USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=18 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 92 HIS : no HD1:sc= -4.95! K(o=-11!,f=-9.4) USER MOD Set 1.2: A 99 GLN : amide:sc= -6.12! C(o=-11!,f=-12!) USER MOD Set 2.1: A 60 SER OG : rot 170:sc= -1.03! USER MOD Set 2.2: A 61 HIS : no HE2:sc= -10.8! C(o=-12!,f=-19!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.0636) USER MOD Single : A 2 SER OG : rot 32:sc= 0.0633 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -16.5! C(o=-17!,f=-23!) USER MOD Single : A 18 HIS : no HD1:sc= -7.39! C(o=-7.4!,f=-9.3!) USER MOD Single : A 19 GLN : amide:sc= -1.5! K(o=-1.5!,f=0.27) USER MOD Single : A 23 TYR OH : rot 28:sc= -1.11! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0195 K(o=-0.019,f=-1.2!) USER MOD Single : A 30 THR OG1 : rot 103:sc= 1.34 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -50:sc= 0.284 USER MOD Single : A 47 GLN : amide:sc= -4.49! C(o=-4.5!,f=-4!) USER MOD Single : A 48 GLN : amide:sc= -2.23 K(o=-2.2,f=-0.41) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 SER OG : rot -66:sc= 0.696 USER MOD Single : A 66 GLN : amide:sc= -3.67! C(o=-3.7!,f=-3.3!) USER MOD Single : A 70 MET CE :methyl -147:sc= -0.128 (180deg=-1.07) USER MOD Single : A 72 GLN : amide:sc= -0.921 K(o=-0.92,f=-0.025) USER MOD Single : A 74 TYR OH : rot 108:sc= 0.116 USER MOD Single : A 79 TYR OH : rot -150:sc= -3.18! USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.99 X(o=-0.99,f=-0.76) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 59:sc= 0.997 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 91 HIS : no HD1:sc= -15.6! C(o=-16!,f=-11!) USER MOD Single : A 94 MET CE :methyl -116:sc= -6.7! (180deg=-12.4!) USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -0.369 (180deg=-1.1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.674 4.694 -20.445 1.00 0.00 N ATOM 2 CA GLY A 1 -31.481 5.151 -19.326 1.00 0.00 C ATOM 3 C GLY A 1 -30.602 5.740 -18.221 1.00 0.00 C ATOM 4 O GLY A 1 -30.908 6.802 -17.680 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.295 4.441 -21.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.027 5.453 -20.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.122 3.860 -20.158 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.193 5.902 -19.669 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.062 4.319 -18.929 1.00 0.00 H new ATOM 8 N SER A 2 -29.529 5.025 -17.918 1.00 0.00 N ATOM 9 CA SER A 2 -28.605 5.465 -16.887 1.00 0.00 C ATOM 10 C SER A 2 -27.180 5.032 -17.243 1.00 0.00 C ATOM 11 O SER A 2 -26.937 3.861 -17.530 1.00 0.00 O ATOM 12 CB SER A 2 -29.001 4.910 -15.517 1.00 0.00 C ATOM 13 OG SER A 2 -29.086 3.488 -15.522 1.00 0.00 O ATOM 0 H SER A 2 -29.279 4.144 -18.368 1.00 0.00 H new ATOM 0 HA SER A 2 -28.646 6.553 -16.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.271 5.227 -14.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.962 5.330 -15.220 1.00 0.00 H new ATOM 0 HG SER A 2 -28.437 3.124 -16.159 1.00 0.00 H new ATOM 19 N MET A 3 -26.276 6.001 -17.211 1.00 0.00 N ATOM 20 CA MET A 3 -24.883 5.735 -17.528 1.00 0.00 C ATOM 21 C MET A 3 -23.972 6.813 -16.939 1.00 0.00 C ATOM 22 O MET A 3 -24.415 7.930 -16.675 1.00 0.00 O ATOM 23 CB MET A 3 -24.706 5.689 -19.047 1.00 0.00 C ATOM 24 CG MET A 3 -24.046 4.379 -19.482 1.00 0.00 C ATOM 25 SD MET A 3 -24.516 3.986 -21.159 1.00 0.00 S ATOM 26 CE MET A 3 -24.649 2.210 -21.035 1.00 0.00 C ATOM 0 H MET A 3 -26.481 6.971 -16.971 1.00 0.00 H new ATOM 0 HA MET A 3 -24.606 4.775 -17.092 1.00 0.00 H new ATOM 0 HB2 MET A 3 -25.676 5.791 -19.533 1.00 0.00 H new ATOM 0 HB3 MET A 3 -24.097 6.533 -19.372 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.962 4.467 -19.411 1.00 0.00 H new ATOM 0 HG3 MET A 3 -24.345 3.572 -18.813 1.00 0.00 H new ATOM 0 HE1 MET A 3 -24.937 1.798 -22.002 1.00 0.00 H new ATOM 0 HE2 MET A 3 -23.687 1.793 -20.735 1.00 0.00 H new ATOM 0 HE3 MET A 3 -25.404 1.953 -20.292 1.00 0.00 H new ATOM 36 N ALA A 4 -22.714 6.441 -16.751 1.00 0.00 N ATOM 37 CA ALA A 4 -21.735 7.363 -16.200 1.00 0.00 C ATOM 38 C ALA A 4 -20.330 6.895 -16.580 1.00 0.00 C ATOM 39 O ALA A 4 -20.113 5.711 -16.833 1.00 0.00 O ATOM 40 CB ALA A 4 -21.927 7.464 -14.685 1.00 0.00 C ATOM 0 H ALA A 4 -22.350 5.514 -16.970 1.00 0.00 H new ATOM 0 HA ALA A 4 -21.872 8.362 -16.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.193 8.155 -14.271 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.931 7.828 -14.469 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.793 6.480 -14.235 1.00 0.00 H new ATOM 46 N GLY A 5 -19.411 7.850 -16.608 1.00 0.00 N ATOM 47 CA GLY A 5 -18.031 7.550 -16.953 1.00 0.00 C ATOM 48 C GLY A 5 -17.426 6.547 -15.970 1.00 0.00 C ATOM 49 O GLY A 5 -18.151 5.815 -15.298 1.00 0.00 O ATOM 0 H GLY A 5 -19.595 8.831 -16.398 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.985 7.146 -17.964 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.444 8.468 -16.949 1.00 0.00 H new ATOM 53 N GLU A 6 -16.102 6.543 -15.917 1.00 0.00 N ATOM 54 CA GLU A 6 -15.390 5.640 -15.029 1.00 0.00 C ATOM 55 C GLU A 6 -13.887 5.925 -15.075 1.00 0.00 C ATOM 56 O GLU A 6 -13.338 6.214 -16.138 1.00 0.00 O ATOM 57 CB GLU A 6 -15.682 4.180 -15.383 1.00 0.00 C ATOM 58 CG GLU A 6 -15.121 3.236 -14.318 1.00 0.00 C ATOM 59 CD GLU A 6 -16.199 2.851 -13.304 1.00 0.00 C ATOM 60 OE1 GLU A 6 -16.180 3.338 -12.163 1.00 0.00 O ATOM 61 OE2 GLU A 6 -17.080 2.014 -13.735 1.00 0.00 O ATOM 0 H GLU A 6 -15.503 7.151 -16.475 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.741 5.811 -14.011 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.758 4.032 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.244 3.942 -16.352 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.727 2.338 -14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.288 3.716 -13.804 1.00 0.00 H new ATOM 69 N ASP A 7 -13.265 5.836 -13.910 1.00 0.00 N ATOM 70 CA ASP A 7 -11.836 6.080 -13.803 1.00 0.00 C ATOM 71 C ASP A 7 -11.258 5.217 -12.680 1.00 0.00 C ATOM 72 O ASP A 7 -11.968 4.852 -11.745 1.00 0.00 O ATOM 73 CB ASP A 7 -11.552 7.546 -13.468 1.00 0.00 C ATOM 74 CG ASP A 7 -12.488 8.556 -14.135 1.00 0.00 C ATOM 75 OD1 ASP A 7 -13.627 8.760 -13.690 1.00 0.00 O ATOM 76 OD2 ASP A 7 -11.999 9.152 -15.168 1.00 0.00 O ATOM 0 H ASP A 7 -13.724 5.598 -13.031 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.379 5.834 -14.761 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.614 7.675 -12.387 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.527 7.777 -13.758 1.00 0.00 H new ATOM 82 N VAL A 8 -9.973 4.917 -12.808 1.00 0.00 N ATOM 83 CA VAL A 8 -9.291 4.105 -11.815 1.00 0.00 C ATOM 84 C VAL A 8 -9.454 4.750 -10.437 1.00 0.00 C ATOM 85 O VAL A 8 -10.002 5.845 -10.321 1.00 0.00 O ATOM 86 CB VAL A 8 -7.827 3.910 -12.215 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.186 2.777 -11.412 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.698 3.660 -13.718 1.00 0.00 C ATOM 0 H VAL A 8 -9.387 5.222 -13.585 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.735 3.111 -11.763 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.290 4.830 -11.982 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.146 2.659 -11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.229 3.015 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.726 1.848 -11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.648 3.525 -13.976 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.256 2.763 -13.987 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.099 4.514 -14.265 1.00 0.00 H new ATOM 98 N GLY A 9 -8.969 4.041 -9.427 1.00 0.00 N ATOM 99 CA GLY A 9 -9.054 4.530 -8.062 1.00 0.00 C ATOM 100 C GLY A 9 -7.670 4.899 -7.525 1.00 0.00 C ATOM 101 O GLY A 9 -7.444 6.034 -7.108 1.00 0.00 O ATOM 0 H GLY A 9 -8.516 3.132 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.707 5.402 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.503 3.767 -7.426 1.00 0.00 H new ATOM 105 N ALA A 10 -6.779 3.919 -7.550 1.00 0.00 N ATOM 106 CA ALA A 10 -5.423 4.126 -7.072 1.00 0.00 C ATOM 107 C ALA A 10 -4.508 3.050 -7.659 1.00 0.00 C ATOM 108 O ALA A 10 -4.886 1.881 -7.729 1.00 0.00 O ATOM 109 CB ALA A 10 -5.417 4.124 -5.541 1.00 0.00 C ATOM 0 H ALA A 10 -6.970 2.978 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.044 5.094 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.400 4.279 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.058 4.925 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.789 3.166 -5.177 1.00 0.00 H new ATOM 115 N PRO A 11 -3.293 3.494 -8.078 1.00 0.00 N ATOM 116 CA PRO A 11 -2.322 2.582 -8.657 1.00 0.00 C ATOM 117 C PRO A 11 -1.672 1.715 -7.577 1.00 0.00 C ATOM 118 O PRO A 11 -1.907 1.919 -6.388 1.00 0.00 O ATOM 119 CB PRO A 11 -1.328 3.474 -9.382 1.00 0.00 C ATOM 120 CG PRO A 11 -1.512 4.865 -8.795 1.00 0.00 C ATOM 121 CD PRO A 11 -2.814 4.871 -8.011 1.00 0.00 C ATOM 0 HA PRO A 11 -2.773 1.869 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.307 3.120 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.515 3.475 -10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.674 5.119 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.540 5.613 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.654 5.185 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.535 5.563 -8.446 1.00 0.00 H new ATOM 129 N PRO A 12 -0.846 0.740 -8.044 1.00 0.00 N ATOM 130 CA PRO A 12 -0.159 -0.158 -7.131 1.00 0.00 C ATOM 131 C PRO A 12 1.008 0.549 -6.440 1.00 0.00 C ATOM 132 O PRO A 12 2.115 0.596 -6.976 1.00 0.00 O ATOM 133 CB PRO A 12 0.282 -1.331 -7.992 1.00 0.00 C ATOM 134 CG PRO A 12 0.237 -0.834 -9.427 1.00 0.00 C ATOM 135 CD PRO A 12 -0.544 0.468 -9.446 1.00 0.00 C ATOM 0 HA PRO A 12 -0.797 -0.497 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.287 -1.657 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.379 -2.187 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.246 -0.679 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.238 -1.573 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.041 1.274 -9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.455 0.374 -10.036 1.00 0.00 H new ATOM 143 N ASP A 13 0.722 1.080 -5.260 1.00 0.00 N ATOM 144 CA ASP A 13 1.734 1.781 -4.489 1.00 0.00 C ATOM 145 C ASP A 13 3.042 0.987 -4.532 1.00 0.00 C ATOM 146 O ASP A 13 4.124 1.561 -4.417 1.00 0.00 O ATOM 147 CB ASP A 13 1.313 1.922 -3.026 1.00 0.00 C ATOM 148 CG ASP A 13 2.363 2.553 -2.108 1.00 0.00 C ATOM 149 OD1 ASP A 13 3.161 1.849 -1.472 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.341 3.842 -2.062 1.00 0.00 O ATOM 0 H ASP A 13 -0.197 1.039 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 13 1.862 2.773 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.405 2.523 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.061 0.935 -2.639 1.00 0.00 H new ATOM 156 N HIS A 14 2.899 -0.319 -4.696 1.00 0.00 N ATOM 157 CA HIS A 14 4.055 -1.198 -4.754 1.00 0.00 C ATOM 158 C HIS A 14 3.718 -2.433 -5.592 1.00 0.00 C ATOM 159 O HIS A 14 2.567 -2.861 -5.639 1.00 0.00 O ATOM 160 CB HIS A 14 4.541 -1.549 -3.347 1.00 0.00 C ATOM 161 CG HIS A 14 3.921 -2.803 -2.778 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.360 -2.855 -1.515 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.780 -4.049 -3.313 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.904 -4.081 -1.309 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.167 -4.821 -2.425 1.00 0.00 N ATOM 0 H HIS A 14 2.000 -0.791 -4.791 1.00 0.00 H new ATOM 0 HA HIS A 14 4.883 -0.685 -5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.624 -1.668 -3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.325 -0.714 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.111 -4.356 -4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.411 -4.433 -0.415 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.931 -5.805 -2.555 1.00 0.00 H new ATOM 173 N LEU A 15 4.746 -2.972 -6.232 1.00 0.00 N ATOM 174 CA LEU A 15 4.575 -4.150 -7.065 1.00 0.00 C ATOM 175 C LEU A 15 5.641 -5.185 -6.703 1.00 0.00 C ATOM 176 O LEU A 15 6.765 -4.827 -6.352 1.00 0.00 O ATOM 177 CB LEU A 15 4.570 -3.764 -8.546 1.00 0.00 C ATOM 178 CG LEU A 15 3.325 -3.025 -9.043 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.582 -2.370 -10.402 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.111 -3.957 -9.075 1.00 0.00 C ATOM 0 H LEU A 15 5.700 -2.614 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 15 3.606 -4.611 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.441 -3.139 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.690 -4.671 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 15 3.098 -2.225 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.682 -1.852 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.400 -1.655 -10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.848 -3.136 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.240 -3.408 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.312 -4.793 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.916 -4.335 -8.071 1.00 0.00 H new ATOM 192 N TRP A 16 5.253 -6.447 -6.801 1.00 0.00 N ATOM 193 CA TRP A 16 6.161 -7.537 -6.488 1.00 0.00 C ATOM 194 C TRP A 16 6.109 -8.542 -7.641 1.00 0.00 C ATOM 195 O TRP A 16 5.101 -9.219 -7.834 1.00 0.00 O ATOM 196 CB TRP A 16 5.822 -8.162 -5.133 1.00 0.00 C ATOM 197 CG TRP A 16 6.127 -7.260 -3.937 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.209 -6.496 -3.733 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.289 -7.055 -2.779 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.131 -5.817 -2.535 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.926 -6.168 -1.936 1.00 0.00 C ATOM 202 CE3 TRP A 16 4.035 -7.601 -2.456 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.386 -5.748 -0.714 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.508 -7.172 -1.232 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.137 -6.280 -0.371 1.00 0.00 C ATOM 0 H TRP A 16 4.321 -6.740 -7.093 1.00 0.00 H new ATOM 0 HA TRP A 16 7.183 -7.171 -6.391 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.763 -8.421 -5.119 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.379 -9.093 -5.024 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.038 -6.421 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.829 -5.176 -2.158 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.519 -8.297 -3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.905 -5.052 -0.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.545 -7.561 -0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.664 -5.999 0.558 1.00 0.00 H new ATOM 216 N VAL A 17 7.209 -8.607 -8.376 1.00 0.00 N ATOM 217 CA VAL A 17 7.302 -9.517 -9.505 1.00 0.00 C ATOM 218 C VAL A 17 7.365 -10.957 -8.990 1.00 0.00 C ATOM 219 O VAL A 17 8.298 -11.324 -8.277 1.00 0.00 O ATOM 220 CB VAL A 17 8.498 -9.143 -10.383 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.817 -9.394 -9.649 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.459 -9.897 -11.714 1.00 0.00 C ATOM 0 H VAL A 17 8.044 -8.044 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 17 6.416 -9.435 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 17 8.433 -8.077 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.651 -9.120 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.848 -8.792 -8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.893 -10.449 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.320 -9.613 -12.319 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.487 -10.970 -11.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.542 -9.646 -12.248 1.00 0.00 H new ATOM 232 N HIS A 18 6.362 -11.733 -9.372 1.00 0.00 N ATOM 233 CA HIS A 18 6.292 -13.124 -8.958 1.00 0.00 C ATOM 234 C HIS A 18 6.450 -14.032 -10.180 1.00 0.00 C ATOM 235 O HIS A 18 7.008 -15.124 -10.079 1.00 0.00 O ATOM 236 CB HIS A 18 5.004 -13.396 -8.181 1.00 0.00 C ATOM 237 CG HIS A 18 4.708 -14.863 -7.975 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.393 -15.398 -6.738 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.681 -15.899 -8.862 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.189 -16.699 -6.885 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.368 -17.007 -8.202 1.00 0.00 N ATOM 0 H HIS A 18 5.591 -11.425 -9.964 1.00 0.00 H new ATOM 0 HA HIS A 18 7.113 -13.345 -8.275 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.069 -12.909 -7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.169 -12.938 -8.711 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.880 -15.829 -9.921 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.927 -17.393 -6.100 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.276 -17.936 -8.612 1.00 0.00 H new ATOM 249 N GLN A 19 5.950 -13.546 -11.306 1.00 0.00 N ATOM 250 CA GLN A 19 6.029 -14.299 -12.547 1.00 0.00 C ATOM 251 C GLN A 19 6.591 -13.421 -13.666 1.00 0.00 C ATOM 252 O GLN A 19 6.596 -12.196 -13.556 1.00 0.00 O ATOM 253 CB GLN A 19 4.662 -14.868 -12.930 1.00 0.00 C ATOM 254 CG GLN A 19 4.460 -16.263 -12.334 1.00 0.00 C ATOM 255 CD GLN A 19 4.114 -17.280 -13.423 1.00 0.00 C ATOM 256 OE1 GLN A 19 4.969 -17.959 -13.969 1.00 0.00 O ATOM 257 NE2 GLN A 19 2.817 -17.348 -13.707 1.00 0.00 N ATOM 0 H GLN A 19 5.488 -12.640 -11.386 1.00 0.00 H new ATOM 0 HA GLN A 19 6.707 -15.139 -12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.875 -14.201 -12.578 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.576 -14.917 -14.016 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.366 -16.575 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.662 -16.233 -11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.155 -16.751 -13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.484 -17.997 -14.420 1.00 0.00 H new ATOM 266 N GLU A 20 7.051 -14.082 -14.719 1.00 0.00 N ATOM 267 CA GLU A 20 7.613 -13.377 -15.857 1.00 0.00 C ATOM 268 C GLU A 20 6.609 -12.356 -16.398 1.00 0.00 C ATOM 269 O GLU A 20 5.569 -12.730 -16.939 1.00 0.00 O ATOM 270 CB GLU A 20 8.043 -14.356 -16.951 1.00 0.00 C ATOM 271 CG GLU A 20 8.306 -13.625 -18.269 1.00 0.00 C ATOM 272 CD GLU A 20 8.587 -14.617 -19.400 1.00 0.00 C ATOM 273 OE1 GLU A 20 9.432 -15.510 -19.246 1.00 0.00 O ATOM 274 OE2 GLU A 20 7.888 -14.437 -20.470 1.00 0.00 O ATOM 0 H GLU A 20 7.046 -15.098 -14.807 1.00 0.00 H new ATOM 0 HA GLU A 20 8.502 -12.842 -15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.944 -14.884 -16.638 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.267 -15.108 -17.097 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.444 -13.010 -18.526 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.155 -12.951 -18.152 1.00 0.00 H new ATOM 282 N GLY A 21 6.956 -11.088 -16.234 1.00 0.00 N ATOM 283 CA GLY A 21 6.097 -10.012 -16.699 1.00 0.00 C ATOM 284 C GLY A 21 4.836 -9.906 -15.839 1.00 0.00 C ATOM 285 O GLY A 21 3.821 -9.368 -16.282 1.00 0.00 O ATOM 0 H GLY A 21 7.820 -10.782 -15.786 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.642 -9.068 -16.670 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.819 -10.187 -17.738 1.00 0.00 H new ATOM 289 N ILE A 22 4.940 -10.428 -14.626 1.00 0.00 N ATOM 290 CA ILE A 22 3.819 -10.401 -13.700 1.00 0.00 C ATOM 291 C ILE A 22 4.258 -9.736 -12.395 1.00 0.00 C ATOM 292 O ILE A 22 5.400 -9.894 -11.966 1.00 0.00 O ATOM 293 CB ILE A 22 3.246 -11.807 -13.512 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.252 -12.147 -14.625 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.627 -11.966 -12.122 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.960 -12.802 -15.811 1.00 0.00 C ATOM 0 H ILE A 22 5.783 -10.872 -14.262 1.00 0.00 H new ATOM 0 HA ILE A 22 3.004 -9.801 -14.105 1.00 0.00 H new ATOM 0 HB ILE A 22 4.066 -12.522 -13.583 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.484 -12.818 -14.239 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.746 -11.240 -14.955 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.227 -12.974 -12.015 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.390 -11.795 -11.362 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.822 -11.242 -11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.231 -13.033 -16.587 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.710 -12.119 -16.209 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.445 -13.722 -15.483 1.00 0.00 H new ATOM 308 N TYR A 23 3.328 -9.006 -11.798 1.00 0.00 N ATOM 309 CA TYR A 23 3.604 -8.317 -10.549 1.00 0.00 C ATOM 310 C TYR A 23 2.408 -8.406 -9.598 1.00 0.00 C ATOM 311 O TYR A 23 1.268 -8.530 -10.039 1.00 0.00 O ATOM 312 CB TYR A 23 3.837 -6.851 -10.919 1.00 0.00 C ATOM 313 CG TYR A 23 5.294 -6.516 -11.244 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.182 -6.239 -10.225 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.720 -6.491 -12.556 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.554 -5.924 -10.530 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.091 -6.175 -12.861 1.00 0.00 C ATOM 318 CZ TYR A 23 7.941 -5.907 -11.834 1.00 0.00 C ATOM 319 OH TYR A 23 9.236 -5.609 -12.122 1.00 0.00 O ATOM 0 H TYR A 23 2.382 -8.876 -12.156 1.00 0.00 H new ATOM 0 HA TYR A 23 4.462 -8.763 -10.046 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.217 -6.601 -11.780 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.505 -6.221 -10.093 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.848 -6.258 -9.198 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.025 -6.708 -13.354 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.259 -5.706 -9.742 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.437 -6.151 -13.884 1.00 0.00 H new ATOM 0 HH TYR A 23 9.807 -5.872 -11.370 1.00 0.00 H new ATOM 329 N ARG A 24 2.712 -8.340 -8.309 1.00 0.00 N ATOM 330 CA ARG A 24 1.677 -8.410 -7.292 1.00 0.00 C ATOM 331 C ARG A 24 1.485 -7.041 -6.635 1.00 0.00 C ATOM 332 O ARG A 24 2.456 -6.386 -6.263 1.00 0.00 O ATOM 333 CB ARG A 24 2.031 -9.439 -6.217 1.00 0.00 C ATOM 334 CG ARG A 24 0.829 -10.329 -5.893 1.00 0.00 C ATOM 335 CD ARG A 24 1.269 -11.772 -5.638 1.00 0.00 C ATOM 336 NE ARG A 24 2.128 -11.835 -4.435 1.00 0.00 N ATOM 337 CZ ARG A 24 2.470 -12.981 -3.808 1.00 0.00 C ATOM 338 NH1 ARG A 24 2.027 -14.171 -4.266 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.245 -12.920 -2.741 1.00 0.00 N ATOM 0 H ARG A 24 3.660 -8.239 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 24 0.752 -8.715 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.863 -10.055 -6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.363 -8.927 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.312 -9.942 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.119 -10.302 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.395 -12.409 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.812 -12.153 -6.503 1.00 0.00 H new ATOM 0 HE ARG A 24 2.484 -10.958 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.429 -14.209 -5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.290 -15.032 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.576 -12.017 -2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.513 -13.776 -2.256 1.00 0.00 H new ATOM 352 N ASP A 25 0.224 -6.653 -6.513 1.00 0.00 N ATOM 353 CA ASP A 25 -0.108 -5.374 -5.907 1.00 0.00 C ATOM 354 C ASP A 25 -0.098 -5.518 -4.384 1.00 0.00 C ATOM 355 O ASP A 25 0.206 -6.588 -3.860 1.00 0.00 O ATOM 356 CB ASP A 25 -1.504 -4.911 -6.329 1.00 0.00 C ATOM 357 CG ASP A 25 -1.726 -3.399 -6.279 1.00 0.00 C ATOM 358 OD1 ASP A 25 -0.979 -2.665 -5.616 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.731 -2.971 -6.967 1.00 0.00 O ATOM 0 H ASP A 25 -0.579 -7.200 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 25 0.630 -4.643 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.694 -5.257 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.240 -5.393 -5.685 1.00 0.00 H new ATOM 365 N GLU A 26 -0.433 -4.423 -3.716 1.00 0.00 N ATOM 366 CA GLU A 26 -0.465 -4.414 -2.263 1.00 0.00 C ATOM 367 C GLU A 26 -1.892 -4.652 -1.763 1.00 0.00 C ATOM 368 O GLU A 26 -2.212 -4.336 -0.619 1.00 0.00 O ATOM 369 CB GLU A 26 0.097 -3.104 -1.711 1.00 0.00 C ATOM 370 CG GLU A 26 -0.962 -1.998 -1.734 1.00 0.00 C ATOM 371 CD GLU A 26 -0.338 -0.636 -1.428 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.724 -0.568 -0.792 1.00 0.00 O ATOM 373 OE2 GLU A 26 -0.998 0.378 -1.876 1.00 0.00 O ATOM 0 H GLU A 26 -0.684 -3.537 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 26 0.167 -5.224 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.447 -3.256 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.961 -2.798 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.443 -1.970 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.739 -2.219 -1.002 1.00 0.00 H new ATOM 381 N TYR A 27 -2.710 -5.208 -2.645 1.00 0.00 N ATOM 382 CA TYR A 27 -4.093 -5.494 -2.307 1.00 0.00 C ATOM 383 C TYR A 27 -4.560 -6.796 -2.962 1.00 0.00 C ATOM 384 O TYR A 27 -5.744 -6.961 -3.249 1.00 0.00 O ATOM 385 CB TYR A 27 -4.913 -4.332 -2.869 1.00 0.00 C ATOM 386 CG TYR A 27 -5.086 -3.164 -1.896 1.00 0.00 C ATOM 387 CD1 TYR A 27 -6.053 -3.221 -0.913 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.274 -2.053 -2.001 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.216 -2.122 0.003 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.436 -0.953 -1.085 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.399 -1.043 -0.128 1.00 0.00 C ATOM 392 OH TYR A 27 -5.552 -0.004 0.737 1.00 0.00 O ATOM 0 H TYR A 27 -2.441 -5.468 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.209 -5.605 -1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.432 -3.967 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.898 -4.701 -3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.688 -4.091 -0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.517 -2.008 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.970 -2.154 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.808 -0.077 -1.156 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.900 0.696 0.525 1.00 0.00 H new ATOM 402 N GLN A 28 -3.605 -7.687 -3.178 1.00 0.00 N ATOM 403 CA GLN A 28 -3.903 -8.969 -3.793 1.00 0.00 C ATOM 404 C GLN A 28 -4.375 -8.769 -5.235 1.00 0.00 C ATOM 405 O GLN A 28 -5.379 -9.349 -5.649 1.00 0.00 O ATOM 406 CB GLN A 28 -4.942 -9.741 -2.977 1.00 0.00 C ATOM 407 CG GLN A 28 -4.286 -10.471 -1.804 1.00 0.00 C ATOM 408 CD GLN A 28 -5.260 -11.462 -1.162 1.00 0.00 C ATOM 409 OE1 GLN A 28 -6.169 -11.976 -1.791 1.00 0.00 O ATOM 410 NE2 GLN A 28 -5.018 -11.700 0.124 1.00 0.00 N ATOM 0 H GLN A 28 -2.624 -7.547 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.989 -9.563 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.700 -9.053 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.452 -10.460 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.399 -11.000 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.955 -9.747 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.239 -11.235 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.611 -12.347 0.643 1.00 0.00 H new ATOM 419 N ARG A 29 -3.631 -7.947 -5.959 1.00 0.00 N ATOM 420 CA ARG A 29 -3.962 -7.662 -7.344 1.00 0.00 C ATOM 421 C ARG A 29 -2.761 -7.950 -8.248 1.00 0.00 C ATOM 422 O ARG A 29 -1.727 -7.294 -8.138 1.00 0.00 O ATOM 423 CB ARG A 29 -4.386 -6.202 -7.520 1.00 0.00 C ATOM 424 CG ARG A 29 -5.885 -6.032 -7.270 1.00 0.00 C ATOM 425 CD ARG A 29 -6.295 -4.562 -7.371 1.00 0.00 C ATOM 426 NE ARG A 29 -7.640 -4.370 -6.783 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.103 -3.188 -6.321 1.00 0.00 C ATOM 428 NH1 ARG A 29 -7.330 -2.082 -6.375 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.321 -3.131 -5.816 1.00 0.00 N ATOM 0 H ARG A 29 -2.799 -7.469 -5.612 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.795 -8.307 -7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.825 -5.571 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.142 -5.868 -8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.447 -6.621 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.138 -6.417 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.569 -3.937 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.297 -4.247 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.256 -5.181 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.390 -2.136 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.686 -1.193 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.898 -3.972 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.686 -2.246 -5.463 1.00 0.00 H new ATOM 442 N THR A 30 -2.940 -8.931 -9.120 1.00 0.00 N ATOM 443 CA THR A 30 -1.883 -9.314 -10.041 1.00 0.00 C ATOM 444 C THR A 30 -1.772 -8.296 -11.178 1.00 0.00 C ATOM 445 O THR A 30 -2.773 -7.716 -11.597 1.00 0.00 O ATOM 446 CB THR A 30 -2.170 -10.737 -10.524 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.568 -10.733 -10.804 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.015 -11.777 -9.412 1.00 0.00 C ATOM 0 H THR A 30 -3.800 -9.472 -9.208 1.00 0.00 H new ATOM 0 HA THR A 30 -0.910 -9.312 -9.550 1.00 0.00 H new ATOM 0 HB THR A 30 -1.498 -10.983 -11.346 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.708 -10.669 -11.772 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.230 -12.769 -9.809 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.994 -11.752 -9.030 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.710 -11.551 -8.603 1.00 0.00 H new ATOM 456 N TRP A 31 -0.546 -8.112 -11.646 1.00 0.00 N ATOM 457 CA TRP A 31 -0.292 -7.175 -12.728 1.00 0.00 C ATOM 458 C TRP A 31 0.513 -7.904 -13.806 1.00 0.00 C ATOM 459 O TRP A 31 1.178 -8.899 -13.521 1.00 0.00 O ATOM 460 CB TRP A 31 0.407 -5.917 -12.210 1.00 0.00 C ATOM 461 CG TRP A 31 -0.497 -4.996 -11.388 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.905 -5.156 -10.122 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.092 -3.758 -11.830 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.717 -4.116 -9.718 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.834 -3.238 -10.789 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.006 -3.099 -13.069 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.547 -2.037 -10.881 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.725 -1.899 -13.144 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.477 -1.363 -12.105 1.00 0.00 C ATOM 0 H TRP A 31 0.282 -8.595 -11.296 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.228 -6.829 -13.166 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.259 -6.213 -11.598 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.803 -5.358 -13.058 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.633 -5.993 -9.497 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.152 -4.011 -8.801 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.431 -3.487 -13.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.121 -1.651 -10.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.693 -1.352 -14.075 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.005 -0.431 -12.242 1.00 0.00 H new ATOM 480 N VAL A 32 0.424 -7.382 -15.020 1.00 0.00 N ATOM 481 CA VAL A 32 1.135 -7.972 -16.142 1.00 0.00 C ATOM 482 C VAL A 32 2.036 -6.914 -16.780 1.00 0.00 C ATOM 483 O VAL A 32 1.582 -6.118 -17.602 1.00 0.00 O ATOM 484 CB VAL A 32 0.139 -8.583 -17.129 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.672 -8.508 -18.562 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.199 -10.025 -16.744 1.00 0.00 C ATOM 0 H VAL A 32 -0.129 -6.557 -15.252 1.00 0.00 H new ATOM 0 HA VAL A 32 1.777 -8.785 -15.804 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.781 -8.000 -17.083 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.055 -8.949 -19.244 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.839 -7.466 -18.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.612 -9.056 -18.630 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.909 -10.436 -17.462 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.711 -10.626 -16.749 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.640 -10.042 -15.747 1.00 0.00 H new ATOM 496 N ALA A 33 3.299 -6.938 -16.380 1.00 0.00 N ATOM 497 CA ALA A 33 4.270 -5.991 -16.902 1.00 0.00 C ATOM 498 C ALA A 33 4.799 -6.499 -18.245 1.00 0.00 C ATOM 499 O ALA A 33 5.675 -7.362 -18.284 1.00 0.00 O ATOM 500 CB ALA A 33 5.386 -5.784 -15.877 1.00 0.00 C ATOM 0 H ALA A 33 3.673 -7.599 -15.699 1.00 0.00 H new ATOM 0 HA ALA A 33 3.804 -5.021 -17.076 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.114 -5.074 -16.270 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.962 -5.395 -14.951 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.879 -6.736 -15.679 1.00 0.00 H new ATOM 506 N VAL A 34 4.245 -5.943 -19.312 1.00 0.00 N ATOM 507 CA VAL A 34 4.649 -6.328 -20.653 1.00 0.00 C ATOM 508 C VAL A 34 5.862 -5.497 -21.075 1.00 0.00 C ATOM 509 O VAL A 34 5.721 -4.505 -21.788 1.00 0.00 O ATOM 510 CB VAL A 34 3.468 -6.194 -21.616 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.920 -6.377 -23.066 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.355 -7.181 -21.259 1.00 0.00 C ATOM 0 H VAL A 34 3.519 -5.228 -19.275 1.00 0.00 H new ATOM 0 HA VAL A 34 4.950 -7.375 -20.674 1.00 0.00 H new ATOM 0 HB VAL A 34 3.066 -5.186 -21.516 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.061 -6.277 -23.730 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.661 -5.618 -23.315 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.360 -7.367 -23.188 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.527 -7.065 -21.959 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.739 -8.199 -21.317 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.004 -6.983 -20.246 1.00 0.00 H new ATOM 522 N VAL A 35 7.027 -5.931 -20.614 1.00 0.00 N ATOM 523 CA VAL A 35 8.263 -5.238 -20.935 1.00 0.00 C ATOM 524 C VAL A 35 8.303 -4.943 -22.435 1.00 0.00 C ATOM 525 O VAL A 35 8.602 -5.827 -23.237 1.00 0.00 O ATOM 526 CB VAL A 35 9.462 -6.058 -20.454 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.414 -7.481 -21.016 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.779 -5.369 -20.817 1.00 0.00 C ATOM 0 H VAL A 35 7.140 -6.753 -20.021 1.00 0.00 H new ATOM 0 HA VAL A 35 8.311 -4.281 -20.415 1.00 0.00 H new ATOM 0 HB VAL A 35 9.408 -6.125 -19.367 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.277 -8.043 -20.659 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.499 -7.972 -20.685 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.431 -7.443 -22.105 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.615 -5.973 -20.464 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.845 -5.256 -21.899 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.817 -4.386 -20.347 1.00 0.00 H new ATOM 538 N GLU A 36 7.999 -3.698 -22.770 1.00 0.00 N ATOM 539 CA GLU A 36 7.997 -3.276 -24.160 1.00 0.00 C ATOM 540 C GLU A 36 9.192 -2.362 -24.438 1.00 0.00 C ATOM 541 O GLU A 36 9.124 -1.156 -24.202 1.00 0.00 O ATOM 542 CB GLU A 36 6.682 -2.583 -24.521 1.00 0.00 C ATOM 543 CG GLU A 36 6.593 -2.325 -26.026 1.00 0.00 C ATOM 544 CD GLU A 36 5.628 -3.307 -26.696 1.00 0.00 C ATOM 545 OE1 GLU A 36 4.603 -3.671 -26.101 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.975 -3.691 -27.877 1.00 0.00 O ATOM 0 H GLU A 36 7.752 -2.967 -22.102 1.00 0.00 H new ATOM 0 HA GLU A 36 8.087 -4.162 -24.789 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.842 -3.201 -24.204 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.604 -1.639 -23.981 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.259 -1.303 -26.204 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.582 -2.419 -26.474 1.00 0.00 H new ATOM 554 N GLU A 37 10.258 -2.970 -24.937 1.00 0.00 N ATOM 555 CA GLU A 37 11.466 -2.226 -25.250 1.00 0.00 C ATOM 556 C GLU A 37 11.157 -1.107 -26.247 1.00 0.00 C ATOM 557 O GLU A 37 10.981 -1.362 -27.437 1.00 0.00 O ATOM 558 CB GLU A 37 12.558 -3.152 -25.787 1.00 0.00 C ATOM 559 CG GLU A 37 13.287 -3.861 -24.644 1.00 0.00 C ATOM 560 CD GLU A 37 13.409 -5.362 -24.918 1.00 0.00 C ATOM 561 OE1 GLU A 37 14.366 -5.796 -25.576 1.00 0.00 O ATOM 562 OE2 GLU A 37 12.465 -6.085 -24.418 1.00 0.00 O ATOM 0 H GLU A 37 10.310 -3.970 -25.132 1.00 0.00 H new ATOM 0 HA GLU A 37 11.839 -1.775 -24.331 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.117 -3.891 -26.455 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.271 -2.576 -26.376 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.280 -3.429 -24.518 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.749 -3.701 -23.710 1.00 0.00 H new ATOM 570 N GLU A 38 11.101 0.110 -25.724 1.00 0.00 N ATOM 571 CA GLU A 38 10.817 1.268 -26.554 1.00 0.00 C ATOM 572 C GLU A 38 11.909 1.445 -27.612 1.00 0.00 C ATOM 573 O GLU A 38 13.001 0.893 -27.480 1.00 0.00 O ATOM 574 CB GLU A 38 10.670 2.530 -25.702 1.00 0.00 C ATOM 575 CG GLU A 38 9.197 2.834 -25.423 1.00 0.00 C ATOM 576 CD GLU A 38 8.704 3.996 -26.288 1.00 0.00 C ATOM 577 OE1 GLU A 38 9.085 4.099 -27.464 1.00 0.00 O ATOM 578 OE2 GLU A 38 7.896 4.810 -25.698 1.00 0.00 O ATOM 0 H GLU A 38 11.247 0.318 -24.736 1.00 0.00 H new ATOM 0 HA GLU A 38 9.868 1.101 -27.064 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.203 2.401 -24.760 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.129 3.375 -26.215 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.595 1.947 -25.621 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.066 3.079 -24.369 1.00 0.00 H new ATOM 586 N THR A 39 11.577 2.216 -28.636 1.00 0.00 N ATOM 587 CA THR A 39 12.516 2.472 -29.715 1.00 0.00 C ATOM 588 C THR A 39 13.882 2.871 -29.151 1.00 0.00 C ATOM 589 O THR A 39 14.915 2.582 -29.753 1.00 0.00 O ATOM 590 CB THR A 39 11.905 3.534 -30.632 1.00 0.00 C ATOM 591 OG1 THR A 39 10.798 2.872 -31.239 1.00 0.00 O ATOM 592 CG2 THR A 39 12.817 3.888 -31.808 1.00 0.00 C ATOM 0 H THR A 39 10.671 2.672 -28.742 1.00 0.00 H new ATOM 0 HA THR A 39 12.693 1.573 -30.306 1.00 0.00 H new ATOM 0 HB THR A 39 11.693 4.434 -30.054 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.342 3.489 -31.849 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.336 4.645 -32.427 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.763 4.275 -31.431 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.003 2.996 -32.406 1.00 0.00 H new ATOM 600 N SER A 40 13.842 3.528 -28.001 1.00 0.00 N ATOM 601 CA SER A 40 15.064 3.969 -27.348 1.00 0.00 C ATOM 602 C SER A 40 14.810 4.183 -25.855 1.00 0.00 C ATOM 603 O SER A 40 15.317 5.137 -25.267 1.00 0.00 O ATOM 604 CB SER A 40 15.597 5.252 -27.986 1.00 0.00 C ATOM 605 OG SER A 40 16.911 5.567 -27.533 1.00 0.00 O ATOM 0 H SER A 40 12.983 3.766 -27.505 1.00 0.00 H new ATOM 0 HA SER A 40 15.819 3.193 -27.474 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.604 5.142 -29.070 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.925 6.079 -27.754 1.00 0.00 H new ATOM 0 HG SER A 40 16.934 5.541 -26.554 1.00 0.00 H new ATOM 611 N PHE A 41 14.027 3.279 -25.284 1.00 0.00 N ATOM 612 CA PHE A 41 13.700 3.358 -23.871 1.00 0.00 C ATOM 613 C PHE A 41 13.241 2.000 -23.337 1.00 0.00 C ATOM 614 O PHE A 41 13.227 1.013 -24.072 1.00 0.00 O ATOM 615 CB PHE A 41 12.553 4.361 -23.731 1.00 0.00 C ATOM 616 CG PHE A 41 13.011 5.815 -23.595 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.026 6.132 -22.747 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.403 6.790 -24.323 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.451 7.481 -22.621 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.827 8.140 -24.196 1.00 0.00 C ATOM 621 CZ PHE A 41 13.843 8.456 -23.348 1.00 0.00 C ATOM 0 H PHE A 41 13.610 2.488 -25.775 1.00 0.00 H new ATOM 0 HA PHE A 41 14.579 3.664 -23.304 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.901 4.276 -24.601 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.956 4.096 -22.858 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.509 5.358 -22.169 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.598 6.538 -24.997 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.257 7.733 -21.948 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.343 8.915 -24.772 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.167 9.482 -23.252 1.00 0.00 H new ATOM 631 N LEU A 42 12.878 1.992 -22.063 1.00 0.00 N ATOM 632 CA LEU A 42 12.420 0.771 -21.423 1.00 0.00 C ATOM 633 C LEU A 42 11.030 1.003 -20.826 1.00 0.00 C ATOM 634 O LEU A 42 10.900 1.618 -19.769 1.00 0.00 O ATOM 635 CB LEU A 42 13.451 0.279 -20.407 1.00 0.00 C ATOM 636 CG LEU A 42 14.774 -0.229 -20.985 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.541 -1.417 -21.921 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.542 0.901 -21.671 1.00 0.00 C ATOM 0 H LEU A 42 12.892 2.812 -21.457 1.00 0.00 H new ATOM 0 HA LEU A 42 12.323 -0.030 -22.156 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.668 1.094 -19.716 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.001 -0.523 -19.822 1.00 0.00 H new ATOM 0 HG LEU A 42 15.394 -0.584 -20.162 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.496 -1.760 -22.319 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.066 -2.228 -21.369 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.894 -1.111 -22.743 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.478 0.513 -22.073 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.940 1.309 -22.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.756 1.687 -20.947 1.00 0.00 H new ATOM 650 N ARG A 43 10.026 0.500 -21.530 1.00 0.00 N ATOM 651 CA ARG A 43 8.652 0.645 -21.082 1.00 0.00 C ATOM 652 C ARG A 43 8.104 -0.702 -20.605 1.00 0.00 C ATOM 653 O ARG A 43 8.189 -1.699 -21.321 1.00 0.00 O ATOM 654 CB ARG A 43 7.761 1.181 -22.203 1.00 0.00 C ATOM 655 CG ARG A 43 6.280 1.027 -21.849 1.00 0.00 C ATOM 656 CD ARG A 43 5.431 2.071 -22.577 1.00 0.00 C ATOM 657 NE ARG A 43 4.586 1.413 -23.598 1.00 0.00 N ATOM 658 CZ ARG A 43 5.026 1.037 -24.817 1.00 0.00 C ATOM 659 NH1 ARG A 43 6.309 1.250 -25.178 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.183 0.456 -25.650 1.00 0.00 N ATOM 0 H ARG A 43 10.137 -0.008 -22.407 1.00 0.00 H new ATOM 0 HA ARG A 43 8.646 1.357 -20.257 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.988 2.232 -22.382 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.975 0.647 -23.129 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.941 0.026 -22.116 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.147 1.131 -20.772 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.804 2.604 -21.863 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.076 2.812 -23.049 1.00 0.00 H new ATOM 0 HE ARG A 43 3.609 1.232 -23.366 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.954 1.698 -24.527 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.633 0.963 -26.101 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.216 0.298 -25.368 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.499 0.166 -26.575 1.00 0.00 H new ATOM 673 N ALA A 44 7.554 -0.689 -19.400 1.00 0.00 N ATOM 674 CA ALA A 44 6.993 -1.896 -18.819 1.00 0.00 C ATOM 675 C ALA A 44 5.493 -1.697 -18.591 1.00 0.00 C ATOM 676 O ALA A 44 5.079 -1.242 -17.526 1.00 0.00 O ATOM 677 CB ALA A 44 7.739 -2.239 -17.529 1.00 0.00 C ATOM 0 H ALA A 44 7.485 0.140 -18.809 1.00 0.00 H new ATOM 0 HA ALA A 44 7.115 -2.740 -19.498 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.317 -3.145 -17.094 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.794 -2.401 -17.751 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.639 -1.416 -16.821 1.00 0.00 H new ATOM 683 N ARG A 45 4.720 -2.047 -19.608 1.00 0.00 N ATOM 684 CA ARG A 45 3.275 -1.913 -19.532 1.00 0.00 C ATOM 685 C ARG A 45 2.706 -2.880 -18.492 1.00 0.00 C ATOM 686 O ARG A 45 2.652 -4.087 -18.725 1.00 0.00 O ATOM 687 CB ARG A 45 2.623 -2.191 -20.887 1.00 0.00 C ATOM 688 CG ARG A 45 1.147 -1.790 -20.878 1.00 0.00 C ATOM 689 CD ARG A 45 0.259 -2.957 -21.318 1.00 0.00 C ATOM 690 NE ARG A 45 0.819 -3.588 -22.533 1.00 0.00 N ATOM 691 CZ ARG A 45 0.148 -4.468 -23.307 1.00 0.00 C ATOM 692 NH1 ARG A 45 -1.116 -4.828 -22.997 1.00 0.00 N ATOM 693 NH2 ARG A 45 0.745 -4.972 -24.370 1.00 0.00 N ATOM 0 H ARG A 45 5.067 -2.424 -20.490 1.00 0.00 H new ATOM 0 HA ARG A 45 3.053 -0.887 -19.239 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.148 -1.640 -21.667 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.714 -3.250 -21.128 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.860 -1.467 -19.877 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.993 -0.940 -21.543 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.187 -3.692 -20.517 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.752 -2.601 -21.516 1.00 0.00 H new ATOM 0 HE ARG A 45 1.772 -3.343 -22.803 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.571 -4.435 -22.173 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.616 -5.493 -23.587 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.700 -4.696 -24.597 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.251 -5.638 -24.964 1.00 0.00 H new ATOM 706 N VAL A 46 2.296 -2.314 -17.366 1.00 0.00 N ATOM 707 CA VAL A 46 1.732 -3.112 -16.290 1.00 0.00 C ATOM 708 C VAL A 46 0.209 -3.149 -16.432 1.00 0.00 C ATOM 709 O VAL A 46 -0.465 -2.149 -16.187 1.00 0.00 O ATOM 710 CB VAL A 46 2.193 -2.566 -14.937 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.277 -3.683 -13.895 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.532 -1.835 -15.067 1.00 0.00 C ATOM 0 H VAL A 46 2.343 -1.313 -17.175 1.00 0.00 H new ATOM 0 HA VAL A 46 2.089 -4.140 -16.350 1.00 0.00 H new ATOM 0 HB VAL A 46 1.450 -1.845 -14.596 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.607 -3.268 -12.943 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.295 -4.140 -13.771 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.989 -4.438 -14.228 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.836 -1.457 -14.091 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.288 -2.525 -15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.426 -1.002 -15.762 1.00 0.00 H new ATOM 722 N GLN A 47 -0.289 -4.310 -16.827 1.00 0.00 N ATOM 723 CA GLN A 47 -1.720 -4.491 -17.005 1.00 0.00 C ATOM 724 C GLN A 47 -2.296 -5.324 -15.859 1.00 0.00 C ATOM 725 O GLN A 47 -1.808 -6.418 -15.574 1.00 0.00 O ATOM 726 CB GLN A 47 -2.027 -5.133 -18.358 1.00 0.00 C ATOM 727 CG GLN A 47 -3.443 -5.714 -18.381 1.00 0.00 C ATOM 728 CD GLN A 47 -4.156 -5.368 -19.689 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.640 -6.228 -20.409 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.195 -4.066 -19.958 1.00 0.00 N ATOM 0 H GLN A 47 0.273 -5.137 -17.029 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.195 -3.510 -16.990 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.922 -4.390 -19.149 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.303 -5.922 -18.563 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.398 -6.797 -18.263 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.013 -5.325 -17.538 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.771 -3.399 -19.313 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.649 -3.734 -20.809 1.00 0.00 H new ATOM 739 N GLN A 48 -3.326 -4.776 -15.230 1.00 0.00 N ATOM 740 CA GLN A 48 -3.973 -5.455 -14.121 1.00 0.00 C ATOM 741 C GLN A 48 -5.043 -6.419 -14.639 1.00 0.00 C ATOM 742 O GLN A 48 -5.988 -6.003 -15.307 1.00 0.00 O ATOM 743 CB GLN A 48 -4.573 -4.449 -13.137 1.00 0.00 C ATOM 744 CG GLN A 48 -5.186 -5.161 -11.930 1.00 0.00 C ATOM 745 CD GLN A 48 -6.708 -5.247 -12.058 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.440 -4.338 -11.704 1.00 0.00 O ATOM 747 NE2 GLN A 48 -7.142 -6.389 -12.585 1.00 0.00 N ATOM 0 H GLN A 48 -3.728 -3.869 -15.468 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.219 -6.033 -13.586 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.800 -3.758 -12.802 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.336 -3.855 -13.639 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.768 -6.164 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.924 -4.627 -11.017 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.475 -7.110 -12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.142 -6.544 -12.714 1.00 0.00 H new ATOM 756 N ILE A 49 -4.857 -7.690 -14.312 1.00 0.00 N ATOM 757 CA ILE A 49 -5.795 -8.716 -14.735 1.00 0.00 C ATOM 758 C ILE A 49 -5.735 -9.890 -13.757 1.00 0.00 C ATOM 759 O ILE A 49 -4.766 -10.033 -13.013 1.00 0.00 O ATOM 760 CB ILE A 49 -5.534 -9.112 -16.190 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.255 -9.943 -16.311 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.507 -7.881 -17.098 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.014 -9.050 -16.243 1.00 0.00 C ATOM 0 H ILE A 49 -4.071 -8.032 -13.759 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.815 -8.334 -14.711 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.359 -9.740 -16.526 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.220 -10.682 -15.511 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.261 -10.492 -17.252 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.320 -8.191 -18.126 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.467 -7.367 -17.043 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.715 -7.206 -16.773 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.118 -9.665 -16.331 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.040 -8.328 -17.059 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.998 -8.521 -15.290 1.00 0.00 H new ATOM 775 N GLN A 50 -6.782 -10.702 -13.790 1.00 0.00 N ATOM 776 CA GLN A 50 -6.860 -11.860 -12.916 1.00 0.00 C ATOM 777 C GLN A 50 -6.163 -13.059 -13.561 1.00 0.00 C ATOM 778 O GLN A 50 -6.582 -13.532 -14.616 1.00 0.00 O ATOM 779 CB GLN A 50 -8.314 -12.190 -12.573 1.00 0.00 C ATOM 780 CG GLN A 50 -8.603 -11.917 -11.096 1.00 0.00 C ATOM 781 CD GLN A 50 -8.871 -10.430 -10.855 1.00 0.00 C ATOM 782 OE1 GLN A 50 -9.980 -9.940 -10.996 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.796 -9.740 -10.485 1.00 0.00 N ATOM 0 H GLN A 50 -7.584 -10.580 -14.409 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.346 -11.624 -11.984 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.982 -11.594 -13.194 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.517 -13.237 -12.800 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.465 -12.502 -10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.756 -12.240 -10.490 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.897 -10.211 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.871 -8.740 -10.301 1.00 0.00 H new ATOM 792 N VAL A 51 -5.110 -13.517 -12.898 1.00 0.00 N ATOM 793 CA VAL A 51 -4.351 -14.653 -13.393 1.00 0.00 C ATOM 794 C VAL A 51 -3.649 -15.341 -12.221 1.00 0.00 C ATOM 795 O VAL A 51 -3.135 -14.675 -11.324 1.00 0.00 O ATOM 796 CB VAL A 51 -3.382 -14.198 -14.488 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.262 -13.334 -13.904 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.810 -15.397 -15.246 1.00 0.00 C ATOM 0 H VAL A 51 -4.765 -13.122 -12.023 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.015 -15.387 -13.850 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.941 -13.588 -15.198 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.588 -13.024 -14.702 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.693 -12.452 -13.430 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.707 -13.910 -13.163 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.125 -15.046 -16.018 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.274 -16.044 -14.552 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.623 -15.956 -15.709 1.00 0.00 H new ATOM 808 N PRO A 52 -3.650 -16.700 -12.269 1.00 0.00 N ATOM 809 CA PRO A 52 -3.019 -17.486 -11.222 1.00 0.00 C ATOM 810 C PRO A 52 -1.495 -17.448 -11.350 1.00 0.00 C ATOM 811 O PRO A 52 -0.955 -17.645 -12.439 1.00 0.00 O ATOM 812 CB PRO A 52 -3.595 -18.884 -11.379 1.00 0.00 C ATOM 813 CG PRO A 52 -4.166 -18.944 -12.786 1.00 0.00 C ATOM 814 CD PRO A 52 -4.249 -17.522 -13.316 1.00 0.00 C ATOM 0 HA PRO A 52 -3.220 -17.097 -10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.825 -19.642 -11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.369 -19.073 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.533 -19.555 -13.429 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.153 -19.407 -12.778 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.710 -17.418 -14.258 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.282 -17.230 -13.506 1.00 0.00 H new ATOM 822 N LEU A 53 -0.845 -17.195 -10.225 1.00 0.00 N ATOM 823 CA LEU A 53 0.607 -17.129 -10.198 1.00 0.00 C ATOM 824 C LEU A 53 1.179 -18.547 -10.176 1.00 0.00 C ATOM 825 O LEU A 53 1.081 -19.244 -9.167 1.00 0.00 O ATOM 826 CB LEU A 53 1.082 -16.256 -9.034 1.00 0.00 C ATOM 827 CG LEU A 53 0.527 -14.831 -8.995 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.011 -14.482 -7.597 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.567 -13.823 -9.489 1.00 0.00 C ATOM 0 H LEU A 53 -1.296 -17.033 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 53 0.983 -16.648 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.817 -16.754 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.170 -16.200 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.323 -14.777 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.378 -13.464 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.784 -15.174 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.827 -14.559 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.146 -12.818 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.451 -13.871 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.845 -14.061 -10.516 1.00 0.00 H new ATOM 841 N GLY A 54 1.762 -18.933 -11.302 1.00 0.00 N ATOM 842 CA GLY A 54 2.349 -20.257 -11.423 1.00 0.00 C ATOM 843 C GLY A 54 3.623 -20.372 -10.583 1.00 0.00 C ATOM 844 O GLY A 54 3.566 -20.322 -9.355 1.00 0.00 O ATOM 0 H GLY A 54 1.840 -18.353 -12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.628 -21.009 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.579 -20.462 -12.468 1.00 0.00 H new ATOM 848 N ASP A 55 4.740 -20.524 -11.278 1.00 0.00 N ATOM 849 CA ASP A 55 6.025 -20.647 -10.610 1.00 0.00 C ATOM 850 C ASP A 55 6.358 -19.329 -9.908 1.00 0.00 C ATOM 851 O ASP A 55 5.522 -18.429 -9.839 1.00 0.00 O ATOM 852 CB ASP A 55 7.141 -20.944 -11.614 1.00 0.00 C ATOM 853 CG ASP A 55 7.750 -22.344 -11.508 1.00 0.00 C ATOM 854 OD1 ASP A 55 8.841 -22.524 -10.948 1.00 0.00 O ATOM 855 OD2 ASP A 55 7.047 -23.286 -12.038 1.00 0.00 O ATOM 0 H ASP A 55 4.783 -20.565 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 55 5.957 -21.466 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.748 -20.811 -12.622 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.934 -20.208 -11.481 1.00 0.00 H new ATOM 861 N ALA A 56 7.583 -19.257 -9.406 1.00 0.00 N ATOM 862 CA ALA A 56 8.037 -18.063 -8.712 1.00 0.00 C ATOM 863 C ALA A 56 9.563 -17.985 -8.786 1.00 0.00 C ATOM 864 O ALA A 56 10.238 -17.951 -7.758 1.00 0.00 O ATOM 865 CB ALA A 56 7.523 -18.085 -7.270 1.00 0.00 C ATOM 0 H ALA A 56 8.274 -20.005 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 56 7.638 -17.167 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.863 -17.190 -6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.433 -18.112 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.906 -18.969 -6.761 1.00 0.00 H new ATOM 871 N ALA A 57 10.063 -17.960 -10.013 1.00 0.00 N ATOM 872 CA ALA A 57 11.497 -17.886 -10.235 1.00 0.00 C ATOM 873 C ALA A 57 11.882 -16.446 -10.578 1.00 0.00 C ATOM 874 O ALA A 57 11.262 -15.501 -10.093 1.00 0.00 O ATOM 875 CB ALA A 57 11.896 -18.874 -11.333 1.00 0.00 C ATOM 0 H ALA A 57 9.501 -17.990 -10.863 1.00 0.00 H new ATOM 0 HA ALA A 57 12.040 -18.166 -9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.972 -18.818 -11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.628 -19.885 -11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.373 -18.623 -12.256 1.00 0.00 H new ATOM 881 N ARG A 58 12.905 -16.323 -11.412 1.00 0.00 N ATOM 882 CA ARG A 58 13.380 -15.013 -11.827 1.00 0.00 C ATOM 883 C ARG A 58 13.666 -15.004 -13.329 1.00 0.00 C ATOM 884 O ARG A 58 14.778 -14.689 -13.750 1.00 0.00 O ATOM 885 CB ARG A 58 14.651 -14.624 -11.069 1.00 0.00 C ATOM 886 CG ARG A 58 14.536 -14.978 -9.585 1.00 0.00 C ATOM 887 CD ARG A 58 15.252 -16.295 -9.278 1.00 0.00 C ATOM 888 NE ARG A 58 14.435 -17.114 -8.355 1.00 0.00 N ATOM 889 CZ ARG A 58 14.709 -18.396 -8.036 1.00 0.00 C ATOM 890 NH1 ARG A 58 15.786 -19.018 -8.562 1.00 0.00 N ATOM 891 NH2 ARG A 58 13.911 -19.032 -7.200 1.00 0.00 N ATOM 0 H ARG A 58 13.418 -17.109 -11.812 1.00 0.00 H new ATOM 0 HA ARG A 58 12.598 -14.288 -11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.509 -15.137 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.831 -13.554 -11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.965 -14.178 -8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.485 -15.058 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.432 -16.844 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.226 -16.093 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 58 13.613 -16.682 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.400 -18.518 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.986 -19.987 -8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.101 -18.554 -6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.104 -20.001 -6.949 1.00 0.00 H new ATOM 904 N PRO A 59 12.617 -15.362 -14.117 1.00 0.00 N ATOM 905 CA PRO A 59 12.746 -15.398 -15.564 1.00 0.00 C ATOM 906 C PRO A 59 12.747 -13.984 -16.149 1.00 0.00 C ATOM 907 O PRO A 59 13.589 -13.654 -16.983 1.00 0.00 O ATOM 908 CB PRO A 59 11.573 -16.237 -16.042 1.00 0.00 C ATOM 909 CG PRO A 59 10.575 -16.251 -14.896 1.00 0.00 C ATOM 910 CD PRO A 59 11.286 -15.741 -13.652 1.00 0.00 C ATOM 0 HA PRO A 59 13.690 -15.833 -15.892 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.129 -15.810 -16.941 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.893 -17.248 -16.293 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.716 -15.622 -15.130 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.196 -17.260 -14.732 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.761 -14.891 -13.216 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.339 -16.511 -12.882 1.00 0.00 H new ATOM 918 N SER A 60 11.795 -13.186 -15.688 1.00 0.00 N ATOM 919 CA SER A 60 11.674 -11.816 -16.157 1.00 0.00 C ATOM 920 C SER A 60 12.782 -10.955 -15.546 1.00 0.00 C ATOM 921 O SER A 60 12.868 -9.759 -15.822 1.00 0.00 O ATOM 922 CB SER A 60 10.301 -11.235 -15.816 1.00 0.00 C ATOM 923 OG SER A 60 9.895 -11.568 -14.490 1.00 0.00 O ATOM 0 H SER A 60 11.100 -13.462 -14.994 1.00 0.00 H new ATOM 0 HA SER A 60 11.778 -11.816 -17.242 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.329 -10.151 -15.925 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.563 -11.608 -16.526 1.00 0.00 H new ATOM 0 HG SER A 60 9.097 -11.051 -14.253 1.00 0.00 H new ATOM 929 N HIS A 61 13.602 -11.596 -14.727 1.00 0.00 N ATOM 930 CA HIS A 61 14.701 -10.904 -14.075 1.00 0.00 C ATOM 931 C HIS A 61 16.025 -11.327 -14.714 1.00 0.00 C ATOM 932 O HIS A 61 16.901 -10.495 -14.943 1.00 0.00 O ATOM 933 CB HIS A 61 14.670 -11.139 -12.563 1.00 0.00 C ATOM 934 CG HIS A 61 13.281 -11.303 -11.995 1.00 0.00 C ATOM 935 ND1 HIS A 61 13.034 -11.930 -10.787 1.00 0.00 N ATOM 936 CD2 HIS A 61 12.068 -10.913 -12.482 1.00 0.00 C ATOM 937 CE1 HIS A 61 11.728 -11.915 -10.566 1.00 0.00 C ATOM 938 NE2 HIS A 61 11.130 -11.283 -11.618 1.00 0.00 N ATOM 0 H HIS A 61 13.528 -12.588 -14.500 1.00 0.00 H new ATOM 0 HA HIS A 61 14.595 -9.829 -14.219 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.253 -12.030 -12.332 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.158 -10.301 -12.065 1.00 0.00 H new ATOM 0 HD1 HIS A 61 13.738 -12.335 -10.171 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.899 -10.392 -13.413 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.225 -12.330 -9.705 1.00 0.00 H new ATOM 946 N LEU A 62 16.129 -12.621 -14.983 1.00 0.00 N ATOM 947 CA LEU A 62 17.332 -13.164 -15.591 1.00 0.00 C ATOM 948 C LEU A 62 17.221 -13.060 -17.113 1.00 0.00 C ATOM 949 O LEU A 62 18.191 -12.718 -17.787 1.00 0.00 O ATOM 950 CB LEU A 62 17.589 -14.586 -15.089 1.00 0.00 C ATOM 951 CG LEU A 62 18.475 -14.710 -13.847 1.00 0.00 C ATOM 952 CD1 LEU A 62 17.995 -15.846 -12.942 1.00 0.00 C ATOM 953 CD2 LEU A 62 19.946 -14.869 -14.237 1.00 0.00 C ATOM 0 H LEU A 62 15.400 -13.308 -14.791 1.00 0.00 H new ATOM 0 HA LEU A 62 18.205 -12.582 -15.295 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.628 -15.053 -14.873 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.047 -15.158 -15.896 1.00 0.00 H new ATOM 0 HG LEU A 62 18.392 -13.786 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.642 -15.912 -12.067 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.972 -15.649 -12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.029 -16.787 -13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.554 -14.955 -13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.067 -15.767 -14.843 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.267 -13.999 -14.810 1.00 0.00 H new ATOM 965 N LEU A 63 16.030 -13.359 -17.610 1.00 0.00 N ATOM 966 CA LEU A 63 15.780 -13.302 -19.039 1.00 0.00 C ATOM 967 C LEU A 63 15.779 -11.841 -19.496 1.00 0.00 C ATOM 968 O LEU A 63 16.646 -11.426 -20.263 1.00 0.00 O ATOM 969 CB LEU A 63 14.495 -14.056 -19.390 1.00 0.00 C ATOM 970 CG LEU A 63 14.440 -14.676 -20.787 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.454 -15.845 -20.830 1.00 0.00 C ATOM 972 CD2 LEU A 63 14.120 -13.616 -21.844 1.00 0.00 C ATOM 0 H LEU A 63 15.227 -13.642 -17.048 1.00 0.00 H new ATOM 0 HA LEU A 63 16.578 -13.807 -19.584 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.351 -14.849 -18.656 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.655 -13.369 -19.286 1.00 0.00 H new ATOM 0 HG LEU A 63 15.425 -15.078 -21.022 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.434 -16.268 -21.835 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.767 -16.611 -20.120 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.458 -15.491 -20.566 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.087 -14.082 -22.829 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.153 -13.163 -21.624 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.892 -12.847 -21.833 1.00 0.00 H new ATOM 984 N THR A 64 14.796 -11.102 -19.004 1.00 0.00 N ATOM 985 CA THR A 64 14.671 -9.697 -19.350 1.00 0.00 C ATOM 986 C THR A 64 15.798 -8.886 -18.705 1.00 0.00 C ATOM 987 O THR A 64 16.655 -8.345 -19.401 1.00 0.00 O ATOM 988 CB THR A 64 13.274 -9.229 -18.937 1.00 0.00 C ATOM 989 OG1 THR A 64 12.441 -9.624 -20.023 1.00 0.00 O ATOM 990 CG2 THR A 64 13.151 -7.704 -18.907 1.00 0.00 C ATOM 0 H THR A 64 14.078 -11.450 -18.368 1.00 0.00 H new ATOM 0 HA THR A 64 14.776 -9.545 -20.424 1.00 0.00 H new ATOM 0 HB THR A 64 13.033 -9.631 -17.953 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.509 -9.660 -19.724 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.140 -7.426 -18.608 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.866 -7.295 -18.193 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.359 -7.303 -19.899 1.00 0.00 H new ATOM 998 N SER A 65 15.760 -8.830 -17.381 1.00 0.00 N ATOM 999 CA SER A 65 16.767 -8.096 -16.634 1.00 0.00 C ATOM 1000 C SER A 65 16.562 -6.590 -16.819 1.00 0.00 C ATOM 1001 O SER A 65 17.528 -5.840 -16.949 1.00 0.00 O ATOM 1002 CB SER A 65 18.177 -8.496 -17.070 1.00 0.00 C ATOM 1003 OG SER A 65 18.624 -7.740 -18.193 1.00 0.00 O ATOM 0 H SER A 65 15.048 -9.281 -16.807 1.00 0.00 H new ATOM 0 HA SER A 65 16.658 -8.345 -15.578 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.868 -8.353 -16.239 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.192 -9.557 -17.318 1.00 0.00 H new ATOM 0 HG SER A 65 18.081 -7.966 -18.977 1.00 0.00 H new ATOM 1009 N GLN A 66 15.298 -6.194 -16.825 1.00 0.00 N ATOM 1010 CA GLN A 66 14.953 -4.793 -16.991 1.00 0.00 C ATOM 1011 C GLN A 66 14.085 -4.317 -15.824 1.00 0.00 C ATOM 1012 O GLN A 66 14.483 -3.431 -15.070 1.00 0.00 O ATOM 1013 CB GLN A 66 14.252 -4.555 -18.330 1.00 0.00 C ATOM 1014 CG GLN A 66 15.269 -4.373 -19.458 1.00 0.00 C ATOM 1015 CD GLN A 66 15.148 -5.495 -20.490 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.057 -6.282 -20.699 1.00 0.00 O ATOM 1017 NE2 GLN A 66 13.978 -5.525 -21.122 1.00 0.00 N ATOM 0 H GLN A 66 14.500 -6.820 -16.717 1.00 0.00 H new ATOM 0 HA GLN A 66 15.874 -4.211 -16.993 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.599 -5.398 -18.557 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.619 -3.671 -18.261 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.112 -3.409 -19.943 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.278 -4.361 -19.045 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.260 -4.836 -20.899 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.799 -6.237 -21.830 1.00 0.00 H new ATOM 1026 N LEU A 67 12.914 -4.928 -15.713 1.00 0.00 N ATOM 1027 CA LEU A 67 11.987 -4.580 -14.650 1.00 0.00 C ATOM 1028 C LEU A 67 12.589 -4.979 -13.302 1.00 0.00 C ATOM 1029 O LEU A 67 13.255 -6.008 -13.196 1.00 0.00 O ATOM 1030 CB LEU A 67 10.612 -5.195 -14.916 1.00 0.00 C ATOM 1031 CG LEU A 67 9.871 -4.675 -16.149 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.707 -4.873 -17.415 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.488 -5.318 -16.270 1.00 0.00 C ATOM 0 H LEU A 67 12.587 -5.661 -16.342 1.00 0.00 H new ATOM 0 HA LEU A 67 11.828 -3.502 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.732 -6.274 -15.017 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.985 -5.025 -14.041 1.00 0.00 H new ATOM 0 HG LEU A 67 9.718 -3.603 -16.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.157 -4.495 -18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.648 -4.331 -17.318 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.913 -5.935 -17.553 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.983 -4.931 -17.155 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.596 -6.399 -16.358 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.899 -5.083 -15.384 1.00 0.00 H new ATOM 1045 N PRO A 68 12.327 -4.122 -12.278 1.00 0.00 N ATOM 1046 CA PRO A 68 12.835 -4.376 -10.941 1.00 0.00 C ATOM 1047 C PRO A 68 12.045 -5.491 -10.255 1.00 0.00 C ATOM 1048 O PRO A 68 10.983 -5.890 -10.734 1.00 0.00 O ATOM 1049 CB PRO A 68 12.728 -3.042 -10.220 1.00 0.00 C ATOM 1050 CG PRO A 68 11.739 -2.212 -11.023 1.00 0.00 C ATOM 1051 CD PRO A 68 11.542 -2.895 -12.367 1.00 0.00 C ATOM 0 HA PRO A 68 13.865 -4.731 -10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.382 -3.179 -9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.698 -2.549 -10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.790 -2.131 -10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.115 -1.198 -11.161 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.490 -3.111 -12.551 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.886 -2.264 -13.186 1.00 0.00 H new ATOM 1059 N LEU A 69 12.590 -5.964 -9.145 1.00 0.00 N ATOM 1060 CA LEU A 69 11.950 -7.027 -8.389 1.00 0.00 C ATOM 1061 C LEU A 69 10.752 -6.455 -7.629 1.00 0.00 C ATOM 1062 O LEU A 69 9.862 -7.198 -7.215 1.00 0.00 O ATOM 1063 CB LEU A 69 12.966 -7.735 -7.492 1.00 0.00 C ATOM 1064 CG LEU A 69 12.937 -9.264 -7.521 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.660 -9.800 -6.871 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.118 -9.789 -8.946 1.00 0.00 C ATOM 0 H LEU A 69 13.469 -5.630 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 69 11.566 -7.794 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.965 -7.405 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.804 -7.408 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 69 13.777 -9.633 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.664 -10.889 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.613 -9.469 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.791 -9.424 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.094 -10.879 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.313 -9.412 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.076 -9.450 -9.339 1.00 0.00 H new ATOM 1078 N MET A 70 10.766 -5.141 -7.468 1.00 0.00 N ATOM 1079 CA MET A 70 9.693 -4.460 -6.763 1.00 0.00 C ATOM 1080 C MET A 70 9.678 -2.966 -7.096 1.00 0.00 C ATOM 1081 O MET A 70 10.733 -2.343 -7.211 1.00 0.00 O ATOM 1082 CB MET A 70 9.872 -4.647 -5.256 1.00 0.00 C ATOM 1083 CG MET A 70 8.880 -3.783 -4.474 1.00 0.00 C ATOM 1084 SD MET A 70 9.757 -2.722 -3.340 1.00 0.00 S ATOM 1085 CE MET A 70 10.629 -3.947 -2.378 1.00 0.00 C ATOM 0 H MET A 70 11.504 -4.528 -7.814 1.00 0.00 H new ATOM 0 HA MET A 70 8.744 -4.892 -7.081 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.729 -5.696 -4.997 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.891 -4.384 -4.972 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.287 -3.182 -5.163 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.184 -4.419 -3.926 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.732 -3.597 -1.351 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.070 -4.883 -2.388 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.618 -4.110 -2.807 1.00 0.00 H new ATOM 1095 N TRP A 71 8.473 -2.436 -7.238 1.00 0.00 N ATOM 1096 CA TRP A 71 8.309 -1.028 -7.554 1.00 0.00 C ATOM 1097 C TRP A 71 7.817 -0.314 -6.292 1.00 0.00 C ATOM 1098 O TRP A 71 7.208 -0.934 -5.422 1.00 0.00 O ATOM 1099 CB TRP A 71 7.373 -0.839 -8.750 1.00 0.00 C ATOM 1100 CG TRP A 71 8.087 -0.833 -10.103 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.195 -0.163 -10.448 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.694 -1.560 -11.286 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.545 -0.406 -11.762 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.603 -1.282 -12.286 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.607 -2.425 -11.503 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.516 -1.827 -13.574 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.535 -2.962 -12.794 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.441 -2.692 -13.812 1.00 0.00 C ATOM 0 H TRP A 71 7.601 -2.956 -7.140 1.00 0.00 H new ATOM 0 HA TRP A 71 9.259 -0.588 -7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.630 -1.636 -8.746 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.833 0.101 -8.631 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.745 0.486 -9.782 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.347 -0.015 -12.256 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.885 -2.657 -10.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.239 -1.593 -14.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.718 -3.633 -13.014 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.317 -3.148 -14.783 1.00 0.00 H new ATOM 1119 N GLN A 72 8.099 0.979 -6.234 1.00 0.00 N ATOM 1120 CA GLN A 72 7.693 1.783 -5.094 1.00 0.00 C ATOM 1121 C GLN A 72 7.126 3.124 -5.565 1.00 0.00 C ATOM 1122 O GLN A 72 7.879 4.034 -5.909 1.00 0.00 O ATOM 1123 CB GLN A 72 8.860 1.990 -4.126 1.00 0.00 C ATOM 1124 CG GLN A 72 8.352 2.273 -2.710 1.00 0.00 C ATOM 1125 CD GLN A 72 8.122 0.971 -1.940 1.00 0.00 C ATOM 1126 OE1 GLN A 72 8.952 0.522 -1.168 1.00 0.00 O ATOM 1127 NE2 GLN A 72 6.951 0.394 -2.192 1.00 0.00 N ATOM 0 H GLN A 72 8.604 1.490 -6.958 1.00 0.00 H new ATOM 0 HA GLN A 72 6.909 1.248 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.493 1.103 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.478 2.820 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.074 2.892 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.422 2.839 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.302 0.824 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.702 -0.479 -1.727 1.00 0.00 H new ATOM 1136 N LEU A 73 5.803 3.204 -5.566 1.00 0.00 N ATOM 1137 CA LEU A 73 5.127 4.419 -5.989 1.00 0.00 C ATOM 1138 C LEU A 73 5.702 5.611 -5.222 1.00 0.00 C ATOM 1139 O LEU A 73 5.529 5.716 -4.009 1.00 0.00 O ATOM 1140 CB LEU A 73 3.612 4.267 -5.843 1.00 0.00 C ATOM 1141 CG LEU A 73 2.787 5.536 -6.065 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.268 6.294 -7.303 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.293 5.212 -6.136 1.00 0.00 C ATOM 0 H LEU A 73 5.181 2.447 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 73 5.305 4.605 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.273 3.509 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.399 3.889 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 73 2.935 6.194 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.664 7.192 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.313 6.575 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.170 5.656 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.729 6.131 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.108 4.526 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.976 4.748 -5.202 1.00 0.00 H new ATOM 1155 N TYR A 74 6.376 6.480 -5.962 1.00 0.00 N ATOM 1156 CA TYR A 74 6.978 7.661 -5.367 1.00 0.00 C ATOM 1157 C TYR A 74 6.121 8.901 -5.624 1.00 0.00 C ATOM 1158 O TYR A 74 5.051 8.809 -6.225 1.00 0.00 O ATOM 1159 CB TYR A 74 8.330 7.838 -6.059 1.00 0.00 C ATOM 1160 CG TYR A 74 9.530 7.758 -5.111 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.538 6.835 -4.086 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.603 8.610 -5.283 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.667 6.759 -3.195 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.730 8.533 -4.391 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.706 7.612 -3.391 1.00 0.00 C ATOM 1166 OH TYR A 74 12.773 7.541 -2.549 1.00 0.00 O ATOM 0 H TYR A 74 6.518 6.389 -6.968 1.00 0.00 H new ATOM 0 HA TYR A 74 7.073 7.542 -4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.436 7.073 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.344 8.803 -6.565 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.698 6.170 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.597 9.333 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.687 6.040 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.576 9.193 -4.513 1.00 0.00 H new ATOM 0 HH TYR A 74 13.536 7.146 -3.020 1.00 0.00 H new ATOM 1176 N PRO A 75 6.634 10.066 -5.141 1.00 0.00 N ATOM 1177 CA PRO A 75 5.927 11.323 -5.310 1.00 0.00 C ATOM 1178 C PRO A 75 6.044 11.828 -6.750 1.00 0.00 C ATOM 1179 O PRO A 75 6.774 11.252 -7.557 1.00 0.00 O ATOM 1180 CB PRO A 75 6.554 12.266 -4.298 1.00 0.00 C ATOM 1181 CG PRO A 75 7.891 11.649 -3.923 1.00 0.00 C ATOM 1182 CD PRO A 75 7.897 10.213 -4.423 1.00 0.00 C ATOM 0 HA PRO A 75 4.855 11.229 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.689 13.261 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.916 12.378 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.710 12.212 -4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.036 11.678 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.749 10.025 -5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.967 9.506 -3.596 1.00 0.00 H new ATOM 1190 N GLU A 76 5.315 12.898 -7.030 1.00 0.00 N ATOM 1191 CA GLU A 76 5.329 13.488 -8.357 1.00 0.00 C ATOM 1192 C GLU A 76 4.400 12.711 -9.293 1.00 0.00 C ATOM 1193 O GLU A 76 3.269 13.127 -9.537 1.00 0.00 O ATOM 1194 CB GLU A 76 6.751 13.543 -8.918 1.00 0.00 C ATOM 1195 CG GLU A 76 7.107 14.960 -9.373 1.00 0.00 C ATOM 1196 CD GLU A 76 6.929 15.112 -10.884 1.00 0.00 C ATOM 1197 OE1 GLU A 76 6.992 14.115 -11.620 1.00 0.00 O ATOM 1198 OE2 GLU A 76 6.718 16.317 -11.290 1.00 0.00 O ATOM 0 H GLU A 76 4.710 13.372 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 76 4.964 14.512 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.459 13.213 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.841 12.854 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.476 15.682 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.138 15.185 -9.100 1.00 0.00 H new ATOM 1206 N GLU A 77 4.913 11.595 -9.791 1.00 0.00 N ATOM 1207 CA GLU A 77 4.145 10.756 -10.694 1.00 0.00 C ATOM 1208 C GLU A 77 5.053 9.719 -11.359 1.00 0.00 C ATOM 1209 O GLU A 77 5.037 9.566 -12.579 1.00 0.00 O ATOM 1210 CB GLU A 77 3.418 11.600 -11.743 1.00 0.00 C ATOM 1211 CG GLU A 77 2.591 10.719 -12.680 1.00 0.00 C ATOM 1212 CD GLU A 77 1.455 11.517 -13.324 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.534 11.859 -14.513 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.463 11.780 -12.542 1.00 0.00 O ATOM 0 H GLU A 77 5.852 11.253 -9.586 1.00 0.00 H new ATOM 0 HA GLU A 77 3.389 10.228 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.767 12.321 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.144 12.171 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.234 10.304 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.179 9.877 -12.124 1.00 0.00 H new ATOM 1222 N ARG A 78 5.823 9.034 -10.526 1.00 0.00 N ATOM 1223 CA ARG A 78 6.737 8.018 -11.018 1.00 0.00 C ATOM 1224 C ARG A 78 6.885 6.895 -9.988 1.00 0.00 C ATOM 1225 O ARG A 78 6.514 7.060 -8.827 1.00 0.00 O ATOM 1226 CB ARG A 78 8.116 8.612 -11.313 1.00 0.00 C ATOM 1227 CG ARG A 78 7.999 9.842 -12.217 1.00 0.00 C ATOM 1228 CD ARG A 78 7.732 11.104 -11.394 1.00 0.00 C ATOM 1229 NE ARG A 78 8.858 12.053 -11.544 1.00 0.00 N ATOM 1230 CZ ARG A 78 9.953 12.060 -10.755 1.00 0.00 C ATOM 1231 NH1 ARG A 78 10.079 11.167 -9.751 1.00 0.00 N ATOM 1232 NH2 ARG A 78 10.899 12.954 -10.980 1.00 0.00 N ATOM 0 H ARG A 78 5.832 9.163 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 78 6.321 7.618 -11.943 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.605 8.888 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.745 7.862 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.918 9.965 -12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.192 9.694 -12.935 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.804 11.573 -11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.603 10.843 -10.344 1.00 0.00 H new ATOM 0 HE ARG A 78 8.803 12.745 -12.291 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.344 10.480 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.910 11.179 -9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.796 13.625 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.733 12.973 -10.393 1.00 0.00 H new ATOM 1245 N TYR A 79 7.427 5.778 -10.452 1.00 0.00 N ATOM 1246 CA TYR A 79 7.628 4.629 -9.586 1.00 0.00 C ATOM 1247 C TYR A 79 9.118 4.372 -9.355 1.00 0.00 C ATOM 1248 O TYR A 79 9.876 4.187 -10.306 1.00 0.00 O ATOM 1249 CB TYR A 79 7.026 3.433 -10.327 1.00 0.00 C ATOM 1250 CG TYR A 79 5.573 3.134 -9.949 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.704 4.171 -9.678 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.133 1.828 -9.878 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.337 3.890 -9.322 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.766 1.547 -9.523 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.936 2.592 -9.262 1.00 0.00 C ATOM 1256 OH TYR A 79 1.644 2.327 -8.927 1.00 0.00 O ATOM 0 H TYR A 79 7.733 5.645 -11.416 1.00 0.00 H new ATOM 0 HA TYR A 79 7.165 4.795 -8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.081 3.618 -11.400 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.632 2.550 -10.124 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.049 5.193 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.814 1.017 -10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.646 4.692 -9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.408 0.530 -9.465 1.00 0.00 H new ATOM 0 HH TYR A 79 1.596 1.463 -8.468 1.00 0.00 H new ATOM 1266 N MET A 80 9.495 4.367 -8.084 1.00 0.00 N ATOM 1267 CA MET A 80 10.881 4.136 -7.716 1.00 0.00 C ATOM 1268 C MET A 80 11.108 2.673 -7.327 1.00 0.00 C ATOM 1269 O MET A 80 10.523 2.186 -6.361 1.00 0.00 O ATOM 1270 CB MET A 80 11.254 5.041 -6.539 1.00 0.00 C ATOM 1271 CG MET A 80 12.707 4.813 -6.113 1.00 0.00 C ATOM 1272 SD MET A 80 13.409 6.336 -5.501 1.00 0.00 S ATOM 1273 CE MET A 80 14.961 6.337 -6.381 1.00 0.00 C ATOM 0 H MET A 80 8.864 4.519 -7.297 1.00 0.00 H new ATOM 0 HA MET A 80 11.510 4.366 -8.576 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.112 6.085 -6.819 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.589 4.843 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.752 4.046 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.290 4.448 -6.959 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.530 7.227 -6.114 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.531 5.447 -6.114 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.771 6.337 -7.454 1.00 0.00 H new ATOM 1283 N ASP A 81 11.959 2.014 -8.100 1.00 0.00 N ATOM 1284 CA ASP A 81 12.269 0.618 -7.849 1.00 0.00 C ATOM 1285 C ASP A 81 13.112 0.508 -6.576 1.00 0.00 C ATOM 1286 O ASP A 81 13.244 1.476 -5.830 1.00 0.00 O ATOM 1287 CB ASP A 81 13.075 0.017 -9.002 1.00 0.00 C ATOM 1288 CG ASP A 81 14.531 0.479 -9.084 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.355 -0.126 -9.786 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.812 1.523 -8.379 1.00 0.00 O ATOM 0 H ASP A 81 12.443 2.422 -8.900 1.00 0.00 H new ATOM 0 HA ASP A 81 11.328 0.077 -7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.059 -1.069 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.578 0.264 -9.940 1.00 0.00 H new ATOM 1296 N ASN A 82 13.660 -0.681 -6.368 1.00 0.00 N ATOM 1297 CA ASN A 82 14.485 -0.930 -5.199 1.00 0.00 C ATOM 1298 C ASN A 82 15.904 -1.283 -5.648 1.00 0.00 C ATOM 1299 O ASN A 82 16.781 -1.522 -4.818 1.00 0.00 O ATOM 1300 CB ASN A 82 13.943 -2.104 -4.381 1.00 0.00 C ATOM 1301 CG ASN A 82 14.053 -3.414 -5.162 1.00 0.00 C ATOM 1302 OD1 ASN A 82 15.057 -4.108 -5.124 1.00 0.00 O ATOM 1303 ND2 ASN A 82 12.968 -3.714 -5.870 1.00 0.00 N ATOM 0 H ASN A 82 13.548 -1.482 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 82 14.479 -0.030 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.497 -2.187 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.901 -1.919 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.942 -4.569 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.162 -3.089 -5.857 1.00 0.00 H new ATOM 1310 N ASN A 83 16.087 -1.306 -6.961 1.00 0.00 N ATOM 1311 CA ASN A 83 17.384 -1.627 -7.530 1.00 0.00 C ATOM 1312 C ASN A 83 18.267 -0.378 -7.515 1.00 0.00 C ATOM 1313 O ASN A 83 19.398 -0.419 -7.035 1.00 0.00 O ATOM 1314 CB ASN A 83 17.249 -2.093 -8.981 1.00 0.00 C ATOM 1315 CG ASN A 83 18.402 -3.020 -9.370 1.00 0.00 C ATOM 1316 OD1 ASN A 83 19.529 -2.600 -9.574 1.00 0.00 O ATOM 1317 ND2 ASN A 83 18.059 -4.302 -9.461 1.00 0.00 N ATOM 0 H ASN A 83 15.358 -1.107 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 83 17.825 -2.426 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.300 -2.613 -9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 83 17.234 -1.228 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.758 -5.000 -9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.097 -4.587 -9.277 1.00 0.00 H new ATOM 1324 N SER A 84 17.714 0.704 -8.044 1.00 0.00 N ATOM 1325 CA SER A 84 18.437 1.963 -8.097 1.00 0.00 C ATOM 1326 C SER A 84 18.040 2.742 -9.353 1.00 0.00 C ATOM 1327 O SER A 84 18.888 3.351 -10.005 1.00 0.00 O ATOM 1328 CB SER A 84 19.950 1.732 -8.072 1.00 0.00 C ATOM 1329 OG SER A 84 20.456 1.660 -6.742 1.00 0.00 O ATOM 0 H SER A 84 16.774 0.734 -8.439 1.00 0.00 H new ATOM 0 HA SER A 84 18.171 2.547 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.185 0.808 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.449 2.540 -8.607 1.00 0.00 H new ATOM 0 HG SER A 84 20.018 0.925 -6.265 1.00 0.00 H new ATOM 1335 N ARG A 85 16.751 2.698 -9.656 1.00 0.00 N ATOM 1336 CA ARG A 85 16.231 3.391 -10.823 1.00 0.00 C ATOM 1337 C ARG A 85 14.826 3.925 -10.540 1.00 0.00 C ATOM 1338 O ARG A 85 14.161 3.472 -9.609 1.00 0.00 O ATOM 1339 CB ARG A 85 16.182 2.463 -12.038 1.00 0.00 C ATOM 1340 CG ARG A 85 17.592 2.064 -12.480 1.00 0.00 C ATOM 1341 CD ARG A 85 17.747 2.190 -13.997 1.00 0.00 C ATOM 1342 NE ARG A 85 18.987 1.513 -14.437 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.335 1.336 -15.729 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.537 1.785 -16.721 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.467 0.717 -16.008 1.00 0.00 N ATOM 0 H ARG A 85 16.051 2.193 -9.113 1.00 0.00 H new ATOM 0 HA ARG A 85 16.902 4.222 -11.042 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.607 1.570 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.666 2.960 -12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.326 2.697 -11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.796 1.038 -12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.885 1.748 -14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.776 3.242 -14.282 1.00 0.00 H new ATOM 0 HE ARG A 85 19.618 1.158 -13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.664 2.262 -16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.807 1.647 -17.695 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.064 0.381 -15.252 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.745 0.575 -16.979 1.00 0.00 H new ATOM 1358 N LEU A 86 14.415 4.881 -11.360 1.00 0.00 N ATOM 1359 CA LEU A 86 13.101 5.482 -11.209 1.00 0.00 C ATOM 1360 C LEU A 86 12.350 5.396 -12.541 1.00 0.00 C ATOM 1361 O LEU A 86 12.781 5.975 -13.538 1.00 0.00 O ATOM 1362 CB LEU A 86 13.220 6.906 -10.662 1.00 0.00 C ATOM 1363 CG LEU A 86 12.039 7.406 -9.830 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.234 8.868 -9.424 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.717 7.189 -10.569 1.00 0.00 C ATOM 0 H LEU A 86 14.969 5.254 -12.131 1.00 0.00 H new ATOM 0 HA LEU A 86 12.514 4.932 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.120 6.965 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.361 7.586 -11.502 1.00 0.00 H new ATOM 0 HG LEU A 86 11.996 6.820 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.380 9.199 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.144 8.963 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.318 9.486 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.893 7.553 -9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.734 7.733 -11.513 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.580 6.126 -10.766 1.00 0.00 H new ATOM 1377 N TRP A 87 11.242 4.671 -12.514 1.00 0.00 N ATOM 1378 CA TRP A 87 10.430 4.501 -13.706 1.00 0.00 C ATOM 1379 C TRP A 87 9.375 5.609 -13.721 1.00 0.00 C ATOM 1380 O TRP A 87 8.740 5.879 -12.702 1.00 0.00 O ATOM 1381 CB TRP A 87 9.824 3.098 -13.762 1.00 0.00 C ATOM 1382 CG TRP A 87 10.860 1.972 -13.771 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.897 1.799 -12.940 1.00 0.00 C ATOM 1384 CD2 TRP A 87 10.917 0.864 -14.694 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.615 0.664 -13.258 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.001 0.078 -14.358 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.082 0.536 -15.776 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.348 -1.085 -15.055 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.443 -0.629 -16.462 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.530 -1.432 -16.136 1.00 0.00 C ATOM 0 H TRP A 87 10.887 4.194 -11.685 1.00 0.00 H new ATOM 0 HA TRP A 87 11.041 4.589 -14.604 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.164 2.964 -12.905 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.206 3.016 -14.656 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.140 2.464 -12.124 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.444 0.319 -12.774 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.229 1.136 -16.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.202 -1.683 -14.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.835 -0.925 -17.304 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.742 -2.319 -16.714 1.00 0.00 H new ATOM 1401 N GLN A 88 9.220 6.221 -14.886 1.00 0.00 N ATOM 1402 CA GLN A 88 8.252 7.293 -15.046 1.00 0.00 C ATOM 1403 C GLN A 88 6.913 6.731 -15.525 1.00 0.00 C ATOM 1404 O GLN A 88 6.841 6.102 -16.581 1.00 0.00 O ATOM 1405 CB GLN A 88 8.774 8.363 -16.007 1.00 0.00 C ATOM 1406 CG GLN A 88 7.631 9.241 -16.522 1.00 0.00 C ATOM 1407 CD GLN A 88 8.062 10.707 -16.605 1.00 0.00 C ATOM 1408 OE1 GLN A 88 8.920 11.086 -17.386 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.419 11.508 -15.760 1.00 0.00 N ATOM 0 H GLN A 88 9.749 5.995 -15.728 1.00 0.00 H new ATOM 0 HA GLN A 88 8.098 7.766 -14.076 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.514 8.983 -15.500 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.279 7.887 -16.848 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.316 8.894 -17.506 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.770 9.148 -15.861 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.711 11.125 -15.133 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.633 12.505 -15.739 1.00 0.00 H new ATOM 1418 N ILE A 89 5.884 6.978 -14.728 1.00 0.00 N ATOM 1419 CA ILE A 89 4.551 6.503 -15.058 1.00 0.00 C ATOM 1420 C ILE A 89 4.083 7.171 -16.352 1.00 0.00 C ATOM 1421 O ILE A 89 3.501 8.254 -16.321 1.00 0.00 O ATOM 1422 CB ILE A 89 3.600 6.715 -13.878 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.108 5.993 -12.628 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.174 6.298 -14.241 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.753 4.505 -12.673 1.00 0.00 C ATOM 0 H ILE A 89 5.946 7.501 -13.854 1.00 0.00 H new ATOM 0 HA ILE A 89 4.563 5.428 -15.239 1.00 0.00 H new ATOM 0 HB ILE A 89 3.575 7.780 -13.647 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.189 6.111 -12.550 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.672 6.448 -11.738 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.519 6.459 -13.385 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.824 6.895 -15.083 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.162 5.243 -14.514 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.125 4.015 -11.773 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.670 4.391 -12.727 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.210 4.048 -13.551 1.00 0.00 H new ATOM 1437 N GLN A 90 4.353 6.497 -17.460 1.00 0.00 N ATOM 1438 CA GLN A 90 3.966 7.010 -18.763 1.00 0.00 C ATOM 1439 C GLN A 90 2.480 7.377 -18.769 1.00 0.00 C ATOM 1440 O GLN A 90 2.103 8.444 -19.248 1.00 0.00 O ATOM 1441 CB GLN A 90 4.288 6.002 -19.867 1.00 0.00 C ATOM 1442 CG GLN A 90 4.894 6.699 -21.086 1.00 0.00 C ATOM 1443 CD GLN A 90 3.802 7.191 -22.038 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.287 8.290 -21.917 1.00 0.00 O ATOM 1445 NE2 GLN A 90 3.478 6.318 -22.988 1.00 0.00 N ATOM 0 H GLN A 90 4.836 5.599 -17.482 1.00 0.00 H new ATOM 0 HA GLN A 90 4.543 7.913 -18.963 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.984 5.253 -19.489 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.380 5.475 -20.159 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.504 7.542 -20.761 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.556 6.010 -21.611 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.949 5.414 -23.032 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.759 6.552 -23.672 1.00 0.00 H new ATOM 1454 N HIS A 91 1.678 6.468 -18.233 1.00 0.00 N ATOM 1455 CA HIS A 91 0.242 6.681 -18.171 1.00 0.00 C ATOM 1456 C HIS A 91 -0.405 5.577 -17.334 1.00 0.00 C ATOM 1457 O HIS A 91 0.013 4.422 -17.393 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.352 6.785 -19.577 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.883 5.479 -20.118 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -0.537 4.987 -21.364 1.00 0.00 N ATOM 1461 CD2 HIS A 91 -1.737 4.568 -19.567 1.00 0.00 C ATOM 1462 CE1 HIS A 91 -1.160 3.831 -21.546 1.00 0.00 C ATOM 1463 NE2 HIS A 91 -1.904 3.574 -20.432 1.00 0.00 N ATOM 0 H HIS A 91 1.996 5.583 -17.838 1.00 0.00 H new ATOM 0 HA HIS A 91 0.032 7.631 -17.679 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.160 7.517 -19.566 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.412 7.164 -20.256 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.198 4.643 -18.593 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.091 3.203 -22.422 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.492 2.753 -20.287 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.416 5.971 -16.573 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.125 5.030 -15.724 1.00 0.00 C ATOM 1473 C HIS A 92 -3.632 5.270 -15.838 1.00 0.00 C ATOM 1474 O HIS A 92 -4.128 6.325 -15.444 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.619 5.110 -14.282 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.362 4.214 -13.320 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -3.049 4.699 -12.221 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -2.517 2.858 -13.304 1.00 0.00 C ATOM 1479 CE1 HIS A 92 -3.589 3.674 -11.579 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -3.258 2.533 -12.252 1.00 0.00 N ATOM 0 H HIS A 92 -1.761 6.930 -16.527 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.928 4.012 -16.060 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.561 4.847 -14.264 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.698 6.141 -13.937 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.106 2.167 -14.025 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.186 3.731 -10.681 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.535 1.587 -11.990 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.318 4.275 -16.380 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.758 4.364 -16.550 1.00 0.00 C ATOM 1490 C LEU A 93 -6.358 2.957 -16.531 1.00 0.00 C ATOM 1491 O LEU A 93 -5.666 1.987 -16.223 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.100 5.162 -17.809 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.058 5.127 -18.929 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.693 4.711 -20.257 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.327 6.466 -19.039 1.00 0.00 C ATOM 0 H LEU A 93 -3.903 3.403 -16.707 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.206 4.912 -15.722 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.044 4.789 -18.206 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.263 6.201 -17.523 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.313 4.372 -18.678 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.930 4.694 -21.036 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.130 3.718 -20.156 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.472 5.424 -20.527 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.592 6.414 -19.842 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.046 7.256 -19.255 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.821 6.683 -18.098 1.00 0.00 H new ATOM 1507 N MET A 94 -7.638 2.889 -16.865 1.00 0.00 N ATOM 1508 CA MET A 94 -8.339 1.617 -16.890 1.00 0.00 C ATOM 1509 C MET A 94 -8.962 1.361 -18.264 1.00 0.00 C ATOM 1510 O MET A 94 -9.676 2.212 -18.795 1.00 0.00 O ATOM 1511 CB MET A 94 -9.436 1.616 -15.823 1.00 0.00 C ATOM 1512 CG MET A 94 -10.491 0.549 -16.122 1.00 0.00 C ATOM 1513 SD MET A 94 -11.188 -0.064 -14.598 1.00 0.00 S ATOM 1514 CE MET A 94 -10.067 -1.412 -14.265 1.00 0.00 C ATOM 0 H MET A 94 -8.208 3.695 -17.121 1.00 0.00 H new ATOM 0 HA MET A 94 -7.620 0.824 -16.684 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.995 1.432 -14.843 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.908 2.598 -15.781 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.278 0.969 -16.748 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.042 -0.271 -16.682 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.612 -2.355 -14.300 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.276 -1.421 -15.015 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.627 -1.284 -13.276 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.671 0.186 -18.801 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.194 -0.193 -20.102 1.00 0.00 C ATOM 1526 C VAL A 95 -9.875 -1.559 -19.996 1.00 0.00 C ATOM 1527 O VAL A 95 -9.339 -2.476 -19.375 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.075 -0.162 -21.145 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.483 -0.925 -22.409 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.677 1.277 -21.479 1.00 0.00 C ATOM 0 H VAL A 95 -8.079 -0.517 -18.358 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.948 0.521 -20.433 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.205 -0.660 -20.718 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.670 -0.888 -23.135 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.695 -1.963 -22.155 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.374 -0.467 -22.839 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.880 1.271 -22.223 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.540 1.810 -21.877 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.327 1.777 -20.576 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.044 -1.653 -20.610 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.803 -2.892 -20.592 1.00 0.00 C ATOM 1542 C ARG A 96 -11.874 -3.449 -19.170 1.00 0.00 C ATOM 1543 O ARG A 96 -11.797 -4.661 -18.970 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.170 -3.938 -21.512 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.466 -3.627 -22.981 1.00 0.00 C ATOM 1546 CD ARG A 96 -10.309 -4.072 -23.879 1.00 0.00 C ATOM 1547 NE ARG A 96 -10.588 -3.700 -25.284 1.00 0.00 N ATOM 1548 CZ ARG A 96 -9.780 -4.003 -26.322 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -8.634 -4.687 -26.121 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -10.127 -3.620 -27.537 1.00 0.00 N ATOM 0 H ARG A 96 -11.485 -0.891 -21.124 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.809 -2.671 -20.950 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.092 -3.964 -21.352 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.553 -4.927 -21.262 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.383 -4.132 -23.286 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.635 -2.557 -23.103 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.381 -3.606 -23.548 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.170 -5.150 -23.800 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.445 -3.182 -25.480 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.373 -4.979 -25.179 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.029 -4.912 -26.911 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.995 -3.103 -27.681 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.528 -3.841 -28.332 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.021 -2.540 -18.218 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.102 -2.926 -16.820 1.00 0.00 C ATOM 1565 C GLY A 97 -10.762 -3.470 -16.322 1.00 0.00 C ATOM 1566 O GLY A 97 -10.719 -4.260 -15.380 1.00 0.00 O ATOM 0 H GLY A 97 -12.086 -1.536 -18.388 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.395 -2.066 -16.218 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.876 -3.683 -16.693 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.700 -3.026 -16.977 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.360 -3.459 -16.613 1.00 0.00 C ATOM 1572 C VAL A 98 -7.455 -2.234 -16.470 1.00 0.00 C ATOM 1573 O VAL A 98 -7.411 -1.384 -17.358 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.841 -4.471 -17.635 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.318 -4.394 -17.758 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.292 -5.889 -17.282 1.00 0.00 C ATOM 0 H VAL A 98 -9.739 -2.371 -17.758 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.371 -3.969 -15.650 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.269 -4.216 -18.605 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.975 -5.124 -18.491 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.029 -3.393 -18.080 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.864 -4.610 -16.791 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.909 -6.588 -18.025 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.908 -6.159 -16.298 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.381 -5.932 -17.271 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.754 -2.184 -15.346 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.852 -1.078 -15.077 1.00 0.00 C ATOM 1588 C GLN A 99 -4.517 -1.295 -15.794 1.00 0.00 C ATOM 1589 O GLN A 99 -3.780 -2.226 -15.473 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.642 -0.895 -13.572 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.763 -0.053 -12.961 1.00 0.00 C ATOM 1592 CD GLN A 99 -6.644 -0.005 -11.436 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -5.673 0.479 -10.879 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -7.683 -0.533 -10.795 1.00 0.00 N ATOM 0 H GLN A 99 -6.793 -2.891 -14.612 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.305 -0.164 -15.461 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.607 -1.869 -13.085 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.681 -0.414 -13.391 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.724 0.959 -13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.730 -0.471 -13.241 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.464 -0.922 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.699 -0.549 -9.775 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.247 -0.420 -16.752 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.015 -0.504 -17.517 1.00 0.00 C ATOM 1605 C GLU A 100 -2.057 0.615 -17.104 1.00 0.00 C ATOM 1606 O GLU A 100 -2.261 1.774 -17.464 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.298 -0.460 -19.020 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.995 -0.431 -19.821 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.271 -0.572 -21.320 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.927 -1.535 -21.742 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -1.778 0.366 -22.056 1.00 0.00 O ATOM 0 H GLU A 100 -4.861 0.351 -17.016 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.539 -1.460 -17.300 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.887 -1.330 -19.309 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.894 0.421 -19.256 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.467 0.504 -19.631 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.342 -1.239 -19.490 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.034 0.230 -16.357 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.045 1.188 -15.892 1.00 0.00 C ATOM 1621 C LEU A 101 1.214 1.074 -16.754 1.00 0.00 C ATOM 1622 O LEU A 101 1.821 0.007 -16.835 1.00 0.00 O ATOM 1623 CB LEU A 101 0.217 1.005 -14.395 1.00 0.00 C ATOM 1624 CG LEU A 101 0.587 2.270 -13.620 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.602 2.005 -12.112 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.914 2.848 -14.113 1.00 0.00 C ATOM 0 H LEU A 101 -0.868 -0.732 -16.062 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.419 2.206 -16.005 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.674 0.572 -13.941 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.021 0.280 -14.273 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.180 3.021 -13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.868 2.921 -11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.386 1.675 -11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.335 1.230 -11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.153 3.747 -13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.705 2.111 -13.976 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.831 3.099 -15.171 1.00 0.00 H new ATOM 1638 N LEU A 102 1.568 2.188 -17.378 1.00 0.00 N ATOM 1639 CA LEU A 102 2.743 2.226 -18.232 1.00 0.00 C ATOM 1640 C LEU A 102 3.924 2.795 -17.443 1.00 0.00 C ATOM 1641 O LEU A 102 3.847 3.906 -16.921 1.00 0.00 O ATOM 1642 CB LEU A 102 2.441 2.989 -19.523 1.00 0.00 C ATOM 1643 CG LEU A 102 1.196 2.541 -20.293 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.376 2.750 -21.797 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.834 1.093 -19.953 1.00 0.00 C ATOM 0 H LEU A 102 1.062 3.071 -17.309 1.00 0.00 H new ATOM 0 HA LEU A 102 3.022 1.219 -18.541 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.332 4.046 -19.280 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.303 2.901 -20.184 1.00 0.00 H new ATOM 0 HG LEU A 102 0.358 3.164 -19.981 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.477 2.424 -22.320 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.550 3.807 -21.999 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.230 2.169 -22.146 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.054 0.799 -20.513 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.664 0.438 -20.219 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.634 1.009 -18.885 1.00 0.00 H new ATOM 1657 N LEU A 103 4.988 2.009 -17.382 1.00 0.00 N ATOM 1658 CA LEU A 103 6.183 2.420 -16.665 1.00 0.00 C ATOM 1659 C LEU A 103 7.324 2.628 -17.663 1.00 0.00 C ATOM 1660 O LEU A 103 7.599 1.758 -18.488 1.00 0.00 O ATOM 1661 CB LEU A 103 6.512 1.421 -15.554 1.00 0.00 C ATOM 1662 CG LEU A 103 5.652 1.515 -14.293 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.607 0.173 -13.560 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.130 2.648 -13.384 1.00 0.00 C ATOM 0 H LEU A 103 5.048 1.089 -17.818 1.00 0.00 H new ATOM 0 HA LEU A 103 6.018 3.374 -16.165 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.419 0.413 -15.959 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.556 1.555 -15.269 1.00 0.00 H new ATOM 0 HG LEU A 103 4.632 1.754 -14.593 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.989 0.267 -12.667 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.183 -0.586 -14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.617 -0.119 -13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.500 2.692 -12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.163 2.466 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.067 3.595 -13.920 1.00 0.00 H new ATOM 1676 N LYS A 104 7.959 3.785 -17.556 1.00 0.00 N ATOM 1677 CA LYS A 104 9.064 4.119 -18.439 1.00 0.00 C ATOM 1678 C LYS A 104 10.340 4.284 -17.612 1.00 0.00 C ATOM 1679 O LYS A 104 10.369 5.058 -16.656 1.00 0.00 O ATOM 1680 CB LYS A 104 8.718 5.343 -19.289 1.00 0.00 C ATOM 1681 CG LYS A 104 9.619 5.426 -20.522 1.00 0.00 C ATOM 1682 CD LYS A 104 9.175 4.427 -21.593 1.00 0.00 C ATOM 1683 CE LYS A 104 7.827 4.830 -22.195 1.00 0.00 C ATOM 1684 NZ LYS A 104 7.877 6.225 -22.688 1.00 0.00 N ATOM 0 H LYS A 104 7.729 4.504 -16.870 1.00 0.00 H new ATOM 0 HA LYS A 104 9.246 3.310 -19.146 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.674 5.291 -19.599 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.829 6.248 -18.692 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.593 6.437 -20.929 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.651 5.224 -20.237 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.927 4.374 -22.380 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.099 3.431 -21.157 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.572 4.157 -23.014 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.043 4.731 -21.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.134 6.368 -23.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.726 6.879 -21.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.807 6.409 -23.116 1.00 0.00 H new ATOM 1697 N LEU A 105 11.365 3.544 -18.011 1.00 0.00 N ATOM 1698 CA LEU A 105 12.641 3.598 -17.319 1.00 0.00 C ATOM 1699 C LEU A 105 13.649 4.367 -18.177 1.00 0.00 C ATOM 1700 O LEU A 105 13.971 3.949 -19.287 1.00 0.00 O ATOM 1701 CB LEU A 105 13.105 2.191 -16.938 1.00 0.00 C ATOM 1702 CG LEU A 105 14.351 2.111 -16.054 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.139 2.863 -14.739 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.767 0.658 -15.823 1.00 0.00 C ATOM 0 H LEU A 105 11.337 2.904 -18.805 1.00 0.00 H new ATOM 0 HA LEU A 105 12.542 4.141 -16.379 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.287 1.687 -16.424 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.298 1.633 -17.854 1.00 0.00 H new ATOM 0 HG LEU A 105 15.173 2.601 -16.576 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.040 2.791 -14.129 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.927 3.911 -14.949 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.300 2.424 -14.200 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.655 0.630 -15.192 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.956 0.121 -15.332 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.987 0.186 -16.780 1.00 0.00 H new ATOM 1716 N LEU A 106 14.118 5.479 -17.628 1.00 0.00 N ATOM 1717 CA LEU A 106 15.082 6.309 -18.328 1.00 0.00 C ATOM 1718 C LEU A 106 16.453 5.631 -18.295 1.00 0.00 C ATOM 1719 O LEU A 106 16.812 4.996 -17.304 1.00 0.00 O ATOM 1720 CB LEU A 106 15.085 7.728 -17.755 1.00 0.00 C ATOM 1721 CG LEU A 106 13.861 8.585 -18.085 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.754 8.833 -19.590 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.585 7.963 -17.514 1.00 0.00 C ATOM 0 H LEU A 106 13.848 5.823 -16.707 1.00 0.00 H new ATOM 0 HA LEU A 106 14.802 6.414 -19.376 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.176 7.661 -16.671 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.974 8.244 -18.118 1.00 0.00 H new ATOM 0 HG LEU A 106 13.987 9.557 -17.607 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.876 9.444 -19.796 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.647 9.352 -19.938 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.663 7.880 -20.110 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.731 8.592 -17.763 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.441 6.970 -17.941 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.673 7.883 -16.431 1.00 0.00 H new ATOM 1735 N PRO A 107 17.202 5.790 -19.419 1.00 0.00 N ATOM 1736 CA PRO A 107 18.525 5.201 -19.526 1.00 0.00 C ATOM 1737 C PRO A 107 19.543 5.985 -18.695 1.00 0.00 C ATOM 1738 O PRO A 107 19.318 7.148 -18.366 1.00 0.00 O ATOM 1739 CB PRO A 107 18.841 5.211 -21.014 1.00 0.00 C ATOM 1740 CG PRO A 107 17.889 6.221 -21.635 1.00 0.00 C ATOM 1741 CD PRO A 107 16.809 6.534 -20.612 1.00 0.00 C ATOM 0 HA PRO A 107 18.567 4.187 -19.129 1.00 0.00 H new ATOM 0 HB2 PRO A 107 19.879 5.492 -21.191 1.00 0.00 H new ATOM 0 HB3 PRO A 107 18.700 4.222 -21.450 1.00 0.00 H new ATOM 0 HG2 PRO A 107 18.424 7.128 -21.915 1.00 0.00 H new ATOM 0 HG3 PRO A 107 17.447 5.818 -22.546 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.752 7.604 -20.411 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.826 6.224 -20.966 1.00 0.00 H new ATOM 1749 N ASP A 108 20.642 5.315 -18.380 1.00 0.00 N ATOM 1750 CA ASP A 108 21.696 5.933 -17.592 1.00 0.00 C ATOM 1751 C ASP A 108 22.989 5.959 -18.409 1.00 0.00 C ATOM 1752 O ASP A 108 23.803 5.040 -18.320 1.00 0.00 O ATOM 1753 CB ASP A 108 21.962 5.143 -16.310 1.00 0.00 C ATOM 1754 CG ASP A 108 22.416 5.982 -15.115 1.00 0.00 C ATOM 1755 OD1 ASP A 108 21.656 6.808 -14.588 1.00 0.00 O ATOM 1756 OD2 ASP A 108 23.623 5.760 -14.720 1.00 0.00 O ATOM 0 H ASP A 108 20.826 4.350 -18.656 1.00 0.00 H new ATOM 0 HA ASP A 108 21.375 6.942 -17.333 1.00 0.00 H new ATOM 0 HB2 ASP A 108 21.052 4.609 -16.035 1.00 0.00 H new ATOM 0 HB3 ASP A 108 22.723 4.391 -16.516 1.00 0.00 H new ATOM 1762 N ASP A 109 23.139 7.020 -19.188 1.00 0.00 N ATOM 1763 CA ASP A 109 24.319 7.176 -20.020 1.00 0.00 C ATOM 1764 C ASP A 109 24.386 6.025 -21.026 1.00 0.00 C ATOM 1765 O ASP A 109 24.813 4.923 -20.686 1.00 0.00 O ATOM 1766 CB ASP A 109 25.596 7.141 -19.178 1.00 0.00 C ATOM 1767 CG ASP A 109 26.893 7.362 -19.960 1.00 0.00 C ATOM 1768 OD1 ASP A 109 27.506 6.408 -20.462 1.00 0.00 O ATOM 1769 OD2 ASP A 109 27.277 8.590 -20.044 1.00 0.00 O ATOM 0 H ASP A 109 22.463 7.780 -19.260 1.00 0.00 H new ATOM 0 HA ASP A 109 24.247 8.138 -20.528 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.523 7.903 -18.402 1.00 0.00 H new ATOM 0 HB3 ASP A 109 25.654 6.177 -18.673 1.00 0.00 H new ATOM 1775 N ARG A 110 23.957 6.321 -22.244 1.00 0.00 N ATOM 1776 CA ARG A 110 23.962 5.324 -23.302 1.00 0.00 C ATOM 1777 C ARG A 110 24.713 5.854 -24.526 1.00 0.00 C ATOM 1778 O ARG A 110 24.675 7.048 -24.813 1.00 0.00 O ATOM 1779 CB ARG A 110 22.537 4.946 -23.710 1.00 0.00 C ATOM 1780 CG ARG A 110 21.882 6.069 -24.519 1.00 0.00 C ATOM 1781 CD ARG A 110 20.366 6.079 -24.316 1.00 0.00 C ATOM 1782 NE ARG A 110 19.705 5.321 -25.402 1.00 0.00 N ATOM 1783 CZ ARG A 110 19.470 3.993 -25.365 1.00 0.00 C ATOM 1784 NH1 ARG A 110 19.840 3.261 -24.292 1.00 0.00 N ATOM 1785 NH2 ARG A 110 18.872 3.418 -26.392 1.00 0.00 N ATOM 0 H ARG A 110 23.604 7.237 -22.522 1.00 0.00 H new ATOM 0 HA ARG A 110 24.465 4.436 -22.919 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.555 4.030 -24.301 1.00 0.00 H new ATOM 0 HB3 ARG A 110 21.943 4.740 -22.820 1.00 0.00 H new ATOM 0 HG2 ARG A 110 22.299 7.030 -24.218 1.00 0.00 H new ATOM 0 HG3 ARG A 110 22.110 5.940 -25.577 1.00 0.00 H new ATOM 0 HD2 ARG A 110 20.117 5.639 -23.350 1.00 0.00 H new ATOM 0 HD3 ARG A 110 19.999 7.105 -24.302 1.00 0.00 H new ATOM 0 HE ARG A 110 19.408 5.835 -26.231 1.00 0.00 H new ATOM 0 HH11 ARG A 110 20.301 3.712 -23.502 1.00 0.00 H new ATOM 0 HH12 ARG A 110 19.659 2.257 -24.272 1.00 0.00 H new ATOM 0 HH21 ARG A 110 18.594 3.977 -27.199 1.00 0.00 H new ATOM 0 HH22 ARG A 110 18.688 2.415 -26.379 1.00 0.00 H new ATOM 1798 N SER A 111 25.377 4.937 -25.215 1.00 0.00 N ATOM 1799 CA SER A 111 26.135 5.296 -26.401 1.00 0.00 C ATOM 1800 C SER A 111 27.240 6.287 -26.037 1.00 0.00 C ATOM 1801 O SER A 111 26.983 7.298 -25.385 1.00 0.00 O ATOM 1802 CB SER A 111 25.223 5.890 -27.478 1.00 0.00 C ATOM 1803 OG SER A 111 25.290 5.156 -28.697 1.00 0.00 O ATOM 0 H SER A 111 25.405 3.946 -24.974 1.00 0.00 H new ATOM 0 HA SER A 111 26.588 4.390 -26.804 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.195 5.900 -27.117 1.00 0.00 H new ATOM 0 HB3 SER A 111 25.507 6.926 -27.662 1.00 0.00 H new ATOM 0 HG SER A 111 24.693 5.565 -29.358 1.00 0.00 H new ATOM 1809 N PRO A 112 28.481 5.955 -26.484 1.00 0.00 N ATOM 1810 CA PRO A 112 29.627 6.805 -26.211 1.00 0.00 C ATOM 1811 C PRO A 112 29.606 8.055 -27.094 1.00 0.00 C ATOM 1812 O PRO A 112 30.378 8.160 -28.046 1.00 0.00 O ATOM 1813 CB PRO A 112 30.840 5.923 -26.461 1.00 0.00 C ATOM 1814 CG PRO A 112 30.343 4.762 -27.307 1.00 0.00 C ATOM 1815 CD PRO A 112 28.824 4.766 -27.258 1.00 0.00 C ATOM 0 HA PRO A 112 29.632 7.188 -25.190 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.625 6.475 -26.978 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.265 5.568 -25.522 1.00 0.00 H new ATOM 0 HG2 PRO A 112 30.692 4.862 -28.335 1.00 0.00 H new ATOM 0 HG3 PRO A 112 30.735 3.818 -26.928 1.00 0.00 H new ATOM 0 HD2 PRO A 112 28.396 4.808 -28.259 1.00 0.00 H new ATOM 0 HD3 PRO A 112 28.441 3.862 -26.785 1.00 0.00 H new ATOM 1823 N GLY A 113 28.713 8.970 -26.747 1.00 0.00 N ATOM 1824 CA GLY A 113 28.581 10.208 -27.496 1.00 0.00 C ATOM 1825 C GLY A 113 28.252 9.928 -28.965 1.00 0.00 C ATOM 1826 O GLY A 113 29.118 9.499 -29.726 1.00 0.00 O ATOM 0 H GLY A 113 28.074 8.879 -25.957 1.00 0.00 H new ATOM 0 HA2 GLY A 113 27.796 10.822 -27.055 1.00 0.00 H new ATOM 0 HA3 GLY A 113 29.508 10.778 -27.429 1.00 0.00 H new ATOM 1830 N ILE A 114 27.001 10.183 -29.316 1.00 0.00 N ATOM 1831 CA ILE A 114 26.548 9.964 -30.680 1.00 0.00 C ATOM 1832 C ILE A 114 26.342 11.316 -31.367 1.00 0.00 C ATOM 1833 O ILE A 114 25.593 12.158 -30.874 1.00 0.00 O ATOM 1834 CB ILE A 114 25.306 9.070 -30.695 1.00 0.00 C ATOM 1835 CG1 ILE A 114 25.087 8.461 -32.081 1.00 0.00 C ATOM 1836 CG2 ILE A 114 24.075 9.835 -30.203 1.00 0.00 C ATOM 1837 CD1 ILE A 114 24.968 6.938 -31.996 1.00 0.00 C ATOM 0 H ILE A 114 26.287 10.539 -28.681 1.00 0.00 H new ATOM 0 HA ILE A 114 27.305 9.427 -31.252 1.00 0.00 H new ATOM 0 HB ILE A 114 25.470 8.244 -30.003 1.00 0.00 H new ATOM 0 HG12 ILE A 114 24.183 8.876 -32.526 1.00 0.00 H new ATOM 0 HG13 ILE A 114 25.916 8.729 -32.735 1.00 0.00 H new ATOM 0 HG21 ILE A 114 23.206 9.177 -30.223 1.00 0.00 H new ATOM 0 HG22 ILE A 114 24.245 10.180 -29.183 1.00 0.00 H new ATOM 0 HG23 ILE A 114 23.896 10.693 -30.852 1.00 0.00 H new ATOM 0 HD11 ILE A 114 24.813 6.529 -32.994 1.00 0.00 H new ATOM 0 HD12 ILE A 114 25.883 6.525 -31.573 1.00 0.00 H new ATOM 0 HD13 ILE A 114 24.123 6.674 -31.360 1.00 0.00 H new ATOM 1849 N HIS A 115 27.020 11.480 -32.493 1.00 0.00 N ATOM 1850 CA HIS A 115 26.919 12.715 -33.253 1.00 0.00 C ATOM 1851 C HIS A 115 26.761 12.390 -34.740 1.00 0.00 C ATOM 1852 O HIS A 115 27.749 12.229 -35.453 1.00 0.00 O ATOM 1853 CB HIS A 115 28.115 13.626 -32.970 1.00 0.00 C ATOM 1854 CG HIS A 115 27.903 14.576 -31.816 1.00 0.00 C ATOM 1855 ND1 HIS A 115 28.537 14.426 -30.594 1.00 0.00 N ATOM 1856 CD2 HIS A 115 27.124 15.690 -31.710 1.00 0.00 C ATOM 1857 CE1 HIS A 115 28.147 15.410 -29.797 1.00 0.00 C ATOM 1858 NE2 HIS A 115 27.272 16.192 -30.490 1.00 0.00 N ATOM 0 H HIS A 115 27.641 10.779 -32.898 1.00 0.00 H new ATOM 0 HA HIS A 115 26.033 13.268 -32.940 1.00 0.00 H new ATOM 0 HB2 HIS A 115 28.989 13.008 -32.763 1.00 0.00 H new ATOM 0 HB3 HIS A 115 28.339 14.204 -33.867 1.00 0.00 H new ATOM 0 HD2 HIS A 115 26.493 16.095 -32.487 1.00 0.00 H new ATOM 0 HE1 HIS A 115 28.466 15.565 -28.777 1.00 0.00 H new ATOM 0 HE2 HIS A 115 26.807 17.026 -30.130 1.00 0.00 H new ATOM 1866 N ARG A 116 25.508 12.306 -35.163 1.00 0.00 N ATOM 1867 CA ARG A 116 25.207 12.003 -36.552 1.00 0.00 C ATOM 1868 C ARG A 116 23.715 12.204 -36.827 1.00 0.00 C ATOM 1869 O ARG A 116 22.887 12.044 -35.932 1.00 0.00 O ATOM 1870 CB ARG A 116 25.593 10.564 -36.898 1.00 0.00 C ATOM 1871 CG ARG A 116 24.751 9.564 -36.104 1.00 0.00 C ATOM 1872 CD ARG A 116 25.304 8.145 -36.246 1.00 0.00 C ATOM 1873 NE ARG A 116 24.317 7.282 -36.930 1.00 0.00 N ATOM 1874 CZ ARG A 116 24.343 5.932 -36.902 1.00 0.00 C ATOM 1875 NH1 ARG A 116 25.310 5.279 -36.222 1.00 0.00 N ATOM 1876 NH2 ARG A 116 23.410 5.260 -37.549 1.00 0.00 N ATOM 0 H ARG A 116 24.690 12.442 -34.569 1.00 0.00 H new ATOM 0 HA ARG A 116 25.790 12.683 -37.174 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.455 10.394 -37.966 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.650 10.406 -36.684 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.738 9.849 -35.052 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.719 9.593 -36.455 1.00 0.00 H new ATOM 0 HD2 ARG A 116 26.236 8.164 -36.811 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.536 7.737 -35.262 1.00 0.00 H new ATOM 0 HE ARG A 116 23.570 7.735 -37.456 1.00 0.00 H new ATOM 0 HH11 ARG A 116 26.028 5.806 -35.724 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.322 4.259 -36.206 1.00 0.00 H new ATOM 0 HH21 ARG A 116 22.683 5.760 -38.061 1.00 0.00 H new ATOM 0 HH22 ARG A 116 23.416 4.240 -37.538 1.00 0.00 H new ATOM 1889 N ASP A 117 23.417 12.553 -38.070 1.00 0.00 N ATOM 1890 CA ASP A 117 22.039 12.778 -38.475 1.00 0.00 C ATOM 1891 C ASP A 117 21.156 11.670 -37.900 1.00 0.00 C ATOM 1892 O ASP A 117 21.296 10.505 -38.270 1.00 0.00 O ATOM 1893 CB ASP A 117 21.901 12.751 -39.998 1.00 0.00 C ATOM 1894 CG ASP A 117 22.499 11.518 -40.680 1.00 0.00 C ATOM 1895 OD1 ASP A 117 21.773 10.606 -41.101 1.00 0.00 O ATOM 1896 OD2 ASP A 117 23.786 11.517 -40.771 1.00 0.00 O ATOM 0 H ASP A 117 24.106 12.686 -38.810 1.00 0.00 H new ATOM 0 HA ASP A 117 21.734 13.756 -38.103 1.00 0.00 H new ATOM 0 HB2 ASP A 117 20.843 12.811 -40.253 1.00 0.00 H new ATOM 0 HB3 ASP A 117 22.379 13.641 -40.407 1.00 0.00 H new TER 1902 ASP A 117