USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1069 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 27 LYS NZ :NH3+ -165:sc= 0.348 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot -68:sc= 1.49 USER MOD Set 1.3: A 126 SER OG : rot 101:sc= 0.288 USER MOD Set 2.1: A 49 SER OG : rot 35:sc= 2.05 USER MOD Set 2.2: A 57 TYR OH : rot 30:sc= 1.06 USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.067 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 106:sc= -0.669 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 19:sc= -0.918! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00227 K(o=-0.0023,f=-1.2) USER MOD Single : A 12 SER OG : rot 180:sc= -1.29 USER MOD Single : A 15 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 18 MET CE :methyl -155:sc= -0.189 (180deg=-1.21) USER MOD Single : A 19 ASN : amide:sc=-0.00105 K(o=-0.001,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -179:sc= 0 (180deg=-0.00311) USER MOD Single : A 25 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.4) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 42 SER OG : rot -150:sc= -0.119 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.868 K(o=-0.87,f=-0.005) USER MOD Single : A 59 LYS NZ :NH3+ 139:sc= -0.153 (180deg=-1.02) USER MOD Single : A 60 ASN : amide:sc= -0.658 K(o=-0.66,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.695 X(o=-0.69,f=-1.1!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.694 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.39 K(o=-3.4,f=-1.8) USER MOD Single : A 78 SER OG : rot 34:sc= 0.424 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.099) USER MOD Single : A 92 THR OG1 : rot 105:sc= 0.433 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -101:sc= -1.19 (180deg=-1.45) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.781 K(o=-0.78,f=-1.3) USER MOD Single : A 116 ASN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 118 MET CE :methyl 152:sc= -0.156 (180deg=-1.01) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 130 SER OG : rot 180:sc= -0.351 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 116.005 -25.021 8.012 1.00 0.00 N ATOM 2 CA ALA A 1 115.336 -23.789 7.507 1.00 0.00 C ATOM 3 C ALA A 1 116.239 -23.105 6.485 1.00 0.00 C ATOM 4 O ALA A 1 117.464 -23.184 6.573 1.00 0.00 O ATOM 5 CB ALA A 1 115.062 -22.843 8.678 1.00 0.00 C ATOM 0 H1 ALA A 1 115.971 -25.033 9.051 1.00 0.00 H new ATOM 0 H2 ALA A 1 115.515 -25.859 7.640 1.00 0.00 H new ATOM 0 H3 ALA A 1 116.996 -25.031 7.698 1.00 0.00 H new ATOM 0 HA ALA A 1 114.391 -24.052 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 1 114.573 -21.941 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 1 114.414 -23.338 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.004 -22.575 9.157 1.00 0.00 H new ATOM 13 N THR A 2 115.623 -22.432 5.516 1.00 0.00 N ATOM 14 CA THR A 2 116.371 -21.734 4.474 1.00 0.00 C ATOM 15 C THR A 2 115.977 -20.261 4.436 1.00 0.00 C ATOM 16 O THR A 2 114.807 -19.919 4.603 1.00 0.00 O ATOM 17 CB THR A 2 116.094 -22.372 3.110 1.00 0.00 C ATOM 18 OG1 THR A 2 114.717 -22.231 2.795 1.00 0.00 O ATOM 19 CG2 THR A 2 116.464 -23.856 3.147 1.00 0.00 C ATOM 0 H THR A 2 114.609 -22.355 5.431 1.00 0.00 H new ATOM 0 HA THR A 2 117.434 -21.813 4.700 1.00 0.00 H new ATOM 0 HB THR A 2 116.695 -21.874 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 2 114.608 -21.543 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 2 116.265 -24.305 2.174 1.00 0.00 H new ATOM 0 HG22 THR A 2 117.522 -23.961 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 2 115.869 -24.361 3.908 1.00 0.00 H new ATOM 27 N SER A 3 116.961 -19.393 4.216 1.00 0.00 N ATOM 28 CA SER A 3 116.707 -17.957 4.164 1.00 0.00 C ATOM 29 C SER A 3 117.416 -17.337 2.964 1.00 0.00 C ATOM 30 O SER A 3 118.428 -17.858 2.497 1.00 0.00 O ATOM 31 CB SER A 3 117.203 -17.294 5.450 1.00 0.00 C ATOM 32 OG SER A 3 118.619 -17.394 5.510 1.00 0.00 O ATOM 0 H SER A 3 117.936 -19.657 4.072 1.00 0.00 H new ATOM 0 HA SER A 3 115.634 -17.796 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 116.899 -16.248 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 3 116.755 -17.777 6.319 1.00 0.00 H new ATOM 0 HG SER A 3 118.942 -16.969 6.332 1.00 0.00 H new ATOM 38 N THR A 4 116.869 -16.231 2.468 1.00 0.00 N ATOM 39 CA THR A 4 117.455 -15.535 1.323 1.00 0.00 C ATOM 40 C THR A 4 117.578 -14.044 1.619 1.00 0.00 C ATOM 41 O THR A 4 116.646 -13.421 2.127 1.00 0.00 O ATOM 42 CB THR A 4 116.609 -15.760 0.065 1.00 0.00 C ATOM 43 OG1 THR A 4 117.141 -14.990 -1.002 1.00 0.00 O ATOM 44 CG2 THR A 4 115.155 -15.354 0.316 1.00 0.00 C ATOM 0 H THR A 4 116.023 -15.797 2.838 1.00 0.00 H new ATOM 0 HA THR A 4 118.451 -15.940 1.145 1.00 0.00 H new ATOM 0 HB THR A 4 116.635 -16.819 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 4 116.603 -15.133 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 4 114.569 -15.521 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 4 114.745 -15.953 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 4 115.113 -14.299 0.586 1.00 0.00 H new ATOM 52 N VAL A 5 118.744 -13.477 1.317 1.00 0.00 N ATOM 53 CA VAL A 5 118.985 -12.058 1.570 1.00 0.00 C ATOM 54 C VAL A 5 119.367 -11.361 0.269 1.00 0.00 C ATOM 55 O VAL A 5 120.173 -11.879 -0.501 1.00 0.00 O ATOM 56 CB VAL A 5 120.097 -11.902 2.617 1.00 0.00 C ATOM 57 CG1 VAL A 5 121.404 -12.512 2.100 1.00 0.00 C ATOM 58 CG2 VAL A 5 120.315 -10.418 2.926 1.00 0.00 C ATOM 0 H VAL A 5 119.531 -13.974 0.900 1.00 0.00 H new ATOM 0 HA VAL A 5 118.077 -11.596 1.956 1.00 0.00 H new ATOM 0 HB VAL A 5 119.796 -12.423 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 5 122.183 -12.394 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 5 121.255 -13.572 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 5 121.705 -12.004 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 5 121.105 -10.313 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 5 120.603 -9.895 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 5 119.392 -9.988 3.315 1.00 0.00 H new ATOM 68 N THR A 6 118.778 -10.194 0.026 1.00 0.00 N ATOM 69 CA THR A 6 119.028 -9.469 -1.215 1.00 0.00 C ATOM 70 C THR A 6 119.122 -7.964 -0.971 1.00 0.00 C ATOM 71 O THR A 6 118.668 -7.458 0.054 1.00 0.00 O ATOM 72 CB THR A 6 117.916 -9.778 -2.228 1.00 0.00 C ATOM 73 OG1 THR A 6 118.229 -9.173 -3.474 1.00 0.00 O ATOM 74 CG2 THR A 6 116.564 -9.259 -1.731 1.00 0.00 C ATOM 0 H THR A 6 118.130 -9.734 0.665 1.00 0.00 H new ATOM 0 HA THR A 6 119.986 -9.799 -1.618 1.00 0.00 H new ATOM 0 HB THR A 6 117.847 -10.859 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 6 119.185 -8.958 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 6 115.793 -9.490 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 6 116.317 -9.737 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 6 116.618 -8.180 -1.589 1.00 0.00 H new ATOM 82 N GLY A 7 119.724 -7.263 -1.923 1.00 0.00 N ATOM 83 CA GLY A 7 119.765 -5.807 -1.879 1.00 0.00 C ATOM 84 C GLY A 7 119.533 -5.258 -3.279 1.00 0.00 C ATOM 85 O GLY A 7 119.873 -5.921 -4.260 1.00 0.00 O ATOM 0 H GLY A 7 120.189 -7.676 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 7 119.003 -5.430 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 120.729 -5.470 -1.498 1.00 0.00 H new ATOM 89 N GLY A 8 118.958 -4.061 -3.375 1.00 0.00 N ATOM 90 CA GLY A 8 118.646 -3.501 -4.684 1.00 0.00 C ATOM 91 C GLY A 8 118.617 -1.980 -4.665 1.00 0.00 C ATOM 92 O GLY A 8 118.625 -1.355 -3.605 1.00 0.00 O ATOM 0 H GLY A 8 118.704 -3.473 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 8 119.387 -3.840 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 8 117.679 -3.877 -5.017 1.00 0.00 H new ATOM 96 N TYR A 9 118.544 -1.409 -5.862 1.00 0.00 N ATOM 97 CA TYR A 9 118.500 0.038 -6.035 1.00 0.00 C ATOM 98 C TYR A 9 117.240 0.426 -6.802 1.00 0.00 C ATOM 99 O TYR A 9 116.761 -0.338 -7.644 1.00 0.00 O ATOM 100 CB TYR A 9 119.752 0.515 -6.781 1.00 0.00 C ATOM 101 CG TYR A 9 119.825 0.060 -8.221 1.00 0.00 C ATOM 102 CD1 TYR A 9 120.445 -1.153 -8.544 1.00 0.00 C ATOM 103 CD2 TYR A 9 119.272 0.853 -9.234 1.00 0.00 C ATOM 104 CE1 TYR A 9 120.512 -1.574 -9.877 1.00 0.00 C ATOM 105 CE2 TYR A 9 119.339 0.433 -10.568 1.00 0.00 C ATOM 106 CZ TYR A 9 119.958 -0.781 -10.890 1.00 0.00 C ATOM 107 OH TYR A 9 120.024 -1.195 -12.205 1.00 0.00 O ATOM 0 H TYR A 9 118.514 -1.934 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 9 118.477 0.518 -5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 9 119.785 1.604 -6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 9 120.635 0.156 -6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 9 120.872 -1.765 -7.763 1.00 0.00 H new ATOM 0 HD2 TYR A 9 118.794 1.789 -8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 9 120.991 -2.510 -10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 9 118.913 1.046 -11.349 1.00 0.00 H new ATOM 0 HH TYR A 9 119.591 -0.529 -12.780 1.00 0.00 H new ATOM 117 N ALA A 10 116.661 1.569 -6.447 1.00 0.00 N ATOM 118 CA ALA A 10 115.462 2.049 -7.121 1.00 0.00 C ATOM 119 C ALA A 10 115.526 3.556 -7.347 1.00 0.00 C ATOM 120 O ALA A 10 116.156 4.282 -6.580 1.00 0.00 O ATOM 121 CB ALA A 10 114.227 1.712 -6.284 1.00 0.00 C ATOM 0 H ALA A 10 117.001 2.176 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 10 115.397 1.556 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 10 113.333 2.073 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 10 114.159 0.632 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 10 114.307 2.190 -5.308 1.00 0.00 H new ATOM 127 N GLN A 11 114.865 4.010 -8.408 1.00 0.00 N ATOM 128 CA GLN A 11 114.731 5.438 -8.679 1.00 0.00 C ATOM 129 C GLN A 11 113.265 5.836 -8.556 1.00 0.00 C ATOM 130 O GLN A 11 112.381 5.095 -8.986 1.00 0.00 O ATOM 131 CB GLN A 11 115.237 5.757 -10.086 1.00 0.00 C ATOM 132 CG GLN A 11 116.736 5.457 -10.172 1.00 0.00 C ATOM 133 CD GLN A 11 117.251 5.686 -11.592 1.00 0.00 C ATOM 134 OE1 GLN A 11 116.470 5.732 -12.544 1.00 0.00 O ATOM 135 NE2 GLN A 11 118.531 5.834 -11.792 1.00 0.00 N ATOM 0 H GLN A 11 114.413 3.408 -9.096 1.00 0.00 H new ATOM 0 HA GLN A 11 115.326 5.999 -7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 11 114.694 5.164 -10.822 1.00 0.00 H new ATOM 0 HB3 GLN A 11 115.051 6.805 -10.321 1.00 0.00 H new ATOM 0 HG2 GLN A 11 117.280 6.094 -9.475 1.00 0.00 H new ATOM 0 HG3 GLN A 11 116.923 4.426 -9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 11 119.178 5.796 -11.004 1.00 0.00 H new ATOM 0 HE22 GLN A 11 118.885 5.988 -12.736 1.00 0.00 H new ATOM 144 N SER A 12 113.001 7.003 -7.972 1.00 0.00 N ATOM 145 CA SER A 12 111.626 7.424 -7.721 1.00 0.00 C ATOM 146 C SER A 12 111.263 8.616 -8.594 1.00 0.00 C ATOM 147 O SER A 12 111.950 9.638 -8.574 1.00 0.00 O ATOM 148 CB SER A 12 111.470 7.808 -6.248 1.00 0.00 C ATOM 149 OG SER A 12 110.111 8.133 -5.993 1.00 0.00 O ATOM 0 H SER A 12 113.713 7.667 -7.667 1.00 0.00 H new ATOM 0 HA SER A 12 110.959 6.596 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 111.785 6.983 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 12 112.110 8.658 -6.011 1.00 0.00 H new ATOM 0 HG SER A 12 110.005 8.378 -5.050 1.00 0.00 H new ATOM 155 N ASP A 13 110.174 8.471 -9.344 1.00 0.00 N ATOM 156 CA ASP A 13 109.678 9.545 -10.192 1.00 0.00 C ATOM 157 C ASP A 13 108.498 10.215 -9.507 1.00 0.00 C ATOM 158 O ASP A 13 107.542 9.542 -9.123 1.00 0.00 O ATOM 159 CB ASP A 13 109.242 8.987 -11.551 1.00 0.00 C ATOM 160 CG ASP A 13 108.822 10.118 -12.488 1.00 0.00 C ATOM 161 OD1 ASP A 13 109.344 11.213 -12.351 1.00 0.00 O ATOM 162 OD2 ASP A 13 107.979 9.871 -13.335 1.00 0.00 O ATOM 0 H ASP A 13 109.618 7.616 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 13 110.472 10.274 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.061 8.423 -11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 13 108.413 8.293 -11.416 1.00 0.00 H new ATOM 167 N ALA A 14 108.573 11.530 -9.340 1.00 0.00 N ATOM 168 CA ALA A 14 107.551 12.262 -8.607 1.00 0.00 C ATOM 169 C ALA A 14 106.766 13.165 -9.549 1.00 0.00 C ATOM 170 O ALA A 14 107.268 14.183 -10.025 1.00 0.00 O ATOM 171 CB ALA A 14 108.212 13.103 -7.514 1.00 0.00 C ATOM 0 H ALA A 14 109.330 12.109 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 14 106.862 11.550 -8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 14 107.447 13.652 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.753 12.450 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 14 108.908 13.808 -7.968 1.00 0.00 H new ATOM 177 N GLN A 15 105.527 12.772 -9.807 1.00 0.00 N ATOM 178 CA GLN A 15 104.624 13.583 -10.612 1.00 0.00 C ATOM 179 C GLN A 15 103.904 14.588 -9.720 1.00 0.00 C ATOM 180 O GLN A 15 103.204 14.208 -8.780 1.00 0.00 O ATOM 181 CB GLN A 15 103.599 12.691 -11.315 1.00 0.00 C ATOM 182 CG GLN A 15 104.316 11.776 -12.316 1.00 0.00 C ATOM 183 CD GLN A 15 103.350 10.942 -13.177 1.00 0.00 C ATOM 184 OE1 GLN A 15 103.812 10.207 -14.050 1.00 0.00 O ATOM 185 NE2 GLN A 15 102.050 10.984 -13.007 1.00 0.00 N ATOM 0 H GLN A 15 105.124 11.897 -9.471 1.00 0.00 H new ATOM 0 HA GLN A 15 105.204 14.117 -11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 15 103.059 12.092 -10.582 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.861 13.305 -11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 15 104.942 12.384 -12.969 1.00 0.00 H new ATOM 0 HG3 GLN A 15 104.980 11.104 -11.773 1.00 0.00 H new ATOM 0 HE21 GLN A 15 101.649 11.587 -12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 15 101.440 10.414 -13.593 1.00 0.00 H new ATOM 194 N GLY A 16 104.073 15.864 -10.049 1.00 0.00 N ATOM 195 CA GLY A 16 103.549 16.956 -9.229 1.00 0.00 C ATOM 196 C GLY A 16 104.575 17.476 -8.210 1.00 0.00 C ATOM 197 O GLY A 16 104.386 18.550 -7.637 1.00 0.00 O ATOM 0 H GLY A 16 104.572 16.171 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.239 17.776 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.659 16.614 -8.701 1.00 0.00 H new ATOM 201 N GLN A 17 105.655 16.725 -7.979 1.00 0.00 N ATOM 202 CA GLN A 17 106.762 17.192 -7.150 1.00 0.00 C ATOM 203 C GLN A 17 108.024 17.303 -8.003 1.00 0.00 C ATOM 204 O GLN A 17 108.165 16.594 -9.000 1.00 0.00 O ATOM 205 CB GLN A 17 106.988 16.228 -5.983 1.00 0.00 C ATOM 206 CG GLN A 17 108.047 16.797 -5.033 1.00 0.00 C ATOM 207 CD GLN A 17 108.235 15.890 -3.817 1.00 0.00 C ATOM 208 OE1 GLN A 17 107.482 14.936 -3.613 1.00 0.00 O ATOM 209 NE2 GLN A 17 109.211 16.136 -2.986 1.00 0.00 N ATOM 0 H GLN A 17 105.784 15.787 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 17 106.521 18.174 -6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 17 106.053 16.069 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 17 107.309 15.257 -6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 17 108.994 16.905 -5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 17 107.750 17.793 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 17 109.836 16.925 -3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 17 109.349 15.539 -2.170 1.00 0.00 H new ATOM 218 N MET A 18 108.937 18.186 -7.614 1.00 0.00 N ATOM 219 CA MET A 18 110.158 18.393 -8.387 1.00 0.00 C ATOM 220 C MET A 18 111.269 17.456 -7.918 1.00 0.00 C ATOM 221 O MET A 18 111.225 16.931 -6.806 1.00 0.00 O ATOM 222 CB MET A 18 110.629 19.844 -8.240 1.00 0.00 C ATOM 223 CG MET A 18 109.546 20.814 -8.727 1.00 0.00 C ATOM 224 SD MET A 18 109.134 20.493 -10.462 1.00 0.00 S ATOM 225 CE MET A 18 110.757 20.876 -11.164 1.00 0.00 C ATOM 0 H MET A 18 108.858 18.765 -6.778 1.00 0.00 H new ATOM 0 HA MET A 18 109.936 18.178 -9.432 1.00 0.00 H new ATOM 0 HB2 MET A 18 110.868 20.051 -7.197 1.00 0.00 H new ATOM 0 HB3 MET A 18 111.544 19.995 -8.812 1.00 0.00 H new ATOM 0 HG2 MET A 18 108.653 20.710 -8.111 1.00 0.00 H new ATOM 0 HG3 MET A 18 109.893 21.841 -8.614 1.00 0.00 H new ATOM 0 HE1 MET A 18 110.641 21.176 -12.206 1.00 0.00 H new ATOM 0 HE2 MET A 18 111.214 21.690 -10.601 1.00 0.00 H new ATOM 0 HE3 MET A 18 111.395 19.994 -11.109 1.00 0.00 H new ATOM 235 N ASN A 19 112.245 17.235 -8.797 1.00 0.00 N ATOM 236 CA ASN A 19 113.435 16.454 -8.466 1.00 0.00 C ATOM 237 C ASN A 19 113.107 14.989 -8.186 1.00 0.00 C ATOM 238 O ASN A 19 112.265 14.674 -7.345 1.00 0.00 O ATOM 239 CB ASN A 19 114.151 17.060 -7.254 1.00 0.00 C ATOM 240 CG ASN A 19 114.601 18.484 -7.566 1.00 0.00 C ATOM 241 OD1 ASN A 19 114.776 18.844 -8.731 1.00 0.00 O ATOM 242 ND2 ASN A 19 114.802 19.323 -6.586 1.00 0.00 N ATOM 0 H ASN A 19 112.234 17.590 -9.753 1.00 0.00 H new ATOM 0 HA ASN A 19 114.090 16.488 -9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 19 113.484 17.062 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 19 115.013 16.448 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 19 115.104 20.277 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 19 114.657 19.025 -5.621 1.00 0.00 H new ATOM 249 N LYS A 20 113.789 14.102 -8.907 1.00 0.00 N ATOM 250 CA LYS A 20 113.674 12.664 -8.680 1.00 0.00 C ATOM 251 C LYS A 20 114.613 12.247 -7.551 1.00 0.00 C ATOM 252 O LYS A 20 115.530 12.989 -7.204 1.00 0.00 O ATOM 253 CB LYS A 20 114.030 11.898 -9.955 1.00 0.00 C ATOM 254 CG LYS A 20 113.015 12.228 -11.052 1.00 0.00 C ATOM 255 CD LYS A 20 113.310 11.382 -12.292 1.00 0.00 C ATOM 256 CE LYS A 20 112.377 11.798 -13.431 1.00 0.00 C ATOM 257 NZ LYS A 20 112.998 11.443 -14.737 1.00 0.00 N ATOM 0 H LYS A 20 114.431 14.356 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 20 112.646 12.430 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 20 115.035 12.165 -10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 20 114.033 10.826 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 20 112.003 12.032 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 20 113.065 13.288 -11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 20 114.349 11.511 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 20 113.173 10.325 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 20 111.414 11.299 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 20 112.187 12.870 -13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 112.364 11.726 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 113.907 11.939 -14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 113.158 10.416 -14.778 1.00 0.00 H new ATOM 271 N MET A 21 114.383 11.070 -6.968 1.00 0.00 N ATOM 272 CA MET A 21 115.168 10.638 -5.810 1.00 0.00 C ATOM 273 C MET A 21 115.808 9.278 -6.059 1.00 0.00 C ATOM 274 O MET A 21 115.354 8.522 -6.916 1.00 0.00 O ATOM 275 CB MET A 21 114.261 10.552 -4.579 1.00 0.00 C ATOM 276 CG MET A 21 113.744 11.947 -4.224 1.00 0.00 C ATOM 277 SD MET A 21 112.766 11.858 -2.704 1.00 0.00 S ATOM 278 CE MET A 21 112.224 13.586 -2.682 1.00 0.00 C ATOM 0 H MET A 21 113.670 10.407 -7.273 1.00 0.00 H new ATOM 0 HA MET A 21 115.959 11.368 -5.642 1.00 0.00 H new ATOM 0 HB2 MET A 21 113.424 9.883 -4.778 1.00 0.00 H new ATOM 0 HB3 MET A 21 114.812 10.132 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 21 114.580 12.634 -4.092 1.00 0.00 H new ATOM 0 HG3 MET A 21 113.135 12.339 -5.039 1.00 0.00 H new ATOM 0 HE1 MET A 21 111.609 13.763 -1.800 1.00 0.00 H new ATOM 0 HE2 MET A 21 113.095 14.240 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 21 111.641 13.796 -3.579 1.00 0.00 H new ATOM 288 N GLY A 22 116.858 8.966 -5.301 1.00 0.00 N ATOM 289 CA GLY A 22 117.515 7.665 -5.412 1.00 0.00 C ATOM 290 C GLY A 22 117.592 7.006 -4.041 1.00 0.00 C ATOM 291 O GLY A 22 117.852 7.684 -3.047 1.00 0.00 O ATOM 0 H GLY A 22 117.270 9.591 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 22 116.963 7.027 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 22 118.517 7.787 -5.823 1.00 0.00 H new ATOM 295 N GLY A 23 117.345 5.700 -3.982 1.00 0.00 N ATOM 296 CA GLY A 23 117.337 5.002 -2.701 1.00 0.00 C ATOM 297 C GLY A 23 117.713 3.534 -2.849 1.00 0.00 C ATOM 298 O GLY A 23 117.754 2.997 -3.955 1.00 0.00 O ATOM 0 H GLY A 23 117.151 5.112 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 23 118.035 5.488 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 23 116.347 5.079 -2.252 1.00 0.00 H new ATOM 302 N PHE A 24 117.968 2.890 -1.714 1.00 0.00 N ATOM 303 CA PHE A 24 118.334 1.476 -1.701 1.00 0.00 C ATOM 304 C PHE A 24 117.513 0.735 -0.650 1.00 0.00 C ATOM 305 O PHE A 24 117.011 1.349 0.290 1.00 0.00 O ATOM 306 CB PHE A 24 119.826 1.323 -1.396 1.00 0.00 C ATOM 307 CG PHE A 24 120.217 1.824 -0.025 1.00 0.00 C ATOM 308 CD1 PHE A 24 120.504 3.181 0.168 1.00 0.00 C ATOM 309 CD2 PHE A 24 120.290 0.932 1.051 1.00 0.00 C ATOM 310 CE1 PHE A 24 120.867 3.644 1.438 1.00 0.00 C ATOM 311 CE2 PHE A 24 120.653 1.396 2.320 1.00 0.00 C ATOM 312 CZ PHE A 24 120.941 2.753 2.515 1.00 0.00 C ATOM 0 H PHE A 24 117.928 3.324 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 24 118.126 1.049 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 24 120.100 0.271 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 24 120.400 1.864 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 24 120.445 3.869 -0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 24 120.066 -0.114 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 24 121.090 4.690 1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 24 120.711 0.707 3.150 1.00 0.00 H new ATOM 0 HZ PHE A 24 121.220 3.111 3.495 1.00 0.00 H new ATOM 322 N ASN A 25 117.372 -0.579 -0.817 1.00 0.00 N ATOM 323 CA ASN A 25 116.571 -1.367 0.114 1.00 0.00 C ATOM 324 C ASN A 25 117.180 -2.750 0.330 1.00 0.00 C ATOM 325 O ASN A 25 117.835 -3.289 -0.560 1.00 0.00 O ATOM 326 CB ASN A 25 115.137 -1.497 -0.413 1.00 0.00 C ATOM 327 CG ASN A 25 115.110 -2.280 -1.724 1.00 0.00 C ATOM 328 OD1 ASN A 25 116.130 -2.395 -2.404 1.00 0.00 O ATOM 329 ND2 ASN A 25 113.995 -2.828 -2.121 1.00 0.00 N ATOM 0 H ASN A 25 117.795 -1.113 -1.576 1.00 0.00 H new ATOM 0 HA ASN A 25 116.557 -0.852 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 25 114.516 -2.000 0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 25 114.710 -0.506 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 25 113.968 -3.352 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.151 -2.732 -1.557 1.00 0.00 H new ATOM 336 N LEU A 26 116.965 -3.309 1.520 1.00 0.00 N ATOM 337 CA LEU A 26 117.448 -4.652 1.833 1.00 0.00 C ATOM 338 C LEU A 26 116.288 -5.512 2.325 1.00 0.00 C ATOM 339 O LEU A 26 115.478 -5.064 3.136 1.00 0.00 O ATOM 340 CB LEU A 26 118.542 -4.571 2.902 1.00 0.00 C ATOM 341 CG LEU A 26 119.268 -5.920 3.030 1.00 0.00 C ATOM 342 CD1 LEU A 26 120.721 -5.687 3.457 1.00 0.00 C ATOM 343 CD2 LEU A 26 118.568 -6.794 4.078 1.00 0.00 C ATOM 0 H LEU A 26 116.461 -2.854 2.281 1.00 0.00 H new ATOM 0 HA LEU A 26 117.867 -5.107 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 26 119.256 -3.790 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 26 118.103 -4.295 3.861 1.00 0.00 H new ATOM 0 HG LEU A 26 119.246 -6.425 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 26 121.232 -6.646 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 26 121.226 -5.075 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.740 -5.174 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 26 119.089 -7.748 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.581 -6.287 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 26 117.536 -6.970 3.775 1.00 0.00 H new ATOM 355 N LYS A 27 116.208 -6.747 1.835 1.00 0.00 N ATOM 356 CA LYS A 27 115.101 -7.634 2.190 1.00 0.00 C ATOM 357 C LYS A 27 115.606 -8.898 2.877 1.00 0.00 C ATOM 358 O LYS A 27 116.611 -9.483 2.472 1.00 0.00 O ATOM 359 CB LYS A 27 114.332 -8.027 0.928 1.00 0.00 C ATOM 360 CG LYS A 27 113.731 -6.777 0.284 1.00 0.00 C ATOM 361 CD LYS A 27 112.868 -7.181 -0.913 1.00 0.00 C ATOM 362 CE LYS A 27 112.370 -5.925 -1.631 1.00 0.00 C ATOM 363 NZ LYS A 27 111.162 -6.260 -2.438 1.00 0.00 N ATOM 0 H LYS A 27 116.890 -7.155 1.196 1.00 0.00 H new ATOM 0 HA LYS A 27 114.448 -7.099 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 27 114.998 -8.526 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 27 113.542 -8.736 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.129 -6.234 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 27 114.525 -6.104 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 27 113.446 -7.800 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.022 -7.781 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 27 112.131 -5.148 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 27 113.153 -5.528 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 110.973 -5.493 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.326 -7.147 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.343 -6.374 -1.807 1.00 0.00 H new ATOM 377 N TYR A 28 114.895 -9.311 3.922 1.00 0.00 N ATOM 378 CA TYR A 28 115.198 -10.564 4.613 1.00 0.00 C ATOM 379 C TYR A 28 113.977 -11.477 4.590 1.00 0.00 C ATOM 380 O TYR A 28 112.854 -11.009 4.787 1.00 0.00 O ATOM 381 CB TYR A 28 115.598 -10.278 6.062 1.00 0.00 C ATOM 382 CG TYR A 28 116.023 -11.514 6.821 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.344 -11.969 6.732 1.00 0.00 C ATOM 384 CD2 TYR A 28 115.097 -12.202 7.612 1.00 0.00 C ATOM 385 CE1 TYR A 28 117.738 -13.114 7.434 1.00 0.00 C ATOM 386 CE2 TYR A 28 115.490 -13.348 8.315 1.00 0.00 C ATOM 387 CZ TYR A 28 116.811 -13.803 8.226 1.00 0.00 C ATOM 388 OH TYR A 28 117.199 -14.932 8.918 1.00 0.00 O ATOM 0 H TYR A 28 114.104 -8.797 4.310 1.00 0.00 H new ATOM 0 HA TYR A 28 116.026 -11.057 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 28 116.415 -9.556 6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 28 114.758 -9.814 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 28 118.059 -11.437 6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 28 114.078 -11.849 7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 28 118.757 -13.466 7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 28 114.775 -13.880 8.925 1.00 0.00 H new ATOM 0 HH TYR A 28 116.435 -15.287 9.419 1.00 0.00 H new ATOM 398 N ARG A 29 114.198 -12.769 4.344 1.00 0.00 N ATOM 399 CA ARG A 29 113.097 -13.725 4.222 1.00 0.00 C ATOM 400 C ARG A 29 113.298 -14.922 5.152 1.00 0.00 C ATOM 401 O ARG A 29 114.413 -15.418 5.309 1.00 0.00 O ATOM 402 CB ARG A 29 113.000 -14.222 2.777 1.00 0.00 C ATOM 403 CG ARG A 29 111.760 -15.105 2.611 1.00 0.00 C ATOM 404 CD ARG A 29 111.747 -15.719 1.210 1.00 0.00 C ATOM 405 NE ARG A 29 111.694 -14.669 0.189 1.00 0.00 N ATOM 406 CZ ARG A 29 110.552 -14.197 -0.333 1.00 0.00 C ATOM 407 NH1 ARG A 29 109.373 -14.615 0.064 1.00 0.00 N ATOM 408 NH2 ARG A 29 110.614 -13.279 -1.258 1.00 0.00 N ATOM 0 H ARG A 29 115.126 -13.176 4.226 1.00 0.00 H new ATOM 0 HA ARG A 29 112.176 -13.215 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 29 112.947 -13.374 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 29 113.896 -14.786 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 29 111.760 -15.893 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 29 110.858 -14.514 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 29 112.638 -16.330 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 29 110.887 -16.380 1.105 1.00 0.00 H new ATOM 0 HE ARG A 29 112.574 -14.275 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 29 109.302 -15.323 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 29 108.527 -14.231 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 29 111.520 -12.932 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 29 109.756 -12.908 -1.667 1.00 0.00 H new ATOM 422 N TYR A 30 112.207 -15.378 5.766 1.00 0.00 N ATOM 423 CA TYR A 30 112.247 -16.552 6.636 1.00 0.00 C ATOM 424 C TYR A 30 111.296 -17.629 6.119 1.00 0.00 C ATOM 425 O TYR A 30 110.166 -17.332 5.730 1.00 0.00 O ATOM 426 CB TYR A 30 111.850 -16.159 8.060 1.00 0.00 C ATOM 427 CG TYR A 30 111.951 -17.297 9.047 1.00 0.00 C ATOM 428 CD1 TYR A 30 110.850 -18.132 9.269 1.00 0.00 C ATOM 429 CD2 TYR A 30 113.147 -17.517 9.742 1.00 0.00 C ATOM 430 CE1 TYR A 30 110.944 -19.187 10.185 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.242 -18.572 10.657 1.00 0.00 C ATOM 432 CZ TYR A 30 112.139 -19.407 10.879 1.00 0.00 C ATOM 433 OH TYR A 30 112.232 -20.447 11.781 1.00 0.00 O ATOM 0 H TYR A 30 111.285 -14.952 5.677 1.00 0.00 H new ATOM 0 HA TYR A 30 113.263 -16.948 6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 30 112.488 -15.341 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 30 110.827 -15.784 8.053 1.00 0.00 H new ATOM 0 HD1 TYR A 30 109.927 -17.963 8.734 1.00 0.00 H new ATOM 0 HD2 TYR A 30 113.996 -16.872 9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 30 110.094 -19.831 10.356 1.00 0.00 H new ATOM 0 HE2 TYR A 30 114.165 -18.742 11.192 1.00 0.00 H new ATOM 0 HH TYR A 30 113.130 -20.460 12.174 1.00 0.00 H new ATOM 443 N GLU A 31 111.755 -18.879 6.115 1.00 0.00 N ATOM 444 CA GLU A 31 110.956 -19.985 5.589 1.00 0.00 C ATOM 445 C GLU A 31 110.878 -21.136 6.590 1.00 0.00 C ATOM 446 O GLU A 31 111.827 -21.392 7.330 1.00 0.00 O ATOM 447 CB GLU A 31 111.576 -20.484 4.282 1.00 0.00 C ATOM 448 CG GLU A 31 110.646 -21.509 3.623 1.00 0.00 C ATOM 449 CD GLU A 31 111.259 -22.104 2.350 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.380 -21.758 2.005 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.585 -22.909 1.728 1.00 0.00 O ATOM 0 H GLU A 31 112.672 -19.151 6.468 1.00 0.00 H new ATOM 0 HA GLU A 31 109.944 -19.622 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.745 -19.646 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 31 112.548 -20.936 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.430 -22.310 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.696 -21.033 3.380 1.00 0.00 H new ATOM 458 N GLU A 32 109.739 -21.828 6.605 1.00 0.00 N ATOM 459 CA GLU A 32 109.564 -22.984 7.480 1.00 0.00 C ATOM 460 C GLU A 32 109.869 -24.273 6.719 1.00 0.00 C ATOM 461 O GLU A 32 109.507 -24.414 5.551 1.00 0.00 O ATOM 462 CB GLU A 32 108.130 -23.029 8.013 1.00 0.00 C ATOM 463 CG GLU A 32 108.011 -24.131 9.073 1.00 0.00 C ATOM 464 CD GLU A 32 106.573 -24.283 9.581 1.00 0.00 C ATOM 465 OE1 GLU A 32 105.690 -23.579 9.109 1.00 0.00 O ATOM 466 OE2 GLU A 32 106.371 -25.116 10.449 1.00 0.00 O ATOM 0 H GLU A 32 108.929 -21.609 6.025 1.00 0.00 H new ATOM 0 HA GLU A 32 110.255 -22.893 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 32 107.861 -22.065 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 32 107.433 -23.219 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.349 -25.078 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 32 108.670 -23.901 9.911 1.00 0.00 H new ATOM 473 N ASP A 33 110.537 -25.207 7.388 1.00 0.00 N ATOM 474 CA ASP A 33 111.016 -26.416 6.724 1.00 0.00 C ATOM 475 C ASP A 33 109.879 -27.321 6.250 1.00 0.00 C ATOM 476 O ASP A 33 109.912 -27.812 5.121 1.00 0.00 O ATOM 477 CB ASP A 33 111.919 -27.200 7.676 1.00 0.00 C ATOM 478 CG ASP A 33 112.570 -28.365 6.939 1.00 0.00 C ATOM 479 OD1 ASP A 33 111.985 -29.436 6.928 1.00 0.00 O ATOM 480 OD2 ASP A 33 113.645 -28.170 6.395 1.00 0.00 O ATOM 0 H ASP A 33 110.758 -25.152 8.382 1.00 0.00 H new ATOM 0 HA ASP A 33 111.570 -26.097 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 33 112.687 -26.543 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 33 111.336 -27.572 8.519 1.00 0.00 H new ATOM 485 N ASN A 34 108.875 -27.547 7.099 1.00 0.00 N ATOM 486 CA ASN A 34 107.806 -28.495 6.760 1.00 0.00 C ATOM 487 C ASN A 34 106.496 -27.817 6.344 1.00 0.00 C ATOM 488 O ASN A 34 105.608 -28.478 5.805 1.00 0.00 O ATOM 489 CB ASN A 34 107.534 -29.397 7.966 1.00 0.00 C ATOM 490 CG ASN A 34 108.774 -30.219 8.303 1.00 0.00 C ATOM 491 OD1 ASN A 34 109.630 -30.441 7.445 1.00 0.00 O ATOM 492 ND2 ASN A 34 108.924 -30.689 9.511 1.00 0.00 N ATOM 0 H ASN A 34 108.777 -27.098 8.010 1.00 0.00 H new ATOM 0 HA ASN A 34 108.156 -29.068 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 34 107.247 -28.790 8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 34 106.697 -30.061 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 34 109.750 -31.240 9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 34 108.215 -30.505 10.221 1.00 0.00 H new ATOM 499 N SER A 35 106.366 -26.516 6.586 1.00 0.00 N ATOM 500 CA SER A 35 105.178 -25.781 6.161 1.00 0.00 C ATOM 501 C SER A 35 105.566 -24.344 5.803 1.00 0.00 C ATOM 502 O SER A 35 105.249 -23.410 6.547 1.00 0.00 O ATOM 503 CB SER A 35 104.125 -25.803 7.274 1.00 0.00 C ATOM 504 OG SER A 35 103.776 -27.150 7.560 1.00 0.00 O ATOM 0 H SER A 35 107.063 -25.951 7.071 1.00 0.00 H new ATOM 0 HA SER A 35 104.750 -26.255 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 35 104.514 -25.318 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 35 103.242 -25.243 6.967 1.00 0.00 H new ATOM 0 HG SER A 35 103.104 -27.169 8.273 1.00 0.00 H new ATOM 510 N PRO A 36 106.231 -24.134 4.687 1.00 0.00 N ATOM 511 CA PRO A 36 106.841 -22.802 4.399 1.00 0.00 C ATOM 512 C PRO A 36 105.818 -21.738 4.014 1.00 0.00 C ATOM 513 O PRO A 36 104.924 -21.968 3.201 1.00 0.00 O ATOM 514 CB PRO A 36 107.791 -23.084 3.234 1.00 0.00 C ATOM 515 CG PRO A 36 107.199 -24.250 2.519 1.00 0.00 C ATOM 516 CD PRO A 36 106.463 -25.078 3.573 1.00 0.00 C ATOM 0 HA PRO A 36 107.333 -22.395 5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 36 107.874 -22.219 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 36 108.796 -23.310 3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.514 -23.919 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 36 107.975 -24.842 2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 36 105.524 -25.472 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 36 107.059 -25.933 3.894 1.00 0.00 H new ATOM 524 N LEU A 37 105.985 -20.568 4.618 1.00 0.00 N ATOM 525 CA LEU A 37 105.258 -19.366 4.230 1.00 0.00 C ATOM 526 C LEU A 37 106.283 -18.272 3.964 1.00 0.00 C ATOM 527 O LEU A 37 107.211 -18.112 4.762 1.00 0.00 O ATOM 528 CB LEU A 37 104.308 -18.929 5.348 1.00 0.00 C ATOM 529 CG LEU A 37 103.344 -20.068 5.686 1.00 0.00 C ATOM 530 CD1 LEU A 37 102.482 -19.667 6.885 1.00 0.00 C ATOM 531 CD2 LEU A 37 102.434 -20.341 4.485 1.00 0.00 C ATOM 0 H LEU A 37 106.631 -20.426 5.394 1.00 0.00 H new ATOM 0 HA LEU A 37 104.660 -19.560 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 37 104.879 -18.649 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 37 103.748 -18.047 5.037 1.00 0.00 H new ATOM 0 HG LEU A 37 103.915 -20.965 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 37 101.795 -20.478 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 37 103.123 -19.467 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.913 -18.770 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 37 101.747 -21.152 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.865 -19.442 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 37 103.041 -20.623 3.625 1.00 0.00 H new ATOM 543 N GLY A 38 106.132 -17.521 2.872 1.00 0.00 N ATOM 544 CA GLY A 38 107.164 -16.560 2.508 1.00 0.00 C ATOM 545 C GLY A 38 106.838 -15.199 3.099 1.00 0.00 C ATOM 546 O GLY A 38 105.831 -14.591 2.754 1.00 0.00 O ATOM 0 H GLY A 38 105.330 -17.559 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 38 108.134 -16.900 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 38 107.238 -16.486 1.423 1.00 0.00 H new ATOM 550 N VAL A 39 107.699 -14.720 3.987 1.00 0.00 N ATOM 551 CA VAL A 39 107.519 -13.395 4.569 1.00 0.00 C ATOM 552 C VAL A 39 108.790 -12.592 4.363 1.00 0.00 C ATOM 553 O VAL A 39 109.886 -13.063 4.663 1.00 0.00 O ATOM 554 CB VAL A 39 107.211 -13.508 6.067 1.00 0.00 C ATOM 555 CG1 VAL A 39 106.940 -12.117 6.646 1.00 0.00 C ATOM 556 CG2 VAL A 39 105.974 -14.386 6.277 1.00 0.00 C ATOM 0 H VAL A 39 108.522 -15.223 4.318 1.00 0.00 H new ATOM 0 HA VAL A 39 106.681 -12.896 4.082 1.00 0.00 H new ATOM 0 HB VAL A 39 108.068 -13.955 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 39 106.722 -12.202 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 39 107.818 -11.487 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 39 106.087 -11.670 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 39 105.759 -14.463 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 39 105.120 -13.940 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 39 106.161 -15.380 5.872 1.00 0.00 H new ATOM 566 N ILE A 40 108.638 -11.376 3.858 1.00 0.00 N ATOM 567 CA ILE A 40 109.783 -10.500 3.641 1.00 0.00 C ATOM 568 C ILE A 40 109.572 -9.156 4.321 1.00 0.00 C ATOM 569 O ILE A 40 108.458 -8.629 4.343 1.00 0.00 O ATOM 570 CB ILE A 40 110.005 -10.295 2.139 1.00 0.00 C ATOM 571 CG1 ILE A 40 108.760 -9.665 1.506 1.00 0.00 C ATOM 572 CG2 ILE A 40 110.281 -11.645 1.479 1.00 0.00 C ATOM 573 CD1 ILE A 40 109.051 -9.315 0.045 1.00 0.00 C ATOM 0 H ILE A 40 107.739 -10.974 3.592 1.00 0.00 H new ATOM 0 HA ILE A 40 110.664 -10.971 4.076 1.00 0.00 H new ATOM 0 HB ILE A 40 110.856 -9.631 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 40 107.920 -10.357 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.474 -8.768 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 40 110.439 -11.502 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.172 -12.091 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.429 -12.307 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.165 -8.867 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.879 -8.608 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.316 -10.221 -0.500 1.00 0.00 H new ATOM 585 N GLY A 41 110.653 -8.631 4.887 1.00 0.00 N ATOM 586 CA GLY A 41 110.655 -7.278 5.432 1.00 0.00 C ATOM 587 C GLY A 41 111.688 -6.440 4.691 1.00 0.00 C ATOM 588 O GLY A 41 112.829 -6.871 4.518 1.00 0.00 O ATOM 0 H GLY A 41 111.541 -9.123 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 41 109.666 -6.831 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 41 110.886 -7.303 6.497 1.00 0.00 H new ATOM 592 N SER A 42 111.270 -5.265 4.228 1.00 0.00 N ATOM 593 CA SER A 42 112.148 -4.391 3.454 1.00 0.00 C ATOM 594 C SER A 42 112.164 -2.982 4.037 1.00 0.00 C ATOM 595 O SER A 42 111.120 -2.445 4.404 1.00 0.00 O ATOM 596 CB SER A 42 111.660 -4.326 2.007 1.00 0.00 C ATOM 597 OG SER A 42 112.709 -3.836 1.183 1.00 0.00 O ATOM 0 H SER A 42 110.330 -4.896 4.375 1.00 0.00 H new ATOM 0 HA SER A 42 113.158 -4.800 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.349 -5.315 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.789 -3.675 1.933 1.00 0.00 H new ATOM 0 HG SER A 42 112.328 -3.352 0.421 1.00 0.00 H new ATOM 603 N PHE A 43 113.350 -2.382 4.122 1.00 0.00 N ATOM 604 CA PHE A 43 113.460 -0.978 4.516 1.00 0.00 C ATOM 605 C PHE A 43 114.170 -0.201 3.417 1.00 0.00 C ATOM 606 O PHE A 43 115.233 -0.607 2.948 1.00 0.00 O ATOM 607 CB PHE A 43 114.226 -0.844 5.835 1.00 0.00 C ATOM 608 CG PHE A 43 115.646 -1.357 5.780 1.00 0.00 C ATOM 609 CD1 PHE A 43 115.918 -2.695 6.087 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.689 -0.493 5.427 1.00 0.00 C ATOM 611 CE1 PHE A 43 117.234 -3.169 6.045 1.00 0.00 C ATOM 612 CE2 PHE A 43 118.006 -0.968 5.383 1.00 0.00 C ATOM 613 CZ PHE A 43 118.278 -2.306 5.692 1.00 0.00 C ATOM 0 H PHE A 43 114.240 -2.840 3.926 1.00 0.00 H new ATOM 0 HA PHE A 43 112.459 -0.572 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 43 114.242 0.206 6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.686 -1.384 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 43 115.112 -3.362 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.479 0.539 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 43 117.444 -4.201 6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.811 -0.302 5.111 1.00 0.00 H new ATOM 0 HZ PHE A 43 119.293 -2.672 5.658 1.00 0.00 H new ATOM 623 N THR A 44 113.583 0.921 3.006 1.00 0.00 N ATOM 624 CA THR A 44 114.131 1.698 1.898 1.00 0.00 C ATOM 625 C THR A 44 114.416 3.128 2.335 1.00 0.00 C ATOM 626 O THR A 44 113.613 3.743 3.036 1.00 0.00 O ATOM 627 CB THR A 44 113.139 1.710 0.732 1.00 0.00 C ATOM 628 OG1 THR A 44 112.789 0.373 0.399 1.00 0.00 O ATOM 629 CG2 THR A 44 113.776 2.390 -0.481 1.00 0.00 C ATOM 0 H THR A 44 112.735 1.309 3.420 1.00 0.00 H new ATOM 0 HA THR A 44 115.065 1.234 1.580 1.00 0.00 H new ATOM 0 HB THR A 44 112.244 2.261 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.153 0.377 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 44 113.067 2.396 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 44 114.044 3.415 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.672 1.844 -0.775 1.00 0.00 H new ATOM 637 N TYR A 45 115.566 3.642 1.910 1.00 0.00 N ATOM 638 CA TYR A 45 115.946 5.020 2.201 1.00 0.00 C ATOM 639 C TYR A 45 116.263 5.745 0.900 1.00 0.00 C ATOM 640 O TYR A 45 117.063 5.259 0.101 1.00 0.00 O ATOM 641 CB TYR A 45 117.177 5.039 3.109 1.00 0.00 C ATOM 642 CG TYR A 45 117.646 6.430 3.460 1.00 0.00 C ATOM 643 CD1 TYR A 45 117.096 7.100 4.559 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.633 7.051 2.686 1.00 0.00 C ATOM 645 CE1 TYR A 45 117.534 8.390 4.883 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.071 8.340 3.010 1.00 0.00 C ATOM 647 CZ TYR A 45 118.521 9.010 4.109 1.00 0.00 C ATOM 648 OH TYR A 45 118.952 10.281 4.430 1.00 0.00 O ATOM 0 H TYR A 45 116.252 3.124 1.362 1.00 0.00 H new ATOM 0 HA TYR A 45 115.120 5.521 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 45 116.949 4.499 4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 45 117.989 4.504 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 45 116.334 6.622 5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 45 119.057 6.535 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.110 8.907 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 45 119.833 8.818 2.412 1.00 0.00 H new ATOM 0 HH TYR A 45 119.641 10.563 3.793 1.00 0.00 H new ATOM 658 N THR A 46 115.621 6.893 0.685 1.00 0.00 N ATOM 659 CA THR A 46 115.848 7.678 -0.525 1.00 0.00 C ATOM 660 C THR A 46 116.195 9.116 -0.162 1.00 0.00 C ATOM 661 O THR A 46 115.732 9.639 0.855 1.00 0.00 O ATOM 662 CB THR A 46 114.596 7.673 -1.415 1.00 0.00 C ATOM 663 OG1 THR A 46 113.573 8.423 -0.780 1.00 0.00 O ATOM 664 CG2 THR A 46 114.088 6.247 -1.676 1.00 0.00 C ATOM 0 H THR A 46 114.943 7.298 1.331 1.00 0.00 H new ATOM 0 HA THR A 46 116.678 7.228 -1.070 1.00 0.00 H new ATOM 0 HB THR A 46 114.861 8.117 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.771 8.425 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 46 113.202 6.287 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.866 5.670 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.836 5.771 -0.728 1.00 0.00 H new ATOM 672 N GLU A 47 116.990 9.752 -1.018 1.00 0.00 N ATOM 673 CA GLU A 47 117.428 11.120 -0.780 1.00 0.00 C ATOM 674 C GLU A 47 117.799 11.785 -2.104 1.00 0.00 C ATOM 675 O GLU A 47 118.118 11.101 -3.078 1.00 0.00 O ATOM 676 CB GLU A 47 118.636 11.107 0.163 1.00 0.00 C ATOM 677 CG GLU A 47 118.975 12.531 0.623 1.00 0.00 C ATOM 678 CD GLU A 47 120.220 12.562 1.517 1.00 0.00 C ATOM 679 OE1 GLU A 47 120.821 11.522 1.746 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.559 13.645 1.966 1.00 0.00 O ATOM 0 H GLU A 47 117.343 9.340 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 47 116.619 11.688 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.422 10.480 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 47 119.495 10.668 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 47 119.138 13.165 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 47 118.127 12.948 1.166 1.00 0.00 H new ATOM 687 N LYS A 48 117.666 13.106 -2.161 1.00 0.00 N ATOM 688 CA LYS A 48 118.126 13.866 -3.317 1.00 0.00 C ATOM 689 C LYS A 48 118.709 15.200 -2.863 1.00 0.00 C ATOM 690 O LYS A 48 118.095 15.918 -2.073 1.00 0.00 O ATOM 691 CB LYS A 48 116.972 14.094 -4.298 1.00 0.00 C ATOM 692 CG LYS A 48 117.478 14.819 -5.550 1.00 0.00 C ATOM 693 CD LYS A 48 118.324 13.867 -6.401 1.00 0.00 C ATOM 694 CE LYS A 48 118.713 14.560 -7.708 1.00 0.00 C ATOM 695 NZ LYS A 48 119.641 13.685 -8.477 1.00 0.00 N ATOM 0 H LYS A 48 117.245 13.671 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 48 118.904 13.297 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 116.528 13.139 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 48 116.189 14.682 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 48 116.634 15.188 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 118.071 15.687 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 48 119.219 13.571 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 48 117.764 12.956 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 117.822 14.771 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 48 119.190 15.517 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 119.906 14.156 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 120.496 13.505 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 119.170 12.782 -8.690 1.00 0.00 H new ATOM 709 N SER A 49 119.897 15.528 -3.365 1.00 0.00 N ATOM 710 CA SER A 49 120.577 16.759 -2.967 1.00 0.00 C ATOM 711 C SER A 49 120.665 17.735 -4.135 1.00 0.00 C ATOM 712 O SER A 49 120.970 17.348 -5.264 1.00 0.00 O ATOM 713 CB SER A 49 121.987 16.430 -2.475 1.00 0.00 C ATOM 714 OG SER A 49 122.609 17.621 -2.009 1.00 0.00 O ATOM 0 H SER A 49 120.407 14.963 -4.044 1.00 0.00 H new ATOM 0 HA SER A 49 120.002 17.225 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 49 121.943 15.691 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 49 122.574 15.991 -3.282 1.00 0.00 H new ATOM 0 HG SER A 49 121.937 18.198 -1.590 1.00 0.00 H new ATOM 720 N ARG A 50 120.395 19.005 -3.849 1.00 0.00 N ATOM 721 CA ARG A 50 120.480 20.050 -4.863 1.00 0.00 C ATOM 722 C ARG A 50 121.152 21.287 -4.274 1.00 0.00 C ATOM 723 O ARG A 50 120.916 21.638 -3.118 1.00 0.00 O ATOM 724 CB ARG A 50 119.076 20.407 -5.363 1.00 0.00 C ATOM 725 CG ARG A 50 119.154 21.431 -6.499 1.00 0.00 C ATOM 726 CD ARG A 50 119.603 20.746 -7.792 1.00 0.00 C ATOM 727 NE ARG A 50 119.736 21.734 -8.867 1.00 0.00 N ATOM 728 CZ ARG A 50 119.684 21.421 -10.171 1.00 0.00 C ATOM 729 NH1 ARG A 50 119.504 20.191 -10.589 1.00 0.00 N ATOM 730 NH2 ARG A 50 119.817 22.373 -11.053 1.00 0.00 N ATOM 0 H ARG A 50 120.116 19.335 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 50 121.073 19.686 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 50 118.568 19.507 -5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 50 118.483 20.811 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 50 118.181 21.899 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 50 119.853 22.225 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 50 120.555 20.240 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 50 118.880 19.982 -8.078 1.00 0.00 H new ATOM 0 HE ARG A 50 119.875 22.711 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 50 119.398 19.433 -9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 50 119.470 19.992 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 50 119.958 23.336 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 50 119.780 22.155 -12.049 1.00 0.00 H new ATOM 744 N THR A 51 121.989 21.947 -5.071 1.00 0.00 N ATOM 745 CA THR A 51 122.698 23.139 -4.608 1.00 0.00 C ATOM 746 C THR A 51 122.585 24.272 -5.625 1.00 0.00 C ATOM 747 O THR A 51 122.512 24.035 -6.831 1.00 0.00 O ATOM 748 CB THR A 51 124.171 22.798 -4.353 1.00 0.00 C ATOM 749 OG1 THR A 51 124.837 23.941 -3.837 1.00 0.00 O ATOM 750 CG2 THR A 51 124.847 22.347 -5.651 1.00 0.00 C ATOM 0 H THR A 51 122.193 21.680 -6.034 1.00 0.00 H new ATOM 0 HA THR A 51 122.240 23.476 -3.678 1.00 0.00 H new ATOM 0 HB THR A 51 124.227 21.984 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 51 125.778 23.724 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 51 125.892 22.109 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 51 124.340 21.463 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 51 124.791 23.148 -6.388 1.00 0.00 H new ATOM 758 N ALA A 52 122.569 25.504 -5.123 1.00 0.00 N ATOM 759 CA ALA A 52 122.477 26.680 -5.983 1.00 0.00 C ATOM 760 C ALA A 52 123.558 27.690 -5.617 1.00 0.00 C ATOM 761 O ALA A 52 124.081 27.676 -4.503 1.00 0.00 O ATOM 762 CB ALA A 52 121.099 27.328 -5.835 1.00 0.00 C ATOM 0 H ALA A 52 122.619 25.714 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 52 122.620 26.367 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 52 121.038 28.205 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 52 120.328 26.613 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 52 120.948 27.629 -4.798 1.00 0.00 H new ATOM 768 N SER A 53 123.889 28.568 -6.558 1.00 0.00 N ATOM 769 CA SER A 53 124.898 29.595 -6.307 1.00 0.00 C ATOM 770 C SER A 53 124.513 30.477 -5.118 1.00 0.00 C ATOM 771 O SER A 53 125.380 30.945 -4.381 1.00 0.00 O ATOM 772 CB SER A 53 125.072 30.466 -7.552 1.00 0.00 C ATOM 773 OG SER A 53 123.890 31.228 -7.757 1.00 0.00 O ATOM 0 H SER A 53 123.480 28.591 -7.492 1.00 0.00 H new ATOM 0 HA SER A 53 125.836 29.093 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.929 31.128 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.272 29.841 -8.423 1.00 0.00 H new ATOM 0 HG SER A 53 123.997 31.790 -8.553 1.00 0.00 H new ATOM 779 N SER A 54 123.214 30.703 -4.933 1.00 0.00 N ATOM 780 CA SER A 54 122.736 31.506 -3.811 1.00 0.00 C ATOM 781 C SER A 54 123.203 30.930 -2.473 1.00 0.00 C ATOM 782 O SER A 54 123.470 31.675 -1.530 1.00 0.00 O ATOM 783 CB SER A 54 121.209 31.569 -3.831 1.00 0.00 C ATOM 784 OG SER A 54 120.766 32.486 -2.840 1.00 0.00 O ATOM 0 H SER A 54 122.478 30.344 -5.541 1.00 0.00 H new ATOM 0 HA SER A 54 123.151 32.508 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 54 120.859 31.881 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 54 120.790 30.581 -3.642 1.00 0.00 H new ATOM 0 HG SER A 54 119.787 32.531 -2.850 1.00 0.00 H new ATOM 790 N GLY A 55 123.303 29.605 -2.392 1.00 0.00 N ATOM 791 CA GLY A 55 123.723 28.949 -1.154 1.00 0.00 C ATOM 792 C GLY A 55 122.556 28.357 -0.350 1.00 0.00 C ATOM 793 O GLY A 55 122.767 27.854 0.753 1.00 0.00 O ATOM 0 H GLY A 55 123.101 28.968 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.429 28.154 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.254 29.670 -0.532 1.00 0.00 H new ATOM 797 N ASP A 56 121.335 28.411 -0.886 1.00 0.00 N ATOM 798 CA ASP A 56 120.183 27.837 -0.202 1.00 0.00 C ATOM 799 C ASP A 56 120.082 26.344 -0.498 1.00 0.00 C ATOM 800 O ASP A 56 119.917 25.941 -1.649 1.00 0.00 O ATOM 801 CB ASP A 56 118.901 28.539 -0.656 1.00 0.00 C ATOM 802 CG ASP A 56 117.713 28.029 0.152 1.00 0.00 C ATOM 803 OD1 ASP A 56 117.432 28.611 1.188 1.00 0.00 O ATOM 804 OD2 ASP A 56 117.101 27.064 -0.274 1.00 0.00 O ATOM 0 H ASP A 56 121.123 28.844 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 56 120.310 27.978 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 56 119.002 29.617 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 56 118.734 28.358 -1.718 1.00 0.00 H new ATOM 809 N TYR A 57 120.181 25.526 0.547 1.00 0.00 N ATOM 810 CA TYR A 57 120.135 24.075 0.387 1.00 0.00 C ATOM 811 C TYR A 57 118.853 23.507 0.988 1.00 0.00 C ATOM 812 O TYR A 57 118.486 23.834 2.116 1.00 0.00 O ATOM 813 CB TYR A 57 121.344 23.442 1.076 1.00 0.00 C ATOM 814 CG TYR A 57 121.441 21.949 0.872 1.00 0.00 C ATOM 815 CD1 TYR A 57 122.052 21.438 -0.278 1.00 0.00 C ATOM 816 CD2 TYR A 57 120.921 21.076 1.836 1.00 0.00 C ATOM 817 CE1 TYR A 57 122.143 20.054 -0.467 1.00 0.00 C ATOM 818 CE2 TYR A 57 121.012 19.691 1.646 1.00 0.00 C ATOM 819 CZ TYR A 57 121.622 19.181 0.494 1.00 0.00 C ATOM 820 OH TYR A 57 121.712 17.817 0.308 1.00 0.00 O ATOM 0 H TYR A 57 120.293 25.842 1.510 1.00 0.00 H new ATOM 0 HA TYR A 57 120.155 23.844 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 57 122.253 23.912 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.294 23.652 2.144 1.00 0.00 H new ATOM 0 HD1 TYR A 57 122.454 22.112 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 57 120.450 21.470 2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 57 122.615 19.660 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 57 120.611 19.017 2.388 1.00 0.00 H new ATOM 0 HH TYR A 57 122.514 17.610 -0.216 1.00 0.00 H new ATOM 830 N ASN A 58 118.178 22.651 0.225 1.00 0.00 N ATOM 831 CA ASN A 58 116.944 22.023 0.690 1.00 0.00 C ATOM 832 C ASN A 58 117.178 20.543 0.978 1.00 0.00 C ATOM 833 O ASN A 58 117.803 19.840 0.184 1.00 0.00 O ATOM 834 CB ASN A 58 115.854 22.169 -0.373 1.00 0.00 C ATOM 835 CG ASN A 58 115.613 23.643 -0.680 1.00 0.00 C ATOM 836 OD1 ASN A 58 115.525 24.029 -1.846 1.00 0.00 O ATOM 837 ND2 ASN A 58 115.502 24.497 0.301 1.00 0.00 N ATOM 0 H ASN A 58 118.463 22.377 -0.715 1.00 0.00 H new ATOM 0 HA ASN A 58 116.626 22.518 1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.149 21.644 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.931 21.707 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 58 115.342 25.485 0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.575 24.177 1.267 1.00 0.00 H new ATOM 844 N LYS A 59 116.675 20.076 2.117 1.00 0.00 N ATOM 845 CA LYS A 59 116.852 18.679 2.502 1.00 0.00 C ATOM 846 C LYS A 59 115.594 17.869 2.202 1.00 0.00 C ATOM 847 O LYS A 59 114.496 18.225 2.630 1.00 0.00 O ATOM 848 CB LYS A 59 117.168 18.589 3.996 1.00 0.00 C ATOM 849 CG LYS A 59 118.517 19.256 4.274 1.00 0.00 C ATOM 850 CD LYS A 59 118.768 19.303 5.784 1.00 0.00 C ATOM 851 CE LYS A 59 119.011 17.889 6.315 1.00 0.00 C ATOM 852 NZ LYS A 59 120.159 17.274 5.592 1.00 0.00 N ATOM 0 H LYS A 59 116.146 20.638 2.784 1.00 0.00 H new ATOM 0 HA LYS A 59 117.679 18.268 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 59 116.383 19.077 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 59 117.195 17.546 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 59 119.316 18.703 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 59 118.526 20.265 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 59 119.630 19.935 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 59 117.912 19.749 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 59 119.218 17.922 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 59 118.116 17.281 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 120.752 16.749 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 119.802 16.623 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 120.725 18.021 5.141 1.00 0.00 H new ATOM 866 N ASN A 60 115.765 16.777 1.461 1.00 0.00 N ATOM 867 CA ASN A 60 114.655 15.881 1.149 1.00 0.00 C ATOM 868 C ASN A 60 114.972 14.473 1.643 1.00 0.00 C ATOM 869 O ASN A 60 115.989 13.894 1.256 1.00 0.00 O ATOM 870 CB ASN A 60 114.419 15.844 -0.364 1.00 0.00 C ATOM 871 CG ASN A 60 114.210 17.255 -0.905 1.00 0.00 C ATOM 872 OD1 ASN A 60 114.782 17.618 -1.932 1.00 0.00 O ATOM 873 ND2 ASN A 60 113.421 18.077 -0.270 1.00 0.00 N ATOM 0 H ASN A 60 116.661 16.492 1.066 1.00 0.00 H new ATOM 0 HA ASN A 60 113.757 16.249 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 60 115.272 15.380 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 60 113.547 15.229 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 60 113.277 19.022 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 60 112.948 17.774 0.581 1.00 0.00 H new ATOM 880 N GLN A 61 114.109 13.923 2.494 1.00 0.00 N ATOM 881 CA GLN A 61 114.340 12.581 3.029 1.00 0.00 C ATOM 882 C GLN A 61 113.051 11.767 3.018 1.00 0.00 C ATOM 883 O GLN A 61 111.972 12.308 3.251 1.00 0.00 O ATOM 884 CB GLN A 61 114.863 12.692 4.465 1.00 0.00 C ATOM 885 CG GLN A 61 115.216 11.303 5.007 1.00 0.00 C ATOM 886 CD GLN A 61 115.780 11.401 6.426 1.00 0.00 C ATOM 887 OE1 GLN A 61 116.064 12.492 6.923 1.00 0.00 O ATOM 888 NE2 GLN A 61 115.952 10.309 7.120 1.00 0.00 N ATOM 0 H GLN A 61 113.257 14.376 2.824 1.00 0.00 H new ATOM 0 HA GLN A 61 115.075 12.075 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.743 13.335 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 61 114.109 13.158 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 61 114.328 10.671 5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 61 115.946 10.827 4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 61 115.718 9.404 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 61 116.320 10.361 8.070 1.00 0.00 H new ATOM 897 N TYR A 62 113.173 10.469 2.745 1.00 0.00 N ATOM 898 CA TYR A 62 112.025 9.574 2.832 1.00 0.00 C ATOM 899 C TYR A 62 112.462 8.177 3.262 1.00 0.00 C ATOM 900 O TYR A 62 113.427 7.631 2.730 1.00 0.00 O ATOM 901 CB TYR A 62 111.323 9.503 1.475 1.00 0.00 C ATOM 902 CG TYR A 62 110.046 8.696 1.492 1.00 0.00 C ATOM 903 CD1 TYR A 62 110.082 7.323 1.227 1.00 0.00 C ATOM 904 CD2 TYR A 62 108.825 9.325 1.766 1.00 0.00 C ATOM 905 CE1 TYR A 62 108.897 6.576 1.237 1.00 0.00 C ATOM 906 CE2 TYR A 62 107.640 8.578 1.777 1.00 0.00 C ATOM 907 CZ TYR A 62 107.677 7.205 1.511 1.00 0.00 C ATOM 908 OH TYR A 62 106.509 6.469 1.521 1.00 0.00 O ATOM 0 H TYR A 62 114.045 10.020 2.465 1.00 0.00 H new ATOM 0 HA TYR A 62 111.334 9.965 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 62 111.098 10.515 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.006 9.069 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.024 6.839 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 62 108.797 10.385 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 62 108.925 5.516 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 62 106.698 9.062 1.991 1.00 0.00 H new ATOM 0 HH TYR A 62 105.753 7.057 1.729 1.00 0.00 H new ATOM 918 N TYR A 63 111.747 7.605 4.227 1.00 0.00 N ATOM 919 CA TYR A 63 112.040 6.253 4.698 1.00 0.00 C ATOM 920 C TYR A 63 110.750 5.444 4.768 1.00 0.00 C ATOM 921 O TYR A 63 109.743 5.944 5.262 1.00 0.00 O ATOM 922 CB TYR A 63 112.687 6.316 6.084 1.00 0.00 C ATOM 923 CG TYR A 63 113.092 4.967 6.629 1.00 0.00 C ATOM 924 CD1 TYR A 63 112.188 4.224 7.397 1.00 0.00 C ATOM 925 CD2 TYR A 63 114.373 4.463 6.370 1.00 0.00 C ATOM 926 CE1 TYR A 63 112.565 2.976 7.908 1.00 0.00 C ATOM 927 CE2 TYR A 63 114.749 3.215 6.881 1.00 0.00 C ATOM 928 CZ TYR A 63 113.845 2.471 7.650 1.00 0.00 C ATOM 929 OH TYR A 63 114.217 1.242 8.154 1.00 0.00 O ATOM 0 H TYR A 63 110.962 8.055 4.698 1.00 0.00 H new ATOM 0 HA TYR A 63 112.729 5.772 4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 63 113.567 6.957 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 63 111.990 6.784 6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 63 111.200 4.613 7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.070 5.036 5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 63 111.868 2.403 8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.737 2.826 6.682 1.00 0.00 H new ATOM 0 HH TYR A 63 115.136 1.041 7.881 1.00 0.00 H new ATOM 939 N GLY A 64 110.776 4.202 4.286 1.00 0.00 N ATOM 940 CA GLY A 64 109.554 3.404 4.193 1.00 0.00 C ATOM 941 C GLY A 64 109.773 1.972 4.673 1.00 0.00 C ATOM 942 O GLY A 64 110.793 1.361 4.359 1.00 0.00 O ATOM 0 H GLY A 64 111.619 3.731 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 64 108.769 3.871 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 64 109.206 3.392 3.160 1.00 0.00 H new ATOM 946 N ILE A 65 108.816 1.450 5.442 1.00 0.00 N ATOM 947 CA ILE A 65 108.903 0.082 5.948 1.00 0.00 C ATOM 948 C ILE A 65 107.763 -0.742 5.358 1.00 0.00 C ATOM 949 O ILE A 65 106.608 -0.317 5.393 1.00 0.00 O ATOM 950 CB ILE A 65 108.812 0.072 7.477 1.00 0.00 C ATOM 951 CG1 ILE A 65 109.914 0.959 8.065 1.00 0.00 C ATOM 952 CG2 ILE A 65 108.990 -1.357 7.997 1.00 0.00 C ATOM 953 CD1 ILE A 65 109.720 1.084 9.578 1.00 0.00 C ATOM 0 H ILE A 65 107.975 1.953 5.726 1.00 0.00 H new ATOM 0 HA ILE A 65 109.861 -0.349 5.655 1.00 0.00 H new ATOM 0 HB ILE A 65 107.835 0.452 7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 65 110.893 0.532 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 65 109.887 1.945 7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 65 108.925 -1.359 9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 65 108.207 -1.994 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 65 109.965 -1.737 7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 65 110.505 1.715 9.995 1.00 0.00 H new ATOM 0 HD12 ILE A 65 108.747 1.531 9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 65 109.769 0.095 10.034 1.00 0.00 H new ATOM 965 N THR A 66 108.094 -1.906 4.802 1.00 0.00 N ATOM 966 CA THR A 66 107.096 -2.747 4.143 1.00 0.00 C ATOM 967 C THR A 66 107.199 -4.199 4.601 1.00 0.00 C ATOM 968 O THR A 66 108.225 -4.630 5.127 1.00 0.00 O ATOM 969 CB THR A 66 107.286 -2.690 2.625 1.00 0.00 C ATOM 970 OG1 THR A 66 108.582 -3.168 2.295 1.00 0.00 O ATOM 971 CG2 THR A 66 107.126 -1.253 2.121 1.00 0.00 C ATOM 0 H THR A 66 109.040 -2.287 4.794 1.00 0.00 H new ATOM 0 HA THR A 66 106.112 -2.365 4.414 1.00 0.00 H new ATOM 0 HB THR A 66 106.530 -3.314 2.149 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.706 -3.134 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.264 -1.229 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 106.128 -0.890 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 66 107.872 -0.616 2.596 1.00 0.00 H new ATOM 979 N ALA A 67 106.118 -4.942 4.391 1.00 0.00 N ATOM 980 CA ALA A 67 106.102 -6.378 4.653 1.00 0.00 C ATOM 981 C ALA A 67 105.140 -7.048 3.679 1.00 0.00 C ATOM 982 O ALA A 67 104.155 -6.430 3.271 1.00 0.00 O ATOM 983 CB ALA A 67 105.658 -6.648 6.092 1.00 0.00 C ATOM 0 H ALA A 67 105.236 -4.571 4.038 1.00 0.00 H new ATOM 0 HA ALA A 67 107.105 -6.783 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.650 -7.723 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 67 106.351 -6.167 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 67 104.656 -6.247 6.245 1.00 0.00 H new ATOM 989 N GLY A 68 105.430 -8.290 3.286 1.00 0.00 N ATOM 990 CA GLY A 68 104.581 -8.966 2.306 1.00 0.00 C ATOM 991 C GLY A 68 104.590 -10.498 2.452 1.00 0.00 C ATOM 992 O GLY A 68 105.650 -11.068 2.716 1.00 0.00 O ATOM 0 H GLY A 68 106.224 -8.835 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.558 -8.603 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.913 -8.701 1.302 1.00 0.00 H new ATOM 996 N PRO A 69 103.464 -11.179 2.322 1.00 0.00 N ATOM 997 CA PRO A 69 103.453 -12.672 2.187 1.00 0.00 C ATOM 998 C PRO A 69 103.889 -13.121 0.790 1.00 0.00 C ATOM 999 O PRO A 69 103.868 -12.320 -0.147 1.00 0.00 O ATOM 1000 CB PRO A 69 102.000 -13.067 2.453 1.00 0.00 C ATOM 1001 CG PRO A 69 101.199 -11.881 2.046 1.00 0.00 C ATOM 1002 CD PRO A 69 102.079 -10.658 2.303 1.00 0.00 C ATOM 0 HA PRO A 69 104.153 -13.144 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.719 -13.949 1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 69 101.842 -13.308 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.919 -11.944 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 69 100.274 -11.821 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.950 -9.908 1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 69 101.824 -10.180 3.249 1.00 0.00 H new ATOM 1010 N ALA A 70 104.252 -14.399 0.639 1.00 0.00 N ATOM 1011 CA ALA A 70 104.664 -14.915 -0.667 1.00 0.00 C ATOM 1012 C ALA A 70 104.017 -16.275 -0.925 1.00 0.00 C ATOM 1013 O ALA A 70 103.707 -17.008 0.014 1.00 0.00 O ATOM 1014 CB ALA A 70 106.190 -15.035 -0.726 1.00 0.00 C ATOM 0 H ALA A 70 104.269 -15.085 1.394 1.00 0.00 H new ATOM 0 HA ALA A 70 104.335 -14.220 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.487 -15.420 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 70 106.638 -14.054 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 70 106.532 -15.717 0.053 1.00 0.00 H new ATOM 1020 N TYR A 71 103.814 -16.611 -2.199 1.00 0.00 N ATOM 1021 CA TYR A 71 103.131 -17.849 -2.560 1.00 0.00 C ATOM 1022 C TYR A 71 104.019 -18.715 -3.443 1.00 0.00 C ATOM 1023 O TYR A 71 104.584 -18.233 -4.428 1.00 0.00 O ATOM 1024 CB TYR A 71 101.834 -17.527 -3.304 1.00 0.00 C ATOM 1025 CG TYR A 71 100.858 -16.713 -2.487 1.00 0.00 C ATOM 1026 CD1 TYR A 71 100.037 -17.345 -1.546 1.00 0.00 C ATOM 1027 CD2 TYR A 71 100.773 -15.329 -2.672 1.00 0.00 C ATOM 1028 CE1 TYR A 71 99.132 -16.592 -0.788 1.00 0.00 C ATOM 1029 CE2 TYR A 71 99.869 -14.574 -1.915 1.00 0.00 C ATOM 1030 CZ TYR A 71 99.047 -15.207 -0.973 1.00 0.00 C ATOM 1031 OH TYR A 71 98.156 -14.463 -0.227 1.00 0.00 O ATOM 0 H TYR A 71 104.112 -16.045 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 71 102.904 -18.396 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 71 102.074 -16.983 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 71 101.356 -18.459 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 71 100.102 -18.414 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 71 101.405 -14.842 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 71 98.500 -17.080 -0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 71 99.805 -13.505 -2.057 1.00 0.00 H new ATOM 0 HH TYR A 71 98.226 -13.519 -0.480 1.00 0.00 H new ATOM 1041 N ARG A 72 104.168 -19.979 -3.055 1.00 0.00 N ATOM 1042 CA ARG A 72 104.875 -20.958 -3.873 1.00 0.00 C ATOM 1043 C ARG A 72 103.906 -22.035 -4.351 1.00 0.00 C ATOM 1044 O ARG A 72 103.212 -22.655 -3.544 1.00 0.00 O ATOM 1045 CB ARG A 72 105.999 -21.605 -3.061 1.00 0.00 C ATOM 1046 CG ARG A 72 106.823 -22.519 -3.970 1.00 0.00 C ATOM 1047 CD ARG A 72 107.910 -23.215 -3.149 1.00 0.00 C ATOM 1048 NE ARG A 72 108.782 -24.001 -4.027 1.00 0.00 N ATOM 1049 CZ ARG A 72 109.533 -25.026 -3.599 1.00 0.00 C ATOM 1050 NH1 ARG A 72 109.543 -25.411 -2.346 1.00 0.00 N ATOM 1051 NH2 ARG A 72 110.279 -25.664 -4.460 1.00 0.00 N ATOM 0 H ARG A 72 103.807 -20.349 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 72 105.303 -20.450 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.637 -20.836 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 72 105.581 -22.178 -2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.177 -23.261 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 72 107.276 -21.938 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 72 108.499 -22.474 -2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 72 107.453 -23.864 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 72 108.819 -23.755 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 72 108.966 -24.926 -1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 72 110.128 -26.196 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 72 110.284 -25.380 -5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 72 110.857 -26.446 -4.153 1.00 0.00 H new ATOM 1065 N ILE A 73 103.859 -22.256 -5.660 1.00 0.00 N ATOM 1066 CA ILE A 73 102.989 -23.286 -6.218 1.00 0.00 C ATOM 1067 C ILE A 73 103.597 -23.849 -7.502 1.00 0.00 C ATOM 1068 O ILE A 73 102.950 -23.902 -8.547 1.00 0.00 O ATOM 1069 CB ILE A 73 101.591 -22.702 -6.468 1.00 0.00 C ATOM 1070 CG1 ILE A 73 100.638 -23.813 -6.924 1.00 0.00 C ATOM 1071 CG2 ILE A 73 101.650 -21.605 -7.535 1.00 0.00 C ATOM 1072 CD1 ILE A 73 99.199 -23.435 -6.565 1.00 0.00 C ATOM 0 H ILE A 73 104.407 -21.742 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 73 102.893 -24.107 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 73 101.225 -22.267 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 73 100.727 -23.964 -8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 73 100.907 -24.755 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.650 -21.203 -7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 73 102.312 -20.807 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.030 -22.024 -8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 73 98.523 -24.226 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 73 99.115 -23.307 -5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.933 -22.503 -7.063 1.00 0.00 H new ATOM 1084 N ASN A 74 104.859 -24.260 -7.413 1.00 0.00 N ATOM 1085 CA ASN A 74 105.583 -24.769 -8.576 1.00 0.00 C ATOM 1086 C ASN A 74 107.030 -25.074 -8.205 1.00 0.00 C ATOM 1087 O ASN A 74 107.474 -24.770 -7.097 1.00 0.00 O ATOM 1088 CB ASN A 74 105.561 -23.752 -9.733 1.00 0.00 C ATOM 1089 CG ASN A 74 105.818 -22.311 -9.267 1.00 0.00 C ATOM 1090 OD1 ASN A 74 105.453 -21.371 -9.973 1.00 0.00 O ATOM 1091 ND2 ASN A 74 106.422 -22.067 -8.131 1.00 0.00 N ATOM 0 H ASN A 74 105.402 -24.251 -6.549 1.00 0.00 H new ATOM 0 HA ASN A 74 105.086 -25.683 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 74 106.315 -24.030 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 74 104.594 -23.800 -10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 74 106.587 -21.104 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 74 106.728 -22.840 -7.540 1.00 0.00 H new ATOM 1098 N ASP A 75 107.762 -25.677 -9.135 1.00 0.00 N ATOM 1099 CA ASP A 75 109.165 -25.996 -8.900 1.00 0.00 C ATOM 1100 C ASP A 75 109.983 -24.727 -8.669 1.00 0.00 C ATOM 1101 O ASP A 75 110.883 -24.705 -7.830 1.00 0.00 O ATOM 1102 CB ASP A 75 109.732 -26.763 -10.097 1.00 0.00 C ATOM 1103 CG ASP A 75 109.047 -28.121 -10.240 1.00 0.00 C ATOM 1104 OD1 ASP A 75 108.628 -28.670 -9.233 1.00 0.00 O ATOM 1105 OD2 ASP A 75 108.952 -28.594 -11.360 1.00 0.00 O ATOM 0 H ASP A 75 107.411 -25.953 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 75 109.229 -26.616 -8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 75 109.591 -26.181 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 75 110.806 -26.903 -9.971 1.00 0.00 H new ATOM 1110 N TRP A 76 109.669 -23.672 -9.415 1.00 0.00 N ATOM 1111 CA TRP A 76 110.413 -22.420 -9.301 1.00 0.00 C ATOM 1112 C TRP A 76 109.502 -21.215 -9.520 1.00 0.00 C ATOM 1113 O TRP A 76 108.322 -21.362 -9.835 1.00 0.00 O ATOM 1114 CB TRP A 76 111.549 -22.399 -10.325 1.00 0.00 C ATOM 1115 CG TRP A 76 111.086 -22.592 -11.733 1.00 0.00 C ATOM 1116 CD1 TRP A 76 110.661 -23.765 -12.255 1.00 0.00 C ATOM 1117 CD2 TRP A 76 111.000 -21.611 -12.809 1.00 0.00 C ATOM 1118 NE1 TRP A 76 110.315 -23.568 -13.579 1.00 0.00 N ATOM 1119 CE2 TRP A 76 110.506 -22.258 -13.969 1.00 0.00 C ATOM 1120 CE3 TRP A 76 111.295 -20.240 -12.891 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 110.313 -21.565 -15.166 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 111.104 -19.541 -14.092 1.00 0.00 C ATOM 1123 CH2 TRP A 76 110.615 -20.201 -15.227 1.00 0.00 C ATOM 0 H TRP A 76 108.912 -23.657 -10.099 1.00 0.00 H new ATOM 0 HA TRP A 76 110.824 -22.359 -8.293 1.00 0.00 H new ATOM 0 HB2 TRP A 76 112.076 -21.448 -10.251 1.00 0.00 H new ATOM 0 HB3 TRP A 76 112.266 -23.181 -10.076 1.00 0.00 H new ATOM 0 HD1 TRP A 76 110.602 -24.703 -11.724 1.00 0.00 H new ATOM 0 HE1 TRP A 76 109.961 -24.302 -14.193 1.00 0.00 H new ATOM 0 HE3 TRP A 76 111.672 -19.720 -12.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 109.934 -22.078 -16.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 111.335 -18.487 -14.142 1.00 0.00 H new ATOM 0 HH2 TRP A 76 110.471 -19.657 -16.149 1.00 0.00 H new ATOM 1134 N ALA A 77 110.069 -20.019 -9.361 1.00 0.00 N ATOM 1135 CA ALA A 77 109.325 -18.771 -9.541 1.00 0.00 C ATOM 1136 C ALA A 77 108.288 -18.580 -8.439 1.00 0.00 C ATOM 1137 O ALA A 77 107.221 -19.191 -8.461 1.00 0.00 O ATOM 1138 CB ALA A 77 108.631 -18.740 -10.909 1.00 0.00 C ATOM 0 H ALA A 77 111.048 -19.887 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 77 110.045 -17.955 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 77 108.085 -17.803 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 77 109.379 -18.819 -11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 77 107.936 -19.576 -10.983 1.00 0.00 H new ATOM 1144 N SER A 78 108.604 -17.707 -7.486 1.00 0.00 N ATOM 1145 CA SER A 78 107.698 -17.407 -6.381 1.00 0.00 C ATOM 1146 C SER A 78 107.269 -15.946 -6.456 1.00 0.00 C ATOM 1147 O SER A 78 108.018 -15.108 -6.958 1.00 0.00 O ATOM 1148 CB SER A 78 108.393 -17.671 -5.045 1.00 0.00 C ATOM 1149 OG SER A 78 107.461 -17.483 -3.988 1.00 0.00 O ATOM 0 H SER A 78 109.485 -17.193 -7.457 1.00 0.00 H new ATOM 0 HA SER A 78 106.820 -18.049 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 78 108.788 -18.687 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 78 109.241 -16.997 -4.923 1.00 0.00 H new ATOM 0 HG SER A 78 106.568 -17.755 -4.287 1.00 0.00 H new ATOM 1155 N ILE A 79 106.070 -15.634 -5.962 1.00 0.00 N ATOM 1156 CA ILE A 79 105.545 -14.273 -6.078 1.00 0.00 C ATOM 1157 C ILE A 79 105.171 -13.741 -4.700 1.00 0.00 C ATOM 1158 O ILE A 79 104.829 -14.514 -3.811 1.00 0.00 O ATOM 1159 CB ILE A 79 104.323 -14.272 -7.007 1.00 0.00 C ATOM 1160 CG1 ILE A 79 103.789 -12.846 -7.174 1.00 0.00 C ATOM 1161 CG2 ILE A 79 103.220 -15.167 -6.432 1.00 0.00 C ATOM 1162 CD1 ILE A 79 102.873 -12.781 -8.397 1.00 0.00 C ATOM 0 H ILE A 79 105.453 -16.292 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 79 106.310 -13.623 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 79 104.627 -14.658 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 79 103.242 -12.545 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 79 104.618 -12.148 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 79 102.359 -15.158 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 79 103.593 -16.187 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 79 102.923 -14.794 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 79 102.494 -11.766 -8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 79 103.434 -13.064 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 79 102.037 -13.467 -8.262 1.00 0.00 H new ATOM 1174 N TYR A 80 105.240 -12.424 -4.530 1.00 0.00 N ATOM 1175 CA TYR A 80 104.874 -11.823 -3.255 1.00 0.00 C ATOM 1176 C TYR A 80 104.268 -10.441 -3.456 1.00 0.00 C ATOM 1177 O TYR A 80 104.491 -9.800 -4.481 1.00 0.00 O ATOM 1178 CB TYR A 80 106.107 -11.734 -2.350 1.00 0.00 C ATOM 1179 CG TYR A 80 107.156 -10.759 -2.836 1.00 0.00 C ATOM 1180 CD1 TYR A 80 107.113 -9.421 -2.427 1.00 0.00 C ATOM 1181 CD2 TYR A 80 108.172 -11.195 -3.696 1.00 0.00 C ATOM 1182 CE1 TYR A 80 108.085 -8.519 -2.877 1.00 0.00 C ATOM 1183 CE2 TYR A 80 109.143 -10.293 -4.146 1.00 0.00 C ATOM 1184 CZ TYR A 80 109.100 -8.955 -3.736 1.00 0.00 C ATOM 1185 OH TYR A 80 110.058 -8.065 -4.180 1.00 0.00 O ATOM 0 H TYR A 80 105.541 -11.763 -5.247 1.00 0.00 H new ATOM 0 HA TYR A 80 104.123 -12.454 -2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 80 105.790 -11.442 -1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 80 106.556 -12.724 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 80 106.330 -9.084 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 80 108.206 -12.227 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 80 108.051 -7.487 -2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 80 109.926 -10.629 -4.810 1.00 0.00 H new ATOM 0 HH TYR A 80 109.642 -7.408 -4.776 1.00 0.00 H new ATOM 1195 N GLY A 81 103.519 -9.985 -2.458 1.00 0.00 N ATOM 1196 CA GLY A 81 102.959 -8.638 -2.487 1.00 0.00 C ATOM 1197 C GLY A 81 103.206 -7.954 -1.151 1.00 0.00 C ATOM 1198 O GLY A 81 103.149 -8.597 -0.104 1.00 0.00 O ATOM 0 H GLY A 81 103.286 -10.524 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 81 103.414 -8.061 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 81 101.889 -8.682 -2.692 1.00 0.00 H new ATOM 1202 N VAL A 82 103.430 -6.644 -1.183 1.00 0.00 N ATOM 1203 CA VAL A 82 103.841 -5.917 0.015 1.00 0.00 C ATOM 1204 C VAL A 82 103.048 -4.627 0.180 1.00 0.00 C ATOM 1205 O VAL A 82 102.597 -4.030 -0.798 1.00 0.00 O ATOM 1206 CB VAL A 82 105.333 -5.572 -0.057 1.00 0.00 C ATOM 1207 CG1 VAL A 82 106.173 -6.851 -0.075 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.615 -4.761 -1.327 1.00 0.00 C ATOM 0 H VAL A 82 103.335 -6.067 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 82 103.648 -6.564 0.871 1.00 0.00 H new ATOM 0 HB VAL A 82 105.599 -4.983 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 82 107.230 -6.591 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.984 -7.423 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 82 105.904 -7.451 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.676 -4.517 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.337 -5.348 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.032 -3.840 -1.308 1.00 0.00 H new ATOM 1218 N VAL A 83 102.908 -4.213 1.433 1.00 0.00 N ATOM 1219 CA VAL A 83 102.332 -2.917 1.763 1.00 0.00 C ATOM 1220 C VAL A 83 103.198 -2.280 2.844 1.00 0.00 C ATOM 1221 O VAL A 83 103.863 -3.004 3.587 1.00 0.00 O ATOM 1222 CB VAL A 83 100.888 -3.095 2.249 1.00 0.00 C ATOM 1223 CG1 VAL A 83 100.856 -3.993 3.490 1.00 0.00 C ATOM 1224 CG2 VAL A 83 100.285 -1.731 2.597 1.00 0.00 C ATOM 0 H VAL A 83 103.189 -4.763 2.245 1.00 0.00 H new ATOM 0 HA VAL A 83 102.308 -2.271 0.885 1.00 0.00 H new ATOM 0 HB VAL A 83 100.306 -3.560 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 83 99.826 -4.112 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 83 101.273 -4.970 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 83 101.446 -3.537 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 83 99.259 -1.864 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 83 100.875 -1.263 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 83 100.291 -1.094 1.712 1.00 0.00 H new ATOM 1234 N GLY A 84 103.211 -0.949 2.926 1.00 0.00 N ATOM 1235 CA GLY A 84 104.022 -0.291 3.947 1.00 0.00 C ATOM 1236 C GLY A 84 103.672 1.179 4.098 1.00 0.00 C ATOM 1237 O GLY A 84 102.798 1.701 3.406 1.00 0.00 O ATOM 0 H GLY A 84 102.685 -0.322 2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 84 103.881 -0.796 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 84 105.077 -0.387 3.689 1.00 0.00 H new ATOM 1241 N VAL A 85 104.407 1.843 4.983 1.00 0.00 N ATOM 1242 CA VAL A 85 104.159 3.244 5.285 1.00 0.00 C ATOM 1243 C VAL A 85 105.489 3.981 5.340 1.00 0.00 C ATOM 1244 O VAL A 85 106.486 3.430 5.805 1.00 0.00 O ATOM 1245 CB VAL A 85 103.406 3.369 6.617 1.00 0.00 C ATOM 1246 CG1 VAL A 85 104.245 2.786 7.759 1.00 0.00 C ATOM 1247 CG2 VAL A 85 103.110 4.844 6.907 1.00 0.00 C ATOM 0 H VAL A 85 105.181 1.431 5.504 1.00 0.00 H new ATOM 0 HA VAL A 85 103.539 3.689 4.506 1.00 0.00 H new ATOM 0 HB VAL A 85 102.471 2.814 6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 85 103.699 2.881 8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 85 104.446 1.733 7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 85 105.188 3.328 7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 85 102.575 4.929 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 85 104.047 5.398 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 85 102.497 5.256 6.106 1.00 0.00 H new ATOM 1257 N GLY A 86 105.511 5.212 4.843 1.00 0.00 N ATOM 1258 CA GLY A 86 106.751 5.982 4.801 1.00 0.00 C ATOM 1259 C GLY A 86 106.548 7.398 5.320 1.00 0.00 C ATOM 1260 O GLY A 86 105.444 7.937 5.271 1.00 0.00 O ATOM 0 H GLY A 86 104.695 5.695 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 86 107.512 5.480 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 86 107.123 6.019 3.777 1.00 0.00 H new ATOM 1264 N TYR A 87 107.635 7.988 5.803 1.00 0.00 N ATOM 1265 CA TYR A 87 107.611 9.357 6.306 1.00 0.00 C ATOM 1266 C TYR A 87 108.536 10.207 5.447 1.00 0.00 C ATOM 1267 O TYR A 87 109.643 9.779 5.123 1.00 0.00 O ATOM 1268 CB TYR A 87 108.089 9.398 7.762 1.00 0.00 C ATOM 1269 CG TYR A 87 107.439 8.364 8.654 1.00 0.00 C ATOM 1270 CD1 TYR A 87 106.119 8.537 9.088 1.00 0.00 C ATOM 1271 CD2 TYR A 87 108.161 7.229 9.044 1.00 0.00 C ATOM 1272 CE1 TYR A 87 105.522 7.573 9.910 1.00 0.00 C ATOM 1273 CE2 TYR A 87 107.564 6.268 9.867 1.00 0.00 C ATOM 1274 CZ TYR A 87 106.245 6.440 10.301 1.00 0.00 C ATOM 1275 OH TYR A 87 105.655 5.491 11.111 1.00 0.00 O ATOM 0 H TYR A 87 108.548 7.537 5.857 1.00 0.00 H new ATOM 0 HA TYR A 87 106.592 9.742 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 87 109.169 9.253 7.783 1.00 0.00 H new ATOM 0 HB3 TYR A 87 107.893 10.389 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 87 105.562 9.413 8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 87 109.179 7.096 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 87 104.503 7.704 10.243 1.00 0.00 H new ATOM 0 HE2 TYR A 87 108.121 5.393 10.167 1.00 0.00 H new ATOM 0 HH TYR A 87 106.293 4.769 11.287 1.00 0.00 H new ATOM 1285 N GLY A 88 108.079 11.395 5.060 1.00 0.00 N ATOM 1286 CA GLY A 88 108.877 12.261 4.197 1.00 0.00 C ATOM 1287 C GLY A 88 108.880 13.703 4.691 1.00 0.00 C ATOM 1288 O GLY A 88 107.918 14.164 5.311 1.00 0.00 O ATOM 0 H GLY A 88 107.171 11.777 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 88 109.901 11.889 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 88 108.483 12.225 3.181 1.00 0.00 H new ATOM 1292 N LYS A 89 109.978 14.399 4.409 1.00 0.00 N ATOM 1293 CA LYS A 89 110.100 15.808 4.759 1.00 0.00 C ATOM 1294 C LYS A 89 110.756 16.567 3.611 1.00 0.00 C ATOM 1295 O LYS A 89 111.772 16.124 3.073 1.00 0.00 O ATOM 1296 CB LYS A 89 110.941 15.963 6.029 1.00 0.00 C ATOM 1297 CG LYS A 89 110.961 17.432 6.456 1.00 0.00 C ATOM 1298 CD LYS A 89 111.717 17.570 7.779 1.00 0.00 C ATOM 1299 CE LYS A 89 113.198 17.261 7.556 1.00 0.00 C ATOM 1300 NZ LYS A 89 114.002 17.857 8.659 1.00 0.00 N ATOM 0 H LYS A 89 110.795 14.009 3.939 1.00 0.00 H new ATOM 0 HA LYS A 89 109.106 16.216 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 89 110.528 15.347 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 89 111.957 15.612 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 89 111.439 18.039 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 89 109.942 17.803 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 89 111.601 18.580 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 89 111.300 16.889 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 89 113.354 16.183 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 89 113.524 17.663 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 115.009 17.647 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 113.862 18.887 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 113.697 17.454 9.568 1.00 0.00 H new ATOM 1314 N PHE A 90 110.163 17.696 3.234 1.00 0.00 N ATOM 1315 CA PHE A 90 110.686 18.501 2.135 1.00 0.00 C ATOM 1316 C PHE A 90 110.615 19.988 2.472 1.00 0.00 C ATOM 1317 O PHE A 90 109.806 20.408 3.299 1.00 0.00 O ATOM 1318 CB PHE A 90 109.891 18.215 0.859 1.00 0.00 C ATOM 1319 CG PHE A 90 108.423 18.552 0.975 1.00 0.00 C ATOM 1320 CD1 PHE A 90 107.517 17.583 1.424 1.00 0.00 C ATOM 1321 CD2 PHE A 90 107.969 19.831 0.635 1.00 0.00 C ATOM 1322 CE1 PHE A 90 106.155 17.895 1.533 1.00 0.00 C ATOM 1323 CE2 PHE A 90 106.609 20.143 0.744 1.00 0.00 C ATOM 1324 CZ PHE A 90 105.701 19.175 1.192 1.00 0.00 C ATOM 0 H PHE A 90 109.323 18.073 3.672 1.00 0.00 H new ATOM 0 HA PHE A 90 111.731 18.235 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 90 110.323 18.785 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 90 109.994 17.160 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 90 107.868 16.596 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 90 108.668 20.578 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 90 105.456 17.148 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 90 106.259 21.131 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 90 104.651 19.416 1.274 1.00 0.00 H new ATOM 1334 N GLN A 91 111.467 20.780 1.826 1.00 0.00 N ATOM 1335 CA GLN A 91 111.534 22.211 2.108 1.00 0.00 C ATOM 1336 C GLN A 91 110.779 23.016 1.054 1.00 0.00 C ATOM 1337 O GLN A 91 111.061 22.916 -0.141 1.00 0.00 O ATOM 1338 CB GLN A 91 112.995 22.663 2.147 1.00 0.00 C ATOM 1339 CG GLN A 91 113.075 24.114 2.627 1.00 0.00 C ATOM 1340 CD GLN A 91 112.820 24.181 4.128 1.00 0.00 C ATOM 1341 OE1 GLN A 91 113.598 23.644 4.916 1.00 0.00 O ATOM 1342 NE2 GLN A 91 111.769 24.814 4.575 1.00 0.00 N ATOM 0 H GLN A 91 112.116 20.458 1.108 1.00 0.00 H new ATOM 0 HA GLN A 91 111.066 22.388 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 91 113.567 22.018 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 91 113.440 22.573 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 91 114.057 24.528 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 91 112.341 24.722 2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 91 111.125 25.259 3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 91 111.592 24.864 5.578 1.00 0.00 H new ATOM 1351 N THR A 92 109.819 23.811 1.511 1.00 0.00 N ATOM 1352 CA THR A 92 109.043 24.670 0.622 1.00 0.00 C ATOM 1353 C THR A 92 108.906 26.059 1.236 1.00 0.00 C ATOM 1354 O THR A 92 109.169 26.240 2.426 1.00 0.00 O ATOM 1355 CB THR A 92 107.654 24.068 0.395 1.00 0.00 C ATOM 1356 OG1 THR A 92 107.787 22.694 0.062 1.00 0.00 O ATOM 1357 CG2 THR A 92 106.952 24.804 -0.748 1.00 0.00 C ATOM 0 H THR A 92 109.558 23.879 2.495 1.00 0.00 H new ATOM 0 HA THR A 92 109.559 24.749 -0.335 1.00 0.00 H new ATOM 0 HB THR A 92 107.062 24.170 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 92 107.533 22.145 0.833 1.00 0.00 H new ATOM 0 HG21 THR A 92 105.964 24.372 -0.906 1.00 0.00 H new ATOM 0 HG22 THR A 92 106.851 25.859 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 92 107.541 24.706 -1.660 1.00 0.00 H new ATOM 1365 N THR A 93 108.496 27.039 0.432 1.00 0.00 N ATOM 1366 CA THR A 93 108.278 28.386 0.951 1.00 0.00 C ATOM 1367 C THR A 93 106.791 28.595 1.220 1.00 0.00 C ATOM 1368 O THR A 93 105.954 28.405 0.337 1.00 0.00 O ATOM 1369 CB THR A 93 108.771 29.425 -0.057 1.00 0.00 C ATOM 1370 OG1 THR A 93 110.127 29.160 -0.383 1.00 0.00 O ATOM 1371 CG2 THR A 93 108.652 30.824 0.549 1.00 0.00 C ATOM 0 H THR A 93 108.311 26.928 -0.565 1.00 0.00 H new ATOM 0 HA THR A 93 108.836 28.504 1.880 1.00 0.00 H new ATOM 0 HB THR A 93 108.164 29.372 -0.961 1.00 0.00 H new ATOM 0 HG1 THR A 93 110.444 29.824 -1.030 1.00 0.00 H new ATOM 0 HG21 THR A 93 109.004 31.563 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 93 107.610 31.026 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 93 109.257 30.881 1.454 1.00 0.00 H new ATOM 1379 N GLU A 94 106.479 28.994 2.447 1.00 0.00 N ATOM 1380 CA GLU A 94 105.094 29.113 2.895 1.00 0.00 C ATOM 1381 C GLU A 94 105.011 30.034 4.107 1.00 0.00 C ATOM 1382 O GLU A 94 105.955 30.113 4.894 1.00 0.00 O ATOM 1383 CB GLU A 94 104.505 27.752 3.292 1.00 0.00 C ATOM 1384 CG GLU A 94 104.411 26.806 2.085 1.00 0.00 C ATOM 1385 CD GLU A 94 103.697 25.499 2.449 1.00 0.00 C ATOM 1386 OE1 GLU A 94 103.464 25.250 3.624 1.00 0.00 O ATOM 1387 OE2 GLU A 94 103.389 24.756 1.532 1.00 0.00 O ATOM 0 H GLU A 94 107.170 29.242 3.155 1.00 0.00 H new ATOM 0 HA GLU A 94 104.524 29.520 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 94 105.125 27.297 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 94 103.514 27.895 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 94 103.876 27.301 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 94 105.413 26.584 1.717 1.00 0.00 H new ATOM 1394 N TYR A 95 103.888 30.731 4.251 1.00 0.00 N ATOM 1395 CA TYR A 95 103.648 31.500 5.466 1.00 0.00 C ATOM 1396 C TYR A 95 103.155 30.522 6.532 1.00 0.00 C ATOM 1397 O TYR A 95 102.208 29.776 6.282 1.00 0.00 O ATOM 1398 CB TYR A 95 102.589 32.574 5.209 1.00 0.00 C ATOM 1399 CG TYR A 95 102.608 33.698 6.219 1.00 0.00 C ATOM 1400 CD1 TYR A 95 103.405 34.827 5.993 1.00 0.00 C ATOM 1401 CD2 TYR A 95 101.831 33.611 7.379 1.00 0.00 C ATOM 1402 CE1 TYR A 95 103.423 35.869 6.928 1.00 0.00 C ATOM 1403 CE2 TYR A 95 101.848 34.652 8.314 1.00 0.00 C ATOM 1404 CZ TYR A 95 102.644 35.782 8.089 1.00 0.00 C ATOM 1405 OH TYR A 95 102.662 36.808 9.011 1.00 0.00 O ATOM 0 H TYR A 95 103.143 30.779 3.556 1.00 0.00 H new ATOM 0 HA TYR A 95 104.560 32.000 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 95 102.740 32.990 4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 95 101.603 32.109 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 95 104.006 34.894 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 95 101.217 32.739 7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 95 104.038 36.740 6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 95 101.247 34.584 9.209 1.00 0.00 H new ATOM 0 HH TYR A 95 102.065 36.588 9.757 1.00 0.00 H new ATOM 1415 N PRO A 96 103.752 30.498 7.701 1.00 0.00 N ATOM 1416 CA PRO A 96 103.619 29.311 8.598 1.00 0.00 C ATOM 1417 C PRO A 96 102.170 28.952 8.918 1.00 0.00 C ATOM 1418 O PRO A 96 101.349 29.810 9.240 1.00 0.00 O ATOM 1419 CB PRO A 96 104.386 29.705 9.868 1.00 0.00 C ATOM 1420 CG PRO A 96 104.524 31.189 9.818 1.00 0.00 C ATOM 1421 CD PRO A 96 104.540 31.566 8.339 1.00 0.00 C ATOM 0 HA PRO A 96 104.015 28.415 8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 96 103.847 29.393 10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 96 105.363 29.223 9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 96 103.696 31.674 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 96 105.441 31.512 10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 96 104.096 32.547 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 96 105.556 31.604 7.946 1.00 0.00 H new ATOM 1429 N THR A 97 101.886 27.658 8.819 1.00 0.00 N ATOM 1430 CA THR A 97 100.616 27.096 9.262 1.00 0.00 C ATOM 1431 C THR A 97 100.881 26.083 10.370 1.00 0.00 C ATOM 1432 O THR A 97 101.980 25.530 10.444 1.00 0.00 O ATOM 1433 CB THR A 97 99.904 26.413 8.093 1.00 0.00 C ATOM 1434 OG1 THR A 97 99.761 27.336 7.024 1.00 0.00 O ATOM 1435 CG2 THR A 97 98.523 25.932 8.544 1.00 0.00 C ATOM 0 H THR A 97 102.530 26.969 8.429 1.00 0.00 H new ATOM 0 HA THR A 97 99.977 27.895 9.638 1.00 0.00 H new ATOM 0 HB THR A 97 100.492 25.558 7.759 1.00 0.00 H new ATOM 0 HG1 THR A 97 99.307 26.899 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 97 98.017 25.446 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 97 98.635 25.223 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 97 97.932 26.785 8.879 1.00 0.00 H new ATOM 1443 N TYR A 98 99.891 25.838 11.227 1.00 0.00 N ATOM 1444 CA TYR A 98 100.040 24.805 12.248 1.00 0.00 C ATOM 1445 C TYR A 98 99.392 23.511 11.768 1.00 0.00 C ATOM 1446 O TYR A 98 98.199 23.476 11.465 1.00 0.00 O ATOM 1447 CB TYR A 98 99.383 25.258 13.552 1.00 0.00 C ATOM 1448 CG TYR A 98 99.600 24.299 14.699 1.00 0.00 C ATOM 1449 CD1 TYR A 98 100.769 24.381 15.468 1.00 0.00 C ATOM 1450 CD2 TYR A 98 98.636 23.328 14.992 1.00 0.00 C ATOM 1451 CE1 TYR A 98 100.971 23.493 16.529 1.00 0.00 C ATOM 1452 CE2 TYR A 98 98.840 22.438 16.055 1.00 0.00 C ATOM 1453 CZ TYR A 98 100.007 22.521 16.823 1.00 0.00 C ATOM 1454 OH TYR A 98 100.208 21.644 17.870 1.00 0.00 O ATOM 0 H TYR A 98 98.997 26.329 11.236 1.00 0.00 H new ATOM 0 HA TYR A 98 101.101 24.633 12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 98 99.776 26.237 13.827 1.00 0.00 H new ATOM 0 HB3 TYR A 98 98.312 25.379 13.387 1.00 0.00 H new ATOM 0 HD1 TYR A 98 101.513 25.130 15.241 1.00 0.00 H new ATOM 0 HD2 TYR A 98 97.735 23.265 14.399 1.00 0.00 H new ATOM 0 HE1 TYR A 98 101.871 23.557 17.122 1.00 0.00 H new ATOM 0 HE2 TYR A 98 98.097 21.688 16.282 1.00 0.00 H new ATOM 0 HH TYR A 98 99.443 21.035 17.938 1.00 0.00 H new ATOM 1464 N LYS A 99 100.188 22.445 11.702 1.00 0.00 N ATOM 1465 CA LYS A 99 99.695 21.145 11.257 1.00 0.00 C ATOM 1466 C LYS A 99 99.748 20.139 12.403 1.00 0.00 C ATOM 1467 O LYS A 99 100.682 20.152 13.203 1.00 0.00 O ATOM 1468 CB LYS A 99 100.535 20.642 10.081 1.00 0.00 C ATOM 1469 CG LYS A 99 99.864 19.417 9.457 1.00 0.00 C ATOM 1470 CD LYS A 99 100.734 18.882 8.317 1.00 0.00 C ATOM 1471 CE LYS A 99 99.975 17.789 7.560 1.00 0.00 C ATOM 1472 NZ LYS A 99 99.832 16.587 8.429 1.00 0.00 N ATOM 0 H LYS A 99 101.177 22.457 11.951 1.00 0.00 H new ATOM 0 HA LYS A 99 98.660 21.255 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 99 100.643 21.429 9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 99 101.538 20.386 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 99 99.720 18.644 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 99 98.876 19.683 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 99 100.999 19.692 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 99 101.667 18.482 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 99 98.992 18.154 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 99 100.508 17.528 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 100.539 15.875 8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 99.978 16.857 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 98.878 16.188 8.316 1.00 0.00 H new ATOM 1486 N HIS A 100 98.743 19.272 12.477 1.00 0.00 N ATOM 1487 CA HIS A 100 98.697 18.269 13.536 1.00 0.00 C ATOM 1488 C HIS A 100 99.944 17.390 13.503 1.00 0.00 C ATOM 1489 O HIS A 100 100.550 17.120 14.541 1.00 0.00 O ATOM 1490 CB HIS A 100 97.452 17.397 13.376 1.00 0.00 C ATOM 1491 CG HIS A 100 97.268 16.409 14.497 1.00 0.00 C ATOM 1492 ND1 HIS A 100 97.006 16.809 15.798 1.00 0.00 N ATOM 1493 CD2 HIS A 100 97.306 15.037 14.527 1.00 0.00 C ATOM 1494 CE1 HIS A 100 96.898 15.700 16.549 1.00 0.00 C ATOM 1495 NE2 HIS A 100 97.072 14.591 15.826 1.00 0.00 N ATOM 0 H HIS A 100 97.959 19.243 11.826 1.00 0.00 H new ATOM 0 HA HIS A 100 98.659 18.786 14.495 1.00 0.00 H new ATOM 0 HB2 HIS A 100 96.573 18.039 13.319 1.00 0.00 H new ATOM 0 HB3 HIS A 100 97.514 16.857 12.431 1.00 0.00 H new ATOM 0 HD2 HIS A 100 97.489 14.401 13.674 1.00 0.00 H new ATOM 0 HE1 HIS A 100 96.695 15.705 17.610 1.00 0.00 H new ATOM 0 HE2 HIS A 100 97.040 13.626 16.154 1.00 0.00 H new ATOM 1503 N ASP A 101 100.325 16.946 12.309 1.00 0.00 N ATOM 1504 CA ASP A 101 101.494 16.081 12.158 1.00 0.00 C ATOM 1505 C ASP A 101 102.688 16.865 11.619 1.00 0.00 C ATOM 1506 O ASP A 101 102.560 17.633 10.666 1.00 0.00 O ATOM 1507 CB ASP A 101 101.167 14.928 11.206 1.00 0.00 C ATOM 1508 CG ASP A 101 100.047 14.062 11.777 1.00 0.00 C ATOM 1509 OD1 ASP A 101 99.944 13.970 12.991 1.00 0.00 O ATOM 1510 OD2 ASP A 101 99.304 13.500 10.989 1.00 0.00 O ATOM 0 H ASP A 101 99.846 17.168 11.436 1.00 0.00 H new ATOM 0 HA ASP A 101 101.754 15.685 13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 101 100.869 15.324 10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 101 102.057 14.320 11.043 1.00 0.00 H new ATOM 1515 N THR A 102 103.846 16.663 12.238 1.00 0.00 N ATOM 1516 CA THR A 102 105.064 17.346 11.814 1.00 0.00 C ATOM 1517 C THR A 102 105.510 16.880 10.429 1.00 0.00 C ATOM 1518 O THR A 102 105.986 17.677 9.621 1.00 0.00 O ATOM 1519 CB THR A 102 106.182 17.086 12.827 1.00 0.00 C ATOM 1520 OG1 THR A 102 105.730 17.436 14.127 1.00 0.00 O ATOM 1521 CG2 THR A 102 107.409 17.929 12.471 1.00 0.00 C ATOM 0 H THR A 102 103.968 16.034 13.032 1.00 0.00 H new ATOM 0 HA THR A 102 104.852 18.414 11.762 1.00 0.00 H new ATOM 0 HB THR A 102 106.452 16.030 12.804 1.00 0.00 H new ATOM 0 HG1 THR A 102 106.444 17.269 14.778 1.00 0.00 H new ATOM 0 HG21 THR A 102 108.202 17.741 13.195 1.00 0.00 H new ATOM 0 HG22 THR A 102 107.757 17.662 11.473 1.00 0.00 H new ATOM 0 HG23 THR A 102 107.143 18.986 12.491 1.00 0.00 H new ATOM 1529 N SER A 103 105.354 15.585 10.160 1.00 0.00 N ATOM 1530 CA SER A 103 105.827 15.001 8.906 1.00 0.00 C ATOM 1531 C SER A 103 104.663 14.477 8.070 1.00 0.00 C ATOM 1532 O SER A 103 103.559 14.285 8.579 1.00 0.00 O ATOM 1533 CB SER A 103 106.793 13.854 9.204 1.00 0.00 C ATOM 1534 OG SER A 103 106.082 12.798 9.837 1.00 0.00 O ATOM 0 H SER A 103 104.905 14.922 10.792 1.00 0.00 H new ATOM 0 HA SER A 103 106.337 15.780 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 103 107.250 13.498 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 103 107.602 14.201 9.847 1.00 0.00 H new ATOM 0 HG SER A 103 106.696 12.059 10.029 1.00 0.00 H new ATOM 1540 N ASP A 104 104.919 14.249 6.785 1.00 0.00 N ATOM 1541 CA ASP A 104 103.880 13.765 5.881 1.00 0.00 C ATOM 1542 C ASP A 104 103.958 12.248 5.752 1.00 0.00 C ATOM 1543 O ASP A 104 105.048 11.690 5.623 1.00 0.00 O ATOM 1544 CB ASP A 104 104.046 14.408 4.502 1.00 0.00 C ATOM 1545 CG ASP A 104 102.878 14.034 3.592 1.00 0.00 C ATOM 1546 OD1 ASP A 104 101.787 13.831 4.101 1.00 0.00 O ATOM 1547 OD2 ASP A 104 103.092 13.957 2.393 1.00 0.00 O ATOM 0 H ASP A 104 105.830 14.390 6.348 1.00 0.00 H new ATOM 0 HA ASP A 104 102.907 14.037 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 104 104.102 15.492 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 104 104.984 14.081 4.053 1.00 0.00 H new ATOM 1552 N TYR A 105 102.804 11.586 5.785 1.00 0.00 N ATOM 1553 CA TYR A 105 102.761 10.128 5.708 1.00 0.00 C ATOM 1554 C TYR A 105 102.228 9.674 4.352 1.00 0.00 C ATOM 1555 O TYR A 105 101.323 10.292 3.792 1.00 0.00 O ATOM 1556 CB TYR A 105 101.855 9.574 6.808 1.00 0.00 C ATOM 1557 CG TYR A 105 102.182 10.098 8.186 1.00 0.00 C ATOM 1558 CD1 TYR A 105 101.563 11.264 8.653 1.00 0.00 C ATOM 1559 CD2 TYR A 105 103.102 9.421 8.996 1.00 0.00 C ATOM 1560 CE1 TYR A 105 101.863 11.752 9.929 1.00 0.00 C ATOM 1561 CE2 TYR A 105 103.402 9.911 10.273 1.00 0.00 C ATOM 1562 CZ TYR A 105 102.782 11.076 10.740 1.00 0.00 C ATOM 1563 OH TYR A 105 103.077 11.558 11.999 1.00 0.00 O ATOM 0 H TYR A 105 101.891 12.033 5.864 1.00 0.00 H new ATOM 0 HA TYR A 105 103.776 9.752 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 105 100.820 9.820 6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 105 101.931 8.487 6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 105 100.854 11.786 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 105 103.580 8.522 8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 105 101.385 12.651 10.289 1.00 0.00 H new ATOM 0 HE2 TYR A 105 104.112 9.390 10.898 1.00 0.00 H new ATOM 0 HH TYR A 105 103.732 10.970 12.429 1.00 0.00 H new ATOM 1573 N GLY A 106 102.798 8.590 3.831 1.00 0.00 N ATOM 1574 CA GLY A 106 102.365 8.047 2.546 1.00 0.00 C ATOM 1575 C GLY A 106 102.166 6.535 2.619 1.00 0.00 C ATOM 1576 O GLY A 106 102.789 5.857 3.436 1.00 0.00 O ATOM 0 H GLY A 106 103.556 8.073 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 106 101.433 8.524 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 106 103.106 8.282 1.782 1.00 0.00 H new ATOM 1580 N PHE A 107 101.313 6.024 1.736 1.00 0.00 N ATOM 1581 CA PHE A 107 100.989 4.598 1.698 1.00 0.00 C ATOM 1582 C PHE A 107 101.520 3.972 0.410 1.00 0.00 C ATOM 1583 O PHE A 107 101.384 4.570 -0.657 1.00 0.00 O ATOM 1584 CB PHE A 107 99.469 4.434 1.765 1.00 0.00 C ATOM 1585 CG PHE A 107 98.998 2.999 1.757 1.00 0.00 C ATOM 1586 CD1 PHE A 107 98.933 2.275 2.954 1.00 0.00 C ATOM 1587 CD2 PHE A 107 98.611 2.399 0.553 1.00 0.00 C ATOM 1588 CE1 PHE A 107 98.481 0.950 2.945 1.00 0.00 C ATOM 1589 CE2 PHE A 107 98.162 1.073 0.545 1.00 0.00 C ATOM 1590 CZ PHE A 107 98.096 0.349 1.740 1.00 0.00 C ATOM 0 H PHE A 107 100.829 6.580 1.031 1.00 0.00 H new ATOM 0 HA PHE A 107 101.454 4.096 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 107 99.102 4.919 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 107 99.021 4.956 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 107 99.231 2.738 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 107 98.659 2.959 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 107 98.429 0.391 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 107 97.866 0.609 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 107 97.748 -0.673 1.733 1.00 0.00 H new ATOM 1600 N SER A 108 102.122 2.781 0.497 1.00 0.00 N ATOM 1601 CA SER A 108 102.707 2.155 -0.691 1.00 0.00 C ATOM 1602 C SER A 108 102.324 0.682 -0.794 1.00 0.00 C ATOM 1603 O SER A 108 102.154 0.005 0.219 1.00 0.00 O ATOM 1604 CB SER A 108 104.229 2.278 -0.639 1.00 0.00 C ATOM 1605 OG SER A 108 104.724 1.507 0.447 1.00 0.00 O ATOM 0 H SER A 108 102.216 2.242 1.358 1.00 0.00 H new ATOM 0 HA SER A 108 102.317 2.671 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.666 1.931 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.517 3.322 -0.520 1.00 0.00 H new ATOM 0 HG SER A 108 105.700 1.582 0.483 1.00 0.00 H new ATOM 1611 N TYR A 109 102.204 0.201 -2.031 1.00 0.00 N ATOM 1612 CA TYR A 109 101.906 -1.206 -2.285 1.00 0.00 C ATOM 1613 C TYR A 109 102.533 -1.644 -3.607 1.00 0.00 C ATOM 1614 O TYR A 109 102.732 -0.823 -4.501 1.00 0.00 O ATOM 1615 CB TYR A 109 100.393 -1.417 -2.342 1.00 0.00 C ATOM 1616 CG TYR A 109 99.994 -2.862 -2.530 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.785 -3.681 -1.413 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.832 -3.383 -3.820 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.414 -5.021 -1.587 1.00 0.00 C ATOM 1620 CE2 TYR A 109 99.461 -4.721 -3.993 1.00 0.00 C ATOM 1621 CZ TYR A 109 99.253 -5.540 -2.877 1.00 0.00 C ATOM 1622 OH TYR A 109 98.889 -6.861 -3.049 1.00 0.00 O ATOM 0 H TYR A 109 102.309 0.767 -2.873 1.00 0.00 H new ATOM 0 HA TYR A 109 102.323 -1.804 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.947 -1.042 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.982 -0.825 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.910 -3.280 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.993 -2.752 -4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 109 99.252 -5.653 -0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 109 99.335 -5.122 -4.988 1.00 0.00 H new ATOM 0 HH TYR A 109 98.820 -7.059 -4.006 1.00 0.00 H new ATOM 1632 N GLY A 110 102.853 -2.932 -3.726 1.00 0.00 N ATOM 1633 CA GLY A 110 103.423 -3.447 -4.969 1.00 0.00 C ATOM 1634 C GLY A 110 103.610 -4.961 -4.920 1.00 0.00 C ATOM 1635 O GLY A 110 103.235 -5.607 -3.944 1.00 0.00 O ATOM 0 H GLY A 110 102.730 -3.627 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 110 102.771 -3.188 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.384 -2.967 -5.155 1.00 0.00 H new ATOM 1639 N ALA A 111 104.200 -5.516 -5.975 1.00 0.00 N ATOM 1640 CA ALA A 111 104.444 -6.954 -6.043 1.00 0.00 C ATOM 1641 C ALA A 111 105.797 -7.230 -6.693 1.00 0.00 C ATOM 1642 O ALA A 111 106.324 -6.385 -7.418 1.00 0.00 O ATOM 1643 CB ALA A 111 103.337 -7.636 -6.850 1.00 0.00 C ATOM 0 H ALA A 111 104.517 -4.994 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 111 104.448 -7.355 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.528 -8.708 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 111 102.375 -7.458 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.319 -7.228 -7.860 1.00 0.00 H new ATOM 1649 N GLY A 112 106.356 -8.412 -6.437 1.00 0.00 N ATOM 1650 CA GLY A 112 107.675 -8.742 -6.966 1.00 0.00 C ATOM 1651 C GLY A 112 107.791 -10.222 -7.313 1.00 0.00 C ATOM 1652 O GLY A 112 107.044 -11.051 -6.793 1.00 0.00 O ATOM 0 H GLY A 112 105.923 -9.145 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 112 107.870 -8.144 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 112 108.437 -8.480 -6.232 1.00 0.00 H new ATOM 1656 N LEU A 113 108.746 -10.533 -8.188 1.00 0.00 N ATOM 1657 CA LEU A 113 108.998 -11.908 -8.603 1.00 0.00 C ATOM 1658 C LEU A 113 110.487 -12.219 -8.489 1.00 0.00 C ATOM 1659 O LEU A 113 111.321 -11.335 -8.693 1.00 0.00 O ATOM 1660 CB LEU A 113 108.546 -12.113 -10.052 1.00 0.00 C ATOM 1661 CG LEU A 113 107.064 -11.763 -10.191 1.00 0.00 C ATOM 1662 CD1 LEU A 113 106.663 -11.824 -11.667 1.00 0.00 C ATOM 1663 CD2 LEU A 113 106.225 -12.771 -9.402 1.00 0.00 C ATOM 0 H LEU A 113 109.360 -9.845 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 113 108.435 -12.578 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 113 109.140 -11.488 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 113 108.714 -13.148 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 113 106.892 -10.759 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 113 105.607 -11.575 -11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 113 107.260 -11.111 -12.236 1.00 0.00 H new ATOM 0 HD13 LEU A 113 106.837 -12.830 -12.050 1.00 0.00 H new ATOM 0 HD21 LEU A 113 105.169 -12.522 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 113 106.399 -13.774 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 113 106.509 -12.736 -8.350 1.00 0.00 H new ATOM 1675 N GLN A 114 110.814 -13.465 -8.148 1.00 0.00 N ATOM 1676 CA GLN A 114 112.209 -13.890 -8.053 1.00 0.00 C ATOM 1677 C GLN A 114 112.480 -15.053 -9.002 1.00 0.00 C ATOM 1678 O GLN A 114 111.649 -15.948 -9.153 1.00 0.00 O ATOM 1679 CB GLN A 114 112.527 -14.327 -6.620 1.00 0.00 C ATOM 1680 CG GLN A 114 112.398 -13.129 -5.675 1.00 0.00 C ATOM 1681 CD GLN A 114 112.635 -13.560 -4.229 1.00 0.00 C ATOM 1682 OE1 GLN A 114 112.546 -14.745 -3.903 1.00 0.00 O ATOM 1683 NE2 GLN A 114 112.934 -12.660 -3.334 1.00 0.00 N ATOM 0 H GLN A 114 110.134 -14.195 -7.934 1.00 0.00 H new ATOM 0 HA GLN A 114 112.843 -13.047 -8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.846 -15.121 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 114 113.536 -14.735 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 114 113.118 -12.359 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 114 111.406 -12.688 -5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 114 113.008 -11.679 -3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 114 113.094 -12.937 -2.366 1.00 0.00 H new ATOM 1692 N PHE A 115 113.647 -15.033 -9.641 1.00 0.00 N ATOM 1693 CA PHE A 115 114.044 -16.117 -10.538 1.00 0.00 C ATOM 1694 C PHE A 115 115.422 -16.645 -10.156 1.00 0.00 C ATOM 1695 O PHE A 115 116.293 -15.877 -9.750 1.00 0.00 O ATOM 1696 CB PHE A 115 114.062 -15.622 -11.985 1.00 0.00 C ATOM 1697 CG PHE A 115 112.688 -15.307 -12.527 1.00 0.00 C ATOM 1698 CD1 PHE A 115 111.929 -16.316 -13.130 1.00 0.00 C ATOM 1699 CD2 PHE A 115 112.171 -14.010 -12.425 1.00 0.00 C ATOM 1700 CE1 PHE A 115 110.654 -16.030 -13.633 1.00 0.00 C ATOM 1701 CE2 PHE A 115 110.896 -13.722 -12.928 1.00 0.00 C ATOM 1702 CZ PHE A 115 110.137 -14.733 -13.531 1.00 0.00 C ATOM 0 H PHE A 115 114.332 -14.282 -9.556 1.00 0.00 H new ATOM 0 HA PHE A 115 113.319 -16.926 -10.446 1.00 0.00 H new ATOM 0 HB2 PHE A 115 114.683 -14.729 -12.048 1.00 0.00 H new ATOM 0 HB3 PHE A 115 114.528 -16.380 -12.615 1.00 0.00 H new ATOM 0 HD1 PHE A 115 112.327 -17.317 -13.208 1.00 0.00 H new ATOM 0 HD2 PHE A 115 112.756 -13.231 -11.958 1.00 0.00 H new ATOM 0 HE1 PHE A 115 110.070 -16.809 -14.099 1.00 0.00 H new ATOM 0 HE2 PHE A 115 110.498 -12.721 -12.851 1.00 0.00 H new ATOM 0 HZ PHE A 115 109.153 -14.512 -13.917 1.00 0.00 H new ATOM 1712 N ASN A 116 115.614 -17.953 -10.303 1.00 0.00 N ATOM 1713 CA ASN A 116 116.880 -18.588 -9.945 1.00 0.00 C ATOM 1714 C ASN A 116 117.412 -19.429 -11.110 1.00 0.00 C ATOM 1715 O ASN A 116 117.181 -20.640 -11.150 1.00 0.00 O ATOM 1716 CB ASN A 116 116.690 -19.472 -8.707 1.00 0.00 C ATOM 1717 CG ASN A 116 115.571 -20.480 -8.943 1.00 0.00 C ATOM 1718 OD1 ASN A 116 114.399 -20.108 -8.995 1.00 0.00 O ATOM 1719 ND2 ASN A 116 115.864 -21.744 -9.090 1.00 0.00 N ATOM 0 H ASN A 116 114.909 -18.594 -10.667 1.00 0.00 H new ATOM 0 HA ASN A 116 117.607 -17.807 -9.721 1.00 0.00 H new ATOM 0 HB2 ASN A 116 117.619 -19.996 -8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 116 116.454 -18.852 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 116 115.121 -22.425 -9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 116 116.836 -22.051 -9.047 1.00 0.00 H new ATOM 1726 N PRO A 117 118.106 -18.832 -12.058 1.00 0.00 N ATOM 1727 CA PRO A 117 118.659 -19.597 -13.218 1.00 0.00 C ATOM 1728 C PRO A 117 119.859 -20.451 -12.812 1.00 0.00 C ATOM 1729 O PRO A 117 120.105 -20.663 -11.625 1.00 0.00 O ATOM 1730 CB PRO A 117 119.058 -18.511 -14.219 1.00 0.00 C ATOM 1731 CG PRO A 117 119.360 -17.311 -13.391 1.00 0.00 C ATOM 1732 CD PRO A 117 118.463 -17.399 -12.157 1.00 0.00 C ATOM 0 HA PRO A 117 117.938 -20.303 -13.631 1.00 0.00 H new ATOM 0 HB2 PRO A 117 119.926 -18.814 -14.804 1.00 0.00 H new ATOM 0 HB3 PRO A 117 118.252 -18.310 -14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 117 120.412 -17.291 -13.106 1.00 0.00 H new ATOM 0 HG3 PRO A 117 119.164 -16.395 -13.949 1.00 0.00 H new ATOM 0 HD2 PRO A 117 118.984 -17.057 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 117 117.575 -16.776 -12.266 1.00 0.00 H new ATOM 1740 N MET A 118 120.602 -20.940 -13.800 1.00 0.00 N ATOM 1741 CA MET A 118 121.774 -21.767 -13.528 1.00 0.00 C ATOM 1742 C MET A 118 122.750 -21.055 -12.591 1.00 0.00 C ATOM 1743 O MET A 118 123.396 -21.693 -11.759 1.00 0.00 O ATOM 1744 CB MET A 118 122.485 -22.108 -14.839 1.00 0.00 C ATOM 1745 CG MET A 118 121.556 -22.947 -15.720 1.00 0.00 C ATOM 1746 SD MET A 118 122.469 -23.538 -17.167 1.00 0.00 S ATOM 1747 CE MET A 118 123.481 -24.770 -16.309 1.00 0.00 C ATOM 0 H MET A 118 120.416 -20.780 -14.790 1.00 0.00 H new ATOM 0 HA MET A 118 121.435 -22.682 -13.042 1.00 0.00 H new ATOM 0 HB2 MET A 118 122.769 -21.193 -15.359 1.00 0.00 H new ATOM 0 HB3 MET A 118 123.404 -22.657 -14.635 1.00 0.00 H new ATOM 0 HG2 MET A 118 121.165 -23.792 -15.153 1.00 0.00 H new ATOM 0 HG3 MET A 118 120.700 -22.351 -16.035 1.00 0.00 H new ATOM 0 HE1 MET A 118 123.742 -25.572 -17.000 1.00 0.00 H new ATOM 0 HE2 MET A 118 124.392 -24.299 -15.939 1.00 0.00 H new ATOM 0 HE3 MET A 118 122.919 -25.182 -15.471 1.00 0.00 H new ATOM 1757 N GLU A 119 122.855 -19.736 -12.727 1.00 0.00 N ATOM 1758 CA GLU A 119 123.741 -18.949 -11.874 1.00 0.00 C ATOM 1759 C GLU A 119 123.420 -19.181 -10.401 1.00 0.00 C ATOM 1760 O GLU A 119 122.284 -19.495 -10.044 1.00 0.00 O ATOM 1761 CB GLU A 119 123.595 -17.462 -12.200 1.00 0.00 C ATOM 1762 CG GLU A 119 124.016 -17.211 -13.653 1.00 0.00 C ATOM 1763 CD GLU A 119 123.970 -15.721 -14.009 1.00 0.00 C ATOM 1764 OE1 GLU A 119 123.447 -14.936 -13.233 1.00 0.00 O ATOM 1765 OE2 GLU A 119 124.470 -15.382 -15.070 1.00 0.00 O ATOM 0 H GLU A 119 122.339 -19.191 -13.418 1.00 0.00 H new ATOM 0 HA GLU A 119 124.767 -19.265 -12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 119 122.563 -17.146 -12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 119 124.211 -16.869 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 119 125.025 -17.591 -13.810 1.00 0.00 H new ATOM 0 HG3 GLU A 119 123.359 -17.765 -14.323 1.00 0.00 H new ATOM 1772 N ASN A 120 124.428 -19.025 -9.548 1.00 0.00 N ATOM 1773 CA ASN A 120 124.247 -19.247 -8.114 1.00 0.00 C ATOM 1774 C ASN A 120 123.612 -18.047 -7.397 1.00 0.00 C ATOM 1775 O ASN A 120 123.603 -18.000 -6.167 1.00 0.00 O ATOM 1776 CB ASN A 120 125.601 -19.555 -7.470 1.00 0.00 C ATOM 1777 CG ASN A 120 126.192 -20.830 -8.065 1.00 0.00 C ATOM 1778 OD1 ASN A 120 125.461 -21.674 -8.584 1.00 0.00 O ATOM 1779 ND2 ASN A 120 127.482 -21.021 -8.020 1.00 0.00 N ATOM 0 H ASN A 120 125.371 -18.748 -9.820 1.00 0.00 H new ATOM 0 HA ASN A 120 123.563 -20.089 -8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 120 126.285 -18.721 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 120 125.481 -19.670 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 120 127.886 -21.870 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 120 128.086 -20.321 -7.590 1.00 0.00 H new ATOM 1786 N VAL A 121 123.081 -17.080 -8.149 1.00 0.00 N ATOM 1787 CA VAL A 121 122.434 -15.915 -7.553 1.00 0.00 C ATOM 1788 C VAL A 121 121.021 -15.755 -8.109 1.00 0.00 C ATOM 1789 O VAL A 121 120.716 -16.243 -9.197 1.00 0.00 O ATOM 1790 CB VAL A 121 123.254 -14.655 -7.845 1.00 0.00 C ATOM 1791 CG1 VAL A 121 124.643 -14.797 -7.218 1.00 0.00 C ATOM 1792 CG2 VAL A 121 123.401 -14.474 -9.358 1.00 0.00 C ATOM 0 H VAL A 121 123.088 -17.083 -9.169 1.00 0.00 H new ATOM 0 HA VAL A 121 122.374 -16.060 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 121 122.745 -13.788 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 121 125.229 -13.901 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 121 124.544 -14.925 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 121 125.147 -15.666 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 121 123.985 -13.577 -9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 121 123.909 -15.341 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 121 122.414 -14.375 -9.810 1.00 0.00 H new ATOM 1802 N ALA A 122 120.162 -15.070 -7.358 1.00 0.00 N ATOM 1803 CA ALA A 122 118.773 -14.882 -7.768 1.00 0.00 C ATOM 1804 C ALA A 122 118.493 -13.408 -8.032 1.00 0.00 C ATOM 1805 O ALA A 122 119.086 -12.537 -7.398 1.00 0.00 O ATOM 1806 CB ALA A 122 117.835 -15.390 -6.671 1.00 0.00 C ATOM 0 H ALA A 122 120.402 -14.638 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 122 118.601 -15.446 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.800 -15.247 -6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 122 118.019 -16.450 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 122 118.017 -14.835 -5.751 1.00 0.00 H new ATOM 1812 N LEU A 123 117.577 -13.140 -8.958 1.00 0.00 N ATOM 1813 CA LEU A 123 117.239 -11.767 -9.326 1.00 0.00 C ATOM 1814 C LEU A 123 115.825 -11.443 -8.864 1.00 0.00 C ATOM 1815 O LEU A 123 114.939 -12.294 -8.944 1.00 0.00 O ATOM 1816 CB LEU A 123 117.334 -11.588 -10.844 1.00 0.00 C ATOM 1817 CG LEU A 123 118.731 -11.977 -11.337 1.00 0.00 C ATOM 1818 CD1 LEU A 123 118.778 -11.876 -12.862 1.00 0.00 C ATOM 1819 CD2 LEU A 123 119.773 -11.026 -10.739 1.00 0.00 C ATOM 0 H LEU A 123 117.056 -13.854 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 123 117.944 -11.090 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 123 116.582 -12.203 -11.338 1.00 0.00 H new ATOM 0 HB3 LEU A 123 117.122 -10.552 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 123 118.950 -12.999 -11.027 1.00 0.00 H new ATOM 0 HD11 LEU A 123 119.772 -12.153 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 123 118.039 -12.551 -13.294 1.00 0.00 H new ATOM 0 HD13 LEU A 123 118.557 -10.853 -13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 123 120.766 -11.306 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 123 119.553 -10.004 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 123 119.743 -11.091 -9.651 1.00 0.00 H new ATOM 1831 N ASP A 124 115.612 -10.220 -8.385 1.00 0.00 N ATOM 1832 CA ASP A 124 114.295 -9.819 -7.900 1.00 0.00 C ATOM 1833 C ASP A 124 113.903 -8.469 -8.486 1.00 0.00 C ATOM 1834 O ASP A 124 114.717 -7.548 -8.526 1.00 0.00 O ATOM 1835 CB ASP A 124 114.312 -9.727 -6.372 1.00 0.00 C ATOM 1836 CG ASP A 124 112.918 -9.391 -5.850 1.00 0.00 C ATOM 1837 OD1 ASP A 124 112.165 -10.313 -5.588 1.00 0.00 O ATOM 1838 OD2 ASP A 124 112.625 -8.214 -5.719 1.00 0.00 O ATOM 0 H ASP A 124 116.327 -9.496 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 124 113.565 -10.566 -8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 124 114.650 -10.672 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 124 115.022 -8.963 -6.054 1.00 0.00 H new ATOM 1843 N PHE A 125 112.660 -8.366 -8.947 1.00 0.00 N ATOM 1844 CA PHE A 125 112.154 -7.098 -9.463 1.00 0.00 C ATOM 1845 C PHE A 125 110.708 -6.899 -9.029 1.00 0.00 C ATOM 1846 O PHE A 125 109.949 -7.862 -8.932 1.00 0.00 O ATOM 1847 CB PHE A 125 112.248 -7.071 -10.990 1.00 0.00 C ATOM 1848 CG PHE A 125 111.418 -8.136 -11.666 1.00 0.00 C ATOM 1849 CD1 PHE A 125 110.092 -7.869 -12.026 1.00 0.00 C ATOM 1850 CD2 PHE A 125 111.978 -9.390 -11.938 1.00 0.00 C ATOM 1851 CE1 PHE A 125 109.324 -8.856 -12.656 1.00 0.00 C ATOM 1852 CE2 PHE A 125 111.210 -10.377 -12.567 1.00 0.00 C ATOM 1853 CZ PHE A 125 109.884 -10.109 -12.927 1.00 0.00 C ATOM 0 H PHE A 125 111.991 -9.136 -8.974 1.00 0.00 H new ATOM 0 HA PHE A 125 112.762 -6.289 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 125 111.929 -6.092 -11.348 1.00 0.00 H new ATOM 0 HB3 PHE A 125 113.290 -7.194 -11.284 1.00 0.00 H new ATOM 0 HD1 PHE A 125 109.661 -6.901 -11.818 1.00 0.00 H new ATOM 0 HD2 PHE A 125 113.002 -9.596 -11.663 1.00 0.00 H new ATOM 0 HE1 PHE A 125 108.300 -8.650 -12.932 1.00 0.00 H new ATOM 0 HE2 PHE A 125 111.641 -11.345 -12.775 1.00 0.00 H new ATOM 0 HZ PHE A 125 109.293 -10.870 -13.414 1.00 0.00 H new ATOM 1863 N SER A 126 110.335 -5.652 -8.762 1.00 0.00 N ATOM 1864 CA SER A 126 108.986 -5.359 -8.290 1.00 0.00 C ATOM 1865 C SER A 126 108.472 -4.048 -8.873 1.00 0.00 C ATOM 1866 O SER A 126 109.251 -3.170 -9.244 1.00 0.00 O ATOM 1867 CB SER A 126 108.982 -5.270 -6.763 1.00 0.00 C ATOM 1868 OG SER A 126 109.510 -6.474 -6.224 1.00 0.00 O ATOM 0 H SER A 126 110.939 -4.836 -8.863 1.00 0.00 H new ATOM 0 HA SER A 126 108.329 -6.165 -8.618 1.00 0.00 H new ATOM 0 HB2 SER A 126 109.578 -4.418 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 126 107.967 -5.108 -6.399 1.00 0.00 H new ATOM 0 HG SER A 126 110.442 -6.332 -5.956 1.00 0.00 H new ATOM 1874 N TYR A 127 107.150 -3.924 -8.951 1.00 0.00 N ATOM 1875 CA TYR A 127 106.522 -2.676 -9.373 1.00 0.00 C ATOM 1876 C TYR A 127 105.789 -2.058 -8.188 1.00 0.00 C ATOM 1877 O TYR A 127 104.875 -2.664 -7.631 1.00 0.00 O ATOM 1878 CB TYR A 127 105.528 -2.947 -10.504 1.00 0.00 C ATOM 1879 CG TYR A 127 106.142 -3.643 -11.694 1.00 0.00 C ATOM 1880 CD1 TYR A 127 106.159 -5.042 -11.753 1.00 0.00 C ATOM 1881 CD2 TYR A 127 106.692 -2.892 -12.740 1.00 0.00 C ATOM 1882 CE1 TYR A 127 106.727 -5.689 -12.858 1.00 0.00 C ATOM 1883 CE2 TYR A 127 107.259 -3.540 -13.845 1.00 0.00 C ATOM 1884 CZ TYR A 127 107.276 -4.938 -13.903 1.00 0.00 C ATOM 1885 OH TYR A 127 107.836 -5.576 -14.991 1.00 0.00 O ATOM 0 H TYR A 127 106.493 -4.672 -8.728 1.00 0.00 H new ATOM 0 HA TYR A 127 107.289 -1.989 -9.731 1.00 0.00 H new ATOM 0 HB2 TYR A 127 104.710 -3.556 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 127 105.095 -2.001 -10.830 1.00 0.00 H new ATOM 0 HD1 TYR A 127 105.734 -5.622 -10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 127 106.679 -1.813 -12.695 1.00 0.00 H new ATOM 0 HE1 TYR A 127 106.741 -6.768 -12.903 1.00 0.00 H new ATOM 0 HE2 TYR A 127 107.683 -2.961 -14.652 1.00 0.00 H new ATOM 0 HH TYR A 127 108.170 -4.908 -15.626 1.00 0.00 H new ATOM 1895 N GLU A 128 106.192 -0.849 -7.803 1.00 0.00 N ATOM 1896 CA GLU A 128 105.629 -0.204 -6.619 1.00 0.00 C ATOM 1897 C GLU A 128 105.012 1.148 -6.962 1.00 0.00 C ATOM 1898 O GLU A 128 105.576 1.927 -7.731 1.00 0.00 O ATOM 1899 CB GLU A 128 106.726 -0.007 -5.571 1.00 0.00 C ATOM 1900 CG GLU A 128 106.103 0.497 -4.264 1.00 0.00 C ATOM 1901 CD GLU A 128 107.167 0.800 -3.201 1.00 0.00 C ATOM 1902 OE1 GLU A 128 108.349 0.654 -3.478 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.775 1.181 -2.110 1.00 0.00 O ATOM 0 H GLU A 128 106.901 -0.300 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 128 104.844 -0.849 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 128 107.250 -0.947 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 128 107.465 0.708 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.522 1.398 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 128 105.410 -0.251 -3.880 1.00 0.00 H new ATOM 1910 N GLN A 129 103.848 1.414 -6.378 1.00 0.00 N ATOM 1911 CA GLN A 129 103.193 2.708 -6.525 1.00 0.00 C ATOM 1912 C GLN A 129 102.860 3.257 -5.142 1.00 0.00 C ATOM 1913 O GLN A 129 102.479 2.500 -4.250 1.00 0.00 O ATOM 1914 CB GLN A 129 101.910 2.559 -7.344 1.00 0.00 C ATOM 1915 CG GLN A 129 102.259 2.101 -8.762 1.00 0.00 C ATOM 1916 CD GLN A 129 100.991 1.860 -9.578 1.00 0.00 C ATOM 1917 OE1 GLN A 129 99.904 1.708 -9.021 1.00 0.00 O ATOM 1918 NE2 GLN A 129 101.068 1.813 -10.880 1.00 0.00 N ATOM 0 H GLN A 129 103.338 0.748 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 129 103.861 3.395 -7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 129 101.246 1.836 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.376 3.508 -7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 129 102.875 2.855 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 129 102.849 1.186 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 129 101.968 1.939 -11.343 1.00 0.00 H new ATOM 0 HE22 GLN A 129 100.228 1.650 -11.435 1.00 0.00 H new ATOM 1927 N SER A 130 103.028 4.563 -4.957 1.00 0.00 N ATOM 1928 CA SER A 130 102.765 5.176 -3.660 1.00 0.00 C ATOM 1929 C SER A 130 101.989 6.477 -3.821 1.00 0.00 C ATOM 1930 O SER A 130 102.158 7.196 -4.806 1.00 0.00 O ATOM 1931 CB SER A 130 104.085 5.458 -2.942 1.00 0.00 C ATOM 1932 OG SER A 130 104.793 4.238 -2.771 1.00 0.00 O ATOM 0 H SER A 130 103.341 5.211 -5.680 1.00 0.00 H new ATOM 0 HA SER A 130 102.165 4.482 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.684 6.162 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 130 103.895 5.921 -1.974 1.00 0.00 H new ATOM 0 HG SER A 130 105.641 4.413 -2.312 1.00 0.00 H new ATOM 1938 N ARG A 131 101.149 6.774 -2.835 1.00 0.00 N ATOM 1939 CA ARG A 131 100.397 8.024 -2.819 1.00 0.00 C ATOM 1940 C ARG A 131 100.796 8.847 -1.600 1.00 0.00 C ATOM 1941 O ARG A 131 100.720 8.367 -0.468 1.00 0.00 O ATOM 1942 CB ARG A 131 98.896 7.732 -2.773 1.00 0.00 C ATOM 1943 CG ARG A 131 98.478 6.995 -4.048 1.00 0.00 C ATOM 1944 CD ARG A 131 96.971 6.736 -4.018 1.00 0.00 C ATOM 1945 NE ARG A 131 96.237 7.998 -4.157 1.00 0.00 N ATOM 1946 CZ ARG A 131 96.126 8.665 -5.315 1.00 0.00 C ATOM 1947 NH1 ARG A 131 96.673 8.235 -6.426 1.00 0.00 N ATOM 1948 NH2 ARG A 131 95.450 9.782 -5.337 1.00 0.00 N ATOM 0 H ARG A 131 100.972 6.166 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 131 100.623 8.586 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.659 7.128 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.337 8.663 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 131 98.738 7.588 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.018 6.052 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.695 6.056 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 131 96.697 6.249 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 131 95.787 8.389 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 131 97.205 7.365 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 131 96.566 8.771 -7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 131 95.017 10.133 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 131 95.355 10.303 -6.209 1.00 0.00 H new ATOM 1962 N ILE A 132 101.247 10.073 -1.850 1.00 0.00 N ATOM 1963 CA ILE A 132 101.674 10.963 -0.778 1.00 0.00 C ATOM 1964 C ILE A 132 100.927 12.272 -0.953 1.00 0.00 C ATOM 1965 O ILE A 132 101.377 13.135 -1.706 1.00 0.00 O ATOM 1966 CB ILE A 132 103.183 11.210 -0.857 1.00 0.00 C ATOM 1967 CG1 ILE A 132 103.926 9.874 -0.784 1.00 0.00 C ATOM 1968 CG2 ILE A 132 103.619 12.096 0.311 1.00 0.00 C ATOM 1969 CD1 ILE A 132 105.419 10.103 -1.026 1.00 0.00 C ATOM 0 H ILE A 132 101.326 10.472 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 132 101.459 10.518 0.193 1.00 0.00 H new ATOM 0 HB ILE A 132 103.418 11.706 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.772 9.414 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.528 9.184 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 132 104.693 12.271 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 132 103.093 13.049 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.382 11.600 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 132 105.946 9.151 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.564 10.544 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.812 10.777 -0.265 1.00 0.00 H new ATOM 1981 N ARG A 133 99.800 12.404 -0.244 1.00 0.00 N ATOM 1982 CA ARG A 133 98.766 13.427 -0.494 1.00 0.00 C ATOM 1983 C ARG A 133 98.873 14.135 -1.852 1.00 0.00 C ATOM 1984 O ARG A 133 99.614 15.105 -2.003 1.00 0.00 O ATOM 1985 CB ARG A 133 98.823 14.480 0.614 1.00 0.00 C ATOM 1986 CG ARG A 133 98.466 13.833 1.954 1.00 0.00 C ATOM 1987 CD ARG A 133 98.389 14.903 3.045 1.00 0.00 C ATOM 1988 NE ARG A 133 99.651 15.643 3.131 1.00 0.00 N ATOM 1989 CZ ARG A 133 99.892 16.786 2.470 1.00 0.00 C ATOM 1990 NH1 ARG A 133 99.019 17.321 1.650 1.00 0.00 N ATOM 1991 NH2 ARG A 133 101.039 17.382 2.643 1.00 0.00 N ATOM 0 H ARG A 133 99.572 11.791 0.538 1.00 0.00 H new ATOM 0 HA ARG A 133 97.817 12.891 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 133 99.820 14.917 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.130 15.292 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 133 97.511 13.314 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.214 13.086 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 133 97.571 15.591 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 133 98.169 14.436 4.005 1.00 0.00 H new ATOM 0 HE ARG A 133 100.389 15.268 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 133 98.119 16.867 1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 133 99.240 18.191 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 133 101.734 16.979 3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 133 101.241 18.252 2.150 1.00 0.00 H new ATOM 2005 N SER A 134 98.123 13.630 -2.831 1.00 0.00 N ATOM 2006 CA SER A 134 97.965 14.288 -4.135 1.00 0.00 C ATOM 2007 C SER A 134 99.194 14.146 -5.041 1.00 0.00 C ATOM 2008 O SER A 134 99.116 14.477 -6.225 1.00 0.00 O ATOM 2009 CB SER A 134 97.629 15.776 -3.974 1.00 0.00 C ATOM 2010 OG SER A 134 96.579 15.917 -3.027 1.00 0.00 O ATOM 0 H SER A 134 97.607 12.754 -2.746 1.00 0.00 H new ATOM 0 HA SER A 134 97.135 13.772 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.510 16.326 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 134 97.330 16.200 -4.933 1.00 0.00 H new ATOM 0 HG SER A 134 96.361 16.866 -2.919 1.00 0.00 H new ATOM 2016 N VAL A 135 100.323 13.665 -4.513 1.00 0.00 N ATOM 2017 CA VAL A 135 101.514 13.465 -5.335 1.00 0.00 C ATOM 2018 C VAL A 135 101.654 11.985 -5.681 1.00 0.00 C ATOM 2019 O VAL A 135 101.495 11.124 -4.817 1.00 0.00 O ATOM 2020 CB VAL A 135 102.764 13.945 -4.587 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.993 13.814 -5.491 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.595 15.413 -4.186 1.00 0.00 C ATOM 0 H VAL A 135 100.435 13.410 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 135 101.412 14.044 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 135 102.898 13.333 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.878 14.156 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 135 104.124 12.771 -5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 135 103.853 14.422 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.485 15.750 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.454 16.020 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.725 15.515 -3.537 1.00 0.00 H new ATOM 2032 N ASP A 136 101.949 11.699 -6.946 1.00 0.00 N ATOM 2033 CA ASP A 136 102.048 10.317 -7.409 1.00 0.00 C ATOM 2034 C ASP A 136 103.507 9.898 -7.542 1.00 0.00 C ATOM 2035 O ASP A 136 104.277 10.541 -8.253 1.00 0.00 O ATOM 2036 CB ASP A 136 101.348 10.169 -8.761 1.00 0.00 C ATOM 2037 CG ASP A 136 101.338 8.704 -9.185 1.00 0.00 C ATOM 2038 OD1 ASP A 136 100.394 8.013 -8.840 1.00 0.00 O ATOM 2039 OD2 ASP A 136 102.277 8.293 -9.848 1.00 0.00 O ATOM 0 H ASP A 136 102.123 12.401 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 136 101.563 9.673 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 136 100.327 10.544 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 136 101.860 10.770 -9.513 1.00 0.00 H new ATOM 2044 N VAL A 137 103.891 8.816 -6.867 1.00 0.00 N ATOM 2045 CA VAL A 137 105.280 8.357 -6.898 1.00 0.00 C ATOM 2046 C VAL A 137 105.357 6.958 -7.506 1.00 0.00 C ATOM 2047 O VAL A 137 104.590 6.073 -7.135 1.00 0.00 O ATOM 2048 CB VAL A 137 105.859 8.336 -5.478 1.00 0.00 C ATOM 2049 CG1 VAL A 137 107.341 7.954 -5.525 1.00 0.00 C ATOM 2050 CG2 VAL A 137 105.727 9.723 -4.840 1.00 0.00 C ATOM 0 H VAL A 137 103.267 8.245 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 137 105.862 9.045 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 137 105.308 7.604 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 137 107.746 7.941 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 137 107.448 6.965 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 137 107.886 8.683 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 137 106.140 9.700 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 137 106.272 10.452 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 137 104.675 10.004 -4.795 1.00 0.00 H new ATOM 2060 N GLY A 138 106.290 6.771 -8.436 1.00 0.00 N ATOM 2061 CA GLY A 138 106.495 5.466 -9.061 1.00 0.00 C ATOM 2062 C GLY A 138 107.922 4.993 -8.822 1.00 0.00 C ATOM 2063 O GLY A 138 108.870 5.733 -9.077 1.00 0.00 O ATOM 0 H GLY A 138 106.915 7.504 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 138 105.790 4.743 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 138 106.299 5.531 -10.131 1.00 0.00 H new ATOM 2067 N THR A 139 108.075 3.769 -8.325 1.00 0.00 N ATOM 2068 CA THR A 139 109.400 3.248 -7.994 1.00 0.00 C ATOM 2069 C THR A 139 109.661 1.919 -8.694 1.00 0.00 C ATOM 2070 O THR A 139 108.809 1.030 -8.706 1.00 0.00 O ATOM 2071 CB THR A 139 109.508 3.056 -6.480 1.00 0.00 C ATOM 2072 OG1 THR A 139 109.163 4.268 -5.825 1.00 0.00 O ATOM 2073 CG2 THR A 139 110.941 2.667 -6.109 1.00 0.00 C ATOM 0 H THR A 139 107.306 3.123 -8.143 1.00 0.00 H new ATOM 0 HA THR A 139 110.145 3.967 -8.335 1.00 0.00 H new ATOM 0 HB THR A 139 108.827 2.264 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 139 109.230 4.146 -4.855 1.00 0.00 H new ATOM 0 HG21 THR A 139 111.013 2.531 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 139 111.207 1.736 -6.610 1.00 0.00 H new ATOM 0 HG23 THR A 139 111.625 3.456 -6.422 1.00 0.00 H new ATOM 2081 N TRP A 140 110.849 1.797 -9.278 1.00 0.00 N ATOM 2082 CA TRP A 140 111.278 0.541 -9.886 1.00 0.00 C ATOM 2083 C TRP A 140 112.403 -0.063 -9.054 1.00 0.00 C ATOM 2084 O TRP A 140 113.393 0.607 -8.762 1.00 0.00 O ATOM 2085 CB TRP A 140 111.773 0.794 -11.311 1.00 0.00 C ATOM 2086 CG TRP A 140 110.717 1.330 -12.224 1.00 0.00 C ATOM 2087 CD1 TRP A 140 110.241 2.597 -12.201 1.00 0.00 C ATOM 2088 CD2 TRP A 140 110.005 0.645 -13.295 1.00 0.00 C ATOM 2089 NE1 TRP A 140 109.279 2.731 -13.184 1.00 0.00 N ATOM 2090 CE2 TRP A 140 109.098 1.557 -13.887 1.00 0.00 C ATOM 2091 CE3 TRP A 140 110.055 -0.665 -13.804 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 108.270 1.180 -14.948 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 109.226 -1.046 -14.868 1.00 0.00 C ATOM 2094 CH2 TRP A 140 108.335 -0.127 -15.439 1.00 0.00 C ATOM 0 H TRP A 140 111.532 2.552 -9.343 1.00 0.00 H new ATOM 0 HA TRP A 140 110.435 -0.150 -9.920 1.00 0.00 H new ATOM 0 HB2 TRP A 140 112.605 1.498 -11.278 1.00 0.00 H new ATOM 0 HB3 TRP A 140 112.160 -0.138 -11.723 1.00 0.00 H new ATOM 0 HD1 TRP A 140 110.561 3.376 -11.525 1.00 0.00 H new ATOM 0 HE1 TRP A 140 108.765 3.593 -13.368 1.00 0.00 H new ATOM 0 HE3 TRP A 140 110.737 -1.382 -13.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 107.586 1.892 -15.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 109.274 -2.055 -15.251 1.00 0.00 H new ATOM 0 HH2 TRP A 140 107.699 -0.429 -16.258 1.00 0.00 H new ATOM 2105 N ILE A 141 112.258 -1.331 -8.678 1.00 0.00 N ATOM 2106 CA ILE A 141 113.236 -1.978 -7.801 1.00 0.00 C ATOM 2107 C ILE A 141 113.864 -3.185 -8.495 1.00 0.00 C ATOM 2108 O ILE A 141 113.160 -4.027 -9.049 1.00 0.00 O ATOM 2109 CB ILE A 141 112.554 -2.430 -6.501 1.00 0.00 C ATOM 2110 CG1 ILE A 141 111.872 -1.237 -5.824 1.00 0.00 C ATOM 2111 CG2 ILE A 141 113.594 -3.014 -5.540 1.00 0.00 C ATOM 2112 CD1 ILE A 141 111.042 -1.726 -4.634 1.00 0.00 C ATOM 0 H ILE A 141 111.481 -1.928 -8.962 1.00 0.00 H new ATOM 0 HA ILE A 141 114.021 -1.258 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 141 111.811 -3.189 -6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 141 112.621 -0.520 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 141 111.232 -0.718 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 141 113.102 -3.332 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 141 114.080 -3.871 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 141 114.341 -2.255 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 141 110.558 -0.875 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.283 -2.426 -4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 141 111.693 -2.225 -3.917 1.00 0.00 H new ATOM 2124 N ALA A 142 115.192 -3.252 -8.468 1.00 0.00 N ATOM 2125 CA ALA A 142 115.895 -4.437 -8.951 1.00 0.00 C ATOM 2126 C ALA A 142 117.087 -4.737 -8.047 1.00 0.00 C ATOM 2127 O ALA A 142 117.800 -3.819 -7.642 1.00 0.00 O ATOM 2128 CB ALA A 142 116.379 -4.214 -10.384 1.00 0.00 C ATOM 0 H ALA A 142 115.798 -2.509 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 142 115.209 -5.284 -8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 142 116.902 -5.104 -10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 142 115.524 -4.018 -11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 142 117.057 -3.361 -10.410 1.00 0.00 H new ATOM 2134 N GLY A 143 117.299 -6.014 -7.729 1.00 0.00 N ATOM 2135 CA GLY A 143 118.397 -6.381 -6.839 1.00 0.00 C ATOM 2136 C GLY A 143 118.800 -7.843 -6.995 1.00 0.00 C ATOM 2137 O GLY A 143 118.206 -8.584 -7.779 1.00 0.00 O ATOM 0 H GLY A 143 116.738 -6.796 -8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 143 119.258 -5.745 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 143 118.103 -6.195 -5.806 1.00 0.00 H new ATOM 2141 N VAL A 144 119.793 -8.249 -6.208 1.00 0.00 N ATOM 2142 CA VAL A 144 120.333 -9.604 -6.278 1.00 0.00 C ATOM 2143 C VAL A 144 120.426 -10.186 -4.872 1.00 0.00 C ATOM 2144 O VAL A 144 120.674 -9.453 -3.914 1.00 0.00 O ATOM 2145 CB VAL A 144 121.721 -9.593 -6.930 1.00 0.00 C ATOM 2146 CG1 VAL A 144 122.230 -11.028 -7.084 1.00 0.00 C ATOM 2147 CG2 VAL A 144 121.640 -8.942 -8.314 1.00 0.00 C ATOM 0 H VAL A 144 120.242 -7.655 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 144 119.669 -10.220 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 144 122.404 -9.025 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 144 123.216 -11.016 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 144 122.296 -11.498 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 144 121.541 -11.593 -7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 144 122.629 -8.937 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 144 120.952 -9.507 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 144 121.281 -7.918 -8.214 1.00 0.00 H new ATOM 2157 N GLY A 145 120.214 -11.494 -4.747 1.00 0.00 N ATOM 2158 CA GLY A 145 120.231 -12.130 -3.433 1.00 0.00 C ATOM 2159 C GLY A 145 120.902 -13.498 -3.474 1.00 0.00 C ATOM 2160 O GLY A 145 121.118 -14.065 -4.544 1.00 0.00 O ATOM 0 H GLY A 145 120.031 -12.126 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 145 120.757 -11.489 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 145 119.210 -12.237 -3.068 1.00 0.00 H new ATOM 2164 N TYR A 146 121.200 -14.024 -2.290 1.00 0.00 N ATOM 2165 CA TYR A 146 121.860 -15.317 -2.161 1.00 0.00 C ATOM 2166 C TYR A 146 121.102 -16.188 -1.165 1.00 0.00 C ATOM 2167 O TYR A 146 120.571 -15.684 -0.176 1.00 0.00 O ATOM 2168 CB TYR A 146 123.300 -15.126 -1.686 1.00 0.00 C ATOM 2169 CG TYR A 146 124.089 -16.412 -1.617 1.00 0.00 C ATOM 2170 CD1 TYR A 146 124.729 -16.902 -2.763 1.00 0.00 C ATOM 2171 CD2 TYR A 146 124.180 -17.115 -0.410 1.00 0.00 C ATOM 2172 CE1 TYR A 146 125.459 -18.095 -2.699 1.00 0.00 C ATOM 2173 CE2 TYR A 146 124.910 -18.307 -0.346 1.00 0.00 C ATOM 2174 CZ TYR A 146 125.550 -18.797 -1.492 1.00 0.00 C ATOM 2175 OH TYR A 146 126.270 -19.973 -1.429 1.00 0.00 O ATOM 0 H TYR A 146 120.993 -13.570 -1.400 1.00 0.00 H new ATOM 0 HA TYR A 146 121.869 -15.807 -3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 146 123.807 -14.434 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 146 123.290 -14.662 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 146 124.659 -16.360 -3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 146 123.686 -16.737 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 146 125.952 -18.474 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 146 124.980 -18.849 0.586 1.00 0.00 H new ATOM 0 HH TYR A 146 126.232 -20.331 -0.518 1.00 0.00 H new ATOM 2185 N ARG A 147 121.036 -17.486 -1.447 1.00 0.00 N ATOM 2186 CA ARG A 147 120.318 -18.414 -0.579 1.00 0.00 C ATOM 2187 C ARG A 147 121.298 -19.251 0.236 1.00 0.00 C ATOM 2188 O ARG A 147 122.339 -19.672 -0.270 1.00 0.00 O ATOM 2189 CB ARG A 147 119.445 -19.342 -1.428 1.00 0.00 C ATOM 2190 CG ARG A 147 118.418 -18.516 -2.204 1.00 0.00 C ATOM 2191 CD ARG A 147 117.485 -19.452 -2.974 1.00 0.00 C ATOM 2192 NE ARG A 147 116.630 -18.682 -3.881 1.00 0.00 N ATOM 2193 CZ ARG A 147 115.469 -18.123 -3.509 1.00 0.00 C ATOM 2194 NH1 ARG A 147 115.004 -18.223 -2.287 1.00 0.00 N ATOM 2195 NH2 ARG A 147 114.778 -17.456 -4.392 1.00 0.00 N ATOM 0 H ARG A 147 121.468 -17.917 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 147 119.692 -17.838 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 147 120.067 -19.910 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 147 118.937 -20.065 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 147 117.842 -17.895 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.925 -17.842 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 147 118.071 -20.175 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 147 116.869 -20.019 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 147 116.934 -18.565 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 147 115.530 -18.740 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 147 114.117 -17.784 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 147 115.123 -17.366 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 147 113.893 -17.024 -4.127 1.00 0.00 H new ATOM 2209 N PHE A 148 120.958 -19.491 1.498 1.00 0.00 N ATOM 2210 CA PHE A 148 121.810 -20.296 2.366 1.00 0.00 C ATOM 2211 C PHE A 148 120.978 -20.994 3.437 1.00 0.00 C ATOM 2212 O PHE A 148 119.874 -20.542 3.688 1.00 0.00 O ATOM 2213 CB PHE A 148 122.863 -19.410 3.033 1.00 0.00 C ATOM 2214 CG PHE A 148 123.868 -20.185 3.853 1.00 0.00 C ATOM 2215 CD1 PHE A 148 123.622 -20.436 5.208 1.00 0.00 C ATOM 2216 CD2 PHE A 148 125.045 -20.655 3.256 1.00 0.00 C ATOM 2217 CE1 PHE A 148 124.553 -21.155 5.967 1.00 0.00 C ATOM 2218 CE2 PHE A 148 125.976 -21.374 4.015 1.00 0.00 C ATOM 2219 CZ PHE A 148 125.730 -21.624 5.370 1.00 0.00 C ATOM 2220 OXT PHE A 148 121.458 -21.969 3.990 1.00 0.00 O ATOM 0 H PHE A 148 120.107 -19.143 1.940 1.00 0.00 H new ATOM 0 HA PHE A 148 122.305 -21.052 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 148 123.391 -18.845 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 148 122.363 -18.685 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 148 122.714 -20.075 5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 148 125.234 -20.463 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 148 124.364 -21.348 7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 148 126.884 -21.736 3.555 1.00 0.00 H new ATOM 0 HZ PHE A 148 126.448 -22.179 5.956 1.00 0.00 H new TER 2230 PHE A 148