USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=21 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 94 MET CE :methyl 143:sc= -4.95! (180deg=-6.64!) USER MOD Set 1.2: A 99 GLN : amide:sc= -3.39! C(o=-8.3!,f=-8!) USER MOD Set 2.1: A 90 GLN : amide:sc= -0.241 X(o=-0.82,f=-0.96) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -119:sc= -0.578 (180deg=-0.919) USER MOD Set 3.1: A 60 SER OG : rot 180:sc= 0.132 USER MOD Set 3.2: A 64 THR OG1 : rot 112:sc= 0.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -14.8! C(o=-15!,f=-21!) USER MOD Single : A 18 HIS : no HE2:sc= -9.1! C(o=-9.1!,f=-12!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 23 TYR OH : rot -4:sc= -0.467 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00569 X(o=-0.0057,f=0) USER MOD Single : A 30 THR OG1 : rot 91:sc= 1.04 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -7.07! C(o=-7.1!,f=-10!) USER MOD Single : A 48 GLN : amide:sc= -13.5! C(o=-14!,f=-14!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -4.4 X(o=-4.4,f=-4.6) USER MOD Single : A 65 SER OG : rot -43:sc= 0.683 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 70 MET CE :methyl 179:sc= -0.369 (180deg=-0.377) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0219 F(o=-0.77,f=-0.022) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -142:sc= -1.56 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00454 X(o=-0.0045,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.165 K(o=-0.16,f=-2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0715 K(o=-0.071,f=-1.1) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -14! C(o=-18!,f=-14!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -5.39! C(o=-9.2!,f=-5.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS :FLIP no HD1:sc= -0.8 F(o=-2.1!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.322 13.301 -14.943 1.00 0.00 N ATOM 2 CA GLY A 1 -29.596 12.628 -16.006 1.00 0.00 C ATOM 3 C GLY A 1 -28.170 13.170 -16.125 1.00 0.00 C ATOM 4 O GLY A 1 -27.972 14.356 -16.385 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.286 12.915 -14.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.832 13.150 -14.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.369 14.320 -15.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.566 11.556 -15.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.120 12.764 -16.952 1.00 0.00 H new ATOM 8 N SER A 2 -27.212 12.276 -15.928 1.00 0.00 N ATOM 9 CA SER A 2 -25.811 12.649 -16.009 1.00 0.00 C ATOM 10 C SER A 2 -25.022 11.566 -16.745 1.00 0.00 C ATOM 11 O SER A 2 -24.464 11.816 -17.813 1.00 0.00 O ATOM 12 CB SER A 2 -25.221 12.882 -14.617 1.00 0.00 C ATOM 13 OG SER A 2 -25.536 11.820 -13.720 1.00 0.00 O ATOM 0 H SER A 2 -27.379 11.293 -15.712 1.00 0.00 H new ATOM 0 HA SER A 2 -25.739 13.583 -16.566 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.138 12.983 -14.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.601 13.821 -14.215 1.00 0.00 H new ATOM 0 HG SER A 2 -25.140 12.005 -12.843 1.00 0.00 H new ATOM 19 N MET A 3 -25.000 10.385 -16.146 1.00 0.00 N ATOM 20 CA MET A 3 -24.287 9.260 -16.731 1.00 0.00 C ATOM 21 C MET A 3 -22.774 9.462 -16.634 1.00 0.00 C ATOM 22 O MET A 3 -22.130 9.838 -17.612 1.00 0.00 O ATOM 23 CB MET A 3 -24.690 9.110 -18.199 1.00 0.00 C ATOM 24 CG MET A 3 -24.805 7.635 -18.587 1.00 0.00 C ATOM 25 SD MET A 3 -25.605 7.482 -20.174 1.00 0.00 S ATOM 26 CE MET A 3 -27.093 6.623 -19.689 1.00 0.00 C ATOM 0 H MET A 3 -25.464 10.181 -15.261 1.00 0.00 H new ATOM 0 HA MET A 3 -24.550 8.358 -16.179 1.00 0.00 H new ATOM 0 HB2 MET A 3 -25.643 9.611 -18.371 1.00 0.00 H new ATOM 0 HB3 MET A 3 -23.953 9.601 -18.834 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.814 7.182 -18.625 1.00 0.00 H new ATOM 0 HG3 MET A 3 -25.374 7.095 -17.830 1.00 0.00 H new ATOM 0 HE1 MET A 3 -27.713 6.445 -20.567 1.00 0.00 H new ATOM 0 HE2 MET A 3 -26.830 5.669 -19.232 1.00 0.00 H new ATOM 0 HE3 MET A 3 -27.646 7.229 -18.971 1.00 0.00 H new ATOM 36 N ALA A 4 -22.249 9.200 -15.445 1.00 0.00 N ATOM 37 CA ALA A 4 -20.823 9.346 -15.209 1.00 0.00 C ATOM 38 C ALA A 4 -20.077 8.197 -15.891 1.00 0.00 C ATOM 39 O ALA A 4 -20.642 7.126 -16.105 1.00 0.00 O ATOM 40 CB ALA A 4 -20.558 9.400 -13.702 1.00 0.00 C ATOM 0 H ALA A 4 -22.786 8.888 -14.636 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.456 10.278 -15.639 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.488 9.510 -13.524 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.086 10.250 -13.270 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.910 8.479 -13.237 1.00 0.00 H new ATOM 46 N GLY A 5 -18.820 8.461 -16.215 1.00 0.00 N ATOM 47 CA GLY A 5 -17.990 7.462 -16.868 1.00 0.00 C ATOM 48 C GLY A 5 -17.332 6.538 -15.841 1.00 0.00 C ATOM 49 O GLY A 5 -17.988 6.069 -14.913 1.00 0.00 O ATOM 0 H GLY A 5 -18.356 9.352 -16.038 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.597 6.873 -17.556 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.222 7.955 -17.463 1.00 0.00 H new ATOM 53 N GLU A 6 -16.043 6.306 -16.043 1.00 0.00 N ATOM 54 CA GLU A 6 -15.289 5.447 -15.147 1.00 0.00 C ATOM 55 C GLU A 6 -13.795 5.761 -15.243 1.00 0.00 C ATOM 56 O GLU A 6 -13.271 5.977 -16.335 1.00 0.00 O ATOM 57 CB GLU A 6 -15.560 3.971 -15.445 1.00 0.00 C ATOM 58 CG GLU A 6 -14.741 3.066 -14.522 1.00 0.00 C ATOM 59 CD GLU A 6 -15.626 1.999 -13.874 1.00 0.00 C ATOM 60 OE1 GLU A 6 -16.856 2.150 -13.840 1.00 0.00 O ATOM 61 OE2 GLU A 6 -14.992 0.982 -13.397 1.00 0.00 O ATOM 0 H GLU A 6 -15.502 6.698 -16.814 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.616 5.643 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.622 3.760 -15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.313 3.755 -16.485 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.944 2.586 -15.090 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.263 3.667 -13.748 1.00 0.00 H new ATOM 69 N ASP A 7 -13.149 5.774 -14.086 1.00 0.00 N ATOM 70 CA ASP A 7 -11.725 6.057 -14.027 1.00 0.00 C ATOM 71 C ASP A 7 -11.106 5.294 -12.854 1.00 0.00 C ATOM 72 O ASP A 7 -11.797 4.960 -11.892 1.00 0.00 O ATOM 73 CB ASP A 7 -11.469 7.549 -13.807 1.00 0.00 C ATOM 74 CG ASP A 7 -12.394 8.486 -14.588 1.00 0.00 C ATOM 75 OD1 ASP A 7 -12.236 8.669 -15.804 1.00 0.00 O ATOM 76 OD2 ASP A 7 -13.320 9.047 -13.888 1.00 0.00 O ATOM 0 H ASP A 7 -13.586 5.593 -13.182 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.281 5.750 -14.974 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.570 7.767 -12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.437 7.770 -14.081 1.00 0.00 H new ATOM 82 N VAL A 8 -9.811 5.039 -12.972 1.00 0.00 N ATOM 83 CA VAL A 8 -9.092 4.321 -11.934 1.00 0.00 C ATOM 84 C VAL A 8 -9.300 5.028 -10.593 1.00 0.00 C ATOM 85 O VAL A 8 -9.930 6.082 -10.534 1.00 0.00 O ATOM 86 CB VAL A 8 -7.617 4.187 -12.318 1.00 0.00 C ATOM 87 CG1 VAL A 8 -6.934 3.090 -11.497 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.460 3.928 -13.817 1.00 0.00 C ATOM 0 H VAL A 8 -9.241 5.317 -13.771 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.480 3.308 -11.830 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.125 5.133 -12.089 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.887 3.015 -11.790 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.998 3.336 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.430 2.137 -11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.402 3.837 -14.062 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.974 3.004 -14.083 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.892 4.758 -14.377 1.00 0.00 H new ATOM 98 N GLY A 9 -8.759 4.417 -9.549 1.00 0.00 N ATOM 99 CA GLY A 9 -8.878 4.973 -8.212 1.00 0.00 C ATOM 100 C GLY A 9 -7.500 5.193 -7.585 1.00 0.00 C ATOM 101 O GLY A 9 -7.138 6.322 -7.256 1.00 0.00 O ATOM 0 H GLY A 9 -8.237 3.542 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.417 5.919 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.463 4.300 -7.585 1.00 0.00 H new ATOM 105 N ALA A 10 -6.770 4.098 -7.437 1.00 0.00 N ATOM 106 CA ALA A 10 -5.440 4.158 -6.855 1.00 0.00 C ATOM 107 C ALA A 10 -4.566 3.069 -7.481 1.00 0.00 C ATOM 108 O ALA A 10 -4.960 1.906 -7.535 1.00 0.00 O ATOM 109 CB ALA A 10 -5.541 4.023 -5.335 1.00 0.00 C ATOM 0 H ALA A 10 -7.074 3.164 -7.710 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.971 5.119 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.543 4.068 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.148 4.836 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.004 3.068 -5.084 1.00 0.00 H new ATOM 115 N PRO A 11 -3.363 3.497 -7.949 1.00 0.00 N ATOM 116 CA PRO A 11 -2.429 2.572 -8.568 1.00 0.00 C ATOM 117 C PRO A 11 -1.746 1.696 -7.516 1.00 0.00 C ATOM 118 O PRO A 11 -1.940 1.893 -6.318 1.00 0.00 O ATOM 119 CB PRO A 11 -1.453 3.451 -9.332 1.00 0.00 C ATOM 120 CG PRO A 11 -1.593 4.844 -8.739 1.00 0.00 C ATOM 121 CD PRO A 11 -2.861 4.868 -7.901 1.00 0.00 C ATOM 0 HA PRO A 11 -2.919 1.866 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.432 3.083 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.683 3.455 -10.397 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.725 5.087 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.644 5.592 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.653 5.178 -6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.590 5.571 -8.305 1.00 0.00 H new ATOM 129 N PRO A 12 -0.940 0.720 -8.016 1.00 0.00 N ATOM 130 CA PRO A 12 -0.229 -0.189 -7.132 1.00 0.00 C ATOM 131 C PRO A 12 0.964 0.509 -6.474 1.00 0.00 C ATOM 132 O PRO A 12 2.071 0.489 -7.009 1.00 0.00 O ATOM 133 CB PRO A 12 0.178 -1.357 -8.015 1.00 0.00 C ATOM 134 CG PRO A 12 0.090 -0.849 -9.445 1.00 0.00 C ATOM 135 CD PRO A 12 -0.686 0.457 -9.429 1.00 0.00 C ATOM 0 HA PRO A 12 -0.842 -0.532 -6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.189 -1.690 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.482 -2.211 -7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.087 -0.695 -9.857 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.408 -1.581 -10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.112 1.264 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.617 0.371 -9.989 1.00 0.00 H new ATOM 143 N ASP A 13 0.696 1.107 -5.323 1.00 0.00 N ATOM 144 CA ASP A 13 1.734 1.810 -4.586 1.00 0.00 C ATOM 145 C ASP A 13 3.023 0.987 -4.621 1.00 0.00 C ATOM 146 O ASP A 13 4.119 1.543 -4.575 1.00 0.00 O ATOM 147 CB ASP A 13 1.335 2.002 -3.122 1.00 0.00 C ATOM 148 CG ASP A 13 2.244 2.938 -2.322 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.847 2.536 -1.316 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.323 4.143 -2.776 1.00 0.00 O ATOM 0 H ASP A 13 -0.224 1.120 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 13 1.878 2.785 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.317 2.390 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.322 1.028 -2.634 1.00 0.00 H new ATOM 156 N HIS A 14 2.849 -0.324 -4.702 1.00 0.00 N ATOM 157 CA HIS A 14 3.986 -1.228 -4.741 1.00 0.00 C ATOM 158 C HIS A 14 3.636 -2.455 -5.585 1.00 0.00 C ATOM 159 O HIS A 14 2.476 -2.863 -5.643 1.00 0.00 O ATOM 160 CB HIS A 14 4.440 -1.592 -3.327 1.00 0.00 C ATOM 161 CG HIS A 14 3.792 -2.838 -2.774 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.191 -2.882 -1.528 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.657 -4.085 -3.311 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.719 -4.104 -1.333 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.009 -4.849 -2.439 1.00 0.00 N ATOM 0 H HIS A 14 1.938 -0.782 -4.742 1.00 0.00 H new ATOM 0 HA HIS A 14 4.833 -0.732 -5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.522 -1.727 -3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.224 -0.757 -2.661 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.016 -4.398 -4.280 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.197 -4.450 -0.453 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.768 -5.831 -2.574 1.00 0.00 H new ATOM 173 N LEU A 15 4.659 -3.011 -6.217 1.00 0.00 N ATOM 174 CA LEU A 15 4.474 -4.183 -7.055 1.00 0.00 C ATOM 175 C LEU A 15 5.518 -5.239 -6.684 1.00 0.00 C ATOM 176 O LEU A 15 6.632 -4.901 -6.287 1.00 0.00 O ATOM 177 CB LEU A 15 4.492 -3.793 -8.534 1.00 0.00 C ATOM 178 CG LEU A 15 3.252 -3.058 -9.049 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.525 -2.409 -10.407 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.039 -3.990 -9.092 1.00 0.00 C ATOM 0 H LEU A 15 5.619 -2.671 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 15 3.494 -4.627 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.364 -3.163 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.626 -4.698 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 15 3.016 -2.256 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.628 -1.893 -10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.341 -1.693 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.801 -3.178 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.172 -3.442 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.248 -4.829 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.832 -4.364 -8.089 1.00 0.00 H new ATOM 192 N TRP A 16 5.120 -6.494 -6.829 1.00 0.00 N ATOM 193 CA TRP A 16 6.009 -7.601 -6.516 1.00 0.00 C ATOM 194 C TRP A 16 5.949 -8.598 -7.674 1.00 0.00 C ATOM 195 O TRP A 16 4.906 -9.199 -7.928 1.00 0.00 O ATOM 196 CB TRP A 16 5.647 -8.228 -5.168 1.00 0.00 C ATOM 197 CG TRP A 16 5.977 -7.347 -3.962 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.079 -6.615 -3.753 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.146 -7.132 -2.801 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.021 -5.947 -2.546 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.809 -6.271 -1.950 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.879 -7.647 -2.481 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.281 -5.851 -0.723 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.366 -7.218 -1.252 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.019 -6.352 -0.382 1.00 0.00 C ATOM 0 H TRP A 16 4.195 -6.769 -7.159 1.00 0.00 H new ATOM 0 HA TRP A 16 7.037 -7.253 -6.410 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.581 -8.454 -5.159 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.174 -9.177 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.909 -6.555 -4.442 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.736 -5.329 -2.163 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.343 -8.321 -3.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.819 -5.176 -0.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.394 -7.586 -0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.555 -6.068 0.551 1.00 0.00 H new ATOM 216 N VAL A 17 7.081 -8.744 -8.347 1.00 0.00 N ATOM 217 CA VAL A 17 7.170 -9.657 -9.473 1.00 0.00 C ATOM 218 C VAL A 17 7.201 -11.096 -8.957 1.00 0.00 C ATOM 219 O VAL A 17 8.078 -11.461 -8.176 1.00 0.00 O ATOM 220 CB VAL A 17 8.384 -9.307 -10.337 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.688 -9.649 -9.614 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.310 -10.005 -11.696 1.00 0.00 C ATOM 0 H VAL A 17 7.945 -8.245 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 17 6.293 -9.559 -10.112 1.00 0.00 H new ATOM 0 HB VAL A 17 8.371 -8.231 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.535 -9.391 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.747 -9.084 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.712 -10.716 -9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.185 -9.739 -12.290 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.286 -11.085 -11.550 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.407 -9.689 -12.219 1.00 0.00 H new ATOM 232 N HIS A 18 6.230 -11.876 -9.412 1.00 0.00 N ATOM 233 CA HIS A 18 6.135 -13.267 -9.005 1.00 0.00 C ATOM 234 C HIS A 18 6.307 -14.173 -10.227 1.00 0.00 C ATOM 235 O HIS A 18 6.903 -15.244 -10.132 1.00 0.00 O ATOM 236 CB HIS A 18 4.828 -13.526 -8.255 1.00 0.00 C ATOM 237 CG HIS A 18 4.546 -14.986 -7.995 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.152 -15.466 -6.759 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.606 -16.067 -8.826 1.00 0.00 C ATOM 240 CE1 HIS A 18 3.986 -16.777 -6.851 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.268 -17.147 -8.133 1.00 0.00 N ATOM 0 H HIS A 18 5.503 -11.570 -10.058 1.00 0.00 H new ATOM 0 HA HIS A 18 6.939 -13.500 -8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.857 -12.997 -7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.003 -13.104 -8.828 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.013 -14.905 -5.919 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.882 -16.047 -9.870 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.681 -17.436 -6.052 1.00 0.00 H new ATOM 249 N GLN A 19 5.773 -13.707 -11.348 1.00 0.00 N ATOM 250 CA GLN A 19 5.860 -14.460 -12.587 1.00 0.00 C ATOM 251 C GLN A 19 6.407 -13.576 -13.709 1.00 0.00 C ATOM 252 O GLN A 19 6.386 -12.349 -13.604 1.00 0.00 O ATOM 253 CB GLN A 19 4.501 -15.050 -12.967 1.00 0.00 C ATOM 254 CG GLN A 19 4.327 -16.451 -12.377 1.00 0.00 C ATOM 255 CD GLN A 19 3.628 -17.381 -13.371 1.00 0.00 C ATOM 256 OE1 GLN A 19 2.420 -17.554 -13.353 1.00 0.00 O ATOM 257 NE2 GLN A 19 4.451 -17.969 -14.234 1.00 0.00 N ATOM 0 H GLN A 19 5.279 -12.818 -11.423 1.00 0.00 H new ATOM 0 HA GLN A 19 6.550 -15.290 -12.436 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.704 -14.399 -12.607 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.411 -15.095 -14.052 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.301 -16.862 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.745 -16.393 -11.457 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.452 -17.780 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.081 -18.609 -14.936 1.00 0.00 H new ATOM 266 N GLU A 20 6.884 -14.231 -14.757 1.00 0.00 N ATOM 267 CA GLU A 20 7.435 -13.518 -15.897 1.00 0.00 C ATOM 268 C GLU A 20 6.457 -12.443 -16.375 1.00 0.00 C ATOM 269 O GLU A 20 5.372 -12.758 -16.861 1.00 0.00 O ATOM 270 CB GLU A 20 7.785 -14.485 -17.031 1.00 0.00 C ATOM 271 CG GLU A 20 8.645 -15.641 -16.519 1.00 0.00 C ATOM 272 CD GLU A 20 9.306 -16.389 -17.680 1.00 0.00 C ATOM 273 OE1 GLU A 20 10.155 -15.819 -18.381 1.00 0.00 O ATOM 274 OE2 GLU A 20 8.910 -17.606 -17.840 1.00 0.00 O ATOM 0 H GLU A 20 6.900 -15.247 -14.841 1.00 0.00 H new ATOM 0 HA GLU A 20 8.357 -13.028 -15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.870 -14.877 -17.475 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.318 -13.951 -17.818 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.411 -15.258 -15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.028 -16.330 -15.942 1.00 0.00 H new ATOM 282 N GLY A 21 6.877 -11.196 -16.221 1.00 0.00 N ATOM 283 CA GLY A 21 6.051 -10.072 -16.631 1.00 0.00 C ATOM 284 C GLY A 21 4.787 -9.980 -15.775 1.00 0.00 C ATOM 285 O GLY A 21 3.795 -9.382 -16.189 1.00 0.00 O ATOM 0 H GLY A 21 7.778 -10.939 -15.818 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.621 -9.147 -16.545 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.777 -10.181 -17.680 1.00 0.00 H new ATOM 289 N ILE A 22 4.864 -10.579 -14.596 1.00 0.00 N ATOM 290 CA ILE A 22 3.738 -10.570 -13.677 1.00 0.00 C ATOM 291 C ILE A 22 4.153 -9.883 -12.375 1.00 0.00 C ATOM 292 O ILE A 22 5.270 -10.074 -11.897 1.00 0.00 O ATOM 293 CB ILE A 22 3.197 -11.988 -13.479 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.218 -12.362 -14.595 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.574 -12.148 -12.091 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.952 -12.987 -15.782 1.00 0.00 C ATOM 0 H ILE A 22 5.688 -11.074 -14.256 1.00 0.00 H new ATOM 0 HA ILE A 22 2.912 -9.993 -14.093 1.00 0.00 H new ATOM 0 HB ILE A 22 4.033 -12.685 -13.538 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.475 -13.062 -14.213 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.679 -11.473 -14.923 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.197 -13.164 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.328 -11.952 -11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.752 -11.441 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.233 -13.243 -16.560 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.677 -12.275 -16.177 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.470 -13.889 -15.456 1.00 0.00 H new ATOM 308 N TYR A 23 3.231 -9.097 -11.838 1.00 0.00 N ATOM 309 CA TYR A 23 3.487 -8.381 -10.599 1.00 0.00 C ATOM 310 C TYR A 23 2.284 -8.467 -9.658 1.00 0.00 C ATOM 311 O TYR A 23 1.149 -8.605 -10.108 1.00 0.00 O ATOM 312 CB TYR A 23 3.707 -6.919 -10.996 1.00 0.00 C ATOM 313 CG TYR A 23 5.166 -6.568 -11.293 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.066 -6.422 -10.257 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.583 -6.398 -12.598 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.440 -6.092 -10.537 1.00 0.00 C ATOM 317 CE2 TYR A 23 6.956 -6.066 -12.878 1.00 0.00 C ATOM 318 CZ TYR A 23 7.816 -5.930 -11.833 1.00 0.00 C ATOM 319 OH TYR A 23 9.113 -5.618 -12.098 1.00 0.00 O ATOM 0 H TYR A 23 2.306 -8.940 -12.238 1.00 0.00 H new ATOM 0 HA TYR A 23 4.345 -8.807 -10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.104 -6.698 -11.877 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.346 -6.277 -10.193 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.740 -6.555 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.879 -6.514 -13.409 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.155 -5.976 -9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.295 -5.928 -13.894 1.00 0.00 H new ATOM 0 HH TYR A 23 9.599 -5.496 -11.256 1.00 0.00 H new ATOM 329 N ARG A 24 2.576 -8.381 -8.369 1.00 0.00 N ATOM 330 CA ARG A 24 1.533 -8.446 -7.359 1.00 0.00 C ATOM 331 C ARG A 24 1.352 -7.082 -6.692 1.00 0.00 C ATOM 332 O ARG A 24 2.329 -6.443 -6.303 1.00 0.00 O ATOM 333 CB ARG A 24 1.866 -9.489 -6.291 1.00 0.00 C ATOM 334 CG ARG A 24 0.668 -10.405 -6.027 1.00 0.00 C ATOM 335 CD ARG A 24 1.097 -11.873 -6.002 1.00 0.00 C ATOM 336 NE ARG A 24 1.970 -12.127 -4.833 1.00 0.00 N ATOM 337 CZ ARG A 24 1.523 -12.243 -3.565 1.00 0.00 C ATOM 338 NH1 ARG A 24 0.206 -12.130 -3.291 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.392 -12.469 -2.598 1.00 0.00 N ATOM 0 H ARG A 24 3.520 -8.267 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 24 0.607 -8.735 -7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.720 -10.085 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.157 -8.989 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.206 -10.141 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.086 -10.256 -6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.218 -12.516 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.626 -12.121 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 24 2.972 -12.220 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.459 -11.956 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.124 -12.219 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.385 -12.553 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.070 -12.559 -1.634 1.00 0.00 H new ATOM 352 N ASP A 25 0.096 -6.674 -6.582 1.00 0.00 N ATOM 353 CA ASP A 25 -0.225 -5.397 -5.969 1.00 0.00 C ATOM 354 C ASP A 25 -0.201 -5.545 -4.447 1.00 0.00 C ATOM 355 O ASP A 25 0.117 -6.614 -3.929 1.00 0.00 O ATOM 356 CB ASP A 25 -1.623 -4.926 -6.377 1.00 0.00 C ATOM 357 CG ASP A 25 -1.838 -3.413 -6.316 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.732 -2.868 -6.983 1.00 0.00 O ATOM 359 OD2 ASP A 25 -1.033 -2.778 -5.535 1.00 0.00 O ATOM 0 H ASP A 25 -0.711 -7.206 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 25 0.513 -4.668 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.822 -5.266 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.356 -5.408 -5.730 1.00 0.00 H new ATOM 365 N GLU A 26 -0.543 -4.457 -3.773 1.00 0.00 N ATOM 366 CA GLU A 26 -0.563 -4.453 -2.320 1.00 0.00 C ATOM 367 C GLU A 26 -1.978 -4.730 -1.809 1.00 0.00 C ATOM 368 O GLU A 26 -2.297 -4.434 -0.658 1.00 0.00 O ATOM 369 CB GLU A 26 -0.031 -3.128 -1.767 1.00 0.00 C ATOM 370 CG GLU A 26 -1.131 -2.067 -1.735 1.00 0.00 C ATOM 371 CD GLU A 26 -0.535 -0.663 -1.616 1.00 0.00 C ATOM 372 OE1 GLU A 26 -0.721 0.169 -2.517 1.00 0.00 O ATOM 373 OE2 GLU A 26 0.144 -0.447 -0.541 1.00 0.00 O ATOM 0 H GLU A 26 -0.808 -3.572 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 26 0.094 -5.247 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.361 -3.281 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.798 -2.779 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.733 -2.135 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.798 -2.255 -0.894 1.00 0.00 H new ATOM 381 N TYR A 27 -2.791 -5.297 -2.689 1.00 0.00 N ATOM 382 CA TYR A 27 -4.165 -5.617 -2.342 1.00 0.00 C ATOM 383 C TYR A 27 -4.629 -6.888 -3.056 1.00 0.00 C ATOM 384 O TYR A 27 -5.808 -7.030 -3.376 1.00 0.00 O ATOM 385 CB TYR A 27 -5.009 -4.437 -2.829 1.00 0.00 C ATOM 386 CG TYR A 27 -5.182 -3.326 -1.792 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.706 -3.619 -0.548 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.816 -2.032 -2.099 1.00 0.00 C ATOM 389 CE1 TYR A 27 -5.869 -2.573 0.429 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.980 -0.986 -1.122 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.498 -1.309 0.093 1.00 0.00 C ATOM 392 OH TYR A 27 -5.652 -0.321 1.015 1.00 0.00 O ATOM 0 H TYR A 27 -2.524 -5.543 -3.642 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.260 -5.785 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.547 -4.017 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.993 -4.804 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.993 -4.632 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.406 -1.803 -3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.277 -2.788 1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.698 0.031 -1.349 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.344 0.529 0.638 1.00 0.00 H new ATOM 402 N GLN A 28 -3.676 -7.781 -3.284 1.00 0.00 N ATOM 403 CA GLN A 28 -3.972 -9.037 -3.954 1.00 0.00 C ATOM 404 C GLN A 28 -4.397 -8.779 -5.401 1.00 0.00 C ATOM 405 O GLN A 28 -5.333 -9.403 -5.897 1.00 0.00 O ATOM 406 CB GLN A 28 -5.048 -9.821 -3.199 1.00 0.00 C ATOM 407 CG GLN A 28 -4.418 -10.754 -2.162 1.00 0.00 C ATOM 408 CD GLN A 28 -5.192 -12.072 -2.070 1.00 0.00 C ATOM 409 OE1 GLN A 28 -5.178 -12.894 -2.972 1.00 0.00 O ATOM 410 NE2 GLN A 28 -5.865 -12.226 -0.934 1.00 0.00 N ATOM 0 H GLN A 28 -2.699 -7.660 -3.017 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.066 -9.643 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.729 -9.128 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.642 -10.403 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.381 -10.955 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.406 -10.266 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.834 -11.498 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.413 -13.072 -0.776 1.00 0.00 H new ATOM 419 N ARG A 29 -3.688 -7.858 -6.037 1.00 0.00 N ATOM 420 CA ARG A 29 -3.980 -7.510 -7.417 1.00 0.00 C ATOM 421 C ARG A 29 -2.793 -7.863 -8.316 1.00 0.00 C ATOM 422 O ARG A 29 -1.709 -7.300 -8.170 1.00 0.00 O ATOM 423 CB ARG A 29 -4.289 -6.018 -7.556 1.00 0.00 C ATOM 424 CG ARG A 29 -5.723 -5.798 -8.040 1.00 0.00 C ATOM 425 CD ARG A 29 -6.654 -5.480 -6.868 1.00 0.00 C ATOM 426 NE ARG A 29 -8.066 -5.573 -7.303 1.00 0.00 N ATOM 427 CZ ARG A 29 -9.124 -5.372 -6.489 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.939 -5.064 -5.187 1.00 0.00 N ATOM 429 NH2 ARG A 29 -10.342 -5.480 -6.985 1.00 0.00 N ATOM 0 H ARG A 29 -2.912 -7.342 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.856 -8.081 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.145 -5.522 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.591 -5.562 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.746 -4.980 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.076 -6.689 -8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.471 -6.175 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.447 -4.479 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.251 -5.803 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.994 -4.982 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.744 -4.914 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.473 -5.712 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.152 -5.331 -6.384 1.00 0.00 H new ATOM 442 N THR A 30 -3.037 -8.796 -9.225 1.00 0.00 N ATOM 443 CA THR A 30 -2.002 -9.231 -10.147 1.00 0.00 C ATOM 444 C THR A 30 -1.849 -8.226 -11.291 1.00 0.00 C ATOM 445 O THR A 30 -2.828 -7.624 -11.729 1.00 0.00 O ATOM 446 CB THR A 30 -2.356 -10.642 -10.623 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.743 -10.564 -10.939 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.288 -11.674 -9.495 1.00 0.00 C ATOM 0 H THR A 30 -3.936 -9.263 -9.342 1.00 0.00 H new ATOM 0 HA THR A 30 -1.029 -9.271 -9.658 1.00 0.00 H new ATOM 0 HB THR A 30 -1.679 -10.935 -11.425 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.850 -10.320 -11.882 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.548 -12.658 -9.886 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.278 -11.701 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.990 -11.399 -8.708 1.00 0.00 H new ATOM 456 N TRP A 31 -0.612 -8.074 -11.740 1.00 0.00 N ATOM 457 CA TRP A 31 -0.318 -7.153 -12.825 1.00 0.00 C ATOM 458 C TRP A 31 0.529 -7.896 -13.860 1.00 0.00 C ATOM 459 O TRP A 31 1.351 -8.740 -13.505 1.00 0.00 O ATOM 460 CB TRP A 31 0.357 -5.884 -12.299 1.00 0.00 C ATOM 461 CG TRP A 31 -0.566 -4.984 -11.476 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.980 -5.160 -10.213 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.178 -3.751 -11.913 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.809 -4.135 -9.806 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.934 -3.251 -10.872 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.095 -3.081 -13.145 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.664 -2.060 -10.958 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.830 -1.893 -13.215 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.596 -1.376 -12.177 1.00 0.00 C ATOM 0 H TRP A 31 0.198 -8.573 -11.372 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.237 -6.816 -13.305 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.213 -6.167 -11.686 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.745 -5.314 -13.143 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.700 -5.998 -9.592 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.250 -4.043 -8.891 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.510 -3.454 -13.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.248 -1.689 -10.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.800 -1.338 -14.141 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.136 -0.450 -12.311 1.00 0.00 H new ATOM 480 N VAL A 32 0.301 -7.555 -15.120 1.00 0.00 N ATOM 481 CA VAL A 32 1.033 -8.179 -16.208 1.00 0.00 C ATOM 482 C VAL A 32 1.942 -7.139 -16.866 1.00 0.00 C ATOM 483 O VAL A 32 1.527 -6.444 -17.793 1.00 0.00 O ATOM 484 CB VAL A 32 0.058 -8.829 -17.191 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.744 -9.135 -18.523 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.567 -10.090 -16.592 1.00 0.00 C ATOM 0 H VAL A 32 -0.381 -6.854 -15.411 1.00 0.00 H new ATOM 0 HA VAL A 32 1.672 -8.978 -15.830 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.745 -8.118 -17.385 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.028 -9.597 -19.203 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.116 -8.209 -18.962 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.577 -9.818 -18.355 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.256 -10.532 -17.312 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.218 -10.807 -16.354 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.109 -9.831 -15.683 1.00 0.00 H new ATOM 496 N ALA A 33 3.166 -7.067 -16.364 1.00 0.00 N ATOM 497 CA ALA A 33 4.138 -6.124 -16.892 1.00 0.00 C ATOM 498 C ALA A 33 4.637 -6.619 -18.251 1.00 0.00 C ATOM 499 O ALA A 33 5.425 -7.561 -18.320 1.00 0.00 O ATOM 500 CB ALA A 33 5.275 -5.944 -15.884 1.00 0.00 C ATOM 0 H ALA A 33 3.507 -7.646 -15.597 1.00 0.00 H new ATOM 0 HA ALA A 33 3.680 -5.147 -17.045 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.004 -5.237 -16.280 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.872 -5.563 -14.946 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.760 -6.904 -15.707 1.00 0.00 H new ATOM 506 N VAL A 34 4.156 -5.964 -19.297 1.00 0.00 N ATOM 507 CA VAL A 34 4.542 -6.326 -20.650 1.00 0.00 C ATOM 508 C VAL A 34 5.767 -5.507 -21.062 1.00 0.00 C ATOM 509 O VAL A 34 5.650 -4.547 -21.823 1.00 0.00 O ATOM 510 CB VAL A 34 3.356 -6.147 -21.599 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.792 -6.312 -23.057 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.224 -7.115 -21.251 1.00 0.00 C ATOM 0 H VAL A 34 3.502 -5.184 -19.235 1.00 0.00 H new ATOM 0 HA VAL A 34 4.823 -7.378 -20.698 1.00 0.00 H new ATOM 0 HB VAL A 34 2.977 -5.132 -21.475 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.930 -6.180 -23.712 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.548 -5.565 -23.297 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.208 -7.309 -23.202 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.393 -6.967 -21.941 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.584 -8.141 -21.332 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.886 -6.929 -20.231 1.00 0.00 H new ATOM 522 N VAL A 35 6.915 -5.914 -20.540 1.00 0.00 N ATOM 523 CA VAL A 35 8.160 -5.230 -20.843 1.00 0.00 C ATOM 524 C VAL A 35 8.226 -4.943 -22.345 1.00 0.00 C ATOM 525 O VAL A 35 8.348 -5.864 -23.152 1.00 0.00 O ATOM 526 CB VAL A 35 9.346 -6.054 -20.340 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.284 -7.487 -20.872 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.674 -5.389 -20.713 1.00 0.00 C ATOM 0 H VAL A 35 7.009 -6.710 -19.909 1.00 0.00 H new ATOM 0 HA VAL A 35 8.205 -4.272 -20.326 1.00 0.00 H new ATOM 0 HB VAL A 35 9.286 -6.097 -19.253 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.139 -8.051 -20.499 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.362 -7.961 -20.535 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.307 -7.472 -21.962 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.501 -5.995 -20.343 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.745 -5.301 -21.797 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.723 -4.397 -20.264 1.00 0.00 H new ATOM 538 N GLU A 36 8.141 -3.662 -22.675 1.00 0.00 N ATOM 539 CA GLU A 36 8.190 -3.243 -24.065 1.00 0.00 C ATOM 540 C GLU A 36 9.319 -2.233 -24.276 1.00 0.00 C ATOM 541 O GLU A 36 9.127 -1.032 -24.086 1.00 0.00 O ATOM 542 CB GLU A 36 6.846 -2.663 -24.510 1.00 0.00 C ATOM 543 CG GLU A 36 5.910 -3.767 -25.006 1.00 0.00 C ATOM 544 CD GLU A 36 5.547 -3.556 -26.479 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.384 -2.408 -26.919 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.434 -4.637 -27.172 1.00 0.00 O ATOM 0 H GLU A 36 8.039 -2.901 -22.003 1.00 0.00 H new ATOM 0 HA GLU A 36 8.393 -4.119 -24.681 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.381 -2.133 -23.678 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.006 -1.933 -25.303 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.389 -4.738 -24.881 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.003 -3.779 -24.402 1.00 0.00 H new ATOM 554 N GLU A 37 10.472 -2.755 -24.665 1.00 0.00 N ATOM 555 CA GLU A 37 11.633 -1.914 -24.905 1.00 0.00 C ATOM 556 C GLU A 37 11.310 -0.850 -25.955 1.00 0.00 C ATOM 557 O GLU A 37 10.983 -1.177 -27.094 1.00 0.00 O ATOM 558 CB GLU A 37 12.841 -2.753 -25.327 1.00 0.00 C ATOM 559 CG GLU A 37 12.461 -3.745 -26.428 1.00 0.00 C ATOM 560 CD GLU A 37 13.389 -3.607 -27.636 1.00 0.00 C ATOM 561 OE1 GLU A 37 12.996 -3.023 -28.657 1.00 0.00 O ATOM 562 OE2 GLU A 37 14.558 -4.131 -27.488 1.00 0.00 O ATOM 0 H GLU A 37 10.628 -3.751 -24.820 1.00 0.00 H new ATOM 0 HA GLU A 37 11.891 -1.410 -23.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.637 -2.098 -25.681 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.232 -3.293 -24.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.513 -4.762 -26.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.430 -3.574 -26.736 1.00 0.00 H new ATOM 570 N GLU A 38 11.412 0.403 -25.533 1.00 0.00 N ATOM 571 CA GLU A 38 11.134 1.517 -26.423 1.00 0.00 C ATOM 572 C GLU A 38 12.247 1.654 -27.465 1.00 0.00 C ATOM 573 O GLU A 38 13.336 1.109 -27.290 1.00 0.00 O ATOM 574 CB GLU A 38 10.958 2.817 -25.636 1.00 0.00 C ATOM 575 CG GLU A 38 9.477 3.175 -25.494 1.00 0.00 C ATOM 576 CD GLU A 38 9.146 4.453 -26.265 1.00 0.00 C ATOM 577 OE1 GLU A 38 9.970 5.379 -26.315 1.00 0.00 O ATOM 578 OE2 GLU A 38 7.985 4.465 -26.828 1.00 0.00 O ATOM 0 H GLU A 38 11.683 0.670 -24.587 1.00 0.00 H new ATOM 0 HA GLU A 38 10.198 1.316 -26.943 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.407 2.712 -24.648 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.485 3.627 -26.141 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.864 2.354 -25.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.231 3.307 -24.441 1.00 0.00 H new ATOM 586 N THR A 39 11.935 2.383 -28.525 1.00 0.00 N ATOM 587 CA THR A 39 12.895 2.599 -29.594 1.00 0.00 C ATOM 588 C THR A 39 14.250 3.014 -29.020 1.00 0.00 C ATOM 589 O THR A 39 15.294 2.657 -29.562 1.00 0.00 O ATOM 590 CB THR A 39 12.303 3.627 -30.560 1.00 0.00 C ATOM 591 OG1 THR A 39 11.234 2.932 -31.196 1.00 0.00 O ATOM 592 CG2 THR A 39 13.257 3.970 -31.706 1.00 0.00 C ATOM 0 H THR A 39 11.030 2.832 -28.667 1.00 0.00 H new ATOM 0 HA THR A 39 13.082 1.680 -30.149 1.00 0.00 H new ATOM 0 HB THR A 39 12.050 4.535 -30.013 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.794 3.527 -31.838 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.789 4.703 -32.362 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.180 4.384 -31.300 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.483 3.067 -32.274 1.00 0.00 H new ATOM 600 N SER A 40 14.190 3.765 -27.929 1.00 0.00 N ATOM 601 CA SER A 40 15.399 4.234 -27.275 1.00 0.00 C ATOM 602 C SER A 40 15.122 4.507 -25.796 1.00 0.00 C ATOM 603 O SER A 40 15.652 5.460 -25.226 1.00 0.00 O ATOM 604 CB SER A 40 15.939 5.494 -27.956 1.00 0.00 C ATOM 605 OG SER A 40 17.362 5.555 -27.913 1.00 0.00 O ATOM 0 H SER A 40 13.322 4.060 -27.482 1.00 0.00 H new ATOM 0 HA SER A 40 16.157 3.455 -27.358 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.606 5.516 -28.994 1.00 0.00 H new ATOM 0 HB3 SER A 40 15.523 6.376 -27.469 1.00 0.00 H new ATOM 0 HG SER A 40 17.668 6.372 -28.359 1.00 0.00 H new ATOM 611 N PHE A 41 14.292 3.653 -25.215 1.00 0.00 N ATOM 612 CA PHE A 41 13.938 3.791 -23.813 1.00 0.00 C ATOM 613 C PHE A 41 13.351 2.488 -23.264 1.00 0.00 C ATOM 614 O PHE A 41 13.289 1.485 -23.973 1.00 0.00 O ATOM 615 CB PHE A 41 12.877 4.890 -23.725 1.00 0.00 C ATOM 616 CG PHE A 41 13.453 6.307 -23.674 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.406 6.621 -22.757 1.00 0.00 C ATOM 618 CD2 PHE A 41 13.012 7.251 -24.547 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.941 7.936 -22.710 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.545 8.566 -24.500 1.00 0.00 C ATOM 621 CZ PHE A 41 14.499 8.881 -23.583 1.00 0.00 C ATOM 0 H PHE A 41 13.855 2.863 -25.690 1.00 0.00 H new ATOM 0 HA PHE A 41 14.825 4.034 -23.228 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.213 4.809 -24.585 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.269 4.724 -22.836 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.756 5.870 -22.064 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.256 7.001 -25.277 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.698 8.185 -21.982 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.193 9.316 -25.192 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.905 9.881 -23.548 1.00 0.00 H new ATOM 631 N LEU A 42 12.935 2.546 -22.008 1.00 0.00 N ATOM 632 CA LEU A 42 12.354 1.384 -21.357 1.00 0.00 C ATOM 633 C LEU A 42 10.881 1.660 -21.049 1.00 0.00 C ATOM 634 O LEU A 42 10.520 2.775 -20.676 1.00 0.00 O ATOM 635 CB LEU A 42 13.176 0.991 -20.129 1.00 0.00 C ATOM 636 CG LEU A 42 14.475 0.230 -20.407 1.00 0.00 C ATOM 637 CD1 LEU A 42 15.180 0.782 -21.647 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.388 0.238 -19.178 1.00 0.00 C ATOM 0 H LEU A 42 12.989 3.380 -21.423 1.00 0.00 H new ATOM 0 HA LEU A 42 12.384 0.521 -22.022 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.420 1.897 -19.575 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.551 0.378 -19.479 1.00 0.00 H new ATOM 0 HG LEU A 42 14.224 -0.810 -20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.100 0.224 -21.822 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.525 0.682 -22.513 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.418 1.834 -21.492 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.304 -0.309 -19.402 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.635 1.267 -18.915 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.876 -0.238 -18.341 1.00 0.00 H new ATOM 650 N ARG A 43 10.070 0.625 -21.216 1.00 0.00 N ATOM 651 CA ARG A 43 8.645 0.743 -20.959 1.00 0.00 C ATOM 652 C ARG A 43 8.069 -0.610 -20.536 1.00 0.00 C ATOM 653 O ARG A 43 8.090 -1.567 -21.309 1.00 0.00 O ATOM 654 CB ARG A 43 7.902 1.240 -22.200 1.00 0.00 C ATOM 655 CG ARG A 43 6.394 1.316 -21.944 1.00 0.00 C ATOM 656 CD ARG A 43 5.797 2.585 -22.554 1.00 0.00 C ATOM 657 NE ARG A 43 5.637 2.416 -24.016 1.00 0.00 N ATOM 658 CZ ARG A 43 5.604 3.439 -24.897 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.720 4.714 -24.470 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.458 3.173 -26.181 1.00 0.00 N ATOM 0 H ARG A 43 10.373 -0.298 -21.526 1.00 0.00 H new ATOM 0 HA ARG A 43 8.511 1.467 -20.155 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.276 2.224 -22.482 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.099 0.571 -23.038 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.905 0.439 -22.369 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.203 1.299 -20.871 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.831 2.799 -22.096 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.444 3.437 -22.347 1.00 0.00 H new ATOM 0 HE ARG A 43 5.546 1.468 -24.381 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.834 4.910 -23.476 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.694 5.481 -25.142 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.372 2.206 -26.495 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.431 3.934 -26.860 1.00 0.00 H new ATOM 673 N ALA A 44 7.567 -0.646 -19.311 1.00 0.00 N ATOM 674 CA ALA A 44 6.986 -1.866 -18.776 1.00 0.00 C ATOM 675 C ALA A 44 5.489 -1.652 -18.539 1.00 0.00 C ATOM 676 O ALA A 44 5.091 -1.131 -17.498 1.00 0.00 O ATOM 677 CB ALA A 44 7.727 -2.267 -17.498 1.00 0.00 C ATOM 0 H ALA A 44 7.550 0.150 -18.673 1.00 0.00 H new ATOM 0 HA ALA A 44 7.094 -2.686 -19.486 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.291 -3.182 -17.097 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.780 -2.436 -17.725 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.639 -1.469 -16.761 1.00 0.00 H new ATOM 683 N ARG A 45 4.702 -2.064 -19.521 1.00 0.00 N ATOM 684 CA ARG A 45 3.259 -1.925 -19.432 1.00 0.00 C ATOM 685 C ARG A 45 2.696 -2.887 -18.383 1.00 0.00 C ATOM 686 O ARG A 45 2.626 -4.092 -18.615 1.00 0.00 O ATOM 687 CB ARG A 45 2.594 -2.208 -20.781 1.00 0.00 C ATOM 688 CG ARG A 45 1.071 -2.109 -20.672 1.00 0.00 C ATOM 689 CD ARG A 45 0.391 -3.187 -21.520 1.00 0.00 C ATOM 690 NE ARG A 45 1.100 -3.338 -22.810 1.00 0.00 N ATOM 691 CZ ARG A 45 0.572 -3.942 -23.897 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.675 -4.457 -23.857 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.296 -4.022 -24.997 1.00 0.00 N ATOM 0 H ARG A 45 5.037 -2.495 -20.383 1.00 0.00 H new ATOM 0 HA ARG A 45 3.043 -0.897 -19.141 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.956 -1.498 -21.525 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.874 -3.203 -21.127 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.769 -2.216 -19.630 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.742 -1.122 -20.999 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.389 -4.136 -20.984 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.651 -2.919 -21.697 1.00 0.00 H new ATOM 0 HE ARG A 45 2.046 -2.963 -22.883 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.226 -4.392 -23.001 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.066 -4.911 -24.682 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.238 -3.631 -25.017 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.914 -4.475 -25.827 1.00 0.00 H new ATOM 706 N VAL A 46 2.309 -2.316 -17.250 1.00 0.00 N ATOM 707 CA VAL A 46 1.754 -3.107 -16.166 1.00 0.00 C ATOM 708 C VAL A 46 0.229 -3.126 -16.283 1.00 0.00 C ATOM 709 O VAL A 46 -0.435 -2.144 -15.957 1.00 0.00 O ATOM 710 CB VAL A 46 2.243 -2.567 -14.821 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.354 -3.689 -13.786 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.576 -1.832 -14.977 1.00 0.00 C ATOM 0 H VAL A 46 2.369 -1.316 -17.061 1.00 0.00 H new ATOM 0 HA VAL A 46 2.098 -4.139 -16.232 1.00 0.00 H new ATOM 0 HB VAL A 46 1.505 -1.851 -14.460 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.704 -3.277 -12.839 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.377 -4.150 -13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.061 -4.440 -14.138 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.901 -1.458 -14.006 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.326 -2.518 -15.371 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.452 -0.996 -15.665 1.00 0.00 H new ATOM 722 N GLN A 47 -0.282 -4.256 -16.750 1.00 0.00 N ATOM 723 CA GLN A 47 -1.717 -4.416 -16.914 1.00 0.00 C ATOM 724 C GLN A 47 -2.282 -5.312 -15.810 1.00 0.00 C ATOM 725 O GLN A 47 -1.727 -6.372 -15.522 1.00 0.00 O ATOM 726 CB GLN A 47 -2.052 -4.975 -18.299 1.00 0.00 C ATOM 727 CG GLN A 47 -3.558 -5.195 -18.453 1.00 0.00 C ATOM 728 CD GLN A 47 -4.085 -4.510 -19.716 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.484 -3.358 -19.707 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.065 -5.282 -20.798 1.00 0.00 N ATOM 0 H GLN A 47 0.272 -5.069 -17.020 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.183 -3.434 -16.832 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.701 -4.286 -19.067 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.526 -5.917 -18.452 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.771 -6.263 -18.498 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.078 -4.804 -17.579 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.717 -6.239 -20.735 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.397 -4.917 -21.691 1.00 0.00 H new ATOM 739 N GLN A 48 -3.376 -4.853 -15.222 1.00 0.00 N ATOM 740 CA GLN A 48 -4.022 -5.601 -14.156 1.00 0.00 C ATOM 741 C GLN A 48 -5.030 -6.594 -14.739 1.00 0.00 C ATOM 742 O GLN A 48 -5.947 -6.201 -15.459 1.00 0.00 O ATOM 743 CB GLN A 48 -4.695 -4.659 -13.155 1.00 0.00 C ATOM 744 CG GLN A 48 -5.582 -5.436 -12.182 1.00 0.00 C ATOM 745 CD GLN A 48 -4.784 -5.895 -10.959 1.00 0.00 C ATOM 746 OE1 GLN A 48 -3.987 -5.163 -10.396 1.00 0.00 O ATOM 747 NE2 GLN A 48 -5.044 -7.143 -10.581 1.00 0.00 N ATOM 0 H GLN A 48 -3.832 -3.973 -15.463 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.258 -6.163 -13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.935 -4.109 -12.600 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.294 -3.922 -13.690 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.414 -4.809 -11.863 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.010 -6.302 -12.687 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.724 -7.701 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.564 -7.542 -9.774 1.00 0.00 H new ATOM 756 N ILE A 49 -4.826 -7.859 -14.405 1.00 0.00 N ATOM 757 CA ILE A 49 -5.706 -8.911 -14.887 1.00 0.00 C ATOM 758 C ILE A 49 -5.803 -10.012 -13.830 1.00 0.00 C ATOM 759 O ILE A 49 -4.996 -10.062 -12.903 1.00 0.00 O ATOM 760 CB ILE A 49 -5.243 -9.412 -16.256 1.00 0.00 C ATOM 761 CG1 ILE A 49 -3.744 -9.722 -16.249 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.618 -8.419 -17.359 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.922 -8.460 -16.514 1.00 0.00 C ATOM 0 H ILE A 49 -4.065 -8.180 -13.807 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.714 -8.525 -15.039 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.763 -10.345 -16.472 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.462 -10.149 -15.286 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.521 -10.472 -17.008 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.277 -8.799 -18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.700 -8.292 -17.381 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.144 -7.458 -17.160 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.861 -8.708 -16.504 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.189 -8.050 -17.488 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.129 -7.721 -15.740 1.00 0.00 H new ATOM 775 N GLN A 50 -6.798 -10.870 -14.004 1.00 0.00 N ATOM 776 CA GLN A 50 -7.011 -11.967 -13.076 1.00 0.00 C ATOM 777 C GLN A 50 -6.208 -13.196 -13.513 1.00 0.00 C ATOM 778 O GLN A 50 -6.764 -14.133 -14.084 1.00 0.00 O ATOM 779 CB GLN A 50 -8.499 -12.300 -12.953 1.00 0.00 C ATOM 780 CG GLN A 50 -9.025 -11.957 -11.558 1.00 0.00 C ATOM 781 CD GLN A 50 -9.713 -10.590 -11.553 1.00 0.00 C ATOM 782 OE1 GLN A 50 -10.864 -10.444 -11.931 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.946 -9.599 -11.105 1.00 0.00 N ATOM 0 H GLN A 50 -7.465 -10.827 -14.774 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.659 -11.658 -12.092 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.062 -11.746 -13.704 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.656 -13.360 -13.154 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.728 -12.723 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.201 -11.956 -10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.990 -9.790 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.314 -8.649 -11.063 1.00 0.00 H new ATOM 792 N VAL A 51 -4.916 -13.150 -13.228 1.00 0.00 N ATOM 793 CA VAL A 51 -4.032 -14.247 -13.584 1.00 0.00 C ATOM 794 C VAL A 51 -3.474 -14.880 -12.309 1.00 0.00 C ATOM 795 O VAL A 51 -2.991 -14.177 -11.422 1.00 0.00 O ATOM 796 CB VAL A 51 -2.939 -13.751 -14.533 1.00 0.00 C ATOM 797 CG1 VAL A 51 -3.542 -13.223 -15.836 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.069 -12.688 -13.861 1.00 0.00 C ATOM 0 H VAL A 51 -4.459 -12.370 -12.755 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.581 -15.022 -14.119 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.300 -14.599 -14.779 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.744 -12.877 -16.492 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.097 -14.021 -16.329 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.215 -12.395 -15.616 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.301 -12.353 -14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.690 -11.840 -13.570 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.596 -13.112 -12.975 1.00 0.00 H new ATOM 808 N PRO A 52 -3.560 -16.236 -12.255 1.00 0.00 N ATOM 809 CA PRO A 52 -3.069 -16.972 -11.103 1.00 0.00 C ATOM 810 C PRO A 52 -1.541 -17.036 -11.102 1.00 0.00 C ATOM 811 O PRO A 52 -0.901 -16.671 -12.087 1.00 0.00 O ATOM 812 CB PRO A 52 -3.720 -18.342 -11.204 1.00 0.00 C ATOM 813 CG PRO A 52 -4.179 -18.480 -12.646 1.00 0.00 C ATOM 814 CD PRO A 52 -4.126 -17.102 -13.286 1.00 0.00 C ATOM 0 HA PRO A 52 -3.325 -16.492 -10.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.014 -19.130 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.562 -18.426 -10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.537 -19.177 -13.186 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.191 -18.882 -12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.507 -17.106 -14.183 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.119 -16.766 -13.585 1.00 0.00 H new ATOM 822 N LEU A 53 -1.000 -17.503 -9.986 1.00 0.00 N ATOM 823 CA LEU A 53 0.442 -17.617 -9.845 1.00 0.00 C ATOM 824 C LEU A 53 0.784 -18.987 -9.255 1.00 0.00 C ATOM 825 O LEU A 53 0.028 -19.527 -8.449 1.00 0.00 O ATOM 826 CB LEU A 53 0.997 -16.443 -9.037 1.00 0.00 C ATOM 827 CG LEU A 53 0.446 -15.062 -9.395 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.469 -14.532 -8.290 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.579 -14.086 -9.718 1.00 0.00 C ATOM 0 H LEU A 53 -1.534 -17.807 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 53 0.926 -17.558 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.799 -16.629 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.080 -16.423 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.161 -15.160 -10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.847 -13.549 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.306 -15.216 -8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.093 -14.453 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.160 -13.112 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.232 -13.987 -8.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.154 -14.463 -10.564 1.00 0.00 H new ATOM 841 N GLY A 54 1.924 -19.510 -9.680 1.00 0.00 N ATOM 842 CA GLY A 54 2.376 -20.808 -9.204 1.00 0.00 C ATOM 843 C GLY A 54 3.875 -20.989 -9.448 1.00 0.00 C ATOM 844 O GLY A 54 4.346 -22.110 -9.638 1.00 0.00 O ATOM 0 H GLY A 54 2.549 -19.060 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.163 -20.903 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.823 -21.598 -9.712 1.00 0.00 H new ATOM 848 N ASP A 55 4.585 -19.870 -9.436 1.00 0.00 N ATOM 849 CA ASP A 55 6.021 -19.892 -9.655 1.00 0.00 C ATOM 850 C ASP A 55 6.606 -18.520 -9.316 1.00 0.00 C ATOM 851 O ASP A 55 6.468 -17.574 -10.092 1.00 0.00 O ATOM 852 CB ASP A 55 6.352 -20.199 -11.117 1.00 0.00 C ATOM 853 CG ASP A 55 5.381 -21.155 -11.813 1.00 0.00 C ATOM 854 OD1 ASP A 55 4.240 -20.788 -12.131 1.00 0.00 O ATOM 855 OD2 ASP A 55 5.843 -22.340 -12.030 1.00 0.00 O ATOM 0 H ASP A 55 4.192 -18.942 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 55 6.446 -20.668 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.376 -19.262 -11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.354 -20.624 -11.165 1.00 0.00 H new ATOM 861 N ALA A 56 7.244 -18.453 -8.157 1.00 0.00 N ATOM 862 CA ALA A 56 7.850 -17.211 -7.707 1.00 0.00 C ATOM 863 C ALA A 56 9.371 -17.316 -7.836 1.00 0.00 C ATOM 864 O ALA A 56 10.106 -16.802 -6.994 1.00 0.00 O ATOM 865 CB ALA A 56 7.406 -16.917 -6.273 1.00 0.00 C ATOM 0 H ALA A 56 7.355 -19.238 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 56 7.523 -16.377 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.860 -15.986 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.320 -16.824 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.720 -17.732 -5.621 1.00 0.00 H new ATOM 871 N ALA A 57 9.799 -17.983 -8.899 1.00 0.00 N ATOM 872 CA ALA A 57 11.219 -18.161 -9.148 1.00 0.00 C ATOM 873 C ALA A 57 11.802 -16.861 -9.704 1.00 0.00 C ATOM 874 O ALA A 57 11.280 -15.779 -9.440 1.00 0.00 O ATOM 875 CB ALA A 57 11.425 -19.345 -10.096 1.00 0.00 C ATOM 0 H ALA A 57 9.187 -18.406 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 57 11.746 -18.388 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.490 -19.480 -10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.019 -20.249 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.912 -19.150 -11.038 1.00 0.00 H new ATOM 881 N ARG A 58 12.877 -17.010 -10.464 1.00 0.00 N ATOM 882 CA ARG A 58 13.537 -15.860 -11.060 1.00 0.00 C ATOM 883 C ARG A 58 13.919 -16.161 -12.510 1.00 0.00 C ATOM 884 O ARG A 58 15.085 -16.053 -12.885 1.00 0.00 O ATOM 885 CB ARG A 58 14.796 -15.480 -10.277 1.00 0.00 C ATOM 886 CG ARG A 58 14.436 -14.929 -8.896 1.00 0.00 C ATOM 887 CD ARG A 58 15.575 -14.077 -8.332 1.00 0.00 C ATOM 888 NE ARG A 58 16.119 -14.705 -7.109 1.00 0.00 N ATOM 889 CZ ARG A 58 16.976 -15.749 -7.111 1.00 0.00 C ATOM 890 NH1 ARG A 58 17.392 -16.291 -8.275 1.00 0.00 N ATOM 891 NH2 ARG A 58 17.399 -16.232 -5.957 1.00 0.00 N ATOM 0 H ARG A 58 13.307 -17.909 -10.681 1.00 0.00 H new ATOM 0 HA ARG A 58 12.838 -15.024 -11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.439 -16.354 -10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.364 -14.734 -10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.528 -14.329 -8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.223 -15.754 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.363 -13.970 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.212 -13.074 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 58 15.829 -14.326 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.059 -15.912 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 58 18.039 -17.079 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.078 -15.817 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.046 -17.020 -5.941 1.00 0.00 H new ATOM 904 N PRO A 59 12.886 -16.541 -13.310 1.00 0.00 N ATOM 905 CA PRO A 59 13.103 -16.859 -14.712 1.00 0.00 C ATOM 906 C PRO A 59 13.315 -15.587 -15.535 1.00 0.00 C ATOM 907 O PRO A 59 14.433 -15.299 -15.960 1.00 0.00 O ATOM 908 CB PRO A 59 11.868 -17.638 -15.133 1.00 0.00 C ATOM 909 CG PRO A 59 10.804 -17.331 -14.091 1.00 0.00 C ATOM 910 CD PRO A 59 11.492 -16.680 -12.902 1.00 0.00 C ATOM 0 HA PRO A 59 14.005 -17.448 -14.876 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.538 -17.338 -16.128 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.076 -18.707 -15.175 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.045 -16.666 -14.504 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.295 -18.245 -13.784 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.049 -15.711 -12.670 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.401 -17.295 -12.007 1.00 0.00 H new ATOM 918 N SER A 60 12.226 -14.860 -15.735 1.00 0.00 N ATOM 919 CA SER A 60 12.280 -13.625 -16.500 1.00 0.00 C ATOM 920 C SER A 60 13.066 -12.565 -15.728 1.00 0.00 C ATOM 921 O SER A 60 13.545 -11.594 -16.312 1.00 0.00 O ATOM 922 CB SER A 60 10.874 -13.114 -16.820 1.00 0.00 C ATOM 923 OG SER A 60 10.903 -11.942 -17.630 1.00 0.00 O ATOM 0 H SER A 60 11.301 -15.102 -15.381 1.00 0.00 H new ATOM 0 HA SER A 60 12.787 -13.829 -17.443 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.312 -13.895 -17.333 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.346 -12.899 -15.891 1.00 0.00 H new ATOM 0 HG SER A 60 9.986 -11.648 -17.813 1.00 0.00 H new ATOM 929 N HIS A 61 13.177 -12.787 -14.426 1.00 0.00 N ATOM 930 CA HIS A 61 13.896 -11.862 -13.568 1.00 0.00 C ATOM 931 C HIS A 61 15.334 -11.708 -14.068 1.00 0.00 C ATOM 932 O HIS A 61 15.870 -10.602 -14.102 1.00 0.00 O ATOM 933 CB HIS A 61 13.823 -12.307 -12.106 1.00 0.00 C ATOM 934 CG HIS A 61 12.420 -12.588 -11.621 1.00 0.00 C ATOM 935 ND1 HIS A 61 12.100 -12.703 -10.278 1.00 0.00 N ATOM 936 CD2 HIS A 61 11.259 -12.775 -12.311 1.00 0.00 C ATOM 937 CE1 HIS A 61 10.803 -12.949 -10.177 1.00 0.00 C ATOM 938 NE2 HIS A 61 10.283 -12.994 -11.438 1.00 0.00 N ATOM 0 H HIS A 61 12.781 -13.594 -13.945 1.00 0.00 H new ATOM 0 HA HIS A 61 13.425 -10.880 -13.613 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.427 -13.205 -11.979 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.266 -11.534 -11.478 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.152 -12.749 -13.385 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.253 -13.089 -9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.305 -13.167 -11.671 1.00 0.00 H new ATOM 946 N LEU A 62 15.919 -12.836 -14.445 1.00 0.00 N ATOM 947 CA LEU A 62 17.283 -12.842 -14.944 1.00 0.00 C ATOM 948 C LEU A 62 17.264 -12.798 -16.473 1.00 0.00 C ATOM 949 O LEU A 62 18.244 -12.399 -17.099 1.00 0.00 O ATOM 950 CB LEU A 62 18.058 -14.031 -14.372 1.00 0.00 C ATOM 951 CG LEU A 62 18.692 -13.821 -12.995 1.00 0.00 C ATOM 952 CD1 LEU A 62 18.516 -15.060 -12.115 1.00 0.00 C ATOM 953 CD2 LEU A 62 20.161 -13.413 -13.125 1.00 0.00 C ATOM 0 H LEU A 62 15.472 -13.752 -14.415 1.00 0.00 H new ATOM 0 HA LEU A 62 17.815 -11.952 -14.607 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.382 -14.884 -14.312 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.846 -14.297 -15.076 1.00 0.00 H new ATOM 0 HG LEU A 62 18.172 -13.000 -12.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.976 -14.884 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.454 -15.264 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.993 -15.916 -12.592 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.588 -13.270 -12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.711 -14.196 -13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.232 -12.482 -13.688 1.00 0.00 H new ATOM 965 N LEU A 63 16.137 -13.215 -17.031 1.00 0.00 N ATOM 966 CA LEU A 63 15.977 -13.230 -18.475 1.00 0.00 C ATOM 967 C LEU A 63 15.923 -11.791 -18.992 1.00 0.00 C ATOM 968 O LEU A 63 16.799 -11.365 -19.744 1.00 0.00 O ATOM 969 CB LEU A 63 14.763 -14.071 -18.871 1.00 0.00 C ATOM 970 CG LEU A 63 14.917 -14.920 -20.135 1.00 0.00 C ATOM 971 CD1 LEU A 63 15.103 -16.396 -19.784 1.00 0.00 C ATOM 972 CD2 LEU A 63 13.742 -14.700 -21.090 1.00 0.00 C ATOM 0 H LEU A 63 15.325 -13.545 -16.509 1.00 0.00 H new ATOM 0 HA LEU A 63 16.835 -13.708 -18.948 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.518 -14.733 -18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.912 -13.403 -19.007 1.00 0.00 H new ATOM 0 HG LEU A 63 15.819 -14.598 -20.656 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.210 -16.977 -20.700 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.997 -16.515 -19.172 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.234 -16.750 -19.229 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.876 -15.315 -21.980 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.812 -14.978 -20.593 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.699 -13.650 -21.378 1.00 0.00 H new ATOM 984 N THR A 64 14.887 -11.082 -18.569 1.00 0.00 N ATOM 985 CA THR A 64 14.707 -9.700 -18.980 1.00 0.00 C ATOM 986 C THR A 64 15.846 -8.832 -18.443 1.00 0.00 C ATOM 987 O THR A 64 16.608 -8.253 -19.216 1.00 0.00 O ATOM 988 CB THR A 64 13.323 -9.244 -18.515 1.00 0.00 C ATOM 989 OG1 THR A 64 12.428 -9.847 -19.445 1.00 0.00 O ATOM 990 CG2 THR A 64 13.107 -7.742 -18.707 1.00 0.00 C ATOM 0 H THR A 64 14.163 -11.439 -17.945 1.00 0.00 H new ATOM 0 HA THR A 64 14.749 -9.601 -20.065 1.00 0.00 H new ATOM 0 HB THR A 64 13.191 -9.497 -17.463 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.892 -10.529 -18.988 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.110 -7.471 -18.361 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.852 -7.191 -18.133 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.205 -7.492 -19.763 1.00 0.00 H new ATOM 998 N SER A 65 15.927 -8.768 -17.122 1.00 0.00 N ATOM 999 CA SER A 65 16.960 -7.979 -16.472 1.00 0.00 C ATOM 1000 C SER A 65 16.701 -6.489 -16.701 1.00 0.00 C ATOM 1001 O SER A 65 17.635 -5.722 -16.930 1.00 0.00 O ATOM 1002 CB SER A 65 18.349 -8.362 -16.985 1.00 0.00 C ATOM 1003 OG SER A 65 18.675 -7.688 -18.198 1.00 0.00 O ATOM 0 H SER A 65 15.294 -9.250 -16.484 1.00 0.00 H new ATOM 0 HA SER A 65 16.928 -8.186 -15.402 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.094 -8.123 -16.226 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.392 -9.439 -17.146 1.00 0.00 H new ATOM 0 HG SER A 65 17.898 -7.695 -18.795 1.00 0.00 H new ATOM 1009 N GLN A 66 15.430 -6.123 -16.631 1.00 0.00 N ATOM 1010 CA GLN A 66 15.037 -4.738 -16.827 1.00 0.00 C ATOM 1011 C GLN A 66 14.139 -4.272 -15.679 1.00 0.00 C ATOM 1012 O GLN A 66 14.498 -3.360 -14.937 1.00 0.00 O ATOM 1013 CB GLN A 66 14.341 -4.552 -18.177 1.00 0.00 C ATOM 1014 CG GLN A 66 15.294 -4.861 -19.333 1.00 0.00 C ATOM 1015 CD GLN A 66 14.860 -4.139 -20.610 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.689 -4.057 -20.940 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.868 -3.620 -21.307 1.00 0.00 N ATOM 0 H GLN A 66 14.658 -6.762 -16.441 1.00 0.00 H new ATOM 0 HA GLN A 66 15.937 -4.123 -16.830 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.470 -5.205 -18.234 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.977 -3.528 -18.265 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.306 -4.557 -19.066 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.320 -5.936 -19.510 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.826 -3.725 -20.973 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.682 -3.117 -22.175 1.00 0.00 H new ATOM 1026 N LEU A 67 12.990 -4.922 -15.568 1.00 0.00 N ATOM 1027 CA LEU A 67 12.038 -4.585 -14.523 1.00 0.00 C ATOM 1028 C LEU A 67 12.609 -4.999 -13.165 1.00 0.00 C ATOM 1029 O LEU A 67 13.256 -6.039 -13.052 1.00 0.00 O ATOM 1030 CB LEU A 67 10.670 -5.198 -14.827 1.00 0.00 C ATOM 1031 CG LEU A 67 9.966 -4.678 -16.083 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.848 -4.860 -17.320 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.595 -5.336 -16.254 1.00 0.00 C ATOM 0 H LEU A 67 12.697 -5.680 -16.184 1.00 0.00 H new ATOM 0 HA LEU A 67 11.878 -3.507 -14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.791 -6.277 -14.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.018 -5.025 -13.971 1.00 0.00 H new ATOM 0 HG LEU A 67 9.797 -3.608 -15.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.325 -4.483 -18.199 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.779 -4.309 -17.187 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.070 -5.919 -17.456 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.116 -4.950 -17.153 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.718 -6.415 -16.344 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.973 -5.112 -15.387 1.00 0.00 H new ATOM 1045 N PRO A 68 12.343 -4.142 -12.144 1.00 0.00 N ATOM 1046 CA PRO A 68 12.823 -4.408 -10.799 1.00 0.00 C ATOM 1047 C PRO A 68 12.002 -5.513 -10.132 1.00 0.00 C ATOM 1048 O PRO A 68 10.932 -5.875 -10.618 1.00 0.00 O ATOM 1049 CB PRO A 68 12.725 -3.075 -10.076 1.00 0.00 C ATOM 1050 CG PRO A 68 11.764 -2.227 -10.892 1.00 0.00 C ATOM 1051 CD PRO A 68 11.580 -2.901 -12.242 1.00 0.00 C ATOM 0 HA PRO A 68 13.848 -4.780 -10.784 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.359 -3.209 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.702 -2.597 -10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.807 -2.133 -10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.158 -1.219 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.528 -3.098 -12.446 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.949 -2.272 -13.052 1.00 0.00 H new ATOM 1059 N LEU A 69 12.534 -6.016 -9.028 1.00 0.00 N ATOM 1060 CA LEU A 69 11.864 -7.073 -8.289 1.00 0.00 C ATOM 1061 C LEU A 69 10.661 -6.487 -7.549 1.00 0.00 C ATOM 1062 O LEU A 69 9.741 -7.215 -7.176 1.00 0.00 O ATOM 1063 CB LEU A 69 12.853 -7.799 -7.376 1.00 0.00 C ATOM 1064 CG LEU A 69 12.855 -9.326 -7.468 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.503 -9.902 -7.039 1.00 0.00 C ATOM 1066 CD2 LEU A 69 13.257 -9.792 -8.868 1.00 0.00 C ATOM 0 H LEU A 69 13.421 -5.711 -8.627 1.00 0.00 H new ATOM 0 HA LEU A 69 11.481 -7.831 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.857 -7.440 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.639 -7.517 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 69 13.604 -9.708 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.531 -10.989 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.295 -9.614 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.719 -9.514 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.250 -10.881 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.550 -9.400 -9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.258 -9.428 -9.099 1.00 0.00 H new ATOM 1078 N MET A 70 10.704 -5.177 -7.357 1.00 0.00 N ATOM 1079 CA MET A 70 9.628 -4.484 -6.668 1.00 0.00 C ATOM 1080 C MET A 70 9.634 -2.991 -7.005 1.00 0.00 C ATOM 1081 O MET A 70 10.696 -2.379 -7.111 1.00 0.00 O ATOM 1082 CB MET A 70 9.787 -4.668 -5.158 1.00 0.00 C ATOM 1083 CG MET A 70 8.753 -3.840 -4.393 1.00 0.00 C ATOM 1084 SD MET A 70 9.530 -3.017 -3.013 1.00 0.00 S ATOM 1085 CE MET A 70 10.497 -1.795 -3.885 1.00 0.00 C ATOM 0 H MET A 70 11.468 -4.576 -7.667 1.00 0.00 H new ATOM 0 HA MET A 70 8.679 -4.907 -6.996 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.675 -5.722 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.791 -4.372 -4.856 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.300 -3.104 -5.058 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.950 -4.485 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.036 -1.178 -3.167 1.00 0.00 H new ATOM 0 HE2 MET A 70 11.210 -2.295 -4.541 1.00 0.00 H new ATOM 0 HE3 MET A 70 9.836 -1.165 -4.481 1.00 0.00 H new ATOM 1095 N TRP A 71 8.436 -2.448 -7.161 1.00 0.00 N ATOM 1096 CA TRP A 71 8.289 -1.039 -7.484 1.00 0.00 C ATOM 1097 C TRP A 71 7.792 -0.317 -6.231 1.00 0.00 C ATOM 1098 O TRP A 71 7.218 -0.938 -5.338 1.00 0.00 O ATOM 1099 CB TRP A 71 7.367 -0.846 -8.689 1.00 0.00 C ATOM 1100 CG TRP A 71 8.096 -0.843 -10.035 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.201 -0.166 -10.374 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.722 -1.584 -11.217 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.566 -0.415 -11.681 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.638 -1.304 -12.210 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.645 -2.461 -11.439 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.571 -1.860 -13.493 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.592 -3.007 -12.726 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.507 -2.736 -13.737 1.00 0.00 C ATOM 0 H TRP A 71 7.558 -2.958 -7.070 1.00 0.00 H new ATOM 0 HA TRP A 71 9.246 -0.609 -7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.620 -1.640 -8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.830 0.096 -8.576 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.739 0.492 -9.708 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.369 -0.019 -12.169 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.917 -2.694 -10.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.301 -1.626 -14.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.783 -3.687 -12.950 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.397 -3.199 -14.706 1.00 0.00 H new ATOM 1119 N GLN A 72 8.032 0.987 -6.203 1.00 0.00 N ATOM 1120 CA GLN A 72 7.618 1.800 -5.072 1.00 0.00 C ATOM 1121 C GLN A 72 7.067 3.143 -5.558 1.00 0.00 C ATOM 1122 O GLN A 72 7.831 4.040 -5.910 1.00 0.00 O ATOM 1123 CB GLN A 72 8.774 2.005 -4.091 1.00 0.00 C ATOM 1124 CG GLN A 72 8.253 2.241 -2.672 1.00 0.00 C ATOM 1125 CD GLN A 72 8.010 0.914 -1.949 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.821 0.373 -2.195 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.849 0.415 -1.217 1.00 0.00 N flip ATOM 0 H GLN A 72 8.508 1.500 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 72 6.824 1.273 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.425 1.131 -4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.377 2.856 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.972 2.838 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.326 2.813 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.743 0.884 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.656 -0.471 -0.750 1.00 0.00 H new ATOM 1136 N LEU A 73 5.746 3.236 -5.563 1.00 0.00 N ATOM 1137 CA LEU A 73 5.084 4.454 -6.001 1.00 0.00 C ATOM 1138 C LEU A 73 5.730 5.657 -5.311 1.00 0.00 C ATOM 1139 O LEU A 73 5.768 5.727 -4.083 1.00 0.00 O ATOM 1140 CB LEU A 73 3.573 4.354 -5.775 1.00 0.00 C ATOM 1141 CG LEU A 73 2.784 5.654 -5.935 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.278 6.450 -7.145 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.281 5.377 -6.006 1.00 0.00 C ATOM 0 H LEU A 73 5.116 2.489 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 73 5.214 4.593 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.169 3.619 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.401 3.969 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 73 2.957 6.270 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.700 7.370 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.332 6.695 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.154 5.853 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.743 6.318 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.070 4.733 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.958 4.883 -5.090 1.00 0.00 H new ATOM 1155 N TYR A 74 6.222 6.574 -6.130 1.00 0.00 N ATOM 1156 CA TYR A 74 6.866 7.771 -5.614 1.00 0.00 C ATOM 1157 C TYR A 74 6.180 9.033 -6.142 1.00 0.00 C ATOM 1158 O TYR A 74 5.278 8.952 -6.974 1.00 0.00 O ATOM 1159 CB TYR A 74 8.304 7.732 -6.133 1.00 0.00 C ATOM 1160 CG TYR A 74 9.363 7.727 -5.028 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.212 6.902 -3.931 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.469 8.547 -5.127 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.209 6.897 -2.892 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.466 8.542 -4.088 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.286 7.717 -3.021 1.00 0.00 C ATOM 1166 OH TYR A 74 12.227 7.712 -2.039 1.00 0.00 O ATOM 0 H TYR A 74 6.188 6.513 -7.148 1.00 0.00 H new ATOM 0 HA TYR A 74 6.815 7.796 -4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.433 6.843 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.470 8.595 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.347 6.261 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.587 9.193 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.104 6.256 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.336 9.178 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 74 12.939 8.346 -2.265 1.00 0.00 H new ATOM 1176 N PRO A 75 6.646 10.200 -5.623 1.00 0.00 N ATOM 1177 CA PRO A 75 6.088 11.477 -6.032 1.00 0.00 C ATOM 1178 C PRO A 75 6.574 11.866 -7.430 1.00 0.00 C ATOM 1179 O PRO A 75 7.515 11.270 -7.951 1.00 0.00 O ATOM 1180 CB PRO A 75 6.524 12.460 -4.958 1.00 0.00 C ATOM 1181 CG PRO A 75 7.691 11.801 -4.239 1.00 0.00 C ATOM 1182 CD PRO A 75 7.714 10.334 -4.636 1.00 0.00 C ATOM 0 HA PRO A 75 5.001 11.453 -6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.823 13.412 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.708 12.671 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.629 12.285 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.581 11.903 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.679 10.053 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.541 9.688 -3.775 1.00 0.00 H new ATOM 1190 N GLU A 76 5.909 12.861 -7.998 1.00 0.00 N ATOM 1191 CA GLU A 76 6.261 13.336 -9.325 1.00 0.00 C ATOM 1192 C GLU A 76 5.653 12.424 -10.393 1.00 0.00 C ATOM 1193 O GLU A 76 6.020 12.504 -11.564 1.00 0.00 O ATOM 1194 CB GLU A 76 7.780 13.434 -9.487 1.00 0.00 C ATOM 1195 CG GLU A 76 8.187 14.812 -10.011 1.00 0.00 C ATOM 1196 CD GLU A 76 9.483 15.289 -9.352 1.00 0.00 C ATOM 1197 OE1 GLU A 76 9.862 14.777 -8.288 1.00 0.00 O ATOM 1198 OE2 GLU A 76 10.106 16.224 -9.986 1.00 0.00 O ATOM 0 H GLU A 76 5.128 13.352 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 76 5.850 14.337 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.264 13.248 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.127 12.662 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.319 14.769 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.390 15.529 -9.815 1.00 0.00 H new ATOM 1206 N GLU A 77 4.736 11.578 -9.951 1.00 0.00 N ATOM 1207 CA GLU A 77 4.073 10.653 -10.853 1.00 0.00 C ATOM 1208 C GLU A 77 5.088 9.675 -11.451 1.00 0.00 C ATOM 1209 O GLU A 77 5.174 9.531 -12.669 1.00 0.00 O ATOM 1210 CB GLU A 77 3.323 11.404 -11.956 1.00 0.00 C ATOM 1211 CG GLU A 77 2.468 10.447 -12.788 1.00 0.00 C ATOM 1212 CD GLU A 77 1.368 11.203 -13.537 1.00 0.00 C ATOM 1213 OE1 GLU A 77 0.363 11.597 -12.929 1.00 0.00 O ATOM 1214 OE2 GLU A 77 1.588 11.377 -14.796 1.00 0.00 O ATOM 0 H GLU A 77 4.436 11.513 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 77 3.340 10.083 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.689 12.171 -11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.036 11.915 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.099 9.916 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.020 9.696 -12.138 1.00 0.00 H new ATOM 1222 N ARG A 78 5.831 9.030 -10.564 1.00 0.00 N ATOM 1223 CA ARG A 78 6.835 8.068 -10.988 1.00 0.00 C ATOM 1224 C ARG A 78 6.989 6.964 -9.940 1.00 0.00 C ATOM 1225 O ARG A 78 6.682 7.170 -8.767 1.00 0.00 O ATOM 1226 CB ARG A 78 8.189 8.747 -11.205 1.00 0.00 C ATOM 1227 CG ARG A 78 8.012 10.147 -11.796 1.00 0.00 C ATOM 1228 CD ARG A 78 9.336 10.914 -11.793 1.00 0.00 C ATOM 1229 NE ARG A 78 10.198 10.441 -12.900 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.360 11.026 -13.258 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.810 12.115 -12.599 1.00 0.00 N ATOM 1232 NH2 ARG A 78 12.049 10.518 -14.262 1.00 0.00 N ATOM 0 H ARG A 78 5.758 9.154 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 78 6.502 7.634 -11.931 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.723 8.813 -10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.801 8.141 -11.873 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.634 10.070 -12.816 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.267 10.697 -11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.147 11.982 -11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.845 10.774 -10.839 1.00 0.00 H new ATOM 0 HE ARG A 78 9.894 9.621 -13.425 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.271 12.501 -11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.689 12.551 -12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.701 9.695 -14.755 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.929 10.948 -14.546 1.00 0.00 H new ATOM 1245 N TYR A 79 7.463 5.816 -10.401 1.00 0.00 N ATOM 1246 CA TYR A 79 7.661 4.679 -9.518 1.00 0.00 C ATOM 1247 C TYR A 79 9.148 4.456 -9.235 1.00 0.00 C ATOM 1248 O TYR A 79 9.948 4.338 -10.162 1.00 0.00 O ATOM 1249 CB TYR A 79 7.108 3.464 -10.265 1.00 0.00 C ATOM 1250 CG TYR A 79 5.643 3.152 -9.949 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.781 4.172 -9.603 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.186 1.853 -10.012 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.403 3.879 -9.305 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.808 1.559 -9.715 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.984 2.587 -9.377 1.00 0.00 C ATOM 1256 OH TYR A 79 1.682 2.310 -9.096 1.00 0.00 O ATOM 0 H TYR A 79 7.716 5.649 -11.375 1.00 0.00 H new ATOM 0 HA TYR A 79 7.164 4.844 -8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.210 3.632 -11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.715 2.593 -10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.139 5.190 -9.556 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.862 1.056 -10.284 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.718 4.667 -9.031 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.437 0.546 -9.760 1.00 0.00 H new ATOM 0 HH TYR A 79 1.626 1.464 -8.605 1.00 0.00 H new ATOM 1266 N MET A 80 9.473 4.406 -7.953 1.00 0.00 N ATOM 1267 CA MET A 80 10.850 4.198 -7.536 1.00 0.00 C ATOM 1268 C MET A 80 11.095 2.736 -7.160 1.00 0.00 C ATOM 1269 O MET A 80 10.484 2.221 -6.224 1.00 0.00 O ATOM 1270 CB MET A 80 11.160 5.094 -6.335 1.00 0.00 C ATOM 1271 CG MET A 80 12.633 4.980 -5.933 1.00 0.00 C ATOM 1272 SD MET A 80 13.238 6.567 -5.381 1.00 0.00 S ATOM 1273 CE MET A 80 14.785 6.632 -6.268 1.00 0.00 C ATOM 0 H MET A 80 8.806 4.506 -7.187 1.00 0.00 H new ATOM 0 HA MET A 80 11.505 4.453 -8.369 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.925 6.130 -6.579 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.527 4.813 -5.494 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.746 4.242 -5.139 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.224 4.630 -6.780 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.298 7.566 -6.037 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.411 5.791 -5.970 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.592 6.579 -7.340 1.00 0.00 H new ATOM 1283 N ASP A 81 11.987 2.107 -7.910 1.00 0.00 N ATOM 1284 CA ASP A 81 12.320 0.714 -7.668 1.00 0.00 C ATOM 1285 C ASP A 81 13.409 0.633 -6.595 1.00 0.00 C ATOM 1286 O ASP A 81 13.759 1.642 -5.983 1.00 0.00 O ATOM 1287 CB ASP A 81 12.856 0.046 -8.936 1.00 0.00 C ATOM 1288 CG ASP A 81 14.251 0.502 -9.368 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.017 1.058 -8.566 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.546 0.263 -10.600 1.00 0.00 O ATOM 0 H ASP A 81 12.490 2.537 -8.686 1.00 0.00 H new ATOM 0 HA ASP A 81 11.413 0.202 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.875 -1.033 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.159 0.238 -9.752 1.00 0.00 H new ATOM 1296 N ASN A 82 13.916 -0.575 -6.401 1.00 0.00 N ATOM 1297 CA ASN A 82 14.959 -0.800 -5.415 1.00 0.00 C ATOM 1298 C ASN A 82 16.268 -1.136 -6.131 1.00 0.00 C ATOM 1299 O ASN A 82 17.299 -1.331 -5.487 1.00 0.00 O ATOM 1300 CB ASN A 82 14.606 -1.974 -4.498 1.00 0.00 C ATOM 1301 CG ASN A 82 15.255 -1.810 -3.123 1.00 0.00 C ATOM 1302 OD1 ASN A 82 14.832 -1.017 -2.299 1.00 0.00 O ATOM 1303 ND2 ASN A 82 16.304 -2.603 -2.921 1.00 0.00 N ATOM 0 H ASN A 82 13.624 -1.409 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 82 15.060 0.106 -4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.524 -2.041 -4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.939 -2.907 -4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.806 -2.569 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 82 16.607 -3.245 -3.654 1.00 0.00 H new ATOM 1310 N ASN A 83 16.186 -1.192 -7.451 1.00 0.00 N ATOM 1311 CA ASN A 83 17.352 -1.501 -8.261 1.00 0.00 C ATOM 1312 C ASN A 83 18.209 -0.242 -8.414 1.00 0.00 C ATOM 1313 O ASN A 83 19.290 -0.290 -8.999 1.00 0.00 O ATOM 1314 CB ASN A 83 16.944 -1.966 -9.660 1.00 0.00 C ATOM 1315 CG ASN A 83 17.959 -2.964 -10.223 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.710 -3.600 -9.502 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.938 -3.065 -11.549 1.00 0.00 N ATOM 0 H ASN A 83 15.330 -1.029 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 83 17.906 -2.297 -7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.958 -2.428 -9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.867 -1.106 -10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.577 -3.705 -12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.283 -2.503 -12.093 1.00 0.00 H new ATOM 1324 N SER A 84 17.695 0.853 -7.877 1.00 0.00 N ATOM 1325 CA SER A 84 18.399 2.122 -7.946 1.00 0.00 C ATOM 1326 C SER A 84 17.989 2.881 -9.210 1.00 0.00 C ATOM 1327 O SER A 84 18.813 3.553 -9.829 1.00 0.00 O ATOM 1328 CB SER A 84 19.915 1.914 -7.921 1.00 0.00 C ATOM 1329 OG SER A 84 20.592 2.993 -7.285 1.00 0.00 O ATOM 0 H SER A 84 16.799 0.888 -7.392 1.00 0.00 H new ATOM 0 HA SER A 84 18.126 2.712 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.145 0.985 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.283 1.807 -8.941 1.00 0.00 H new ATOM 0 HG SER A 84 21.557 2.821 -7.288 1.00 0.00 H new ATOM 1335 N ARG A 85 16.717 2.748 -9.554 1.00 0.00 N ATOM 1336 CA ARG A 85 16.187 3.413 -10.732 1.00 0.00 C ATOM 1337 C ARG A 85 14.745 3.861 -10.487 1.00 0.00 C ATOM 1338 O ARG A 85 14.005 3.208 -9.753 1.00 0.00 O ATOM 1339 CB ARG A 85 16.227 2.488 -11.951 1.00 0.00 C ATOM 1340 CG ARG A 85 17.502 1.643 -11.957 1.00 0.00 C ATOM 1341 CD ARG A 85 17.908 1.273 -13.385 1.00 0.00 C ATOM 1342 NE ARG A 85 19.366 1.458 -13.560 1.00 0.00 N ATOM 1343 CZ ARG A 85 20.292 0.533 -13.229 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.918 -0.652 -12.701 1.00 0.00 N ATOM 1345 NH2 ARG A 85 21.568 0.804 -13.429 1.00 0.00 N ATOM 0 H ARG A 85 16.038 2.189 -9.038 1.00 0.00 H new ATOM 0 HA ARG A 85 16.812 4.284 -10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.354 1.835 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.175 3.081 -12.864 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.310 2.194 -11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.344 0.736 -11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.637 0.238 -13.592 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.366 1.894 -14.099 1.00 0.00 H new ATOM 0 HE ARG A 85 19.692 2.340 -13.956 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.930 -0.854 -12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.624 -1.346 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.842 1.702 -13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 85 22.280 0.116 -13.184 1.00 0.00 H new ATOM 1358 N LEU A 86 14.389 4.970 -11.116 1.00 0.00 N ATOM 1359 CA LEU A 86 13.048 5.513 -10.975 1.00 0.00 C ATOM 1360 C LEU A 86 12.333 5.452 -12.326 1.00 0.00 C ATOM 1361 O LEU A 86 12.789 6.049 -13.301 1.00 0.00 O ATOM 1362 CB LEU A 86 13.098 6.917 -10.368 1.00 0.00 C ATOM 1363 CG LEU A 86 11.904 7.316 -9.500 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.112 8.700 -8.883 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.597 7.231 -10.292 1.00 0.00 C ATOM 0 H LEU A 86 15.005 5.508 -11.725 1.00 0.00 H new ATOM 0 HA LEU A 86 12.465 4.911 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.003 6.999 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.189 7.639 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 86 11.828 6.606 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.248 8.959 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.007 8.690 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.229 9.438 -9.676 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.764 7.520 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.646 7.903 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.449 6.209 -10.641 1.00 0.00 H new ATOM 1377 N TRP A 87 11.225 4.727 -12.342 1.00 0.00 N ATOM 1378 CA TRP A 87 10.444 4.580 -13.558 1.00 0.00 C ATOM 1379 C TRP A 87 9.390 5.690 -13.580 1.00 0.00 C ATOM 1380 O TRP A 87 8.836 6.045 -12.540 1.00 0.00 O ATOM 1381 CB TRP A 87 9.836 3.178 -13.655 1.00 0.00 C ATOM 1382 CG TRP A 87 10.870 2.051 -13.641 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.908 1.894 -12.808 1.00 0.00 C ATOM 1384 CD2 TRP A 87 10.923 0.922 -14.538 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.624 0.751 -13.102 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.006 0.141 -14.187 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.084 0.572 -15.610 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.349 -1.039 -14.857 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.441 -0.610 -16.270 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.527 -1.408 -15.929 1.00 0.00 C ATOM 0 H TRP A 87 10.849 4.235 -11.532 1.00 0.00 H new ATOM 0 HA TRP A 87 11.079 4.684 -14.438 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.145 3.034 -12.824 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.251 3.109 -14.572 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.153 2.576 -12.007 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.454 0.416 -12.613 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.232 1.168 -15.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.202 -1.633 -14.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.829 -0.924 -17.103 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.736 -2.308 -16.488 1.00 0.00 H new ATOM 1401 N GLN A 88 9.146 6.207 -14.775 1.00 0.00 N ATOM 1402 CA GLN A 88 8.169 7.269 -14.946 1.00 0.00 C ATOM 1403 C GLN A 88 6.829 6.688 -15.401 1.00 0.00 C ATOM 1404 O GLN A 88 6.763 5.992 -16.414 1.00 0.00 O ATOM 1405 CB GLN A 88 8.673 8.325 -15.931 1.00 0.00 C ATOM 1406 CG GLN A 88 7.517 9.174 -16.462 1.00 0.00 C ATOM 1407 CD GLN A 88 7.947 10.631 -16.648 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.121 10.953 -16.728 1.00 0.00 O ATOM 1409 NE2 GLN A 88 6.935 11.491 -16.712 1.00 0.00 N ATOM 0 H GLN A 88 9.608 5.910 -15.635 1.00 0.00 H new ATOM 0 HA GLN A 88 8.022 7.760 -13.984 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.404 8.967 -15.439 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.183 7.838 -16.762 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.171 8.769 -17.413 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.677 9.125 -15.769 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.975 11.155 -16.638 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.119 12.487 -16.835 1.00 0.00 H new ATOM 1418 N ILE A 89 5.794 6.995 -14.633 1.00 0.00 N ATOM 1419 CA ILE A 89 4.460 6.513 -14.946 1.00 0.00 C ATOM 1420 C ILE A 89 4.020 7.084 -16.295 1.00 0.00 C ATOM 1421 O ILE A 89 3.379 8.133 -16.351 1.00 0.00 O ATOM 1422 CB ILE A 89 3.495 6.827 -13.802 1.00 0.00 C ATOM 1423 CG1 ILE A 89 3.959 6.175 -12.498 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.064 6.425 -14.166 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.742 4.661 -12.535 1.00 0.00 C ATOM 0 H ILE A 89 5.853 7.572 -13.794 1.00 0.00 H new ATOM 0 HA ILE A 89 4.460 5.427 -15.043 1.00 0.00 H new ATOM 0 HB ILE A 89 3.496 7.905 -13.641 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.015 6.391 -12.335 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.413 6.604 -11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.398 6.659 -13.335 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.746 6.974 -15.052 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.027 5.355 -14.370 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.080 4.222 -11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.682 4.449 -12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.309 4.232 -13.361 1.00 0.00 H new ATOM 1437 N GLN A 90 4.382 6.369 -17.351 1.00 0.00 N ATOM 1438 CA GLN A 90 4.032 6.791 -18.697 1.00 0.00 C ATOM 1439 C GLN A 90 2.546 7.150 -18.771 1.00 0.00 C ATOM 1440 O GLN A 90 2.181 8.190 -19.315 1.00 0.00 O ATOM 1441 CB GLN A 90 4.387 5.711 -19.720 1.00 0.00 C ATOM 1442 CG GLN A 90 5.556 6.156 -20.602 1.00 0.00 C ATOM 1443 CD GLN A 90 5.144 7.312 -21.515 1.00 0.00 C ATOM 1444 OE1 GLN A 90 5.565 8.446 -21.351 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.302 6.965 -22.484 1.00 0.00 N ATOM 0 H GLN A 90 4.914 5.500 -17.301 1.00 0.00 H new ATOM 0 HA GLN A 90 4.613 7.680 -18.941 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.647 4.787 -19.204 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.519 5.495 -20.342 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.393 6.463 -19.975 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.901 5.316 -21.205 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.989 5.998 -22.565 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.970 7.666 -23.146 1.00 0.00 H new ATOM 1454 N HIS A 91 1.729 6.267 -18.216 1.00 0.00 N ATOM 1455 CA HIS A 91 0.291 6.476 -18.212 1.00 0.00 C ATOM 1456 C HIS A 91 -0.382 5.403 -17.355 1.00 0.00 C ATOM 1457 O HIS A 91 0.063 4.257 -17.327 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.254 6.523 -19.641 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.854 5.220 -20.113 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.747 4.381 -19.513 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.542 4.649 -21.334 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.970 3.356 -20.326 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.224 3.520 -21.455 1.00 0.00 N flip ATOM 0 H HIS A 91 2.036 5.405 -17.766 1.00 0.00 H new ATOM 0 HA HIS A 91 0.061 7.443 -17.765 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.012 7.304 -19.704 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.553 6.806 -20.317 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.142 5.055 -22.065 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.634 2.528 -20.126 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.196 2.885 -22.253 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.445 5.812 -16.677 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.184 4.899 -15.822 1.00 0.00 C ATOM 1473 C HIS A 92 -3.684 5.161 -15.967 1.00 0.00 C ATOM 1474 O HIS A 92 -4.180 6.202 -15.536 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.701 5.001 -14.374 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.422 4.077 -13.420 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.520 2.718 -13.398 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.151 4.539 -12.338 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.266 2.367 -12.358 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.659 3.495 -11.699 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.812 6.763 -16.703 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.999 3.871 -16.134 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.634 4.780 -14.341 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.825 6.029 -14.032 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.283 5.575 -12.061 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.520 1.355 -12.079 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.241 3.529 -10.862 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.365 4.201 -16.575 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.798 4.316 -16.782 1.00 0.00 C ATOM 1490 C LEU A 93 -6.445 2.940 -16.611 1.00 0.00 C ATOM 1491 O LEU A 93 -5.798 1.998 -16.156 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.093 4.971 -18.132 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.022 4.798 -19.211 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.641 4.332 -20.530 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.206 6.082 -19.382 1.00 0.00 C ATOM 0 H LEU A 93 -3.950 3.340 -16.931 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.240 4.972 -16.032 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.031 4.567 -18.512 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.248 6.038 -17.970 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.333 4.018 -18.887 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.858 4.217 -21.279 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.142 3.376 -20.379 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.365 5.071 -20.873 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.451 5.933 -20.154 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.868 6.898 -19.673 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.717 6.330 -18.440 1.00 0.00 H new ATOM 1507 N MET A 94 -7.714 2.867 -16.986 1.00 0.00 N ATOM 1508 CA MET A 94 -8.455 1.621 -16.882 1.00 0.00 C ATOM 1509 C MET A 94 -9.282 1.368 -18.144 1.00 0.00 C ATOM 1510 O MET A 94 -9.982 2.260 -18.621 1.00 0.00 O ATOM 1511 CB MET A 94 -9.382 1.680 -15.667 1.00 0.00 C ATOM 1512 CG MET A 94 -10.593 0.764 -15.857 1.00 0.00 C ATOM 1513 SD MET A 94 -11.208 0.227 -14.269 1.00 0.00 S ATOM 1514 CE MET A 94 -10.131 -1.167 -13.975 1.00 0.00 C ATOM 0 H MET A 94 -8.248 3.650 -17.362 1.00 0.00 H new ATOM 0 HA MET A 94 -7.743 0.804 -16.768 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.834 1.384 -14.772 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.718 2.705 -15.511 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.377 1.292 -16.400 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.314 -0.101 -16.460 1.00 0.00 H new ATOM 0 HE1 MET A 94 -9.881 -1.216 -12.915 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.636 -2.086 -14.272 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.218 -1.050 -14.558 1.00 0.00 H new ATOM 1524 N VAL A 95 -9.173 0.148 -18.648 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.902 -0.234 -19.847 1.00 0.00 C ATOM 1526 C VAL A 95 -10.444 -1.655 -19.677 1.00 0.00 C ATOM 1527 O VAL A 95 -9.750 -2.531 -19.163 1.00 0.00 O ATOM 1528 CB VAL A 95 -9.003 -0.079 -21.075 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -9.665 -0.680 -22.317 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.638 1.388 -21.306 1.00 0.00 C ATOM 0 H VAL A 95 -8.592 -0.589 -18.249 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.758 0.423 -20.002 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.081 -0.628 -20.886 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.006 -0.557 -23.176 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.852 -1.741 -22.152 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.609 -0.171 -22.508 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.999 1.470 -22.185 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.547 1.969 -21.463 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.108 1.773 -20.435 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.679 -1.839 -20.120 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.322 -3.138 -20.024 1.00 0.00 C ATOM 1542 C ARG A 96 -12.159 -3.707 -18.613 1.00 0.00 C ATOM 1543 O ARG A 96 -11.916 -4.902 -18.447 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.732 -4.122 -21.035 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.199 -3.796 -22.455 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.755 -5.041 -23.149 1.00 0.00 C ATOM 1547 NE ARG A 96 -13.783 -4.652 -24.140 1.00 0.00 N ATOM 1548 CZ ARG A 96 -13.509 -4.284 -25.410 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -12.234 -4.252 -25.853 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -14.506 -3.955 -26.211 1.00 0.00 N ATOM 0 H ARG A 96 -12.251 -1.110 -20.546 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.381 -3.001 -20.245 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.644 -4.087 -20.989 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.029 -5.138 -20.775 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.965 -3.022 -22.421 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.366 -3.395 -23.032 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.948 -5.583 -23.643 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.187 -5.716 -22.411 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.759 -4.663 -23.845 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.470 -4.507 -25.227 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.035 -3.973 -26.814 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.466 -3.981 -25.868 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.316 -3.675 -27.173 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.300 -2.826 -17.634 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.170 -3.226 -16.243 1.00 0.00 C ATOM 1565 C GLY A 97 -10.742 -3.674 -15.932 1.00 0.00 C ATOM 1566 O GLY A 97 -10.498 -4.327 -14.918 1.00 0.00 O ATOM 0 H GLY A 97 -12.503 -1.837 -17.776 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.443 -2.393 -15.595 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.864 -4.038 -16.028 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.832 -3.306 -16.823 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.434 -3.661 -16.656 1.00 0.00 C ATOM 1572 C VAL A 98 -7.601 -2.385 -16.520 1.00 0.00 C ATOM 1573 O VAL A 98 -7.786 -1.434 -17.280 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.978 -4.551 -17.814 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.501 -4.318 -18.136 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.246 -6.027 -17.509 1.00 0.00 C ATOM 0 H VAL A 98 -10.037 -2.765 -17.663 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.294 -4.240 -15.743 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.560 -4.279 -18.695 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.203 -4.963 -18.963 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.350 -3.276 -18.416 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.897 -4.549 -17.259 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.913 -6.638 -18.348 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.702 -6.317 -16.610 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.314 -6.178 -17.352 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.701 -2.403 -15.548 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.841 -1.259 -15.302 1.00 0.00 C ATOM 1588 C GLN A 99 -4.486 -1.458 -15.985 1.00 0.00 C ATOM 1589 O GLN A 99 -3.764 -2.407 -15.677 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.667 -1.015 -13.801 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.710 -0.022 -13.284 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.309 -0.499 -11.959 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -6.780 -1.368 -11.285 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.439 0.117 -11.623 1.00 0.00 N ATOM 0 H GLN A 99 -6.549 -3.193 -14.921 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.315 -0.375 -15.728 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.759 -1.958 -13.262 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.666 -0.632 -13.605 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.250 0.957 -13.148 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.502 0.098 -14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.829 0.836 -12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.916 -0.130 -10.756 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.180 -0.550 -16.899 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.926 -0.613 -17.628 1.00 0.00 C ATOM 1605 C GLU A 100 -1.998 0.521 -17.190 1.00 0.00 C ATOM 1606 O GLU A 100 -2.206 1.676 -17.559 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.165 -0.572 -19.139 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.853 -0.732 -19.908 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.114 -0.969 -21.397 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.823 -0.093 -22.225 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.640 -2.112 -21.682 1.00 0.00 O ATOM 0 H GLU A 100 -4.780 0.235 -17.152 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.443 -1.562 -17.395 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.856 -1.366 -19.423 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.636 0.373 -19.410 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.242 0.161 -19.780 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.286 -1.568 -19.497 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.994 0.153 -16.407 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.034 1.126 -15.915 1.00 0.00 C ATOM 1621 C LEU A 101 1.248 1.036 -16.744 1.00 0.00 C ATOM 1622 O LEU A 101 1.852 -0.031 -16.846 1.00 0.00 O ATOM 1623 CB LEU A 101 0.191 0.942 -14.412 1.00 0.00 C ATOM 1624 CG LEU A 101 0.526 2.210 -13.624 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.509 1.941 -12.118 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.857 2.807 -14.085 1.00 0.00 C ATOM 0 H LEU A 101 -0.825 -0.805 -16.101 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.421 2.138 -16.035 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.707 0.497 -13.982 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.000 0.226 -14.271 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.247 2.952 -13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.750 2.859 -11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.482 1.597 -11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.246 1.175 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.071 3.707 -13.509 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.654 2.080 -13.932 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.795 3.060 -15.143 1.00 0.00 H new ATOM 1638 N LEU A 102 1.626 2.170 -17.316 1.00 0.00 N ATOM 1639 CA LEU A 102 2.825 2.233 -18.133 1.00 0.00 C ATOM 1640 C LEU A 102 3.981 2.779 -17.293 1.00 0.00 C ATOM 1641 O LEU A 102 3.872 3.854 -16.705 1.00 0.00 O ATOM 1642 CB LEU A 102 2.561 3.033 -19.410 1.00 0.00 C ATOM 1643 CG LEU A 102 1.357 2.590 -20.243 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.588 2.861 -21.731 1.00 0.00 C ATOM 1645 CD2 LEU A 102 1.014 1.123 -19.975 1.00 0.00 C ATOM 0 H LEU A 102 1.122 3.053 -17.229 1.00 0.00 H new ATOM 0 HA LEU A 102 3.114 1.235 -18.463 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.424 4.079 -19.137 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.451 2.981 -20.038 1.00 0.00 H new ATOM 0 HG LEU A 102 0.495 3.184 -19.938 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.716 2.536 -22.300 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.746 3.928 -21.886 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.467 2.312 -22.069 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.155 0.834 -20.580 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.867 0.497 -20.234 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.775 0.992 -18.920 1.00 0.00 H new ATOM 1657 N LEU A 103 5.062 2.014 -17.265 1.00 0.00 N ATOM 1658 CA LEU A 103 6.238 2.408 -16.507 1.00 0.00 C ATOM 1659 C LEU A 103 7.416 2.601 -17.464 1.00 0.00 C ATOM 1660 O LEU A 103 7.762 1.694 -18.219 1.00 0.00 O ATOM 1661 CB LEU A 103 6.515 1.404 -15.386 1.00 0.00 C ATOM 1662 CG LEU A 103 5.616 1.510 -14.153 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.592 0.191 -13.378 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.033 2.687 -13.270 1.00 0.00 C ATOM 0 H LEU A 103 5.149 1.123 -17.755 1.00 0.00 H new ATOM 0 HA LEU A 103 6.069 3.364 -16.012 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.420 0.398 -15.795 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.551 1.522 -15.067 1.00 0.00 H new ATOM 0 HG LEU A 103 4.597 1.705 -14.488 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.946 0.293 -12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.211 -0.602 -14.021 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.602 -0.059 -13.054 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.378 2.740 -12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.063 2.548 -12.941 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.956 3.614 -13.839 1.00 0.00 H new ATOM 1676 N LYS A 104 7.998 3.790 -17.404 1.00 0.00 N ATOM 1677 CA LYS A 104 9.130 4.113 -18.255 1.00 0.00 C ATOM 1678 C LYS A 104 10.380 4.288 -17.390 1.00 0.00 C ATOM 1679 O LYS A 104 10.366 5.044 -16.419 1.00 0.00 O ATOM 1680 CB LYS A 104 8.813 5.327 -19.130 1.00 0.00 C ATOM 1681 CG LYS A 104 10.000 5.683 -20.027 1.00 0.00 C ATOM 1682 CD LYS A 104 9.726 5.292 -21.481 1.00 0.00 C ATOM 1683 CE LYS A 104 9.438 6.529 -22.335 1.00 0.00 C ATOM 1684 NZ LYS A 104 8.006 6.583 -22.705 1.00 0.00 N ATOM 0 H LYS A 104 7.706 4.541 -16.779 1.00 0.00 H new ATOM 0 HA LYS A 104 9.332 3.295 -18.946 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.938 5.117 -19.745 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.562 6.179 -18.498 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.198 6.753 -19.966 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.895 5.172 -19.672 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.585 4.758 -21.886 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.877 4.610 -21.524 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.711 7.429 -21.785 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.052 6.507 -23.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.913 6.548 -23.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.508 5.772 -22.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.589 7.467 -22.350 1.00 0.00 H new ATOM 1697 N LEU A 105 11.431 3.578 -17.773 1.00 0.00 N ATOM 1698 CA LEU A 105 12.686 3.646 -17.044 1.00 0.00 C ATOM 1699 C LEU A 105 13.707 4.432 -17.868 1.00 0.00 C ATOM 1700 O LEU A 105 14.036 4.045 -18.989 1.00 0.00 O ATOM 1701 CB LEU A 105 13.156 2.242 -16.658 1.00 0.00 C ATOM 1702 CG LEU A 105 14.430 2.171 -15.812 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.290 3.010 -14.540 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.802 0.720 -15.503 1.00 0.00 C ATOM 0 H LEU A 105 11.439 2.953 -18.579 1.00 0.00 H new ATOM 0 HA LEU A 105 12.554 4.183 -16.105 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.352 1.749 -16.111 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.318 1.670 -17.572 1.00 0.00 H new ATOM 0 HG LEU A 105 15.249 2.597 -16.391 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.208 2.943 -13.957 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.106 4.050 -14.809 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.455 2.636 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.710 0.698 -14.901 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.990 0.246 -14.952 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.971 0.181 -16.435 1.00 0.00 H new ATOM 1716 N LEU A 106 14.180 5.522 -17.282 1.00 0.00 N ATOM 1717 CA LEU A 106 15.157 6.366 -17.948 1.00 0.00 C ATOM 1718 C LEU A 106 16.565 5.949 -17.516 1.00 0.00 C ATOM 1719 O LEU A 106 16.767 5.518 -16.380 1.00 0.00 O ATOM 1720 CB LEU A 106 14.849 7.843 -17.697 1.00 0.00 C ATOM 1721 CG LEU A 106 13.666 8.424 -18.475 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.735 8.027 -19.951 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.337 8.020 -17.834 1.00 0.00 C ATOM 0 H LEU A 106 13.905 5.840 -16.353 1.00 0.00 H new ATOM 0 HA LEU A 106 15.102 6.232 -19.028 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.659 7.978 -16.632 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.738 8.425 -17.939 1.00 0.00 H new ATOM 0 HG LEU A 106 13.727 9.511 -18.430 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.883 8.452 -20.482 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.660 8.405 -20.387 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.711 6.941 -20.037 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.513 8.446 -18.406 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.251 6.933 -17.828 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.299 8.393 -16.810 1.00 0.00 H new ATOM 1735 N PRO A 107 17.526 6.096 -18.466 1.00 0.00 N ATOM 1736 CA PRO A 107 18.908 5.741 -18.195 1.00 0.00 C ATOM 1737 C PRO A 107 19.579 6.789 -17.306 1.00 0.00 C ATOM 1738 O PRO A 107 19.479 7.986 -17.567 1.00 0.00 O ATOM 1739 CB PRO A 107 19.559 5.617 -19.563 1.00 0.00 C ATOM 1740 CG PRO A 107 18.646 6.358 -20.527 1.00 0.00 C ATOM 1741 CD PRO A 107 17.322 6.602 -19.821 1.00 0.00 C ATOM 0 HA PRO A 107 19.001 4.808 -17.639 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.559 6.051 -19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.666 4.571 -19.852 1.00 0.00 H new ATOM 0 HG2 PRO A 107 19.097 7.303 -20.830 1.00 0.00 H new ATOM 0 HG3 PRO A 107 18.493 5.773 -21.434 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.066 7.662 -19.814 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.505 6.080 -20.320 1.00 0.00 H new ATOM 1749 N ASP A 108 20.250 6.300 -16.272 1.00 0.00 N ATOM 1750 CA ASP A 108 20.937 7.179 -15.342 1.00 0.00 C ATOM 1751 C ASP A 108 22.095 7.872 -16.063 1.00 0.00 C ATOM 1752 O ASP A 108 23.245 7.452 -15.946 1.00 0.00 O ATOM 1753 CB ASP A 108 21.517 6.392 -14.165 1.00 0.00 C ATOM 1754 CG ASP A 108 22.144 7.247 -13.062 1.00 0.00 C ATOM 1755 OD1 ASP A 108 21.534 7.477 -12.008 1.00 0.00 O ATOM 1756 OD2 ASP A 108 23.327 7.691 -13.322 1.00 0.00 O ATOM 0 H ASP A 108 20.332 5.306 -16.059 1.00 0.00 H new ATOM 0 HA ASP A 108 20.215 7.905 -14.969 1.00 0.00 H new ATOM 0 HB2 ASP A 108 20.724 5.785 -13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 108 22.273 5.704 -14.544 1.00 0.00 H new ATOM 1762 N ASP A 109 21.751 8.922 -16.795 1.00 0.00 N ATOM 1763 CA ASP A 109 22.748 9.678 -17.535 1.00 0.00 C ATOM 1764 C ASP A 109 22.463 11.173 -17.386 1.00 0.00 C ATOM 1765 O ASP A 109 21.317 11.573 -17.187 1.00 0.00 O ATOM 1766 CB ASP A 109 22.704 9.335 -19.025 1.00 0.00 C ATOM 1767 CG ASP A 109 21.323 8.951 -19.561 1.00 0.00 C ATOM 1768 OD1 ASP A 109 21.192 8.045 -20.397 1.00 0.00 O ATOM 1769 OD2 ASP A 109 20.341 9.634 -19.076 1.00 0.00 O ATOM 0 H ASP A 109 20.796 9.267 -16.891 1.00 0.00 H new ATOM 0 HA ASP A 109 23.729 9.424 -17.135 1.00 0.00 H new ATOM 0 HB2 ASP A 109 23.071 10.192 -19.590 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.392 8.511 -19.213 1.00 0.00 H new ATOM 1775 N ARG A 110 23.526 11.958 -17.485 1.00 0.00 N ATOM 1776 CA ARG A 110 23.405 13.401 -17.364 1.00 0.00 C ATOM 1777 C ARG A 110 24.217 14.095 -18.458 1.00 0.00 C ATOM 1778 O ARG A 110 25.207 13.550 -18.943 1.00 0.00 O ATOM 1779 CB ARG A 110 23.890 13.881 -15.994 1.00 0.00 C ATOM 1780 CG ARG A 110 25.356 13.506 -15.770 1.00 0.00 C ATOM 1781 CD ARG A 110 25.558 12.890 -14.384 1.00 0.00 C ATOM 1782 NE ARG A 110 26.596 11.836 -14.445 1.00 0.00 N ATOM 1783 CZ ARG A 110 27.924 12.080 -14.436 1.00 0.00 C ATOM 1784 NH1 ARG A 110 28.387 13.346 -14.370 1.00 0.00 N ATOM 1785 NH2 ARG A 110 28.762 11.061 -14.495 1.00 0.00 N ATOM 0 H ARG A 110 24.475 11.622 -17.648 1.00 0.00 H new ATOM 0 HA ARG A 110 22.351 13.656 -17.473 1.00 0.00 H new ATOM 0 HB2 ARG A 110 23.772 14.962 -15.921 1.00 0.00 H new ATOM 0 HB3 ARG A 110 23.274 13.439 -15.211 1.00 0.00 H new ATOM 0 HG2 ARG A 110 25.676 12.800 -16.536 1.00 0.00 H new ATOM 0 HG3 ARG A 110 25.982 14.393 -15.873 1.00 0.00 H new ATOM 0 HD2 ARG A 110 25.853 13.662 -13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 110 24.620 12.468 -14.024 1.00 0.00 H new ATOM 0 HE ARG A 110 26.289 10.865 -14.497 1.00 0.00 H new ATOM 0 HH11 ARG A 110 27.732 14.127 -14.326 1.00 0.00 H new ATOM 0 HH12 ARG A 110 29.392 13.522 -14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 110 28.403 10.108 -14.546 1.00 0.00 H new ATOM 0 HH22 ARG A 110 29.768 11.227 -14.489 1.00 0.00 H new ATOM 1798 N SER A 111 23.768 15.290 -18.815 1.00 0.00 N ATOM 1799 CA SER A 111 24.442 16.066 -19.844 1.00 0.00 C ATOM 1800 C SER A 111 23.657 17.347 -20.131 1.00 0.00 C ATOM 1801 O SER A 111 22.447 17.303 -20.350 1.00 0.00 O ATOM 1802 CB SER A 111 24.612 15.249 -21.126 1.00 0.00 C ATOM 1803 OG SER A 111 25.906 15.418 -21.698 1.00 0.00 O ATOM 0 H SER A 111 22.947 15.740 -18.411 1.00 0.00 H new ATOM 0 HA SER A 111 25.435 16.330 -19.479 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.447 14.194 -20.908 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.854 15.548 -21.850 1.00 0.00 H new ATOM 0 HG SER A 111 25.976 14.879 -22.514 1.00 0.00 H new ATOM 1809 N PRO A 112 24.396 18.488 -20.119 1.00 0.00 N ATOM 1810 CA PRO A 112 23.781 19.780 -20.375 1.00 0.00 C ATOM 1811 C PRO A 112 23.471 19.955 -21.863 1.00 0.00 C ATOM 1812 O PRO A 112 24.187 20.663 -22.571 1.00 0.00 O ATOM 1813 CB PRO A 112 24.780 20.801 -19.853 1.00 0.00 C ATOM 1814 CG PRO A 112 26.108 20.070 -19.749 1.00 0.00 C ATOM 1815 CD PRO A 112 25.830 18.580 -19.863 1.00 0.00 C ATOM 0 HA PRO A 112 22.818 19.893 -19.877 1.00 0.00 H new ATOM 0 HB2 PRO A 112 24.855 21.654 -20.528 1.00 0.00 H new ATOM 0 HB3 PRO A 112 24.471 21.189 -18.882 1.00 0.00 H new ATOM 0 HG2 PRO A 112 26.785 20.394 -20.540 1.00 0.00 H new ATOM 0 HG3 PRO A 112 26.595 20.296 -18.800 1.00 0.00 H new ATOM 0 HD2 PRO A 112 26.406 18.131 -20.672 1.00 0.00 H new ATOM 0 HD3 PRO A 112 26.103 18.055 -18.947 1.00 0.00 H new ATOM 1823 N GLY A 113 22.405 19.298 -22.294 1.00 0.00 N ATOM 1824 CA GLY A 113 21.992 19.371 -23.685 1.00 0.00 C ATOM 1825 C GLY A 113 21.235 20.670 -23.965 1.00 0.00 C ATOM 1826 O GLY A 113 21.725 21.757 -23.658 1.00 0.00 O ATOM 0 H GLY A 113 21.814 18.712 -21.704 1.00 0.00 H new ATOM 0 HA2 GLY A 113 22.867 19.310 -24.332 1.00 0.00 H new ATOM 0 HA3 GLY A 113 21.358 18.518 -23.925 1.00 0.00 H new ATOM 1830 N ILE A 114 20.053 20.517 -24.544 1.00 0.00 N ATOM 1831 CA ILE A 114 19.224 21.665 -24.869 1.00 0.00 C ATOM 1832 C ILE A 114 17.784 21.387 -24.438 1.00 0.00 C ATOM 1833 O ILE A 114 17.343 20.239 -24.434 1.00 0.00 O ATOM 1834 CB ILE A 114 19.364 22.024 -26.350 1.00 0.00 C ATOM 1835 CG1 ILE A 114 20.715 22.688 -26.629 1.00 0.00 C ATOM 1836 CG2 ILE A 114 18.192 22.889 -26.818 1.00 0.00 C ATOM 1837 CD1 ILE A 114 20.889 23.952 -25.784 1.00 0.00 C ATOM 0 H ILE A 114 19.650 19.615 -24.796 1.00 0.00 H new ATOM 0 HA ILE A 114 19.558 22.544 -24.318 1.00 0.00 H new ATOM 0 HB ILE A 114 19.334 21.101 -26.929 1.00 0.00 H new ATOM 0 HG12 ILE A 114 21.521 21.987 -26.411 1.00 0.00 H new ATOM 0 HG13 ILE A 114 20.789 22.940 -27.687 1.00 0.00 H new ATOM 0 HG21 ILE A 114 18.316 23.130 -27.874 1.00 0.00 H new ATOM 0 HG22 ILE A 114 17.259 22.344 -26.678 1.00 0.00 H new ATOM 0 HG23 ILE A 114 18.165 23.811 -26.236 1.00 0.00 H new ATOM 0 HD11 ILE A 114 21.857 24.404 -26.001 1.00 0.00 H new ATOM 0 HD12 ILE A 114 20.096 24.661 -26.022 1.00 0.00 H new ATOM 0 HD13 ILE A 114 20.839 23.692 -24.727 1.00 0.00 H new ATOM 1849 N HIS A 115 17.089 22.459 -24.083 1.00 0.00 N ATOM 1850 CA HIS A 115 15.706 22.345 -23.651 1.00 0.00 C ATOM 1851 C HIS A 115 14.876 23.460 -24.290 1.00 0.00 C ATOM 1852 O HIS A 115 15.362 24.574 -24.475 1.00 0.00 O ATOM 1853 CB HIS A 115 15.614 22.338 -22.123 1.00 0.00 C ATOM 1854 CG HIS A 115 14.308 22.872 -21.585 1.00 0.00 C ATOM 1855 ND1 HIS A 115 13.887 24.152 -21.375 1.00 0.00 N flip ATOM 1856 CD2 HIS A 115 13.266 22.049 -21.193 1.00 0.00 C flip ATOM 1857 CE1 HIS A 115 12.655 24.114 -20.884 1.00 0.00 C flip ATOM 1858 NE2 HIS A 115 12.268 22.811 -20.771 1.00 0.00 N flip ATOM 0 H HIS A 115 17.458 23.410 -24.086 1.00 0.00 H new ATOM 0 HA HIS A 115 15.293 21.394 -23.987 1.00 0.00 H new ATOM 0 HB2 HIS A 115 15.753 21.318 -21.765 1.00 0.00 H new ATOM 0 HB3 HIS A 115 16.433 22.932 -21.717 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.267 20.969 -21.226 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.057 24.973 -20.618 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.368 22.481 -20.423 1.00 0.00 H new ATOM 1866 N ARG A 116 13.635 23.119 -24.610 1.00 0.00 N ATOM 1867 CA ARG A 116 12.732 24.076 -25.225 1.00 0.00 C ATOM 1868 C ARG A 116 13.194 24.405 -26.647 1.00 0.00 C ATOM 1869 O ARG A 116 14.391 24.525 -26.901 1.00 0.00 O ATOM 1870 CB ARG A 116 12.660 25.369 -24.408 1.00 0.00 C ATOM 1871 CG ARG A 116 11.213 25.850 -24.274 1.00 0.00 C ATOM 1872 CD ARG A 116 10.786 26.652 -25.504 1.00 0.00 C ATOM 1873 NE ARG A 116 10.660 28.085 -25.158 1.00 0.00 N ATOM 1874 CZ ARG A 116 10.065 29.006 -25.946 1.00 0.00 C ATOM 1875 NH1 ARG A 116 9.535 28.650 -27.134 1.00 0.00 N ATOM 1876 NH2 ARG A 116 10.010 30.260 -25.536 1.00 0.00 N ATOM 0 H ARG A 116 13.235 22.194 -24.455 1.00 0.00 H new ATOM 0 HA ARG A 116 11.741 23.623 -25.257 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.085 25.203 -23.418 1.00 0.00 H new ATOM 0 HB3 ARG A 116 13.261 26.141 -24.888 1.00 0.00 H new ATOM 0 HG2 ARG A 116 10.552 24.993 -24.147 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.112 26.466 -23.381 1.00 0.00 H new ATOM 0 HD2 ARG A 116 11.518 26.526 -26.302 1.00 0.00 H new ATOM 0 HD3 ARG A 116 9.835 26.276 -25.881 1.00 0.00 H new ATOM 0 HE ARG A 116 11.047 28.397 -24.267 1.00 0.00 H new ATOM 0 HH11 ARG A 116 9.582 27.679 -27.443 1.00 0.00 H new ATOM 0 HH12 ARG A 116 9.087 29.352 -27.723 1.00 0.00 H new ATOM 0 HH21 ARG A 116 10.413 30.521 -24.636 1.00 0.00 H new ATOM 0 HH22 ARG A 116 9.564 30.968 -26.119 1.00 0.00 H new ATOM 1889 N ASP A 117 12.220 24.540 -27.535 1.00 0.00 N ATOM 1890 CA ASP A 117 12.511 24.852 -28.923 1.00 0.00 C ATOM 1891 C ASP A 117 13.631 25.894 -28.983 1.00 0.00 C ATOM 1892 O ASP A 117 13.507 26.976 -28.413 1.00 0.00 O ATOM 1893 CB ASP A 117 11.284 25.435 -29.626 1.00 0.00 C ATOM 1894 CG ASP A 117 10.829 24.672 -30.871 1.00 0.00 C ATOM 1895 OD1 ASP A 117 11.580 23.864 -31.436 1.00 0.00 O ATOM 1896 OD2 ASP A 117 9.630 24.941 -31.267 1.00 0.00 O ATOM 0 H ASP A 117 11.228 24.439 -27.320 1.00 0.00 H new ATOM 0 HA ASP A 117 12.806 23.929 -29.421 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.458 25.467 -28.916 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.501 26.465 -29.909 1.00 0.00 H new TER 1902 ASP A 117