 114 19.176 20.985 -20.251 1.00 0.00 C ATOM 1833 O ILE A 114 18.798 22.125 -19.989 1.00 0.00 O ATOM 1834 CB ILE A 114 18.120 20.185 -18.057 1.00 0.00 C ATOM 1835 CG1 ILE A 114 16.717 20.466 -18.597 1.00 0.00 C ATOM 1836 CG2 ILE A 114 18.638 21.331 -17.185 1.00 0.00 C ATOM 1837 CD1 ILE A 114 15.770 19.303 -18.296 1.00 0.00 C ATOM 0 H ILE A 114 20.628 18.634 -18.496 1.00 0.00 H new ATOM 0 HA ILE A 114 18.702 18.992 -19.691 1.00 0.00 H new ATOM 0 HB ILE A 114 18.049 19.302 -17.422 1.00 0.00 H new ATOM 0 HG12 ILE A 114 16.328 21.381 -18.150 1.00 0.00 H new ATOM 0 HG13 ILE A 114 16.764 20.632 -19.673 1.00 0.00 H new ATOM 0 HG21 ILE A 114 17.926 21.529 -16.384 1.00 0.00 H new ATOM 0 HG22 ILE A 114 19.601 21.055 -16.755 1.00 0.00 H new ATOM 0 HG23 ILE A 114 18.757 22.227 -17.794 1.00 0.00 H new ATOM 0 HD11 ILE A 114 14.779 19.529 -18.691 1.00 0.00 H new ATOM 0 HD12 ILE A 114 16.149 18.395 -18.764 1.00 0.00 H new ATOM 0 HD13 ILE A 114 15.706 19.156 -17.218 1.00 0.00 H new ATOM 1849 N HIS A 115 19.672 20.607 -21.419 1.00 0.00 N ATOM 1850 CA HIS A 115 19.809 21.553 -22.514 1.00 0.00 C ATOM 1851 C HIS A 115 18.437 21.817 -23.137 1.00 0.00 C ATOM 1852 O HIS A 115 17.888 20.960 -23.829 1.00 0.00 O ATOM 1853 CB HIS A 115 20.836 21.059 -23.534 1.00 0.00 C ATOM 1854 CG HIS A 115 20.735 21.730 -24.883 1.00 0.00 C ATOM 1855 ND1 HIS A 115 21.588 22.744 -25.281 1.00 0.00 N ATOM 1856 CD2 HIS A 115 19.873 21.522 -25.919 1.00 0.00 C ATOM 1857 CE1 HIS A 115 21.246 23.121 -26.505 1.00 0.00 C ATOM 1858 NE2 HIS A 115 20.183 22.363 -26.897 1.00 0.00 N ATOM 0 H HIS A 115 19.984 19.659 -21.632 1.00 0.00 H new ATOM 0 HA HIS A 115 20.188 22.502 -22.134 1.00 0.00 H new ATOM 0 HB2 HIS A 115 21.837 21.220 -23.134 1.00 0.00 H new ATOM 0 HB3 HIS A 115 20.715 19.984 -23.665 1.00 0.00 H new ATOM 0 HD2 HIS A 115 19.074 20.796 -25.940 1.00 0.00 H new ATOM 0 HE1 HIS A 115 21.725 23.893 -27.089 1.00 0.00 H new ATOM 0 HE2 HIS A 115 19.704 22.431 -27.795 1.00 0.00 H new ATOM 1866 N ARG A 116 17.920 23.008 -22.868 1.00 0.00 N ATOM 1867 CA ARG A 116 16.621 23.396 -23.393 1.00 0.00 C ATOM 1868 C ARG A 116 16.672 23.492 -24.919 1.00 0.00 C ATOM 1869 O ARG A 116 17.722 23.780 -25.491 1.00 0.00 O ATOM 1870 CB ARG A 116 16.176 24.742 -22.818 1.00 0.00 C ATOM 1871 CG ARG A 116 17.163 25.850 -23.187 1.00 0.00 C ATOM 1872 CD ARG A 116 17.487 26.722 -21.973 1.00 0.00 C ATOM 1873 NE ARG A 116 17.883 28.078 -22.415 1.00 0.00 N ATOM 1874 CZ ARG A 116 17.926 29.156 -21.602 1.00 0.00 C ATOM 1875 NH1 ARG A 116 17.598 29.045 -20.298 1.00 0.00 N ATOM 1876 NH2 ARG A 116 18.294 30.321 -22.104 1.00 0.00 N ATOM 0 H ARG A 116 18.377 23.716 -22.294 1.00 0.00 H new ATOM 0 HA ARG A 116 15.902 22.632 -23.098 1.00 0.00 H new ATOM 0 HB2 ARG A 116 15.185 24.993 -23.196 1.00 0.00 H new ATOM 0 HB3 ARG A 116 16.095 24.669 -21.733 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.080 25.410 -23.578 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.742 26.467 -23.981 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.619 26.783 -21.317 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.292 26.269 -21.394 1.00 0.00 H new ATOM 0 HE ARG A 116 18.139 28.206 -23.394 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.315 28.142 -19.919 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.633 29.864 -19.692 1.00 0.00 H new ATOM 0 HH21 ARG A 116 18.540 30.396 -23.091 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.332 31.145 -21.505 1.00 0.00 H new ATOM 1889 N ASP A 117 15.525 23.245 -25.534 1.00 0.00 N ATOM 1890 CA ASP A 117 15.425 23.301 -26.982 1.00 0.00 C ATOM 1891 C ASP A 117 16.199 24.517 -27.496 1.00 0.00 C ATOM 1892 O ASP A 117 16.030 25.625 -26.988 1.00 0.00 O ATOM 1893 CB ASP A 117 13.969 23.445 -27.429 1.00 0.00 C ATOM 1894 CG ASP A 117 13.770 23.639 -28.933 1.00 0.00 C ATOM 1895 OD1 ASP A 117 14.041 24.720 -29.478 1.00 0.00 O ATOM 1896 OD2 ASP A 117 13.310 22.610 -29.561 1.00 0.00 O ATOM 0 H ASP A 117 14.657 23.006 -25.056 1.00 0.00 H new ATOM 0 HA ASP A 117 15.836 22.375 -27.384 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.419 22.557 -27.117 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.527 24.294 -26.907 1.00 0.00 H new TER 1902 ASP A 117