USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 971 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 Single : A 1 GLY N :NH3+ -136:sc= 0.0435 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.596 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -170:sc= -0.222 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.0659 K(o=0.066,f=-3.4!) USER MOD Single : A 30 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 31 MET CE :methyl -123:sc= -0.622 (180deg=-5.25!) USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -6.32! C(o=-6.3!,f=-11!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.0575 USER MOD Single : A 41 THR OG1 : rot 7:sc= 0.942 USER MOD Single : A 42 GLN : amide:sc=-0.00108 X(o=-0.0011,f=-0.45) USER MOD Single : A 44 GLN : amide:sc= 0.129 X(o=0.13,f=-0.26) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 170:sc= -0.266 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 55 THR OG1 : rot -90:sc= 1.02 USER MOD Single : A 59 ASN :FLIP amide:sc= -2.48! C(o=-5.3!,f=-2.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -150:sc= -3.3! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -120:sc= 0.0867 (180deg=-0.428) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 16:sc= 0.113 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 159:sc= -2.56! USER MOD Single : A 111 ASN : amide:sc= -0.321! C(o=-0.32!,f=-7.3!) USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= 0.0105 (180deg=0.00148) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0441) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -172:sc= 0.638 (180deg=0.593) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 30:sc= 0.87 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.736 19.078 5.015 1.00 0.00 N ATOM 2 CA GLY A 1 -26.535 19.655 5.594 1.00 0.00 C ATOM 3 C GLY A 1 -25.784 20.505 4.567 1.00 0.00 C ATOM 4 O GLY A 1 -26.394 21.077 3.665 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.526 19.176 5.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.968 19.574 4.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.575 18.070 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.801 20.269 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.885 18.860 5.958 1.00 0.00 H new ATOM 8 N SER A 2 -24.472 20.560 4.737 1.00 0.00 N ATOM 9 CA SER A 2 -23.631 21.330 3.836 1.00 0.00 C ATOM 10 C SER A 2 -22.402 20.510 3.439 1.00 0.00 C ATOM 11 O SER A 2 -21.708 19.969 4.298 1.00 0.00 O ATOM 12 CB SER A 2 -23.204 22.652 4.476 1.00 0.00 C ATOM 13 OG SER A 2 -24.163 23.684 4.260 1.00 0.00 O ATOM 0 H SER A 2 -23.970 20.084 5.486 1.00 0.00 H new ATOM 0 HA SER A 2 -24.209 21.561 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.062 22.507 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.242 22.959 4.066 1.00 0.00 H new ATOM 0 HG SER A 2 -23.855 24.511 4.685 1.00 0.00 H new ATOM 19 N SER A 3 -22.170 20.444 2.136 1.00 0.00 N ATOM 20 CA SER A 3 -21.036 19.700 1.614 1.00 0.00 C ATOM 21 C SER A 3 -20.021 20.661 0.993 1.00 0.00 C ATOM 22 O SER A 3 -20.366 21.783 0.626 1.00 0.00 O ATOM 23 CB SER A 3 -21.485 18.663 0.583 1.00 0.00 C ATOM 24 OG SER A 3 -21.791 17.408 1.186 1.00 0.00 O ATOM 0 H SER A 3 -22.748 20.894 1.426 1.00 0.00 H new ATOM 0 HA SER A 3 -20.565 19.169 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.363 19.034 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.699 18.526 -0.160 1.00 0.00 H new ATOM 0 HG SER A 3 -22.075 16.774 0.495 1.00 0.00 H new ATOM 30 N GLY A 4 -18.788 20.186 0.894 1.00 0.00 N ATOM 31 CA GLY A 4 -17.720 20.989 0.323 1.00 0.00 C ATOM 32 C GLY A 4 -16.989 20.223 -0.782 1.00 0.00 C ATOM 33 O GLY A 4 -17.095 19.001 -0.870 1.00 0.00 O ATOM 0 H GLY A 4 -18.505 19.255 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.132 21.914 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.014 21.270 1.104 1.00 0.00 H new ATOM 37 N SER A 5 -16.264 20.974 -1.598 1.00 0.00 N ATOM 38 CA SER A 5 -15.516 20.382 -2.694 1.00 0.00 C ATOM 39 C SER A 5 -14.169 21.091 -2.852 1.00 0.00 C ATOM 40 O SER A 5 -14.116 22.241 -3.284 1.00 0.00 O ATOM 41 CB SER A 5 -16.308 20.449 -4.001 1.00 0.00 C ATOM 42 OG SER A 5 -16.635 21.789 -4.359 1.00 0.00 O ATOM 0 H SER A 5 -16.179 21.988 -1.522 1.00 0.00 H new ATOM 0 HA SER A 5 -15.341 19.332 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.726 19.992 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.224 19.867 -3.900 1.00 0.00 H new ATOM 0 HG SER A 5 -15.895 22.383 -4.113 1.00 0.00 H new ATOM 48 N SER A 6 -13.114 20.374 -2.493 1.00 0.00 N ATOM 49 CA SER A 6 -11.771 20.920 -2.590 1.00 0.00 C ATOM 50 C SER A 6 -10.755 19.907 -2.060 1.00 0.00 C ATOM 51 O SER A 6 -11.069 19.113 -1.174 1.00 0.00 O ATOM 52 CB SER A 6 -11.656 22.239 -1.822 1.00 0.00 C ATOM 53 OG SER A 6 -11.125 23.284 -2.633 1.00 0.00 O ATOM 0 H SER A 6 -13.162 19.420 -2.135 1.00 0.00 H new ATOM 0 HA SER A 6 -11.559 21.122 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.639 22.531 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.017 22.097 -0.950 1.00 0.00 H new ATOM 0 HG SER A 6 -11.069 24.109 -2.108 1.00 0.00 H new ATOM 59 N GLY A 7 -9.558 19.967 -2.624 1.00 0.00 N ATOM 60 CA GLY A 7 -8.493 19.064 -2.219 1.00 0.00 C ATOM 61 C GLY A 7 -7.226 19.307 -3.042 1.00 0.00 C ATOM 62 O GLY A 7 -7.157 20.259 -3.816 1.00 0.00 O ATOM 0 H GLY A 7 -9.301 20.627 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.276 19.204 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.820 18.032 -2.344 1.00 0.00 H new ATOM 66 N PRO A 8 -6.229 18.404 -2.840 1.00 0.00 N ATOM 67 CA PRO A 8 -4.968 18.511 -3.554 1.00 0.00 C ATOM 68 C PRO A 8 -5.123 18.066 -5.010 1.00 0.00 C ATOM 69 O PRO A 8 -6.216 17.699 -5.437 1.00 0.00 O ATOM 70 CB PRO A 8 -3.997 17.644 -2.768 1.00 0.00 C ATOM 71 CG PRO A 8 -4.855 16.721 -1.919 1.00 0.00 C ATOM 72 CD PRO A 8 -6.275 17.263 -1.930 1.00 0.00 C ATOM 0 HA PRO A 8 -4.605 19.537 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.354 17.073 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.345 18.255 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.831 15.706 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.472 16.674 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.984 16.510 -2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.591 17.565 -0.932 1.00 0.00 H new ATOM 80 N HIS A 9 -4.012 18.113 -5.731 1.00 0.00 N ATOM 81 CA HIS A 9 -4.011 17.720 -7.129 1.00 0.00 C ATOM 82 C HIS A 9 -2.570 17.548 -7.613 1.00 0.00 C ATOM 83 O HIS A 9 -1.732 18.424 -7.403 1.00 0.00 O ATOM 84 CB HIS A 9 -4.805 18.717 -7.975 1.00 0.00 C ATOM 85 CG HIS A 9 -4.349 20.149 -7.827 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.010 21.068 -7.030 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.291 20.809 -8.380 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.371 22.225 -7.109 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.306 22.063 -7.946 1.00 0.00 N ATOM 0 H HIS A 9 -3.107 18.417 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.512 16.758 -7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.729 18.429 -9.024 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.858 18.652 -7.702 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.564 20.383 -9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.645 23.137 -6.600 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.632 22.787 -8.197 1.00 0.00 H new ATOM 97 N GLY A 10 -2.325 16.413 -8.251 1.00 0.00 N ATOM 98 CA GLY A 10 -0.999 16.115 -8.766 1.00 0.00 C ATOM 99 C GLY A 10 -0.844 14.620 -9.049 1.00 0.00 C ATOM 100 O GLY A 10 -1.745 13.992 -9.602 1.00 0.00 O ATOM 0 H GLY A 10 -3.022 15.689 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.824 16.682 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.245 16.432 -8.045 1.00 0.00 H new ATOM 104 N THR A 11 0.306 14.092 -8.657 1.00 0.00 N ATOM 105 CA THR A 11 0.591 12.682 -8.861 1.00 0.00 C ATOM 106 C THR A 11 1.085 12.044 -7.561 1.00 0.00 C ATOM 107 O THR A 11 1.804 12.676 -6.789 1.00 0.00 O ATOM 108 CB THR A 11 1.591 12.564 -10.013 1.00 0.00 C ATOM 109 OG1 THR A 11 0.872 13.041 -11.147 1.00 0.00 O ATOM 110 CG2 THR A 11 1.914 11.109 -10.361 1.00 0.00 C ATOM 0 H THR A 11 1.052 14.616 -8.199 1.00 0.00 H new ATOM 0 HA THR A 11 -0.310 12.132 -9.135 1.00 0.00 H new ATOM 0 HB THR A 11 2.511 13.087 -9.751 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.447 13.001 -11.940 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.628 11.082 -11.184 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.345 10.614 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.000 10.594 -10.656 1.00 0.00 H new ATOM 118 N LEU A 12 0.678 10.799 -7.359 1.00 0.00 N ATOM 119 CA LEU A 12 1.070 10.068 -6.166 1.00 0.00 C ATOM 120 C LEU A 12 2.117 9.016 -6.538 1.00 0.00 C ATOM 121 O LEU A 12 2.059 8.433 -7.619 1.00 0.00 O ATOM 122 CB LEU A 12 -0.160 9.490 -5.464 1.00 0.00 C ATOM 123 CG LEU A 12 0.112 8.416 -4.409 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.486 7.085 -5.065 1.00 0.00 C ATOM 125 CD2 LEU A 12 1.176 8.883 -3.413 1.00 0.00 C ATOM 0 H LEU A 12 0.081 10.278 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 12 1.535 10.739 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.701 10.309 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.821 9.068 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.806 8.250 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.674 6.339 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.333 6.750 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.384 7.217 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.351 8.101 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.104 9.094 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.832 9.787 -2.911 1.00 0.00 H new ATOM 137 N GLU A 13 3.050 8.806 -5.621 1.00 0.00 N ATOM 138 CA GLU A 13 4.108 7.834 -5.839 1.00 0.00 C ATOM 139 C GLU A 13 4.178 6.854 -4.667 1.00 0.00 C ATOM 140 O GLU A 13 4.710 7.183 -3.608 1.00 0.00 O ATOM 141 CB GLU A 13 5.454 8.529 -6.054 1.00 0.00 C ATOM 142 CG GLU A 13 6.405 7.643 -6.861 1.00 0.00 C ATOM 143 CD GLU A 13 7.860 7.890 -6.457 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.469 8.802 -7.056 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.330 7.160 -5.557 1.00 0.00 O ATOM 0 H GLU A 13 3.095 9.292 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 13 3.878 7.271 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.300 9.474 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.903 8.767 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.153 6.594 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.280 7.844 -7.925 1.00 0.00 H new ATOM 152 N VAL A 14 3.634 5.667 -4.895 1.00 0.00 N ATOM 153 CA VAL A 14 3.628 4.637 -3.871 1.00 0.00 C ATOM 154 C VAL A 14 4.905 3.803 -3.986 1.00 0.00 C ATOM 155 O VAL A 14 5.206 3.265 -5.051 1.00 0.00 O ATOM 156 CB VAL A 14 2.354 3.797 -3.982 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.497 2.480 -3.215 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.134 4.584 -3.497 1.00 0.00 C ATOM 0 H VAL A 14 3.194 5.396 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 14 3.621 5.086 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 14 2.201 3.557 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.578 1.902 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.329 1.908 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.686 2.691 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.242 3.964 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.275 4.868 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.015 5.481 -4.104 1.00 0.00 H new ATOM 168 N VAL A 15 5.623 3.722 -2.875 1.00 0.00 N ATOM 169 CA VAL A 15 6.861 2.962 -2.838 1.00 0.00 C ATOM 170 C VAL A 15 6.692 1.764 -1.901 1.00 0.00 C ATOM 171 O VAL A 15 6.934 1.872 -0.700 1.00 0.00 O ATOM 172 CB VAL A 15 8.022 3.874 -2.438 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.343 3.102 -2.415 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.112 5.087 -3.366 1.00 0.00 C ATOM 0 H VAL A 15 5.371 4.170 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 15 7.098 2.570 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 15 7.829 4.238 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.152 3.774 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.275 2.287 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.544 2.695 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.946 5.719 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.270 4.750 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.185 5.657 -3.310 1.00 0.00 H new ATOM 184 N LEU A 16 6.277 0.650 -2.486 1.00 0.00 N ATOM 185 CA LEU A 16 6.072 -0.566 -1.718 1.00 0.00 C ATOM 186 C LEU A 16 7.428 -1.111 -1.263 1.00 0.00 C ATOM 187 O LEU A 16 8.061 -1.886 -1.979 1.00 0.00 O ATOM 188 CB LEU A 16 5.243 -1.572 -2.519 1.00 0.00 C ATOM 189 CG LEU A 16 4.435 -2.580 -1.699 1.00 0.00 C ATOM 190 CD1 LEU A 16 3.706 -1.888 -0.545 1.00 0.00 C ATOM 191 CD2 LEU A 16 3.476 -3.370 -2.591 1.00 0.00 C ATOM 0 H LEU A 16 6.077 0.564 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 16 5.494 -0.356 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.555 -1.019 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.914 -2.124 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 16 5.129 -3.297 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.139 -2.626 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.434 -1.408 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.025 -1.136 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.914 -4.079 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.785 -2.683 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.045 -3.911 -3.347 1.00 0.00 H new ATOM 203 N VAL A 17 7.833 -0.685 -0.076 1.00 0.00 N ATOM 204 CA VAL A 17 9.101 -1.120 0.483 1.00 0.00 C ATOM 205 C VAL A 17 9.026 -2.614 0.806 1.00 0.00 C ATOM 206 O VAL A 17 9.428 -3.449 -0.003 1.00 0.00 O ATOM 207 CB VAL A 17 9.459 -0.263 1.699 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.676 -0.831 2.431 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.693 1.193 1.294 1.00 0.00 C ATOM 0 H VAL A 17 7.305 -0.043 0.514 1.00 0.00 H new ATOM 0 HA VAL A 17 9.904 -0.984 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 17 8.613 -0.287 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.909 -0.203 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.457 -1.844 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.531 -0.852 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.946 1.780 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.513 1.244 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.787 1.594 0.839 1.00 0.00 H new ATOM 219 N SER A 18 8.507 -2.906 1.989 1.00 0.00 N ATOM 220 CA SER A 18 8.373 -4.284 2.429 1.00 0.00 C ATOM 221 C SER A 18 7.294 -4.387 3.508 1.00 0.00 C ATOM 222 O SER A 18 6.532 -3.445 3.721 1.00 0.00 O ATOM 223 CB SER A 18 9.704 -4.826 2.955 1.00 0.00 C ATOM 224 OG SER A 18 10.087 -4.203 4.179 1.00 0.00 O ATOM 0 H SER A 18 8.174 -2.211 2.657 1.00 0.00 H new ATOM 0 HA SER A 18 8.078 -4.889 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.623 -5.902 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.481 -4.666 2.208 1.00 0.00 H new ATOM 0 HG SER A 18 11.007 -4.456 4.401 1.00 0.00 H new ATOM 230 N ALA A 19 7.263 -5.540 4.161 1.00 0.00 N ATOM 231 CA ALA A 19 6.289 -5.778 5.213 1.00 0.00 C ATOM 232 C ALA A 19 6.820 -6.857 6.159 1.00 0.00 C ATOM 233 O ALA A 19 7.456 -7.814 5.720 1.00 0.00 O ATOM 234 CB ALA A 19 4.946 -6.161 4.588 1.00 0.00 C ATOM 0 H ALA A 19 7.897 -6.319 3.982 1.00 0.00 H new ATOM 0 HA ALA A 19 6.130 -4.874 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.215 -6.340 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.598 -5.350 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.066 -7.067 3.993 1.00 0.00 H new ATOM 240 N LYS A 20 6.541 -6.665 7.440 1.00 0.00 N ATOM 241 CA LYS A 20 6.983 -7.610 8.451 1.00 0.00 C ATOM 242 C LYS A 20 5.826 -7.904 9.408 1.00 0.00 C ATOM 243 O LYS A 20 4.936 -7.074 9.585 1.00 0.00 O ATOM 244 CB LYS A 20 8.244 -7.097 9.150 1.00 0.00 C ATOM 245 CG LYS A 20 9.391 -6.923 8.152 1.00 0.00 C ATOM 246 CD LYS A 20 10.011 -5.529 8.267 1.00 0.00 C ATOM 247 CE LYS A 20 10.861 -5.204 7.037 1.00 0.00 C ATOM 248 NZ LYS A 20 12.279 -5.022 7.421 1.00 0.00 N ATOM 0 H LYS A 20 6.015 -5.869 7.801 1.00 0.00 H new ATOM 0 HA LYS A 20 7.265 -8.557 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.033 -6.145 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.540 -7.796 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.154 -7.680 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.022 -7.078 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.223 -4.784 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.627 -5.474 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.776 -6.008 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.488 -4.298 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.842 -4.802 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.357 -4.240 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.636 -5.896 7.857 1.00 0.00 H new ATOM 262 N GLY A 21 5.877 -9.088 10.001 1.00 0.00 N ATOM 263 CA GLY A 21 4.844 -9.502 10.935 1.00 0.00 C ATOM 264 C GLY A 21 5.306 -9.314 12.382 1.00 0.00 C ATOM 265 O GLY A 21 6.382 -8.772 12.628 1.00 0.00 O ATOM 0 H GLY A 21 6.618 -9.774 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.938 -8.922 10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.591 -10.548 10.763 1.00 0.00 H new ATOM 269 N LEU A 22 4.470 -9.773 13.301 1.00 0.00 N ATOM 270 CA LEU A 22 4.779 -9.663 14.716 1.00 0.00 C ATOM 271 C LEU A 22 5.873 -10.670 15.075 1.00 0.00 C ATOM 272 O LEU A 22 6.152 -11.589 14.306 1.00 0.00 O ATOM 273 CB LEU A 22 3.508 -9.809 15.556 1.00 0.00 C ATOM 274 CG LEU A 22 2.468 -8.698 15.397 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.080 -7.328 15.695 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.819 -8.748 14.012 1.00 0.00 C ATOM 0 H LEU A 22 3.578 -10.222 13.093 1.00 0.00 H new ATOM 0 HA LEU A 22 5.171 -8.672 14.944 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.037 -10.759 15.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.795 -9.864 16.606 1.00 0.00 H new ATOM 0 HG LEU A 22 1.677 -8.863 16.129 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.320 -6.556 15.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.455 -7.312 16.718 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.902 -7.139 15.004 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.084 -7.948 13.926 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.585 -8.622 13.247 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.325 -9.710 13.876 1.00 0.00 H new ATOM 288 N GLU A 23 6.463 -10.464 16.244 1.00 0.00 N ATOM 289 CA GLU A 23 7.520 -11.344 16.714 1.00 0.00 C ATOM 290 C GLU A 23 7.119 -12.807 16.518 1.00 0.00 C ATOM 291 O GLU A 23 7.872 -13.589 15.939 1.00 0.00 O ATOM 292 CB GLU A 23 7.859 -11.059 18.178 1.00 0.00 C ATOM 293 CG GLU A 23 6.611 -10.638 18.958 1.00 0.00 C ATOM 294 CD GLU A 23 6.503 -11.407 20.276 1.00 0.00 C ATOM 295 OE1 GLU A 23 7.468 -11.318 21.066 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.458 -12.067 20.465 1.00 0.00 O ATOM 0 H GLU A 23 6.229 -9.701 16.879 1.00 0.00 H new ATOM 0 HA GLU A 23 8.416 -11.152 16.124 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.294 -11.948 18.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.610 -10.271 18.234 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.648 -9.567 19.159 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.722 -10.818 18.354 1.00 0.00 H new ATOM 303 N ASP A 24 5.934 -13.134 17.012 1.00 0.00 N ATOM 304 CA ASP A 24 5.424 -14.490 16.899 1.00 0.00 C ATOM 305 C ASP A 24 4.104 -14.471 16.126 1.00 0.00 C ATOM 306 O ASP A 24 3.047 -14.751 16.688 1.00 0.00 O ATOM 307 CB ASP A 24 5.155 -15.094 18.279 1.00 0.00 C ATOM 308 CG ASP A 24 5.273 -16.618 18.351 1.00 0.00 C ATOM 309 OD1 ASP A 24 6.415 -17.106 18.209 1.00 0.00 O ATOM 310 OD2 ASP A 24 4.219 -17.260 18.548 1.00 0.00 O ATOM 0 H ASP A 24 5.312 -12.483 17.492 1.00 0.00 H new ATOM 0 HA ASP A 24 6.173 -15.090 16.382 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.853 -14.656 18.993 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.152 -14.807 18.596 1.00 0.00 H new ATOM 315 N ALA A 25 4.209 -14.138 14.847 1.00 0.00 N ATOM 316 CA ALA A 25 3.036 -14.079 13.991 1.00 0.00 C ATOM 317 C ALA A 25 3.352 -14.752 12.654 1.00 0.00 C ATOM 318 O ALA A 25 4.247 -14.316 11.931 1.00 0.00 O ATOM 319 CB ALA A 25 2.601 -12.622 13.822 1.00 0.00 C ATOM 0 H ALA A 25 5.088 -13.907 14.384 1.00 0.00 H new ATOM 0 HA ALA A 25 2.203 -14.618 14.443 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.721 -12.577 13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.361 -12.199 14.797 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.411 -12.051 13.368 1.00 0.00 H new ATOM 325 N ASP A 26 2.600 -15.804 12.365 1.00 0.00 N ATOM 326 CA ASP A 26 2.789 -16.542 11.128 1.00 0.00 C ATOM 327 C ASP A 26 2.136 -15.775 9.977 1.00 0.00 C ATOM 328 O ASP A 26 1.079 -16.167 9.485 1.00 0.00 O ATOM 329 CB ASP A 26 2.136 -17.924 11.205 1.00 0.00 C ATOM 330 CG ASP A 26 1.872 -18.591 9.854 1.00 0.00 C ATOM 331 OD1 ASP A 26 2.538 -18.181 8.879 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.010 -19.496 9.827 1.00 0.00 O ATOM 0 H ASP A 26 1.859 -16.163 12.967 1.00 0.00 H new ATOM 0 HA ASP A 26 3.861 -16.658 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.775 -18.579 11.798 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.190 -17.833 11.739 1.00 0.00 H new ATOM 337 N PHE A 27 2.792 -14.694 9.581 1.00 0.00 N ATOM 338 CA PHE A 27 2.289 -13.868 8.497 1.00 0.00 C ATOM 339 C PHE A 27 3.347 -13.689 7.406 1.00 0.00 C ATOM 340 O PHE A 27 4.421 -13.148 7.662 1.00 0.00 O ATOM 341 CB PHE A 27 1.954 -12.500 9.095 1.00 0.00 C ATOM 342 CG PHE A 27 1.531 -11.455 8.061 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.662 -11.791 7.071 1.00 0.00 C ATOM 344 CD2 PHE A 27 2.024 -10.189 8.132 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.269 -10.821 6.111 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.632 -9.219 7.172 1.00 0.00 C ATOM 347 CZ PHE A 27 0.762 -9.556 6.182 1.00 0.00 C ATOM 0 H PHE A 27 3.668 -14.371 9.992 1.00 0.00 H new ATOM 0 HA PHE A 27 1.416 -14.340 8.045 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.152 -12.620 9.824 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.824 -12.129 9.636 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.270 -12.796 7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.714 -9.922 8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.421 -11.088 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.024 -8.214 7.228 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.463 -8.818 5.452 1.00 0.00 H new ATOM 357 N LEU A 28 3.006 -14.155 6.214 1.00 0.00 N ATOM 358 CA LEU A 28 3.913 -14.054 5.084 1.00 0.00 C ATOM 359 C LEU A 28 5.024 -15.096 5.231 1.00 0.00 C ATOM 360 O LEU A 28 6.159 -14.860 4.823 1.00 0.00 O ATOM 361 CB LEU A 28 4.430 -12.621 4.938 1.00 0.00 C ATOM 362 CG LEU A 28 3.369 -11.519 4.973 1.00 0.00 C ATOM 363 CD1 LEU A 28 4.003 -10.157 5.265 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.550 -11.504 3.681 1.00 0.00 C ATOM 0 H LEU A 28 2.114 -14.604 6.006 1.00 0.00 H new ATOM 0 HA LEU A 28 3.389 -14.276 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.148 -12.432 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.973 -12.546 3.996 1.00 0.00 H new ATOM 0 HG LEU A 28 2.679 -11.735 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.227 -9.391 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.505 -10.189 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.728 -9.919 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.803 -10.711 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.211 -11.325 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.051 -12.465 3.555 1.00 0.00 H new ATOM 376 N ASN A 29 4.656 -16.226 5.817 1.00 0.00 N ATOM 377 CA ASN A 29 5.607 -17.305 6.024 1.00 0.00 C ATOM 378 C ASN A 29 6.088 -17.823 4.666 1.00 0.00 C ATOM 379 O ASN A 29 6.196 -17.058 3.710 1.00 0.00 O ATOM 380 CB ASN A 29 4.961 -18.473 6.773 1.00 0.00 C ATOM 381 CG ASN A 29 5.985 -19.192 7.654 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.565 -20.198 7.281 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.172 -18.622 8.841 1.00 0.00 N ATOM 0 H ASN A 29 3.713 -16.418 6.155 1.00 0.00 H new ATOM 0 HA ASN A 29 6.437 -16.914 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.140 -18.105 7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.533 -19.176 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.834 -19.027 9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.653 -17.780 9.090 1.00 0.00 H new ATOM 390 N ASN A 30 6.363 -19.118 4.627 1.00 0.00 N ATOM 391 CA ASN A 30 6.830 -19.747 3.403 1.00 0.00 C ATOM 392 C ASN A 30 5.711 -19.716 2.360 1.00 0.00 C ATOM 393 O ASN A 30 5.109 -20.746 2.059 1.00 0.00 O ATOM 394 CB ASN A 30 7.210 -21.209 3.645 1.00 0.00 C ATOM 395 CG ASN A 30 8.675 -21.331 4.069 1.00 0.00 C ATOM 396 OD1 ASN A 30 9.121 -20.729 5.032 1.00 0.00 O ATOM 397 ND2 ASN A 30 9.395 -22.143 3.300 1.00 0.00 N ATOM 0 H ASN A 30 6.272 -19.749 5.423 1.00 0.00 H new ATOM 0 HA ASN A 30 7.706 -19.200 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.568 -21.633 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.041 -21.788 2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.384 -22.293 3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.958 -22.616 2.509 1.00 0.00 H new ATOM 404 N MET A 31 5.465 -18.523 1.837 1.00 0.00 N ATOM 405 CA MET A 31 4.428 -18.345 0.835 1.00 0.00 C ATOM 406 C MET A 31 4.836 -17.286 -0.192 1.00 0.00 C ATOM 407 O MET A 31 5.968 -16.805 -0.177 1.00 0.00 O ATOM 408 CB MET A 31 3.126 -17.920 1.516 1.00 0.00 C ATOM 409 CG MET A 31 3.408 -17.052 2.745 1.00 0.00 C ATOM 410 SD MET A 31 1.879 -16.657 3.576 1.00 0.00 S ATOM 411 CE MET A 31 1.118 -15.611 2.346 1.00 0.00 C ATOM 0 H MET A 31 5.966 -17.671 2.089 1.00 0.00 H new ATOM 0 HA MET A 31 4.284 -19.293 0.316 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.506 -17.367 0.810 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.561 -18.804 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.077 -17.578 3.426 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.916 -16.135 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.891 -14.640 2.785 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.802 -15.479 1.507 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.197 -16.075 1.994 1.00 0.00 H new ATOM 421 N ASP A 32 3.891 -16.955 -1.060 1.00 0.00 N ATOM 422 CA ASP A 32 4.138 -15.963 -2.093 1.00 0.00 C ATOM 423 C ASP A 32 3.062 -14.878 -2.018 1.00 0.00 C ATOM 424 O ASP A 32 2.195 -14.797 -2.887 1.00 0.00 O ATOM 425 CB ASP A 32 4.079 -16.592 -3.486 1.00 0.00 C ATOM 426 CG ASP A 32 5.313 -17.407 -3.880 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.086 -17.747 -2.959 1.00 0.00 O ATOM 428 OD2 ASP A 32 5.454 -17.672 -5.093 1.00 0.00 O ATOM 0 H ASP A 32 2.953 -17.356 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 32 5.131 -15.544 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.203 -17.238 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.936 -15.799 -4.220 1.00 0.00 H new ATOM 433 N PRO A 33 3.155 -14.049 -0.944 1.00 0.00 N ATOM 434 CA PRO A 33 2.200 -12.972 -0.745 1.00 0.00 C ATOM 435 C PRO A 33 2.472 -11.813 -1.707 1.00 0.00 C ATOM 436 O PRO A 33 3.612 -11.592 -2.112 1.00 0.00 O ATOM 437 CB PRO A 33 2.350 -12.579 0.716 1.00 0.00 C ATOM 438 CG PRO A 33 3.697 -13.125 1.159 1.00 0.00 C ATOM 439 CD PRO A 33 4.168 -14.114 0.105 1.00 0.00 C ATOM 0 HA PRO A 33 1.175 -13.274 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.309 -11.496 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.543 -12.997 1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.418 -12.316 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.610 -13.614 2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.152 -13.845 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.249 -15.121 0.515 1.00 0.00 H new ATOM 447 N TYR A 34 1.405 -11.104 -2.044 1.00 0.00 N ATOM 448 CA TYR A 34 1.514 -9.974 -2.951 1.00 0.00 C ATOM 449 C TYR A 34 0.464 -8.908 -2.628 1.00 0.00 C ATOM 450 O TYR A 34 -0.703 -9.229 -2.407 1.00 0.00 O ATOM 451 CB TYR A 34 1.246 -10.529 -4.351 1.00 0.00 C ATOM 452 CG TYR A 34 -0.207 -10.943 -4.589 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.625 -12.216 -4.257 1.00 0.00 C ATOM 454 CD2 TYR A 34 -1.101 -10.044 -5.134 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.993 -12.606 -4.481 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.469 -10.434 -5.358 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.847 -11.695 -5.020 1.00 0.00 C ATOM 458 OH TYR A 34 -4.139 -12.064 -5.232 1.00 0.00 O ATOM 0 H TYR A 34 0.461 -11.290 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 34 2.496 -9.508 -2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.524 -9.776 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.891 -11.392 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.074 -12.919 -3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.775 -9.048 -5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.333 -13.599 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.178 -9.740 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.401 -12.734 -4.567 1.00 0.00 H new ATOM 468 N VAL A 35 0.917 -7.663 -2.611 1.00 0.00 N ATOM 469 CA VAL A 35 0.031 -6.549 -2.319 1.00 0.00 C ATOM 470 C VAL A 35 -0.540 -6.000 -3.628 1.00 0.00 C ATOM 471 O VAL A 35 0.121 -6.045 -4.665 1.00 0.00 O ATOM 472 CB VAL A 35 0.773 -5.491 -1.500 1.00 0.00 C ATOM 473 CG1 VAL A 35 -0.119 -4.276 -1.236 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.298 -6.081 -0.190 1.00 0.00 C ATOM 0 H VAL A 35 1.886 -7.401 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.811 -6.880 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 35 1.630 -5.156 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.433 -3.539 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.422 -3.834 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.005 -4.588 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.821 -5.308 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.462 -6.457 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.985 -6.899 -0.409 1.00 0.00 H new ATOM 484 N GLN A 36 -1.761 -5.494 -3.538 1.00 0.00 N ATOM 485 CA GLN A 36 -2.428 -4.937 -4.703 1.00 0.00 C ATOM 486 C GLN A 36 -2.767 -3.464 -4.466 1.00 0.00 C ATOM 487 O GLN A 36 -3.782 -3.148 -3.849 1.00 0.00 O ATOM 488 CB GLN A 36 -3.684 -5.739 -5.051 1.00 0.00 C ATOM 489 CG GLN A 36 -4.575 -4.966 -6.025 1.00 0.00 C ATOM 490 CD GLN A 36 -5.553 -5.904 -6.736 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.263 -6.475 -7.774 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.725 -6.031 -6.120 1.00 0.00 N ATOM 0 H GLN A 36 -2.306 -5.458 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.748 -5.002 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.399 -6.694 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.241 -5.962 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.129 -4.198 -5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.956 -4.454 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.903 -5.524 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.446 -6.635 -6.515 1.00 0.00 H new ATOM 501 N LEU A 37 -1.896 -2.602 -4.970 1.00 0.00 N ATOM 502 CA LEU A 37 -2.090 -1.169 -4.821 1.00 0.00 C ATOM 503 C LEU A 37 -3.334 -0.743 -5.604 1.00 0.00 C ATOM 504 O LEU A 37 -3.464 -1.054 -6.787 1.00 0.00 O ATOM 505 CB LEU A 37 -0.822 -0.412 -5.222 1.00 0.00 C ATOM 506 CG LEU A 37 0.183 -0.146 -4.100 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.066 -1.074 -2.909 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.620 -0.249 -4.616 1.00 0.00 C ATOM 0 H LEU A 37 -1.055 -2.868 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.268 -0.915 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.319 -0.976 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.115 0.545 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 37 0.039 0.875 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.662 -0.864 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.072 -0.909 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.034 -2.111 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.315 -0.056 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.794 -1.250 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.776 0.485 -5.406 1.00 0.00 H new ATOM 520 N THR A 38 -4.217 -0.039 -4.912 1.00 0.00 N ATOM 521 CA THR A 38 -5.446 0.432 -5.527 1.00 0.00 C ATOM 522 C THR A 38 -5.634 1.928 -5.264 1.00 0.00 C ATOM 523 O THR A 38 -5.457 2.391 -4.139 1.00 0.00 O ATOM 524 CB THR A 38 -6.598 -0.427 -5.002 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.117 -1.763 -5.122 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.823 -0.388 -5.918 1.00 0.00 C ATOM 0 H THR A 38 -4.106 0.217 -3.931 1.00 0.00 H new ATOM 0 HA THR A 38 -5.412 0.326 -6.611 1.00 0.00 H new ATOM 0 HB THR A 38 -6.880 -0.087 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.801 -2.387 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.611 -1.014 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.181 0.638 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.551 -0.760 -6.906 1.00 0.00 H new ATOM 534 N CYS A 39 -5.992 2.642 -6.322 1.00 0.00 N ATOM 535 CA CYS A 39 -6.206 4.075 -6.220 1.00 0.00 C ATOM 536 C CYS A 39 -7.407 4.445 -7.093 1.00 0.00 C ATOM 537 O CYS A 39 -7.330 4.382 -8.319 1.00 0.00 O ATOM 538 CB CYS A 39 -4.954 4.864 -6.608 1.00 0.00 C ATOM 539 SG CYS A 39 -4.454 5.962 -5.232 1.00 0.00 S ATOM 0 H CYS A 39 -6.139 2.254 -7.254 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.415 4.340 -5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.142 4.178 -6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.149 5.455 -7.503 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.389 6.625 -5.571 1.00 0.00 H new ATOM 545 N ARG A 40 -8.488 4.822 -6.427 1.00 0.00 N ATOM 546 CA ARG A 40 -9.704 5.202 -7.127 1.00 0.00 C ATOM 547 C ARG A 40 -10.218 4.033 -7.970 1.00 0.00 C ATOM 548 O ARG A 40 -11.102 3.294 -7.539 1.00 0.00 O ATOM 549 CB ARG A 40 -9.461 6.409 -8.036 1.00 0.00 C ATOM 550 CG ARG A 40 -10.222 7.636 -7.531 1.00 0.00 C ATOM 551 CD ARG A 40 -9.375 8.902 -7.671 1.00 0.00 C ATOM 552 NE ARG A 40 -9.776 9.649 -8.883 1.00 0.00 N ATOM 553 CZ ARG A 40 -9.276 9.423 -10.105 1.00 0.00 C ATOM 554 NH1 ARG A 40 -8.351 8.469 -10.284 1.00 0.00 N ATOM 555 NH2 ARG A 40 -9.699 10.149 -11.149 1.00 0.00 N ATOM 0 H ARG A 40 -8.548 4.873 -5.410 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.449 5.469 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.394 6.629 -8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.777 6.173 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.149 7.750 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.498 7.493 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.498 9.531 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.319 8.638 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.478 10.383 -8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.029 7.916 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.970 8.296 -11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.403 10.875 -11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.317 9.976 -12.079 1.00 0.00 H new ATOM 569 N THR A 41 -9.642 3.902 -9.156 1.00 0.00 N ATOM 570 CA THR A 41 -10.031 2.835 -10.063 1.00 0.00 C ATOM 571 C THR A 41 -8.794 2.199 -10.700 1.00 0.00 C ATOM 572 O THR A 41 -8.911 1.407 -11.634 1.00 0.00 O ATOM 573 CB THR A 41 -11.010 3.417 -11.085 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.047 2.442 -12.124 1.00 0.00 O ATOM 575 CG2 THR A 41 -10.463 4.671 -11.770 1.00 0.00 C ATOM 0 H THR A 41 -8.909 4.517 -9.510 1.00 0.00 H new ATOM 0 HA THR A 41 -10.535 2.028 -9.531 1.00 0.00 H new ATOM 0 HB THR A 41 -11.952 3.654 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.538 1.651 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.196 5.044 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.264 5.437 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.538 4.426 -12.293 1.00 0.00 H new ATOM 583 N GLN A 42 -7.638 2.568 -10.168 1.00 0.00 N ATOM 584 CA GLN A 42 -6.381 2.043 -10.673 1.00 0.00 C ATOM 585 C GLN A 42 -5.861 0.936 -9.754 1.00 0.00 C ATOM 586 O GLN A 42 -5.520 1.191 -8.600 1.00 0.00 O ATOM 587 CB GLN A 42 -5.345 3.157 -10.829 1.00 0.00 C ATOM 588 CG GLN A 42 -5.804 4.192 -11.858 1.00 0.00 C ATOM 589 CD GLN A 42 -5.161 5.555 -11.590 1.00 0.00 C ATOM 590 OE1 GLN A 42 -4.353 6.051 -12.358 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.564 6.130 -10.460 1.00 0.00 N ATOM 0 H GLN A 42 -7.546 3.224 -9.393 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.558 1.616 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.181 3.643 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.391 2.730 -11.138 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.543 3.854 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.890 4.285 -11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.244 5.659 -9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.193 7.041 -10.191 1.00 0.00 H new ATOM 600 N ASP A 43 -5.816 -0.271 -10.300 1.00 0.00 N ATOM 601 CA ASP A 43 -5.343 -1.418 -9.544 1.00 0.00 C ATOM 602 C ASP A 43 -4.003 -1.883 -10.116 1.00 0.00 C ATOM 603 O ASP A 43 -3.870 -2.066 -11.325 1.00 0.00 O ATOM 604 CB ASP A 43 -6.329 -2.584 -9.639 1.00 0.00 C ATOM 605 CG ASP A 43 -7.157 -2.628 -10.925 1.00 0.00 C ATOM 606 OD1 ASP A 43 -7.807 -1.601 -11.216 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.120 -3.688 -11.587 1.00 0.00 O ATOM 0 H ASP A 43 -6.100 -0.479 -11.257 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.241 -1.116 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.774 -3.518 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.009 -2.535 -8.788 1.00 0.00 H new ATOM 612 N GLN A 44 -3.043 -2.062 -9.220 1.00 0.00 N ATOM 613 CA GLN A 44 -1.718 -2.502 -9.620 1.00 0.00 C ATOM 614 C GLN A 44 -1.085 -3.351 -8.516 1.00 0.00 C ATOM 615 O GLN A 44 -0.964 -2.905 -7.377 1.00 0.00 O ATOM 616 CB GLN A 44 -0.827 -1.309 -9.974 1.00 0.00 C ATOM 617 CG GLN A 44 -1.498 -0.415 -11.018 1.00 0.00 C ATOM 618 CD GLN A 44 -0.635 0.811 -11.325 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.499 0.709 -11.766 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.232 1.971 -11.070 1.00 0.00 N ATOM 0 H GLN A 44 -3.157 -1.910 -8.218 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.816 -3.118 -10.514 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.615 -0.729 -9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.130 -1.666 -10.356 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.668 -0.983 -11.933 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.475 -0.095 -10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.183 1.985 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.739 2.847 -11.243 1.00 0.00 H new ATOM 629 N LYS A 45 -0.697 -4.561 -8.893 1.00 0.00 N ATOM 630 CA LYS A 45 -0.079 -5.477 -7.949 1.00 0.00 C ATOM 631 C LYS A 45 1.442 -5.406 -8.097 1.00 0.00 C ATOM 632 O LYS A 45 1.949 -4.853 -9.072 1.00 0.00 O ATOM 633 CB LYS A 45 -0.649 -6.887 -8.120 1.00 0.00 C ATOM 634 CG LYS A 45 -1.968 -7.041 -7.362 1.00 0.00 C ATOM 635 CD LYS A 45 -2.943 -7.934 -8.133 1.00 0.00 C ATOM 636 CE LYS A 45 -2.286 -9.263 -8.511 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.013 -9.900 -9.631 1.00 0.00 N ATOM 0 H LYS A 45 -0.799 -4.928 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.313 -5.185 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.808 -7.093 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.071 -7.621 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.778 -7.469 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.416 -6.060 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.828 -8.122 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.278 -7.420 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.247 -9.094 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.278 -9.930 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.554 -10.801 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.998 -10.078 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.999 -9.269 -10.458 1.00 0.00 H new ATOM 651 N SER A 46 2.127 -5.972 -7.115 1.00 0.00 N ATOM 652 CA SER A 46 3.580 -5.980 -7.124 1.00 0.00 C ATOM 653 C SER A 46 4.094 -7.403 -7.348 1.00 0.00 C ATOM 654 O SER A 46 3.323 -8.360 -7.301 1.00 0.00 O ATOM 655 CB SER A 46 4.141 -5.412 -5.819 1.00 0.00 C ATOM 656 OG SER A 46 5.408 -4.787 -6.010 1.00 0.00 O ATOM 0 H SER A 46 1.703 -6.429 -6.307 1.00 0.00 H new ATOM 0 HA SER A 46 3.921 -5.345 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.438 -4.688 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.239 -6.214 -5.087 1.00 0.00 H new ATOM 0 HG SER A 46 5.658 -4.299 -5.198 1.00 0.00 H new ATOM 662 N ASN A 47 5.394 -7.498 -7.587 1.00 0.00 N ATOM 663 CA ASN A 47 6.021 -8.788 -7.819 1.00 0.00 C ATOM 664 C ASN A 47 5.581 -9.767 -6.728 1.00 0.00 C ATOM 665 O ASN A 47 5.159 -9.352 -5.650 1.00 0.00 O ATOM 666 CB ASN A 47 7.546 -8.677 -7.767 1.00 0.00 C ATOM 667 CG ASN A 47 8.078 -7.872 -8.954 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.490 -6.730 -8.828 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.046 -8.528 -10.110 1.00 0.00 N ATOM 0 H ASN A 47 6.030 -6.702 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 47 5.719 -9.137 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.848 -8.200 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.987 -9.674 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.379 -8.077 -10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.688 -9.483 -10.145 1.00 0.00 H new ATOM 676 N VAL A 48 5.694 -11.048 -7.047 1.00 0.00 N ATOM 677 CA VAL A 48 5.313 -12.089 -6.108 1.00 0.00 C ATOM 678 C VAL A 48 6.512 -12.436 -5.223 1.00 0.00 C ATOM 679 O VAL A 48 7.444 -13.103 -5.669 1.00 0.00 O ATOM 680 CB VAL A 48 4.759 -13.298 -6.864 1.00 0.00 C ATOM 681 CG1 VAL A 48 4.872 -14.571 -6.022 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.312 -13.056 -7.300 1.00 0.00 C ATOM 0 H VAL A 48 6.044 -11.388 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 48 4.516 -11.739 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 48 5.361 -13.436 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.471 -15.415 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.919 -14.758 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.306 -14.448 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.942 -13.931 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.692 -12.879 -6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.270 -12.185 -7.955 1.00 0.00 H new ATOM 692 N ALA A 49 6.449 -11.966 -3.986 1.00 0.00 N ATOM 693 CA ALA A 49 7.519 -12.218 -3.035 1.00 0.00 C ATOM 694 C ALA A 49 7.618 -13.722 -2.772 1.00 0.00 C ATOM 695 O ALA A 49 6.969 -14.242 -1.865 1.00 0.00 O ATOM 696 CB ALA A 49 7.263 -11.419 -1.755 1.00 0.00 C ATOM 0 H ALA A 49 5.674 -11.412 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 49 8.477 -11.890 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.065 -11.608 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.230 -10.355 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.311 -11.724 -1.320 1.00 0.00 H new ATOM 702 N GLU A 50 8.435 -14.379 -3.582 1.00 0.00 N ATOM 703 CA GLU A 50 8.628 -15.813 -3.449 1.00 0.00 C ATOM 704 C GLU A 50 9.560 -16.117 -2.274 1.00 0.00 C ATOM 705 O GLU A 50 10.729 -15.734 -2.289 1.00 0.00 O ATOM 706 CB GLU A 50 9.168 -16.417 -4.747 1.00 0.00 C ATOM 707 CG GLU A 50 8.139 -16.305 -5.873 1.00 0.00 C ATOM 708 CD GLU A 50 8.824 -16.274 -7.241 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.100 -17.376 -7.763 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.056 -15.149 -7.734 1.00 0.00 O ATOM 0 H GLU A 50 8.971 -13.944 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 50 7.660 -16.272 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.086 -15.905 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.424 -17.464 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.450 -17.149 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.545 -15.401 -5.739 1.00 0.00 H new ATOM 717 N GLY A 51 9.007 -16.801 -1.283 1.00 0.00 N ATOM 718 CA GLY A 51 9.774 -17.161 -0.103 1.00 0.00 C ATOM 719 C GLY A 51 10.753 -16.047 0.275 1.00 0.00 C ATOM 720 O GLY A 51 11.880 -16.015 -0.215 1.00 0.00 O ATOM 0 H GLY A 51 8.037 -17.115 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.098 -17.354 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.322 -18.084 -0.289 1.00 0.00 H new ATOM 724 N MET A 52 10.286 -15.162 1.143 1.00 0.00 N ATOM 725 CA MET A 52 11.106 -14.050 1.592 1.00 0.00 C ATOM 726 C MET A 52 11.502 -14.218 3.060 1.00 0.00 C ATOM 727 O MET A 52 12.575 -13.778 3.472 1.00 0.00 O ATOM 728 CB MET A 52 10.332 -12.741 1.419 1.00 0.00 C ATOM 729 CG MET A 52 10.427 -12.234 -0.021 1.00 0.00 C ATOM 730 SD MET A 52 11.848 -11.169 -0.200 1.00 0.00 S ATOM 731 CE MET A 52 11.781 -10.855 -1.956 1.00 0.00 C ATOM 0 H MET A 52 9.350 -15.192 1.547 1.00 0.00 H new ATOM 0 HA MET A 52 12.014 -14.028 0.990 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.286 -12.895 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.728 -11.988 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.505 -13.077 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.520 -11.691 -0.285 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.605 -10.200 -2.240 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.863 -11.797 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.834 -10.375 -2.204 1.00 0.00 H new ATOM 741 N GLY A 53 10.616 -14.857 3.810 1.00 0.00 N ATOM 742 CA GLY A 53 10.859 -15.089 5.223 1.00 0.00 C ATOM 743 C GLY A 53 10.058 -14.112 6.085 1.00 0.00 C ATOM 744 O GLY A 53 10.626 -13.211 6.701 1.00 0.00 O ATOM 0 H GLY A 53 9.728 -15.221 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.587 -16.113 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.922 -14.979 5.435 1.00 0.00 H new ATOM 748 N THR A 54 8.750 -14.324 6.103 1.00 0.00 N ATOM 749 CA THR A 54 7.864 -13.473 6.880 1.00 0.00 C ATOM 750 C THR A 54 8.242 -12.002 6.697 1.00 0.00 C ATOM 751 O THR A 54 7.981 -11.177 7.571 1.00 0.00 O ATOM 752 CB THR A 54 7.919 -13.938 8.336 1.00 0.00 C ATOM 753 OG1 THR A 54 9.255 -14.406 8.501 1.00 0.00 O ATOM 754 CG2 THR A 54 7.057 -15.177 8.588 1.00 0.00 C ATOM 0 H THR A 54 8.282 -15.073 5.592 1.00 0.00 H new ATOM 0 HA THR A 54 6.833 -13.556 6.536 1.00 0.00 H new ATOM 0 HB THR A 54 7.591 -13.128 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.379 -14.725 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.132 -15.465 9.637 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.018 -14.953 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.406 -15.997 7.961 1.00 0.00 H new ATOM 762 N THR A 55 8.852 -11.718 5.556 1.00 0.00 N ATOM 763 CA THR A 55 9.269 -10.360 5.247 1.00 0.00 C ATOM 764 C THR A 55 9.409 -10.176 3.735 1.00 0.00 C ATOM 765 O THR A 55 10.521 -10.126 3.212 1.00 0.00 O ATOM 766 CB THR A 55 10.561 -10.076 6.016 1.00 0.00 C ATOM 767 OG1 THR A 55 11.409 -11.173 5.688 1.00 0.00 O ATOM 768 CG2 THR A 55 10.377 -10.188 7.531 1.00 0.00 C ATOM 0 H THR A 55 9.068 -12.405 4.834 1.00 0.00 H new ATOM 0 HA THR A 55 8.519 -9.634 5.563 1.00 0.00 H new ATOM 0 HB THR A 55 10.920 -9.077 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.277 -11.894 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.323 -9.977 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.626 -9.470 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.051 -11.197 7.784 1.00 0.00 H new ATOM 776 N PRO A 56 8.234 -10.077 3.057 1.00 0.00 N ATOM 777 CA PRO A 56 8.215 -9.899 1.615 1.00 0.00 C ATOM 778 C PRO A 56 8.595 -8.467 1.234 1.00 0.00 C ATOM 779 O PRO A 56 7.849 -7.529 1.508 1.00 0.00 O ATOM 780 CB PRO A 56 6.803 -10.271 1.191 1.00 0.00 C ATOM 781 CG PRO A 56 5.956 -10.195 2.451 1.00 0.00 C ATOM 782 CD PRO A 56 6.898 -10.131 3.643 1.00 0.00 C ATOM 0 HA PRO A 56 8.948 -10.524 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.431 -9.587 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.775 -11.272 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.312 -9.316 2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.304 -11.065 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.700 -9.253 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.783 -11.003 4.286 1.00 0.00 H new ATOM 790 N GLU A 57 9.757 -8.344 0.608 1.00 0.00 N ATOM 791 CA GLU A 57 10.246 -7.042 0.187 1.00 0.00 C ATOM 792 C GLU A 57 10.023 -6.852 -1.315 1.00 0.00 C ATOM 793 O GLU A 57 10.338 -7.736 -2.109 1.00 0.00 O ATOM 794 CB GLU A 57 11.722 -6.867 0.549 1.00 0.00 C ATOM 795 CG GLU A 57 12.303 -5.614 -0.109 1.00 0.00 C ATOM 796 CD GLU A 57 13.820 -5.547 0.083 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.234 -5.210 1.214 1.00 0.00 O ATOM 798 OE2 GLU A 57 14.530 -5.834 -0.904 1.00 0.00 O ATOM 0 H GLU A 57 10.374 -9.125 0.382 1.00 0.00 H new ATOM 0 HA GLU A 57 9.683 -6.275 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.829 -6.796 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.285 -7.744 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.067 -5.615 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.839 -4.726 0.319 1.00 0.00 H new ATOM 805 N TRP A 58 9.482 -5.692 -1.658 1.00 0.00 N ATOM 806 CA TRP A 58 9.214 -5.375 -3.050 1.00 0.00 C ATOM 807 C TRP A 58 10.124 -4.214 -3.455 1.00 0.00 C ATOM 808 O TRP A 58 10.924 -4.341 -4.381 1.00 0.00 O ATOM 809 CB TRP A 58 7.730 -5.074 -3.268 1.00 0.00 C ATOM 810 CG TRP A 58 6.794 -6.198 -2.817 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.315 -7.215 -3.545 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.241 -6.378 -1.496 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.497 -8.034 -2.794 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.451 -7.508 -1.508 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.404 -5.610 -0.329 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.761 -7.974 -0.382 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.708 -6.088 0.788 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.908 -7.225 0.792 1.00 0.00 C ATOM 0 H TRP A 58 9.222 -4.961 -0.996 1.00 0.00 H new ATOM 0 HA TRP A 58 9.435 -6.230 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.472 -4.162 -2.730 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.561 -4.878 -4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.541 -7.374 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.015 -8.871 -3.122 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.018 -4.722 -0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.149 -8.863 -0.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.799 -5.535 1.711 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.402 -7.529 1.696 1.00 0.00 H new ATOM 829 N ASN A 59 9.973 -3.108 -2.741 1.00 0.00 N ATOM 830 CA ASN A 59 10.771 -1.925 -3.013 1.00 0.00 C ATOM 831 C ASN A 59 10.451 -1.412 -4.419 1.00 0.00 C ATOM 832 O ASN A 59 11.336 -0.929 -5.123 1.00 0.00 O ATOM 833 CB ASN A 59 12.266 -2.245 -2.956 1.00 0.00 C ATOM 834 CG ASN A 59 12.808 -2.080 -1.534 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.421 -3.160 -1.060 1.00 0.00 O flip ATOM 836 ND2 ASN A 59 12.678 -1.040 -0.910 1.00 0.00 N flip ATOM 0 H ASN A 59 9.309 -3.007 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 59 10.533 -1.176 -2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.436 -3.266 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.809 -1.587 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.196 -0.248 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.052 -0.963 0.036 1.00 0.00 H new ATOM 843 N GLU A 60 9.184 -1.534 -4.784 1.00 0.00 N ATOM 844 CA GLU A 60 8.736 -1.089 -6.093 1.00 0.00 C ATOM 845 C GLU A 60 8.255 0.362 -6.024 1.00 0.00 C ATOM 846 O GLU A 60 8.432 1.030 -5.007 1.00 0.00 O ATOM 847 CB GLU A 60 7.639 -2.005 -6.638 1.00 0.00 C ATOM 848 CG GLU A 60 8.228 -3.086 -7.546 1.00 0.00 C ATOM 849 CD GLU A 60 7.826 -2.857 -9.005 1.00 0.00 C ATOM 850 OE1 GLU A 60 6.694 -2.368 -9.211 1.00 0.00 O ATOM 851 OE2 GLU A 60 8.659 -3.177 -9.880 1.00 0.00 O ATOM 0 H GLU A 60 8.453 -1.935 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 60 9.580 -1.139 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.105 -2.472 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.911 -1.415 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.315 -3.085 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.883 -4.067 -7.220 1.00 0.00 H new ATOM 858 N THR A 61 7.656 0.806 -7.119 1.00 0.00 N ATOM 859 CA THR A 61 7.148 2.165 -7.196 1.00 0.00 C ATOM 860 C THR A 61 5.917 2.224 -8.102 1.00 0.00 C ATOM 861 O THR A 61 5.994 1.889 -9.283 1.00 0.00 O ATOM 862 CB THR A 61 8.290 3.071 -7.663 1.00 0.00 C ATOM 863 OG1 THR A 61 9.118 3.207 -6.511 1.00 0.00 O ATOM 864 CG2 THR A 61 7.823 4.498 -7.957 1.00 0.00 C ATOM 0 H THR A 61 7.511 0.248 -7.961 1.00 0.00 H new ATOM 0 HA THR A 61 6.812 2.517 -6.221 1.00 0.00 H new ATOM 0 HB THR A 61 8.747 2.647 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.885 3.778 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.672 5.098 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.067 4.479 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.397 4.935 -7.054 1.00 0.00 H new ATOM 872 N PHE A 62 4.810 2.652 -7.514 1.00 0.00 N ATOM 873 CA PHE A 62 3.563 2.759 -8.253 1.00 0.00 C ATOM 874 C PHE A 62 3.047 4.200 -8.251 1.00 0.00 C ATOM 875 O PHE A 62 3.011 4.849 -7.207 1.00 0.00 O ATOM 876 CB PHE A 62 2.545 1.864 -7.545 1.00 0.00 C ATOM 877 CG PHE A 62 3.004 0.415 -7.371 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.857 0.089 -6.363 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.560 -0.546 -8.224 1.00 0.00 C ATOM 880 CE1 PHE A 62 4.284 -1.256 -6.202 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.987 -1.891 -8.063 1.00 0.00 C ATOM 882 CZ PHE A 62 3.840 -2.217 -7.055 1.00 0.00 C ATOM 0 H PHE A 62 4.750 2.929 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 62 3.717 2.458 -9.289 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.327 2.285 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.613 1.874 -8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.209 0.853 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.883 -0.287 -9.024 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.961 -1.515 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.635 -2.655 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.165 -3.240 -6.932 1.00 0.00 H new ATOM 892 N ILE A 63 2.660 4.657 -9.433 1.00 0.00 N ATOM 893 CA ILE A 63 2.147 6.009 -9.581 1.00 0.00 C ATOM 894 C ILE A 63 0.624 5.960 -9.715 1.00 0.00 C ATOM 895 O ILE A 63 0.069 4.963 -10.174 1.00 0.00 O ATOM 896 CB ILE A 63 2.844 6.722 -10.741 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.314 6.309 -10.836 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.681 8.239 -10.629 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.154 7.023 -9.775 1.00 0.00 C ATOM 0 H ILE A 63 2.691 4.116 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 63 2.370 6.601 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 63 2.363 6.414 -11.669 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.401 5.230 -10.708 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.698 6.545 -11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.186 8.722 -11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.621 8.494 -10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.120 8.584 -9.693 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.195 6.712 -9.865 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.084 8.101 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.782 6.766 -8.783 1.00 0.00 H new ATOM 911 N PHE A 64 -0.010 7.049 -9.305 1.00 0.00 N ATOM 912 CA PHE A 64 -1.458 7.142 -9.373 1.00 0.00 C ATOM 913 C PHE A 64 -1.908 8.598 -9.513 1.00 0.00 C ATOM 914 O PHE A 64 -1.477 9.461 -8.748 1.00 0.00 O ATOM 915 CB PHE A 64 -2.006 6.576 -8.062 1.00 0.00 C ATOM 916 CG PHE A 64 -2.001 5.048 -7.994 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.845 4.330 -8.783 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.154 4.407 -7.145 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.841 2.911 -8.720 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.150 2.988 -7.082 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.994 2.270 -7.871 1.00 0.00 C ATOM 0 H PHE A 64 0.453 7.874 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.825 6.591 -10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.416 6.968 -7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.027 6.932 -7.923 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.518 4.839 -9.457 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.484 4.977 -6.518 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.511 2.341 -9.347 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.477 2.479 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.991 1.191 -7.823 1.00 0.00 H new ATOM 931 N THR A 65 -2.767 8.827 -10.495 1.00 0.00 N ATOM 932 CA THR A 65 -3.279 10.164 -10.745 1.00 0.00 C ATOM 933 C THR A 65 -4.291 10.558 -9.667 1.00 0.00 C ATOM 934 O THR A 65 -5.208 9.796 -9.363 1.00 0.00 O ATOM 935 CB THR A 65 -3.859 10.191 -12.161 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.712 10.261 -13.004 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.619 11.485 -12.457 1.00 0.00 C ATOM 0 H THR A 65 -3.122 8.109 -11.127 1.00 0.00 H new ATOM 0 HA THR A 65 -2.485 10.908 -10.689 1.00 0.00 H new ATOM 0 HB THR A 65 -4.526 9.339 -12.297 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.996 10.281 -13.942 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.010 11.453 -13.474 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.445 11.591 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.944 12.335 -12.354 1.00 0.00 H new ATOM 945 N VAL A 66 -4.089 11.746 -9.117 1.00 0.00 N ATOM 946 CA VAL A 66 -4.972 12.251 -8.079 1.00 0.00 C ATOM 947 C VAL A 66 -5.716 13.481 -8.602 1.00 0.00 C ATOM 948 O VAL A 66 -5.181 14.238 -9.410 1.00 0.00 O ATOM 949 CB VAL A 66 -4.174 12.532 -6.804 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.106 12.820 -5.626 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.227 11.373 -6.484 1.00 0.00 C ATOM 0 H VAL A 66 -3.326 12.374 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.722 11.504 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.569 13.422 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.513 13.016 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.720 13.691 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.750 11.958 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.672 11.598 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.805 10.460 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.529 11.235 -7.310 1.00 0.00 H new ATOM 961 N SER A 67 -6.940 13.642 -8.119 1.00 0.00 N ATOM 962 CA SER A 67 -7.763 14.767 -8.528 1.00 0.00 C ATOM 963 C SER A 67 -8.859 15.018 -7.490 1.00 0.00 C ATOM 964 O SER A 67 -9.018 16.138 -7.007 1.00 0.00 O ATOM 965 CB SER A 67 -8.382 14.525 -9.906 1.00 0.00 C ATOM 966 OG SER A 67 -9.399 15.477 -10.209 1.00 0.00 O ATOM 0 H SER A 67 -7.381 13.012 -7.449 1.00 0.00 H new ATOM 0 HA SER A 67 -7.127 15.649 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.603 14.572 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.803 13.520 -9.943 1.00 0.00 H new ATOM 0 HG SER A 67 -9.768 15.290 -11.097 1.00 0.00 H new ATOM 972 N GLU A 68 -9.588 13.956 -7.178 1.00 0.00 N ATOM 973 CA GLU A 68 -10.664 14.047 -6.206 1.00 0.00 C ATOM 974 C GLU A 68 -11.140 12.648 -5.809 1.00 0.00 C ATOM 975 O GLU A 68 -11.225 11.755 -6.650 1.00 0.00 O ATOM 976 CB GLU A 68 -11.823 14.886 -6.748 1.00 0.00 C ATOM 977 CG GLU A 68 -12.757 14.038 -7.613 1.00 0.00 C ATOM 978 CD GLU A 68 -13.906 14.881 -8.170 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.640 16.060 -8.490 1.00 0.00 O ATOM 980 OE2 GLU A 68 -15.023 14.328 -8.263 1.00 0.00 O ATOM 0 H GLU A 68 -9.454 13.029 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.282 14.546 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.383 15.318 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.432 15.716 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.195 13.595 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.159 13.215 -7.022 1.00 0.00 H new ATOM 987 N GLY A 69 -11.437 12.501 -4.526 1.00 0.00 N ATOM 988 CA GLY A 69 -11.902 11.226 -4.007 1.00 0.00 C ATOM 989 C GLY A 69 -10.741 10.412 -3.433 1.00 0.00 C ATOM 990 O GLY A 69 -10.799 9.962 -2.289 1.00 0.00 O ATOM 0 H GLY A 69 -11.365 13.244 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.650 11.396 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.389 10.661 -4.802 1.00 0.00 H new ATOM 994 N THR A 70 -9.713 10.247 -4.253 1.00 0.00 N ATOM 995 CA THR A 70 -8.540 9.494 -3.841 1.00 0.00 C ATOM 996 C THR A 70 -7.760 10.265 -2.774 1.00 0.00 C ATOM 997 O THR A 70 -7.068 11.233 -3.084 1.00 0.00 O ATOM 998 CB THR A 70 -7.715 9.183 -5.091 1.00 0.00 C ATOM 999 OG1 THR A 70 -8.235 7.938 -5.550 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.251 8.879 -4.766 1.00 0.00 C ATOM 0 H THR A 70 -9.668 10.622 -5.201 1.00 0.00 H new ATOM 0 HA THR A 70 -8.819 8.549 -3.375 1.00 0.00 H new ATOM 0 HB THR A 70 -7.766 10.027 -5.778 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.528 7.436 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.710 8.665 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.801 9.741 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.197 8.014 -4.105 1.00 0.00 H new ATOM 1008 N THR A 71 -7.899 9.806 -1.539 1.00 0.00 N ATOM 1009 CA THR A 71 -7.216 10.440 -0.424 1.00 0.00 C ATOM 1010 C THR A 71 -6.481 9.394 0.416 1.00 0.00 C ATOM 1011 O THR A 71 -5.916 9.716 1.460 1.00 0.00 O ATOM 1012 CB THR A 71 -8.250 11.240 0.371 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.274 10.293 0.661 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.952 12.299 -0.481 1.00 0.00 C ATOM 0 H THR A 71 -8.474 9.003 -1.286 1.00 0.00 H new ATOM 0 HA THR A 71 -6.447 11.130 -0.772 1.00 0.00 H new ATOM 0 HB THR A 71 -7.762 11.721 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.985 10.728 1.177 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.675 12.838 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.214 13.000 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.468 11.815 -1.311 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.511 8.162 -0.072 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.854 7.067 0.621 1.00 0.00 C ATOM 1024 C GLU A 72 -5.702 5.864 -0.313 1.00 0.00 C ATOM 1025 O GLU A 72 -6.579 5.594 -1.132 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.620 6.683 1.889 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.771 5.728 1.566 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.824 5.745 2.676 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -8.905 6.784 3.366 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.524 4.718 2.809 1.00 0.00 O ATOM 0 H GLU A 72 -6.980 7.898 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.860 7.397 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.941 6.212 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.011 7.581 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.230 6.013 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.385 4.716 1.441 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.581 5.174 -0.159 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.302 4.007 -0.978 1.00 0.00 C ATOM 1039 C LEU A 73 -4.630 2.742 -0.183 1.00 0.00 C ATOM 1040 O LEU A 73 -4.391 2.682 1.022 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.865 4.050 -1.500 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.387 2.806 -2.252 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.735 2.897 -3.739 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.892 2.570 -2.026 1.00 0.00 C ATOM 0 H LEU A 73 -3.855 5.401 0.521 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.938 4.002 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.765 4.911 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.197 4.218 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.914 1.940 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.384 2.001 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.815 2.982 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.254 3.774 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.578 1.680 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.329 3.432 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.703 2.429 -0.962 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.173 1.761 -0.890 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.536 0.501 -0.265 1.00 0.00 C ATOM 1058 C LYS A 74 -4.522 -0.573 -0.667 1.00 0.00 C ATOM 1059 O LYS A 74 -4.314 -0.823 -1.854 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.984 0.135 -0.599 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.931 0.575 0.519 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.871 2.090 0.724 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.259 2.718 0.584 1.00 0.00 C ATOM 1064 NZ LYS A 74 -10.192 2.142 1.578 1.00 0.00 N ATOM 0 H LYS A 74 -5.370 1.814 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.496 0.588 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.276 0.609 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.066 -0.942 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.951 0.278 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.665 0.068 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.466 2.311 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.193 2.533 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.192 3.797 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.641 2.549 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.988 1.688 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.693 1.434 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.552 2.898 2.195 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.919 -1.180 0.344 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.933 -2.221 0.112 1.00 0.00 C ATOM 1080 C ALA A 75 -3.419 -3.528 0.741 1.00 0.00 C ATOM 1081 O ALA A 75 -3.342 -3.702 1.957 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.578 -1.775 0.666 1.00 0.00 C ATOM 0 H ALA A 75 -4.094 -0.971 1.327 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.806 -2.397 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.839 -2.557 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.263 -0.860 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.666 -1.591 1.737 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.908 -4.414 -0.114 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.406 -5.700 0.343 1.00 0.00 C ATOM 1090 C LYS A 76 -3.396 -6.791 -0.018 1.00 0.00 C ATOM 1091 O LYS A 76 -2.921 -6.852 -1.151 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.811 -5.956 -0.206 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.872 -5.278 0.663 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.225 -5.977 0.521 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.150 -5.624 1.688 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.152 -4.618 1.269 1.00 0.00 N ATOM 0 H LYS A 76 -3.970 -4.266 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.507 -5.706 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.880 -5.582 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.000 -7.029 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.558 -5.295 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.968 -4.231 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.692 -5.685 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.078 -7.056 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.655 -6.522 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.563 -5.236 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.772 -4.390 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.666 -3.756 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.723 -5.001 0.489 1.00 0.00 H new ATOM 1110 N ILE A 77 -3.098 -7.625 0.967 1.00 0.00 N ATOM 1111 CA ILE A 77 -2.153 -8.711 0.768 1.00 0.00 C ATOM 1112 C ILE A 77 -2.920 -10.023 0.593 1.00 0.00 C ATOM 1113 O ILE A 77 -3.940 -10.242 1.245 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.127 -8.744 1.903 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.471 -7.375 2.090 1.00 0.00 C ATOM 1116 CG2 ILE A 77 -0.093 -9.849 1.676 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.126 -6.605 3.239 1.00 0.00 C ATOM 0 H ILE A 77 -3.494 -7.571 1.905 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.578 -8.553 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.651 -8.979 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.592 -7.502 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.554 -6.799 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.624 -9.850 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.596 -10.815 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.431 -9.670 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.641 -5.635 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.184 -6.458 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.020 -7.172 4.164 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.399 -10.863 -0.290 1.00 0.00 N ATOM 1130 CA PHE A 78 -3.022 -12.148 -0.558 1.00 0.00 C ATOM 1131 C PHE A 78 -1.967 -13.228 -0.805 1.00 0.00 C ATOM 1132 O PHE A 78 -0.816 -13.081 -0.396 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.867 -11.980 -1.823 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.934 -10.888 -1.717 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -4.620 -9.599 -2.016 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -6.196 -11.207 -1.324 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -5.611 -8.586 -1.918 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -7.187 -10.194 -1.226 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.873 -8.905 -1.525 1.00 0.00 C ATOM 0 H PHE A 78 -1.553 -10.679 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.625 -12.455 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.208 -11.750 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.353 -12.928 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.618 -9.346 -2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.445 -12.231 -1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.362 -7.562 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.189 -10.447 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.626 -8.135 -1.450 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.396 -14.289 -1.472 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.503 -15.393 -1.778 1.00 0.00 C ATOM 1151 C ASP A 79 -1.514 -15.650 -3.286 1.00 0.00 C ATOM 1152 O ASP A 79 -2.575 -15.841 -3.879 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.953 -16.676 -1.077 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.842 -17.695 -0.816 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.231 -17.536 -1.438 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.090 -18.609 -0.001 1.00 0.00 O ATOM 0 H ASP A 79 -3.351 -14.407 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.505 -15.124 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.412 -16.410 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.726 -17.151 -1.682 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.322 -15.646 -3.864 1.00 0.00 N ATOM 1162 CA LYS A 80 -0.181 -15.876 -5.292 1.00 0.00 C ATOM 1163 C LYS A 80 -1.150 -16.977 -5.724 1.00 0.00 C ATOM 1164 O LYS A 80 -1.611 -16.991 -6.865 1.00 0.00 O ATOM 1165 CB LYS A 80 1.279 -16.167 -5.646 1.00 0.00 C ATOM 1166 CG LYS A 80 1.505 -17.667 -5.846 1.00 0.00 C ATOM 1167 CD LYS A 80 2.968 -17.960 -6.188 1.00 0.00 C ATOM 1168 CE LYS A 80 3.108 -18.428 -7.638 1.00 0.00 C ATOM 1169 NZ LYS A 80 3.890 -17.449 -8.426 1.00 0.00 N ATOM 0 H LYS A 80 0.556 -15.487 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.447 -14.979 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.551 -15.630 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.930 -15.800 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.225 -18.205 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.861 -18.032 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.568 -17.064 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.356 -18.725 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.598 -19.401 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.121 -18.555 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.975 -17.782 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.407 -16.528 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.838 -17.348 -8.011 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.432 -17.874 -4.791 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.338 -18.977 -5.061 1.00 0.00 C ATOM 1185 C ASP A 81 -3.765 -18.439 -5.187 1.00 0.00 C ATOM 1186 O ASP A 81 -4.436 -18.675 -6.191 1.00 0.00 O ATOM 1187 CB ASP A 81 -2.317 -20.000 -3.924 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.891 -21.373 -4.278 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -2.436 -21.932 -5.299 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -3.771 -21.833 -3.520 1.00 0.00 O ATOM 0 H ASP A 81 -1.048 -17.859 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.016 -19.459 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.287 -20.129 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.877 -19.595 -3.081 1.00 0.00 H new ATOM 1195 N VAL A 82 -4.188 -17.726 -4.153 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.523 -17.153 -4.135 1.00 0.00 C ATOM 1197 C VAL A 82 -5.608 -16.036 -5.176 1.00 0.00 C ATOM 1198 O VAL A 82 -4.765 -15.948 -6.068 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.870 -16.681 -2.722 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -5.312 -17.641 -1.670 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -5.371 -15.254 -2.482 1.00 0.00 C ATOM 0 H VAL A 82 -3.629 -17.532 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.265 -17.905 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.956 -16.676 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.573 -17.282 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.737 -18.633 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.227 -17.693 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.631 -14.943 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.288 -15.222 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.838 -14.580 -3.200 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.634 -15.210 -5.029 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.840 -14.102 -5.947 1.00 0.00 C ATOM 1213 C GLY A 83 -7.310 -12.852 -5.200 1.00 0.00 C ATOM 1214 O GLY A 83 -7.895 -12.952 -4.122 1.00 0.00 O ATOM 0 H GLY A 83 -7.331 -15.286 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.912 -13.886 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.579 -14.380 -6.699 1.00 0.00 H new ATOM 1218 N THR A 84 -7.037 -11.704 -5.802 1.00 0.00 N ATOM 1219 CA THR A 84 -7.425 -10.436 -5.207 1.00 0.00 C ATOM 1220 C THR A 84 -8.818 -10.544 -4.584 1.00 0.00 C ATOM 1221 O THR A 84 -9.126 -9.845 -3.620 1.00 0.00 O ATOM 1222 CB THR A 84 -7.324 -9.357 -6.287 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.874 -9.974 -7.448 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.876 -9.053 -6.677 1.00 0.00 C ATOM 0 H THR A 84 -6.552 -11.625 -6.696 1.00 0.00 H new ATOM 0 HA THR A 84 -6.758 -10.161 -4.390 1.00 0.00 H new ATOM 0 HB THR A 84 -7.804 -8.444 -5.934 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.849 -9.342 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.861 -8.281 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.329 -8.703 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.405 -9.958 -7.062 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.623 -11.425 -5.160 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.976 -11.632 -4.673 1.00 0.00 C ATOM 1234 C GLU A 85 -11.136 -13.058 -4.141 1.00 0.00 C ATOM 1235 O GLU A 85 -11.624 -13.937 -4.849 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.004 -11.337 -5.767 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.824 -9.921 -6.320 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.929 -9.580 -7.322 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -13.980 -10.254 -7.260 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.697 -8.653 -8.128 1.00 0.00 O ATOM 0 H GLU A 85 -9.364 -12.003 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.157 -10.936 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.900 -12.062 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.011 -11.449 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.836 -9.202 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.851 -9.836 -6.803 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.714 -13.243 -2.899 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.804 -14.547 -2.265 1.00 0.00 C ATOM 1249 C ASP A 86 -10.549 -14.398 -0.763 1.00 0.00 C ATOM 1250 O ASP A 86 -11.463 -14.556 0.044 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.756 -15.508 -2.829 1.00 0.00 C ATOM 1252 CG ASP A 86 -10.311 -16.834 -3.355 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -11.515 -16.853 -3.688 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.517 -17.798 -3.411 1.00 0.00 O ATOM 0 H ASP A 86 -10.309 -12.512 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.800 -14.947 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.224 -15.008 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.024 -15.721 -2.050 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.302 -14.095 -0.435 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.915 -13.923 0.955 1.00 0.00 C ATOM 1261 C ASP A 87 -7.545 -13.245 1.018 1.00 0.00 C ATOM 1262 O ASP A 87 -6.544 -13.817 0.587 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.808 -15.272 1.668 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.966 -15.597 2.614 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.910 -15.116 3.766 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.880 -16.320 2.163 1.00 0.00 O ATOM 0 H ASP A 87 -8.546 -13.964 -1.108 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.677 -13.316 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.741 -16.059 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.878 -15.293 2.236 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.543 -12.035 1.559 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.312 -11.273 1.684 1.00 0.00 C ATOM 1273 C ALA A 88 -5.702 -11.520 3.065 1.00 0.00 C ATOM 1274 O ALA A 88 -6.313 -11.199 4.083 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.600 -9.792 1.430 1.00 0.00 C ATOM 0 H ALA A 88 -8.374 -11.564 1.916 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.584 -11.596 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.677 -9.220 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.004 -9.667 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.325 -9.432 2.160 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.505 -12.089 3.055 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.806 -12.383 4.295 1.00 0.00 C ATOM 1283 C VAL A 89 -3.950 -11.196 5.250 1.00 0.00 C ATOM 1284 O VAL A 89 -3.916 -11.367 6.467 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.348 -12.741 4.001 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.201 -14.234 3.700 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.796 -11.893 2.854 1.00 0.00 C ATOM 0 H VAL A 89 -4.002 -12.354 2.208 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.247 -13.250 4.786 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.762 -12.520 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.155 -14.462 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.537 -14.813 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.806 -14.491 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.758 -12.167 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.387 -12.068 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.849 -10.838 3.123 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.106 -10.019 4.661 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.254 -8.804 5.444 1.00 0.00 C ATOM 1299 C GLY A 90 -4.331 -7.574 4.538 1.00 0.00 C ATOM 1300 O GLY A 90 -4.237 -7.691 3.318 1.00 0.00 O ATOM 0 H GLY A 90 -4.133 -9.881 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.155 -8.868 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.412 -8.704 6.129 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.500 -6.422 5.171 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.590 -5.171 4.438 1.00 0.00 C ATOM 1306 C GLU A 91 -4.029 -4.022 5.277 1.00 0.00 C ATOM 1307 O GLU A 91 -3.638 -4.221 6.426 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.033 -4.887 4.014 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.861 -4.379 5.196 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.125 -2.876 5.075 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.317 -2.424 3.926 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -7.128 -2.214 6.135 1.00 0.00 O ATOM 0 H GLU A 91 -4.577 -6.329 6.184 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.990 -5.259 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.042 -4.147 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.484 -5.795 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.809 -4.916 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.335 -4.586 6.128 1.00 0.00 H new ATOM 1319 N ALA A 92 -4.007 -2.844 4.671 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.500 -1.663 5.348 1.00 0.00 C ATOM 1321 C ALA A 92 -4.008 -0.411 4.630 1.00 0.00 C ATOM 1322 O ALA A 92 -4.093 -0.386 3.404 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.972 -1.723 5.405 1.00 0.00 C ATOM 0 H ALA A 92 -4.332 -2.682 3.718 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.863 -1.624 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.592 -0.837 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.663 -2.615 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.571 -1.760 4.392 1.00 0.00 H new ATOM 1329 N THR A 93 -4.332 0.598 5.426 1.00 0.00 N ATOM 1330 CA THR A 93 -4.829 1.850 4.882 1.00 0.00 C ATOM 1331 C THR A 93 -3.710 2.892 4.833 1.00 0.00 C ATOM 1332 O THR A 93 -3.205 3.315 5.871 1.00 0.00 O ATOM 1333 CB THR A 93 -6.030 2.287 5.723 1.00 0.00 C ATOM 1334 OG1 THR A 93 -7.037 1.326 5.416 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.625 3.614 5.249 1.00 0.00 C ATOM 0 H THR A 93 -4.260 0.574 6.443 1.00 0.00 H new ATOM 0 HA THR A 93 -5.162 1.729 3.851 1.00 0.00 H new ATOM 0 HB THR A 93 -5.729 2.377 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.851 1.533 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.474 3.878 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.868 4.396 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.957 3.515 4.216 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.356 3.276 3.615 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.306 4.260 3.417 1.00 0.00 C ATOM 1345 C ILE A 94 -2.928 5.574 2.941 1.00 0.00 C ATOM 1346 O ILE A 94 -3.248 5.723 1.763 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.229 3.714 2.477 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.588 2.450 3.054 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.188 4.787 2.152 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.578 1.320 2.022 1.00 0.00 C ATOM 0 H ILE A 94 -3.778 2.923 2.756 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.798 4.469 4.359 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.706 3.434 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.432 2.667 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.136 2.132 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.565 4.372 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.676 5.633 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.290 5.121 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.117 0.433 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.601 1.089 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.009 1.632 1.146 1.00 0.00 H new ATOM 1362 N PRO A 95 -3.085 6.519 3.907 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.663 7.816 3.598 1.00 0.00 C ATOM 1364 C PRO A 95 -2.662 8.698 2.850 1.00 0.00 C ATOM 1365 O PRO A 95 -1.487 8.751 3.207 1.00 0.00 O ATOM 1366 CB PRO A 95 -4.074 8.393 4.943 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.295 7.611 5.988 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.717 6.378 5.313 1.00 0.00 C ATOM 0 HA PRO A 95 -4.521 7.746 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.843 9.457 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.148 8.292 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.498 8.225 6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.946 7.324 6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.635 6.329 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.128 5.463 5.740 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.166 9.369 1.824 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.331 10.247 1.021 1.00 0.00 C ATOM 1378 C LEU A 96 -2.484 11.685 1.519 1.00 0.00 C ATOM 1379 O LEU A 96 -1.953 12.615 0.914 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.645 10.074 -0.466 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.700 8.632 -0.977 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.269 8.575 -2.395 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.326 7.965 -0.883 1.00 0.00 C ATOM 0 H LEU A 96 -4.142 9.322 1.530 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.280 9.981 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.605 10.548 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.893 10.614 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.377 8.067 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.297 7.540 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.279 8.986 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.637 9.159 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.392 6.942 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.609 8.522 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.997 7.955 0.156 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.213 11.823 2.617 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.443 13.133 3.203 1.00 0.00 C ATOM 1397 C GLU A 97 -2.119 13.753 3.653 1.00 0.00 C ATOM 1398 O GLU A 97 -1.903 14.952 3.488 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.432 13.047 4.367 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.578 14.044 4.187 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.469 14.086 5.431 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.897 14.233 6.533 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.700 13.971 5.252 1.00 0.00 O ATOM 0 H GLU A 97 -3.652 11.049 3.116 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.883 13.778 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.832 12.035 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.914 13.248 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.173 15.037 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.174 13.766 3.318 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.244 12.885 4.229 1.00 0.00 N ATOM 1411 CA PRO A 98 0.053 13.335 4.704 1.00 0.00 C ATOM 1412 C PRO A 98 1.010 13.579 3.536 1.00 0.00 C ATOM 1413 O PRO A 98 1.912 14.410 3.632 1.00 0.00 O ATOM 1414 CB PRO A 98 0.529 12.238 5.643 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.297 11.009 5.302 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.466 11.457 4.441 1.00 0.00 C ATOM 0 HA PRO A 98 0.003 14.292 5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.593 12.043 5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.387 12.527 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.310 10.277 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.656 10.526 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.492 10.916 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.418 11.274 4.939 1.00 0.00 H new ATOM 1424 N VAL A 99 0.782 12.840 2.461 1.00 0.00 N ATOM 1425 CA VAL A 99 1.613 12.967 1.275 1.00 0.00 C ATOM 1426 C VAL A 99 1.110 14.137 0.427 1.00 0.00 C ATOM 1427 O VAL A 99 1.772 14.547 -0.525 1.00 0.00 O ATOM 1428 CB VAL A 99 1.638 11.642 0.511 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.488 11.567 -0.496 1.00 0.00 C ATOM 1430 CG2 VAL A 99 2.987 11.434 -0.182 1.00 0.00 C ATOM 0 H VAL A 99 0.034 12.151 2.386 1.00 0.00 H new ATOM 0 HA VAL A 99 2.644 13.187 1.552 1.00 0.00 H new ATOM 0 HB VAL A 99 1.504 10.837 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.529 10.615 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.463 11.648 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.577 12.384 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.978 10.485 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.163 12.247 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.781 11.422 0.564 1.00 0.00 H new ATOM 1440 N PHE A 100 -0.056 14.641 0.804 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.655 15.756 0.090 1.00 0.00 C ATOM 1442 C PHE A 100 -0.249 17.091 0.718 1.00 0.00 C ATOM 1443 O PHE A 100 -0.074 18.084 0.014 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.172 15.594 0.201 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.739 14.448 -0.640 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.915 13.720 -1.440 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -4.067 14.158 -0.587 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.441 12.656 -2.220 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.593 13.095 -1.368 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.769 12.366 -2.168 1.00 0.00 C ATOM 0 H PHE A 100 -0.602 14.298 1.594 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.320 15.757 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.434 15.428 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.650 16.525 -0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.861 13.951 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.721 14.736 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.786 12.077 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.647 12.865 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.169 11.557 -2.762 1.00 0.00 H new ATOM 1460 N VAL A 101 -0.111 17.071 2.036 1.00 0.00 N ATOM 1461 CA VAL A 101 0.271 18.267 2.766 1.00 0.00 C ATOM 1462 C VAL A 101 1.797 18.346 2.845 1.00 0.00 C ATOM 1463 O VAL A 101 2.370 19.434 2.796 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.399 18.277 4.142 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.851 17.804 4.047 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.389 17.429 5.142 1.00 0.00 C ATOM 0 H VAL A 101 -0.257 16.245 2.617 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.075 19.159 2.244 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.404 19.305 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.305 17.820 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.407 18.466 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.878 16.788 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.109 17.453 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.440 16.400 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.398 17.829 5.242 1.00 0.00 H new ATOM 1476 N GLU A 102 2.413 17.179 2.965 1.00 0.00 N ATOM 1477 CA GLU A 102 3.861 17.102 3.051 1.00 0.00 C ATOM 1478 C GLU A 102 4.475 17.062 1.650 1.00 0.00 C ATOM 1479 O GLU A 102 5.597 17.522 1.446 1.00 0.00 O ATOM 1480 CB GLU A 102 4.298 15.890 3.876 1.00 0.00 C ATOM 1481 CG GLU A 102 3.673 15.922 5.272 1.00 0.00 C ATOM 1482 CD GLU A 102 4.667 16.454 6.306 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.864 16.127 6.163 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.206 17.177 7.216 1.00 0.00 O ATOM 0 H GLU A 102 1.935 16.279 3.005 1.00 0.00 H new ATOM 0 HA GLU A 102 4.223 17.996 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.006 14.973 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.385 15.876 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.783 16.551 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.352 14.919 5.554 1.00 0.00 H new ATOM 1491 N GLY A 103 3.711 16.508 0.720 1.00 0.00 N ATOM 1492 CA GLY A 103 4.165 16.402 -0.656 1.00 0.00 C ATOM 1493 C GLY A 103 5.116 15.216 -0.830 1.00 0.00 C ATOM 1494 O GLY A 103 5.484 14.869 -1.951 1.00 0.00 O ATOM 0 H GLY A 103 2.780 16.128 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.307 16.285 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.669 17.323 -0.948 1.00 0.00 H new ATOM 1498 N SER A 104 5.488 14.627 0.298 1.00 0.00 N ATOM 1499 CA SER A 104 6.390 13.488 0.284 1.00 0.00 C ATOM 1500 C SER A 104 6.426 12.833 1.667 1.00 0.00 C ATOM 1501 O SER A 104 6.596 13.515 2.676 1.00 0.00 O ATOM 1502 CB SER A 104 7.799 13.905 -0.142 1.00 0.00 C ATOM 1503 OG SER A 104 8.435 14.718 0.839 1.00 0.00 O ATOM 0 H SER A 104 5.181 14.917 1.226 1.00 0.00 H new ATOM 0 HA SER A 104 6.019 12.767 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.402 13.015 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.746 14.449 -1.085 1.00 0.00 H new ATOM 0 HG SER A 104 7.950 14.646 1.688 1.00 0.00 H new ATOM 1509 N ILE A 105 6.263 11.518 1.668 1.00 0.00 N ATOM 1510 CA ILE A 105 6.275 10.764 2.910 1.00 0.00 C ATOM 1511 C ILE A 105 7.326 9.655 2.818 1.00 0.00 C ATOM 1512 O ILE A 105 7.438 8.984 1.793 1.00 0.00 O ATOM 1513 CB ILE A 105 4.871 10.254 3.241 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.867 11.407 3.291 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.874 9.440 4.536 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.056 12.245 4.557 1.00 0.00 C ATOM 0 H ILE A 105 6.122 10.956 0.829 1.00 0.00 H new ATOM 0 HA ILE A 105 6.560 11.407 3.743 1.00 0.00 H new ATOM 0 HB ILE A 105 4.553 9.585 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.989 12.039 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.852 11.011 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.864 9.090 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.539 8.584 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.221 10.066 5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.330 13.058 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.909 11.616 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.064 12.659 4.572 1.00 0.00 H new ATOM 1528 N PRO A 106 8.089 9.494 3.932 1.00 0.00 N ATOM 1529 CA PRO A 106 9.127 8.478 3.987 1.00 0.00 C ATOM 1530 C PRO A 106 8.521 7.084 4.158 1.00 0.00 C ATOM 1531 O PRO A 106 7.313 6.946 4.342 1.00 0.00 O ATOM 1532 CB PRO A 106 10.015 8.886 5.151 1.00 0.00 C ATOM 1533 CG PRO A 106 9.188 9.845 5.991 1.00 0.00 C ATOM 1534 CD PRO A 106 7.985 10.270 5.164 1.00 0.00 C ATOM 0 HA PRO A 106 9.705 8.416 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.317 8.017 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.928 9.365 4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.866 9.363 6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.782 10.714 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.052 10.060 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.003 11.341 4.960 1.00 0.00 H new ATOM 1542 N PRO A 107 9.411 6.058 4.088 1.00 0.00 N ATOM 1543 CA PRO A 107 8.977 4.679 4.232 1.00 0.00 C ATOM 1544 C PRO A 107 8.663 4.353 5.694 1.00 0.00 C ATOM 1545 O PRO A 107 9.565 4.297 6.528 1.00 0.00 O ATOM 1546 CB PRO A 107 10.117 3.846 3.670 1.00 0.00 C ATOM 1547 CG PRO A 107 11.334 4.758 3.660 1.00 0.00 C ATOM 1548 CD PRO A 107 10.850 6.183 3.870 1.00 0.00 C ATOM 0 HA PRO A 107 8.050 4.472 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.295 2.963 4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.885 3.494 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.032 4.472 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.868 4.672 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.341 6.646 4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.066 6.807 3.003 1.00 0.00 H new ATOM 1556 N THR A 108 7.382 4.147 5.959 1.00 0.00 N ATOM 1557 CA THR A 108 6.938 3.828 7.306 1.00 0.00 C ATOM 1558 C THR A 108 6.140 2.523 7.309 1.00 0.00 C ATOM 1559 O THR A 108 5.614 2.110 6.276 1.00 0.00 O ATOM 1560 CB THR A 108 6.148 5.025 7.839 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.082 5.717 8.663 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.035 4.610 8.803 1.00 0.00 C ATOM 0 H THR A 108 6.637 4.195 5.264 1.00 0.00 H new ATOM 0 HA THR A 108 7.784 3.656 7.971 1.00 0.00 H new ATOM 0 HB THR A 108 5.717 5.577 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.654 6.509 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.506 5.497 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.337 3.949 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.468 4.088 9.656 1.00 0.00 H new ATOM 1570 N ALA A 109 6.073 1.910 8.482 1.00 0.00 N ATOM 1571 CA ALA A 109 5.348 0.661 8.633 1.00 0.00 C ATOM 1572 C ALA A 109 3.892 0.962 8.995 1.00 0.00 C ATOM 1573 O ALA A 109 3.609 1.460 10.084 1.00 0.00 O ATOM 1574 CB ALA A 109 6.042 -0.209 9.684 1.00 0.00 C ATOM 0 H ALA A 109 6.509 2.256 9.337 1.00 0.00 H new ATOM 0 HA ALA A 109 5.347 0.103 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.498 -1.147 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.063 -0.419 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.060 0.318 10.638 1.00 0.00 H new ATOM 1580 N TYR A 110 3.006 0.647 8.062 1.00 0.00 N ATOM 1581 CA TYR A 110 1.586 0.878 8.269 1.00 0.00 C ATOM 1582 C TYR A 110 0.923 -0.337 8.922 1.00 0.00 C ATOM 1583 O TYR A 110 1.178 -1.474 8.529 1.00 0.00 O ATOM 1584 CB TYR A 110 0.986 1.085 6.877 1.00 0.00 C ATOM 1585 CG TYR A 110 1.418 2.387 6.200 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.738 3.559 6.461 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.488 2.389 5.329 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.145 4.785 5.824 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.896 3.615 4.692 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.204 4.752 4.971 1.00 0.00 C ATOM 1591 OH TYR A 110 2.588 5.910 4.369 1.00 0.00 O ATOM 0 H TYR A 110 3.244 0.234 7.160 1.00 0.00 H new ATOM 0 HA TYR A 110 1.427 1.734 8.924 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.270 0.246 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.101 1.072 6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.099 3.557 7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.020 1.471 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.621 5.709 6.019 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.732 3.631 4.009 1.00 0.00 H new ATOM 0 HH TYR A 110 3.517 5.830 4.069 1.00 0.00 H new ATOM 1601 N ASN A 111 0.085 -0.054 9.908 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.617 -1.109 10.619 1.00 0.00 C ATOM 1603 C ASN A 111 -1.359 -1.990 9.613 1.00 0.00 C ATOM 1604 O ASN A 111 -2.163 -1.496 8.824 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.648 -0.528 11.589 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.060 0.646 12.375 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.021 1.136 12.094 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.830 1.068 13.374 1.00 0.00 N ATOM 0 H ASN A 111 -0.124 0.891 10.231 1.00 0.00 H new ATOM 0 HA ASN A 111 0.119 -1.686 11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.527 -0.196 11.036 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.980 -1.303 12.280 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.526 1.847 13.959 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.725 0.613 13.555 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.064 -3.280 9.673 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.693 -4.235 8.777 1.00 0.00 C ATOM 1617 C VAL A 112 -2.661 -5.114 9.572 1.00 0.00 C ATOM 1618 O VAL A 112 -2.237 -5.907 10.411 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.624 -5.042 8.037 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.244 -6.235 7.308 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.160 -4.154 7.068 1.00 0.00 C ATOM 0 H VAL A 112 -0.397 -3.687 10.329 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.275 -3.716 8.015 1.00 0.00 H new ATOM 0 HB VAL A 112 0.076 -5.429 8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.463 -6.791 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.736 -6.887 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.976 -5.878 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.913 -4.752 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.523 -3.724 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.649 -3.353 7.623 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.942 -4.942 9.281 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.973 -5.709 9.958 1.00 0.00 C ATOM 1633 C VAL A 113 -5.623 -6.672 8.963 1.00 0.00 C ATOM 1634 O VAL A 113 -5.350 -6.611 7.765 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.978 -4.765 10.620 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.655 -4.570 12.102 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.031 -3.421 9.889 1.00 0.00 C ATOM 0 H VAL A 113 -4.289 -4.282 8.585 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.539 -6.311 10.756 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.964 -5.224 10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.385 -3.894 12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.692 -5.532 12.612 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.657 -4.144 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.753 -2.768 10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.046 -2.955 9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.332 -3.582 8.854 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.470 -7.540 9.495 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.161 -8.515 8.669 1.00 0.00 C ATOM 1649 C LYS A 114 -8.555 -8.770 9.245 1.00 0.00 C ATOM 1650 O LYS A 114 -8.733 -9.654 10.082 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.318 -9.783 8.517 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.168 -10.949 8.009 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.846 -10.598 6.683 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.620 -11.796 6.129 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.464 -11.383 4.986 1.00 0.00 N ATOM 0 H LYS A 114 -6.694 -7.589 10.489 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.299 -8.128 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.497 -9.597 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.872 -10.045 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.541 -11.831 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.924 -11.203 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.525 -9.758 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.095 -10.279 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.923 -12.572 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.243 -12.227 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.808 -12.227 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.275 -10.832 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.903 -10.799 4.334 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.509 -7.979 8.775 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.882 -8.107 9.234 1.00 0.00 C ATOM 1671 C ASP A 115 -11.043 -7.365 10.562 1.00 0.00 C ATOM 1672 O ASP A 115 -12.153 -6.992 10.938 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.250 -9.574 9.464 1.00 0.00 C ATOM 1674 CG ASP A 115 -11.188 -10.460 8.218 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -11.485 -9.926 7.127 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -10.844 -11.650 8.384 1.00 0.00 O ATOM 0 H ASP A 115 -9.358 -7.247 8.081 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.534 -7.687 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.580 -9.987 10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -12.259 -9.620 9.874 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.918 -7.174 11.236 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.921 -6.483 12.515 1.00 0.00 C ATOM 1683 C GLU A 116 -8.685 -6.870 13.329 1.00 0.00 C ATOM 1684 O GLU A 116 -8.285 -6.145 14.239 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.205 -6.776 13.294 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.600 -8.249 13.166 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.754 -8.897 14.543 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.732 -9.413 15.045 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.890 -8.861 15.063 1.00 0.00 O ATOM 0 H GLU A 116 -8.999 -7.485 10.921 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.887 -5.410 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.063 -6.524 14.345 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.012 -6.146 12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.537 -8.331 12.615 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.844 -8.783 12.591 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.114 -8.011 12.973 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.932 -8.503 13.660 1.00 0.00 C ATOM 1698 C GLU A 117 -5.669 -7.906 13.036 1.00 0.00 C ATOM 1699 O GLU A 117 -5.558 -7.819 11.814 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.883 -10.032 13.641 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.751 -10.622 14.754 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.685 -11.703 14.206 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -9.779 -11.323 13.734 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -8.285 -12.885 14.271 1.00 0.00 O ATOM 0 H GLU A 117 -8.448 -8.609 12.217 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.983 -8.187 14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.227 -10.398 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.853 -10.368 13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.114 -11.046 15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.338 -9.831 15.220 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.749 -7.511 13.903 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.498 -6.925 13.452 1.00 0.00 C ATOM 1713 C TYR A 118 -2.533 -8.005 12.959 1.00 0.00 C ATOM 1714 O TYR A 118 -1.898 -8.688 13.762 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.891 -6.234 14.675 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.625 -5.431 14.371 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.703 -4.280 13.613 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.404 -5.857 14.855 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.512 -3.524 13.328 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.787 -5.100 14.569 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.675 -3.971 13.819 1.00 0.00 C ATOM 1722 OH TYR A 118 1.800 -3.257 13.549 1.00 0.00 O ATOM 0 H TYR A 118 -4.845 -7.585 14.916 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.673 -6.235 12.626 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.636 -5.568 15.110 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.659 -6.988 15.428 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.658 -3.947 13.234 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.342 -6.758 15.448 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.560 -2.621 12.737 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.748 -5.422 14.942 1.00 0.00 H new ATOM 0 HH TYR A 118 2.572 -3.694 13.964 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.453 -8.126 11.642 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.575 -9.111 11.033 1.00 0.00 C ATOM 1734 C LYS A 119 -0.119 -8.712 11.279 1.00 0.00 C ATOM 1735 O LYS A 119 0.716 -9.559 11.591 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.922 -9.295 9.554 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.367 -9.767 9.384 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.593 -11.106 10.090 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.285 -10.904 11.439 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.139 -12.112 12.282 1.00 0.00 N ATOM 0 H LYS A 119 -2.982 -7.558 10.980 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.719 -10.088 11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.778 -8.354 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.244 -10.021 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.048 -9.019 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.598 -9.867 8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.200 -11.756 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.637 -11.609 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.855 -10.043 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.342 -10.687 11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.918 -12.152 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.164 -12.960 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.232 -12.074 12.789 1.00 0.00 H new ATOM 1754 N GLY A 120 0.141 -7.421 11.129 1.00 0.00 N ATOM 1755 CA GLY A 120 1.482 -6.900 11.331 1.00 0.00 C ATOM 1756 C GLY A 120 1.580 -5.445 10.866 1.00 0.00 C ATOM 1757 O GLY A 120 0.754 -4.614 11.239 1.00 0.00 O ATOM 0 H GLY A 120 -0.554 -6.721 10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.747 -6.967 12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.200 -7.510 10.783 1.00 0.00 H new ATOM 1761 N GLU A 121 2.598 -5.183 10.059 1.00 0.00 N ATOM 1762 CA GLU A 121 2.815 -3.844 9.540 1.00 0.00 C ATOM 1763 C GLU A 121 3.371 -3.910 8.116 1.00 0.00 C ATOM 1764 O GLU A 121 4.167 -4.792 7.797 1.00 0.00 O ATOM 1765 CB GLU A 121 3.745 -3.045 10.455 1.00 0.00 C ATOM 1766 CG GLU A 121 4.997 -3.852 10.805 1.00 0.00 C ATOM 1767 CD GLU A 121 5.660 -3.313 12.074 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.204 -3.714 13.167 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.608 -2.513 11.923 1.00 0.00 O ATOM 0 H GLU A 121 3.281 -5.875 9.752 1.00 0.00 H new ATOM 0 HA GLU A 121 1.856 -3.327 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.033 -2.115 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.216 -2.773 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.731 -4.900 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.704 -3.812 9.976 1.00 0.00 H new ATOM 1776 N ILE A 122 2.930 -2.966 7.298 1.00 0.00 N ATOM 1777 CA ILE A 122 3.374 -2.906 5.916 1.00 0.00 C ATOM 1778 C ILE A 122 4.188 -1.629 5.701 1.00 0.00 C ATOM 1779 O ILE A 122 3.675 -0.524 5.874 1.00 0.00 O ATOM 1780 CB ILE A 122 2.184 -3.044 4.964 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.653 -3.171 3.513 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.198 -1.889 5.148 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.468 -3.121 2.547 1.00 0.00 C ATOM 0 H ILE A 122 2.270 -2.236 7.566 1.00 0.00 H new ATOM 0 HA ILE A 122 4.032 -3.746 5.691 1.00 0.00 H new ATOM 0 HB ILE A 122 1.654 -3.963 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.350 -2.366 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.194 -4.108 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.362 -2.011 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.827 -1.887 6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.702 -0.944 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.829 -3.213 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.785 -3.942 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.944 -2.172 2.663 1.00 0.00 H new ATOM 1795 N TRP A 123 5.445 -1.822 5.326 1.00 0.00 N ATOM 1796 CA TRP A 123 6.335 -0.699 5.086 1.00 0.00 C ATOM 1797 C TRP A 123 6.005 -0.120 3.709 1.00 0.00 C ATOM 1798 O TRP A 123 6.091 -0.820 2.701 1.00 0.00 O ATOM 1799 CB TRP A 123 7.799 -1.121 5.222 1.00 0.00 C ATOM 1800 CG TRP A 123 8.260 -1.314 6.668 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.901 -2.278 7.527 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.186 -0.478 7.394 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.525 -2.125 8.748 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.331 -0.996 8.665 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.877 0.678 6.991 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.162 -0.424 9.636 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.704 1.237 7.972 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.861 0.728 9.256 1.00 0.00 C ATOM 0 H TRP A 123 5.867 -2.739 5.183 1.00 0.00 H new ATOM 0 HA TRP A 123 6.186 0.078 5.835 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.950 -2.052 4.676 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.429 -0.368 4.748 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.210 -3.074 7.293 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.415 -2.730 9.562 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.778 1.101 6.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.259 -0.848 10.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.259 2.126 7.713 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.519 1.219 9.957 1.00 0.00 H new ATOM 1819 N VAL A 124 5.634 1.152 3.710 1.00 0.00 N ATOM 1820 CA VAL A 124 5.291 1.832 2.473 1.00 0.00 C ATOM 1821 C VAL A 124 5.814 3.269 2.524 1.00 0.00 C ATOM 1822 O VAL A 124 6.171 3.766 3.591 1.00 0.00 O ATOM 1823 CB VAL A 124 3.781 1.754 2.234 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.317 2.869 1.294 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.382 0.380 1.695 1.00 0.00 C ATOM 0 H VAL A 124 5.564 1.729 4.548 1.00 0.00 H new ATOM 0 HA VAL A 124 5.767 1.342 1.624 1.00 0.00 H new ATOM 0 HB VAL A 124 3.282 1.895 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.241 2.791 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.552 3.838 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.828 2.773 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.304 0.351 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.895 0.196 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.662 -0.389 2.415 1.00 0.00 H new ATOM 1835 N ALA A 125 5.844 3.896 1.357 1.00 0.00 N ATOM 1836 CA ALA A 125 6.319 5.265 1.255 1.00 0.00 C ATOM 1837 C ALA A 125 5.649 5.945 0.059 1.00 0.00 C ATOM 1838 O ALA A 125 5.756 5.468 -1.070 1.00 0.00 O ATOM 1839 CB ALA A 125 7.845 5.271 1.150 1.00 0.00 C ATOM 0 H ALA A 125 5.547 3.481 0.474 1.00 0.00 H new ATOM 0 HA ALA A 125 6.053 5.831 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.200 6.299 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.273 4.804 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.151 4.714 0.264 1.00 0.00 H new ATOM 1845 N LEU A 126 4.973 7.047 0.347 1.00 0.00 N ATOM 1846 CA LEU A 126 4.286 7.797 -0.691 1.00 0.00 C ATOM 1847 C LEU A 126 5.025 9.114 -0.936 1.00 0.00 C ATOM 1848 O LEU A 126 5.496 9.751 0.005 1.00 0.00 O ATOM 1849 CB LEU A 126 2.809 7.977 -0.334 1.00 0.00 C ATOM 1850 CG LEU A 126 2.129 6.778 0.329 1.00 0.00 C ATOM 1851 CD1 LEU A 126 2.451 5.482 -0.419 1.00 0.00 C ATOM 1852 CD2 LEU A 126 2.494 6.690 1.812 1.00 0.00 C ATOM 0 H LEU A 126 4.886 7.439 1.285 1.00 0.00 H new ATOM 0 HA LEU A 126 4.297 7.245 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.719 8.835 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.263 8.222 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 126 1.050 6.923 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.955 4.645 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.099 5.558 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.529 5.318 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.997 5.829 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.573 6.580 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.172 7.599 2.321 1.00 0.00 H new ATOM 1864 N SER A 127 5.103 9.485 -2.206 1.00 0.00 N ATOM 1865 CA SER A 127 5.776 10.715 -2.587 1.00 0.00 C ATOM 1866 C SER A 127 4.929 11.481 -3.605 1.00 0.00 C ATOM 1867 O SER A 127 5.091 11.302 -4.811 1.00 0.00 O ATOM 1868 CB SER A 127 7.165 10.428 -3.160 1.00 0.00 C ATOM 1869 OG SER A 127 8.180 10.504 -2.163 1.00 0.00 O ATOM 0 H SER A 127 4.711 8.955 -2.984 1.00 0.00 H new ATOM 0 HA SER A 127 5.901 11.327 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.173 9.436 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.384 11.141 -3.955 1.00 0.00 H new ATOM 0 HG SER A 127 9.052 10.313 -2.568 1.00 0.00 H new ATOM 1875 N PHE A 128 4.045 12.318 -3.082 1.00 0.00 N ATOM 1876 CA PHE A 128 3.173 13.112 -3.931 1.00 0.00 C ATOM 1877 C PHE A 128 3.981 14.093 -4.782 1.00 0.00 C ATOM 1878 O PHE A 128 5.126 14.406 -4.458 1.00 0.00 O ATOM 1879 CB PHE A 128 2.247 13.902 -3.005 1.00 0.00 C ATOM 1880 CG PHE A 128 1.111 14.626 -3.731 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.265 13.929 -4.536 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.947 15.966 -3.571 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.789 14.601 -5.210 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.107 16.638 -4.245 1.00 0.00 C ATOM 1885 CZ PHE A 128 -0.952 15.941 -5.050 1.00 0.00 C ATOM 0 H PHE A 128 3.914 12.464 -2.081 1.00 0.00 H new ATOM 0 HA PHE A 128 2.616 12.461 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.819 13.221 -2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.838 14.634 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.395 12.864 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.618 16.520 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.461 14.048 -5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.237 17.703 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.753 16.452 -5.563 1.00 0.00 H new ATOM 1895 N LYS A 129 3.354 14.550 -5.856 1.00 0.00 N ATOM 1896 CA LYS A 129 4.001 15.489 -6.757 1.00 0.00 C ATOM 1897 C LYS A 129 2.966 16.492 -7.270 1.00 0.00 C ATOM 1898 O LYS A 129 2.348 16.274 -8.311 1.00 0.00 O ATOM 1899 CB LYS A 129 4.738 14.743 -7.870 1.00 0.00 C ATOM 1900 CG LYS A 129 6.005 14.071 -7.335 1.00 0.00 C ATOM 1901 CD LYS A 129 6.630 13.158 -8.391 1.00 0.00 C ATOM 1902 CE LYS A 129 7.164 11.872 -7.758 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.299 11.340 -8.544 1.00 0.00 N ATOM 0 H LYS A 129 2.405 14.288 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 129 4.764 16.060 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 129 4.080 13.991 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.000 15.439 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.725 14.832 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.765 13.491 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.887 12.913 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.441 13.683 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.483 12.069 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.369 11.128 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.562 10.401 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.022 11.261 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 9.112 11.983 -8.459 1.00 0.00 H new ATOM 1917 N PRO A 130 2.804 17.599 -6.496 1.00 0.00 N ATOM 1918 CA PRO A 130 1.855 18.636 -6.861 1.00 0.00 C ATOM 1919 C PRO A 130 2.386 19.482 -8.020 1.00 0.00 C ATOM 1920 O PRO A 130 3.577 19.785 -8.077 1.00 0.00 O ATOM 1921 CB PRO A 130 1.640 19.439 -5.589 1.00 0.00 C ATOM 1922 CG PRO A 130 2.820 19.114 -4.687 1.00 0.00 C ATOM 1923 CD PRO A 130 3.519 17.890 -5.256 1.00 0.00 C ATOM 0 HA PRO A 130 0.910 18.232 -7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.595 20.507 -5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.698 19.170 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.508 19.958 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.481 18.921 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.574 18.088 -5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.471 17.049 -4.564 1.00 0.00 H new ATOM 1931 N SER A 131 1.477 19.840 -8.915 1.00 0.00 N ATOM 1932 CA SER A 131 1.839 20.645 -10.069 1.00 0.00 C ATOM 1933 C SER A 131 1.912 22.122 -9.674 1.00 0.00 C ATOM 1934 O SER A 131 1.256 22.964 -10.285 1.00 0.00 O ATOM 1935 CB SER A 131 0.841 20.450 -11.212 1.00 0.00 C ATOM 1936 OG SER A 131 0.754 19.086 -11.617 1.00 0.00 O ATOM 0 H SER A 131 0.490 19.587 -8.864 1.00 0.00 H new ATOM 0 HA SER A 131 2.819 20.320 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.143 20.799 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.140 21.063 -12.063 1.00 0.00 H new ATOM 0 HG SER A 131 0.106 19.002 -12.347 1.00 0.00 H new ATOM 1942 N GLY A 132 2.716 22.390 -8.656 1.00 0.00 N ATOM 1943 CA GLY A 132 2.882 23.751 -8.173 1.00 0.00 C ATOM 1944 C GLY A 132 4.326 24.225 -8.357 1.00 0.00 C ATOM 1945 O GLY A 132 4.973 23.886 -9.346 1.00 0.00 O ATOM 0 H GLY A 132 3.259 21.689 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.206 24.416 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.610 23.803 -7.119 1.00 0.00 H new ATOM 1949 N PRO A 133 4.800 25.022 -7.362 1.00 0.00 N ATOM 1950 CA PRO A 133 6.154 25.546 -7.405 1.00 0.00 C ATOM 1951 C PRO A 133 7.174 24.457 -7.065 1.00 0.00 C ATOM 1952 O PRO A 133 7.889 24.560 -6.070 1.00 0.00 O ATOM 1953 CB PRO A 133 6.162 26.698 -6.413 1.00 0.00 C ATOM 1954 CG PRO A 133 4.954 26.482 -5.515 1.00 0.00 C ATOM 1955 CD PRO A 133 4.062 25.444 -6.175 1.00 0.00 C ATOM 0 HA PRO A 133 6.440 25.892 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 133 7.084 26.707 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.100 27.657 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 133 5.268 26.143 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 133 4.412 27.417 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 133 3.872 24.604 -5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.093 25.866 -6.441 1.00 0.00 H new ATOM 1963 N SER A 134 7.209 23.439 -7.913 1.00 0.00 N ATOM 1964 CA SER A 134 8.130 22.333 -7.715 1.00 0.00 C ATOM 1965 C SER A 134 9.454 22.620 -8.425 1.00 0.00 C ATOM 1966 O SER A 134 9.515 22.630 -9.654 1.00 0.00 O ATOM 1967 CB SER A 134 7.530 21.020 -8.222 1.00 0.00 C ATOM 1968 OG SER A 134 7.386 21.011 -9.640 1.00 0.00 O ATOM 0 H SER A 134 6.615 23.357 -8.738 1.00 0.00 H new ATOM 0 HA SER A 134 8.314 22.229 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.166 20.189 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.556 20.863 -7.758 1.00 0.00 H new ATOM 0 HG SER A 134 8.082 21.571 -10.043 1.00 0.00 H new ATOM 1974 N SER A 135 10.483 22.848 -7.622 1.00 0.00 N ATOM 1975 CA SER A 135 11.802 23.135 -8.158 1.00 0.00 C ATOM 1976 C SER A 135 12.588 21.835 -8.339 1.00 0.00 C ATOM 1977 O SER A 135 12.215 20.799 -7.792 1.00 0.00 O ATOM 1978 CB SER A 135 12.570 24.097 -7.248 1.00 0.00 C ATOM 1979 OG SER A 135 12.841 25.339 -7.891 1.00 0.00 O ATOM 0 H SER A 135 10.429 22.840 -6.603 1.00 0.00 H new ATOM 0 HA SER A 135 11.679 23.616 -9.128 1.00 0.00 H new ATOM 0 HB2 SER A 135 11.993 24.277 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 135 13.509 23.635 -6.942 1.00 0.00 H new ATOM 0 HG SER A 135 13.331 25.925 -7.277 1.00 0.00 H new ATOM 1985 N GLY A 136 13.661 21.932 -9.110 1.00 0.00 N ATOM 1986 CA GLY A 136 14.503 20.776 -9.370 1.00 0.00 C ATOM 1987 C GLY A 136 15.860 21.202 -9.933 1.00 0.00 C ATOM 1988 O GLY A 136 16.889 21.024 -9.283 1.00 0.00 O ATOM 0 H GLY A 136 13.967 22.793 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.648 20.213 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 136 14.005 20.110 -10.075 1.00 0.00 H new TER 1992 GLY A 136