USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl -166:sc= -0.276 (180deg=-0.506) USER MOD Single : A 1 GLY N :NH3+ -96:sc= 0.022 (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= 0.238 USER MOD Single : A 6 SER OG : rot 23:sc= 0.0864 USER MOD Single : A 8 SER OG : rot -160:sc= 0.0182 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc=-0.00665 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : A 23 SER OG : rot -98:sc=0.000594 USER MOD Single : A 24 SER OG : rot 180:sc= -0.342 USER MOD Single : A 28 ASN : amide:sc= -2.13 K(o=-2.1,f=-6.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -50:sc= 0.00921 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 60 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.92 K(o=-0.92,f=-2.6!) USER MOD Single : A 71 SER OG : rot 160:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 49:sc= 0.358 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.596! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-0.21) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 39:sc= 0.0656 USER MOD Single : A 100 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00923 USER MOD Single : A 105 THR OG1 : rot -165:sc= 1.51 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 44:sc= 1.09 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.896 -20.760 19.514 1.00 0.00 N ATOM 2 CA GLY A 1 -23.749 -20.065 18.960 1.00 0.00 C ATOM 3 C GLY A 1 -22.487 -20.903 19.001 1.00 0.00 C ATOM 4 O GLY A 1 -22.316 -21.736 19.892 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.438 -21.203 18.745 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.571 -21.494 20.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.502 -20.082 20.019 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.962 -19.785 17.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.586 -19.141 19.514 1.00 0.00 H new ATOM 8 N SER A 2 -21.601 -20.685 18.035 1.00 0.00 N ATOM 9 CA SER A 2 -20.351 -21.431 17.961 1.00 0.00 C ATOM 10 C SER A 2 -19.160 -20.485 17.838 1.00 0.00 C ATOM 11 O SER A 2 -19.183 -19.541 17.049 1.00 0.00 O ATOM 12 CB SER A 2 -20.376 -22.395 16.773 1.00 0.00 C ATOM 13 OG SER A 2 -19.076 -22.876 16.479 1.00 0.00 O ATOM 0 H SER A 2 -21.726 -19.997 17.292 1.00 0.00 H new ATOM 0 HA SER A 2 -20.244 -22.004 18.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.036 -23.234 16.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.786 -21.889 15.899 1.00 0.00 H new ATOM 0 HG SER A 2 -19.119 -23.491 15.717 1.00 0.00 H new ATOM 19 N SER A 3 -18.121 -20.746 18.624 1.00 0.00 N ATOM 20 CA SER A 3 -16.922 -19.917 18.606 1.00 0.00 C ATOM 21 C SER A 3 -15.873 -20.497 17.663 1.00 0.00 C ATOM 22 O SER A 3 -15.434 -21.635 17.828 1.00 0.00 O ATOM 23 CB SER A 3 -16.342 -19.792 20.016 1.00 0.00 C ATOM 24 OG SER A 3 -15.386 -18.747 20.084 1.00 0.00 O ATOM 0 H SER A 3 -18.085 -21.525 19.281 1.00 0.00 H new ATOM 0 HA SER A 3 -17.201 -18.927 18.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.145 -19.601 20.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.877 -20.734 20.306 1.00 0.00 H new ATOM 0 HG SER A 3 -15.032 -18.687 20.996 1.00 0.00 H new ATOM 30 N GLY A 4 -15.475 -19.706 16.671 1.00 0.00 N ATOM 31 CA GLY A 4 -14.482 -20.158 15.714 1.00 0.00 C ATOM 32 C GLY A 4 -13.606 -19.028 15.210 1.00 0.00 C ATOM 33 O GLY A 4 -14.021 -18.248 14.352 1.00 0.00 O ATOM 0 H GLY A 4 -15.823 -18.760 16.513 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.856 -20.920 16.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.984 -20.629 14.869 1.00 0.00 H new ATOM 37 N SER A 5 -12.393 -18.937 15.745 1.00 0.00 N ATOM 38 CA SER A 5 -11.459 -17.890 15.348 1.00 0.00 C ATOM 39 C SER A 5 -10.410 -18.435 14.383 1.00 0.00 C ATOM 40 O SER A 5 -9.692 -19.383 14.700 1.00 0.00 O ATOM 41 CB SER A 5 -10.774 -17.294 16.579 1.00 0.00 C ATOM 42 OG SER A 5 -10.151 -18.303 17.355 1.00 0.00 O ATOM 0 H SER A 5 -12.034 -19.576 16.455 1.00 0.00 H new ATOM 0 HA SER A 5 -12.024 -17.108 14.841 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.031 -16.561 16.266 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.508 -16.765 17.187 1.00 0.00 H new ATOM 0 HG SER A 5 -9.764 -18.980 16.761 1.00 0.00 H new ATOM 48 N SER A 6 -10.328 -17.828 13.203 1.00 0.00 N ATOM 49 CA SER A 6 -9.370 -18.254 12.190 1.00 0.00 C ATOM 50 C SER A 6 -8.872 -17.062 11.378 1.00 0.00 C ATOM 51 O SER A 6 -9.654 -16.369 10.728 1.00 0.00 O ATOM 52 CB SER A 6 -10.006 -19.289 11.259 1.00 0.00 C ATOM 53 OG SER A 6 -9.916 -20.592 11.808 1.00 0.00 O ATOM 0 H SER A 6 -10.913 -17.040 12.925 1.00 0.00 H new ATOM 0 HA SER A 6 -8.519 -18.707 12.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.052 -19.035 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.509 -19.264 10.289 1.00 0.00 H new ATOM 0 HG SER A 6 -9.812 -20.531 12.781 1.00 0.00 H new ATOM 59 N GLY A 7 -7.563 -16.830 11.421 1.00 0.00 N ATOM 60 CA GLY A 7 -6.982 -15.722 10.686 1.00 0.00 C ATOM 61 C GLY A 7 -5.772 -16.136 9.873 1.00 0.00 C ATOM 62 O GLY A 7 -4.824 -16.712 10.408 1.00 0.00 O ATOM 0 H GLY A 7 -6.895 -17.390 11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.734 -15.297 10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.694 -14.937 11.386 1.00 0.00 H new ATOM 66 N SER A 8 -5.803 -15.844 8.577 1.00 0.00 N ATOM 67 CA SER A 8 -4.702 -16.195 7.687 1.00 0.00 C ATOM 68 C SER A 8 -3.360 -16.028 8.392 1.00 0.00 C ATOM 69 O SER A 8 -3.229 -15.231 9.322 1.00 0.00 O ATOM 70 CB SER A 8 -4.741 -15.329 6.427 1.00 0.00 C ATOM 71 OG SER A 8 -6.051 -15.268 5.890 1.00 0.00 O ATOM 0 H SER A 8 -6.579 -15.365 8.119 1.00 0.00 H new ATOM 0 HA SER A 8 -4.816 -17.241 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.394 -14.323 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.058 -15.735 5.681 1.00 0.00 H new ATOM 0 HG SER A 8 -6.007 -14.994 4.950 1.00 0.00 H new ATOM 77 N ARG A 9 -2.364 -16.785 7.943 1.00 0.00 N ATOM 78 CA ARG A 9 -1.031 -16.722 8.530 1.00 0.00 C ATOM 79 C ARG A 9 -0.438 -15.324 8.384 1.00 0.00 C ATOM 80 O ARG A 9 -0.105 -14.658 9.364 1.00 0.00 O ATOM 81 CB ARG A 9 -0.111 -17.750 7.870 1.00 0.00 C ATOM 82 CG ARG A 9 1.342 -17.308 7.795 1.00 0.00 C ATOM 83 CD ARG A 9 1.968 -17.216 9.177 1.00 0.00 C ATOM 84 NE ARG A 9 2.023 -18.516 9.841 1.00 0.00 N ATOM 85 CZ ARG A 9 2.372 -18.678 11.112 1.00 0.00 C ATOM 86 NH1 ARG A 9 2.694 -17.627 11.854 1.00 0.00 N ATOM 87 NH2 ARG A 9 2.398 -19.893 11.645 1.00 0.00 N ATOM 0 H ARG A 9 -2.455 -17.449 7.174 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.118 -16.952 9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.169 -18.686 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.472 -17.954 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.907 -18.013 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.403 -16.338 7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.976 -16.809 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.394 -16.520 9.789 1.00 0.00 H new ATOM 0 HE ARG A 9 1.780 -19.345 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.674 -16.691 11.449 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.962 -17.754 12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.150 -20.704 11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.666 -20.016 12.621 1.00 0.00 H new ATOM 101 N PRO A 10 -0.300 -14.868 7.130 1.00 0.00 N ATOM 102 CA PRO A 10 0.254 -13.545 6.825 1.00 0.00 C ATOM 103 C PRO A 10 -0.683 -12.415 7.238 1.00 0.00 C ATOM 104 O PRO A 10 -1.851 -12.391 6.850 1.00 0.00 O ATOM 105 CB PRO A 10 0.420 -13.572 5.304 1.00 0.00 C ATOM 106 CG PRO A 10 -0.581 -14.568 4.830 1.00 0.00 C ATOM 107 CD PRO A 10 -0.675 -15.608 5.913 1.00 0.00 C ATOM 0 HA PRO A 10 1.182 -13.357 7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.237 -12.590 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.432 -13.863 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.548 -14.097 4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.270 -15.015 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.681 -16.021 5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.001 -16.444 5.727 1.00 0.00 H new ATOM 115 N ARG A 11 -0.164 -11.480 8.027 1.00 0.00 N ATOM 116 CA ARG A 11 -0.955 -10.347 8.492 1.00 0.00 C ATOM 117 C ARG A 11 -0.239 -9.030 8.208 1.00 0.00 C ATOM 118 O ARG A 11 0.963 -9.010 7.939 1.00 0.00 O ATOM 119 CB ARG A 11 -1.234 -10.475 9.991 1.00 0.00 C ATOM 120 CG ARG A 11 -2.145 -11.640 10.343 1.00 0.00 C ATOM 121 CD ARG A 11 -3.593 -11.342 9.988 1.00 0.00 C ATOM 122 NE ARG A 11 -4.298 -10.674 11.079 1.00 0.00 N ATOM 123 CZ ARG A 11 -4.692 -11.292 12.187 1.00 0.00 C ATOM 124 NH1 ARG A 11 -4.451 -12.585 12.350 1.00 0.00 N ATOM 125 NH2 ARG A 11 -5.329 -10.616 13.135 1.00 0.00 N ATOM 0 H ARG A 11 0.801 -11.485 8.358 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.901 -10.350 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.288 -10.592 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.686 -9.550 10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.816 -12.534 9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.067 -11.855 11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.626 -10.715 9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.105 -12.272 9.742 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.499 -9.678 10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.962 -13.108 11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.755 -13.057 13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.517 -9.621 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.631 -11.092 13.985 1.00 0.00 H new ATOM 139 N LEU A 12 -0.984 -7.933 8.270 1.00 0.00 N ATOM 140 CA LEU A 12 -0.421 -6.610 8.018 1.00 0.00 C ATOM 141 C LEU A 12 0.404 -6.135 9.210 1.00 0.00 C ATOM 142 O LEU A 12 0.294 -6.677 10.310 1.00 0.00 O ATOM 143 CB LEU A 12 -1.537 -5.607 7.723 1.00 0.00 C ATOM 144 CG LEU A 12 -1.972 -5.498 6.261 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.372 -4.912 6.163 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.982 -4.655 5.471 1.00 0.00 C ATOM 0 H LEU A 12 -1.979 -7.932 8.492 1.00 0.00 H new ATOM 0 HA LEU A 12 0.234 -6.680 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.408 -5.876 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.211 -4.622 8.059 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.989 -6.500 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.665 -4.842 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.074 -5.556 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.382 -3.918 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.308 -4.588 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.932 -3.654 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.004 -5.117 5.513 1.00 0.00 H new ATOM 158 N SER A 13 1.229 -5.117 8.984 1.00 0.00 N ATOM 159 CA SER A 13 2.074 -4.569 10.038 1.00 0.00 C ATOM 160 C SER A 13 1.510 -3.248 10.554 1.00 0.00 C ATOM 161 O SER A 13 0.472 -2.780 10.088 1.00 0.00 O ATOM 162 CB SER A 13 3.499 -4.362 9.523 1.00 0.00 C ATOM 163 OG SER A 13 4.444 -4.494 10.570 1.00 0.00 O ATOM 0 H SER A 13 1.330 -4.655 8.080 1.00 0.00 H new ATOM 0 HA SER A 13 2.094 -5.282 10.862 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.715 -5.089 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.586 -3.373 9.073 1.00 0.00 H new ATOM 0 HG SER A 13 5.347 -4.359 10.214 1.00 0.00 H new ATOM 169 N GLN A 14 2.203 -2.654 11.520 1.00 0.00 N ATOM 170 CA GLN A 14 1.772 -1.387 12.100 1.00 0.00 C ATOM 171 C GLN A 14 1.650 -0.310 11.027 1.00 0.00 C ATOM 172 O GLN A 14 2.652 0.148 10.476 1.00 0.00 O ATOM 173 CB GLN A 14 2.755 -0.937 13.182 1.00 0.00 C ATOM 174 CG GLN A 14 4.206 -1.255 12.857 1.00 0.00 C ATOM 175 CD GLN A 14 5.181 -0.407 13.649 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.275 0.804 13.448 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.914 -1.041 14.558 1.00 0.00 N ATOM 0 H GLN A 14 3.064 -3.029 11.917 1.00 0.00 H new ATOM 0 HA GLN A 14 0.791 -1.538 12.550 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.652 0.138 13.330 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.489 -1.416 14.124 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.398 -2.308 13.061 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.378 -1.100 11.792 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.804 -2.046 14.692 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.587 -0.523 15.122 1.00 0.00 H new ATOM 186 N LEU A 15 0.417 0.090 10.736 1.00 0.00 N ATOM 187 CA LEU A 15 0.164 1.113 9.728 1.00 0.00 C ATOM 188 C LEU A 15 0.360 2.510 10.309 1.00 0.00 C ATOM 189 O LEU A 15 -0.484 3.007 11.055 1.00 0.00 O ATOM 190 CB LEU A 15 -1.256 0.973 9.176 1.00 0.00 C ATOM 191 CG LEU A 15 -1.658 1.977 8.095 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.872 1.728 6.817 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.154 1.901 7.827 1.00 0.00 C ATOM 0 H LEU A 15 -0.422 -0.278 11.183 1.00 0.00 H new ATOM 0 HA LEU A 15 0.878 0.973 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.369 -0.032 8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.957 1.062 10.006 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.424 2.980 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.171 2.452 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.194 1.834 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.075 0.720 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.422 2.622 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.413 0.897 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.700 2.129 8.743 1.00 0.00 H new ATOM 205 N SER A 16 1.478 3.139 9.960 1.00 0.00 N ATOM 206 CA SER A 16 1.786 4.478 10.448 1.00 0.00 C ATOM 207 C SER A 16 1.578 5.517 9.351 1.00 0.00 C ATOM 208 O SER A 16 1.562 5.190 8.164 1.00 0.00 O ATOM 209 CB SER A 16 3.227 4.539 10.958 1.00 0.00 C ATOM 210 OG SER A 16 3.439 3.602 12.000 1.00 0.00 O ATOM 0 H SER A 16 2.185 2.743 9.341 1.00 0.00 H new ATOM 0 HA SER A 16 1.107 4.703 11.271 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.915 4.337 10.137 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.446 5.544 11.318 1.00 0.00 H new ATOM 0 HG SER A 16 4.368 3.659 12.308 1.00 0.00 H new ATOM 216 N VAL A 17 1.420 6.773 9.756 1.00 0.00 N ATOM 217 CA VAL A 17 1.214 7.862 8.809 1.00 0.00 C ATOM 218 C VAL A 17 2.312 8.913 8.932 1.00 0.00 C ATOM 219 O VAL A 17 2.517 9.491 10.000 1.00 0.00 O ATOM 220 CB VAL A 17 -0.154 8.538 9.019 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.418 9.562 7.925 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.261 7.497 9.064 1.00 0.00 C ATOM 0 H VAL A 17 1.431 7.062 10.734 1.00 0.00 H new ATOM 0 HA VAL A 17 1.245 7.423 7.812 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.138 9.060 9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.389 10.029 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.360 10.325 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.414 9.066 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.220 7.992 9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.280 6.945 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.078 6.806 9.887 1.00 0.00 H new ATOM 232 N THR A 18 3.018 9.156 7.832 1.00 0.00 N ATOM 233 CA THR A 18 4.096 10.136 7.816 1.00 0.00 C ATOM 234 C THR A 18 3.822 11.239 6.800 1.00 0.00 C ATOM 235 O THR A 18 2.910 11.127 5.979 1.00 0.00 O ATOM 236 CB THR A 18 5.449 9.477 7.489 1.00 0.00 C ATOM 237 OG1 THR A 18 5.668 9.482 6.074 1.00 0.00 O ATOM 238 CG2 THR A 18 5.495 8.049 8.010 1.00 0.00 C ATOM 0 H THR A 18 2.862 8.687 6.940 1.00 0.00 H new ATOM 0 HA THR A 18 4.143 10.570 8.815 1.00 0.00 H new ATOM 0 HB THR A 18 6.235 10.051 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.531 9.063 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.460 7.604 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.358 8.052 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.700 7.466 7.545 1.00 0.00 H new ATOM 246 N ASP A 19 4.616 12.302 6.859 1.00 0.00 N ATOM 247 CA ASP A 19 4.459 13.425 5.942 1.00 0.00 C ATOM 248 C ASP A 19 3.065 14.033 6.060 1.00 0.00 C ATOM 249 O ASP A 19 2.497 14.507 5.075 1.00 0.00 O ATOM 250 CB ASP A 19 4.712 12.974 4.502 1.00 0.00 C ATOM 251 CG ASP A 19 6.189 12.924 4.162 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.811 14.002 4.061 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.722 11.807 3.997 1.00 0.00 O ATOM 0 H ASP A 19 5.375 12.410 7.532 1.00 0.00 H new ATOM 0 HA ASP A 19 5.191 14.186 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.274 11.987 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.207 13.655 3.817 1.00 0.00 H new ATOM 258 N VAL A 20 2.518 14.016 7.271 1.00 0.00 N ATOM 259 CA VAL A 20 1.191 14.566 7.518 1.00 0.00 C ATOM 260 C VAL A 20 1.043 15.949 6.894 1.00 0.00 C ATOM 261 O VAL A 20 1.544 16.940 7.427 1.00 0.00 O ATOM 262 CB VAL A 20 0.895 14.661 9.027 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.572 14.985 9.264 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.283 13.368 9.728 1.00 0.00 C ATOM 0 H VAL A 20 2.974 13.627 8.097 1.00 0.00 H new ATOM 0 HA VAL A 20 0.476 13.885 7.057 1.00 0.00 H new ATOM 0 HB VAL A 20 1.494 15.469 9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.762 15.048 10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.814 15.939 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.192 14.200 8.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.067 13.453 10.793 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.712 12.540 9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.348 13.183 9.587 1.00 0.00 H new ATOM 274 N THR A 21 0.352 16.010 5.760 1.00 0.00 N ATOM 275 CA THR A 21 0.139 17.272 5.062 1.00 0.00 C ATOM 276 C THR A 21 -1.109 17.981 5.577 1.00 0.00 C ATOM 277 O THR A 21 -2.030 17.345 6.092 1.00 0.00 O ATOM 278 CB THR A 21 0.004 17.057 3.543 1.00 0.00 C ATOM 279 OG1 THR A 21 0.775 15.921 3.138 1.00 0.00 O ATOM 280 CG2 THR A 21 0.467 18.289 2.780 1.00 0.00 C ATOM 0 H THR A 21 -0.070 15.200 5.305 1.00 0.00 H new ATOM 0 HA THR A 21 1.013 17.893 5.257 1.00 0.00 H new ATOM 0 HB THR A 21 -1.047 16.881 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.813 15.884 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.363 18.114 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.142 19.146 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.512 18.491 3.015 1.00 0.00 H new ATOM 288 N THR A 22 -1.134 19.302 5.434 1.00 0.00 N ATOM 289 CA THR A 22 -2.269 20.098 5.885 1.00 0.00 C ATOM 290 C THR A 22 -3.589 19.431 5.518 1.00 0.00 C ATOM 291 O THR A 22 -4.474 19.277 6.360 1.00 0.00 O ATOM 292 CB THR A 22 -2.237 21.514 5.281 1.00 0.00 C ATOM 293 OG1 THR A 22 -2.264 21.438 3.851 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.993 22.267 5.730 1.00 0.00 C ATOM 0 H THR A 22 -0.381 19.844 5.009 1.00 0.00 H new ATOM 0 HA THR A 22 -2.192 20.172 6.970 1.00 0.00 H new ATOM 0 HB THR A 22 -3.116 22.054 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.245 22.343 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.993 23.264 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.990 22.349 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.104 21.727 5.405 1.00 0.00 H new ATOM 302 N SER A 23 -3.715 19.034 4.255 1.00 0.00 N ATOM 303 CA SER A 23 -4.930 18.386 3.775 1.00 0.00 C ATOM 304 C SER A 23 -4.608 17.043 3.125 1.00 0.00 C ATOM 305 O SER A 23 -5.383 16.530 2.318 1.00 0.00 O ATOM 306 CB SER A 23 -5.655 19.289 2.776 1.00 0.00 C ATOM 307 OG SER A 23 -6.168 20.446 3.413 1.00 0.00 O ATOM 0 H SER A 23 -2.991 19.150 3.546 1.00 0.00 H new ATOM 0 HA SER A 23 -5.581 18.209 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.969 19.582 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.469 18.737 2.307 1.00 0.00 H new ATOM 0 HG SER A 23 -7.117 20.313 3.618 1.00 0.00 H new ATOM 313 N SER A 24 -3.459 16.480 3.483 1.00 0.00 N ATOM 314 CA SER A 24 -3.031 15.199 2.932 1.00 0.00 C ATOM 315 C SER A 24 -2.070 14.492 3.884 1.00 0.00 C ATOM 316 O SER A 24 -1.763 14.999 4.964 1.00 0.00 O ATOM 317 CB SER A 24 -2.362 15.403 1.572 1.00 0.00 C ATOM 318 OG SER A 24 -3.031 16.398 0.818 1.00 0.00 O ATOM 0 H SER A 24 -2.807 16.890 4.152 1.00 0.00 H new ATOM 0 HA SER A 24 -3.914 14.573 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.320 15.690 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.361 14.463 1.020 1.00 0.00 H new ATOM 0 HG SER A 24 -2.583 16.510 -0.046 1.00 0.00 H new ATOM 324 N LEU A 25 -1.599 13.319 3.475 1.00 0.00 N ATOM 325 CA LEU A 25 -0.673 12.541 4.290 1.00 0.00 C ATOM 326 C LEU A 25 -0.204 11.297 3.543 1.00 0.00 C ATOM 327 O LEU A 25 -0.604 11.057 2.404 1.00 0.00 O ATOM 328 CB LEU A 25 -1.337 12.139 5.608 1.00 0.00 C ATOM 329 CG LEU A 25 -2.853 11.946 5.565 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.210 10.689 4.786 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.423 11.882 6.975 1.00 0.00 C ATOM 0 H LEU A 25 -1.843 12.886 2.584 1.00 0.00 H new ATOM 0 HA LEU A 25 0.196 13.163 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.882 11.210 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.109 12.901 6.354 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.294 12.802 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.293 10.568 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.836 10.775 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.757 9.822 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.503 11.744 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.975 11.045 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.200 12.811 7.500 1.00 0.00 H new ATOM 343 N ARG A 26 0.645 10.508 4.193 1.00 0.00 N ATOM 344 CA ARG A 26 1.168 9.287 3.591 1.00 0.00 C ATOM 345 C ARG A 26 1.113 8.126 4.579 1.00 0.00 C ATOM 346 O ARG A 26 1.278 8.315 5.785 1.00 0.00 O ATOM 347 CB ARG A 26 2.608 9.502 3.119 1.00 0.00 C ATOM 348 CG ARG A 26 3.164 8.341 2.312 1.00 0.00 C ATOM 349 CD ARG A 26 4.681 8.278 2.397 1.00 0.00 C ATOM 350 NE ARG A 26 5.196 6.963 2.026 1.00 0.00 N ATOM 351 CZ ARG A 26 5.170 6.487 0.787 1.00 0.00 C ATOM 352 NH1 ARG A 26 4.658 7.214 -0.196 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.659 5.280 0.528 1.00 0.00 N ATOM 0 H ARG A 26 0.986 10.692 5.137 1.00 0.00 H new ATOM 0 HA ARG A 26 0.544 9.040 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.652 10.408 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.245 9.668 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.739 7.406 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.861 8.443 1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.112 9.034 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.997 8.518 3.412 1.00 0.00 H new ATOM 0 HE ARG A 26 5.598 6.378 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.282 8.142 -0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.640 6.845 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.055 4.718 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.639 4.915 -0.424 1.00 0.00 H new ATOM 367 N LEU A 27 0.879 6.926 4.061 1.00 0.00 N ATOM 368 CA LEU A 27 0.802 5.733 4.898 1.00 0.00 C ATOM 369 C LEU A 27 1.954 4.780 4.596 1.00 0.00 C ATOM 370 O LEU A 27 2.603 4.885 3.556 1.00 0.00 O ATOM 371 CB LEU A 27 -0.534 5.020 4.682 1.00 0.00 C ATOM 372 CG LEU A 27 -1.732 5.596 5.438 1.00 0.00 C ATOM 373 CD1 LEU A 27 -3.033 5.206 4.754 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.726 5.124 6.885 1.00 0.00 C ATOM 0 H LEU A 27 0.739 6.752 3.066 1.00 0.00 H new ATOM 0 HA LEU A 27 0.877 6.045 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.762 5.033 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.416 3.975 4.970 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.653 6.683 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.874 5.625 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.039 5.593 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.120 4.120 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.585 5.543 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.780 4.036 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.808 5.454 7.372 1.00 0.00 H new ATOM 386 N ASN A 28 2.201 3.850 5.512 1.00 0.00 N ATOM 387 CA ASN A 28 3.275 2.877 5.343 1.00 0.00 C ATOM 388 C ASN A 28 2.991 1.610 6.145 1.00 0.00 C ATOM 389 O ASN A 28 2.825 1.659 7.364 1.00 0.00 O ATOM 390 CB ASN A 28 4.612 3.481 5.778 1.00 0.00 C ATOM 391 CG ASN A 28 4.967 4.727 4.990 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.517 4.644 3.891 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.653 5.890 5.549 1.00 0.00 N ATOM 0 H ASN A 28 1.673 3.749 6.379 1.00 0.00 H new ATOM 0 HA ASN A 28 3.330 2.613 4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.569 3.726 6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.401 2.739 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.867 6.762 5.066 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.198 5.911 6.462 1.00 0.00 H new ATOM 400 N TRP A 29 2.939 0.478 5.453 1.00 0.00 N ATOM 401 CA TRP A 29 2.676 -0.802 6.100 1.00 0.00 C ATOM 402 C TRP A 29 3.562 -1.898 5.518 1.00 0.00 C ATOM 403 O TRP A 29 3.840 -1.912 4.320 1.00 0.00 O ATOM 404 CB TRP A 29 1.203 -1.183 5.945 1.00 0.00 C ATOM 405 CG TRP A 29 0.775 -1.328 4.516 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.746 -2.479 3.781 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.316 -0.285 3.649 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.297 -2.214 2.510 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.026 -0.876 2.403 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.121 1.090 3.804 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.448 -0.138 1.322 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.349 1.821 2.729 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.630 1.206 1.502 1.00 0.00 C ATOM 0 H TRP A 29 3.075 0.420 4.444 1.00 0.00 H new ATOM 0 HA TRP A 29 2.907 -0.699 7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.021 -2.121 6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.586 -0.424 6.427 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.034 -3.454 4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.184 -2.903 1.766 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.334 1.573 4.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.664 -0.610 0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.502 2.885 2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.998 1.805 0.682 1.00 0.00 H new ATOM 424 N GLU A 30 4.002 -2.815 6.374 1.00 0.00 N ATOM 425 CA GLU A 30 4.857 -3.915 5.943 1.00 0.00 C ATOM 426 C GLU A 30 4.053 -5.203 5.795 1.00 0.00 C ATOM 427 O GLU A 30 3.224 -5.530 6.643 1.00 0.00 O ATOM 428 CB GLU A 30 5.999 -4.124 6.940 1.00 0.00 C ATOM 429 CG GLU A 30 6.869 -5.329 6.625 1.00 0.00 C ATOM 430 CD GLU A 30 8.042 -5.466 7.575 1.00 0.00 C ATOM 431 OE1 GLU A 30 7.903 -5.067 8.751 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.100 -5.971 7.144 1.00 0.00 O ATOM 0 H GLU A 30 3.781 -2.818 7.370 1.00 0.00 H new ATOM 0 HA GLU A 30 5.277 -3.656 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.623 -3.230 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.581 -4.240 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.262 -6.233 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.241 -5.247 5.604 1.00 0.00 H new ATOM 439 N ALA A 31 4.306 -5.931 4.712 1.00 0.00 N ATOM 440 CA ALA A 31 3.608 -7.184 4.453 1.00 0.00 C ATOM 441 C ALA A 31 4.545 -8.217 3.838 1.00 0.00 C ATOM 442 O ALA A 31 5.437 -7.893 3.054 1.00 0.00 O ATOM 443 CB ALA A 31 2.413 -6.944 3.543 1.00 0.00 C ATOM 0 H ALA A 31 4.990 -5.674 4.000 1.00 0.00 H new ATOM 0 HA ALA A 31 3.252 -7.577 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.901 -7.888 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.726 -6.246 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.755 -6.525 2.597 1.00 0.00 H new ATOM 449 N PRO A 32 4.341 -9.492 4.201 1.00 0.00 N ATOM 450 CA PRO A 32 5.159 -10.600 3.696 1.00 0.00 C ATOM 451 C PRO A 32 4.908 -10.878 2.218 1.00 0.00 C ATOM 452 O PRO A 32 3.952 -10.383 1.622 1.00 0.00 O ATOM 453 CB PRO A 32 4.709 -11.789 4.548 1.00 0.00 C ATOM 454 CG PRO A 32 3.324 -11.447 4.976 1.00 0.00 C ATOM 455 CD PRO A 32 3.297 -9.952 5.132 1.00 0.00 C ATOM 0 HA PRO A 32 6.225 -10.386 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.729 -12.716 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.365 -11.931 5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.594 -11.775 4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.072 -11.942 5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.321 -9.539 4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.512 -9.651 6.157 1.00 0.00 H new ATOM 463 N PRO A 33 5.787 -11.689 1.611 1.00 0.00 N ATOM 464 CA PRO A 33 5.681 -12.052 0.194 1.00 0.00 C ATOM 465 C PRO A 33 4.495 -12.969 -0.082 1.00 0.00 C ATOM 466 O PRO A 33 4.169 -13.839 0.725 1.00 0.00 O ATOM 467 CB PRO A 33 6.998 -12.782 -0.084 1.00 0.00 C ATOM 468 CG PRO A 33 7.423 -13.315 1.241 1.00 0.00 C ATOM 469 CD PRO A 33 6.951 -12.315 2.260 1.00 0.00 C ATOM 0 HA PRO A 33 5.519 -11.180 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.860 -13.585 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.746 -12.105 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.986 -14.296 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.505 -13.435 1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.677 -12.797 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.724 -11.582 2.492 1.00 0.00 H new ATOM 477 N GLY A 34 3.852 -12.769 -1.229 1.00 0.00 N ATOM 478 CA GLY A 34 2.709 -13.586 -1.591 1.00 0.00 C ATOM 479 C GLY A 34 1.649 -13.613 -0.507 1.00 0.00 C ATOM 480 O GLY A 34 1.053 -14.656 -0.239 1.00 0.00 O ATOM 0 H GLY A 34 4.103 -12.056 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.271 -13.205 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.043 -14.604 -1.794 1.00 0.00 H new ATOM 484 N ALA A 35 1.415 -12.464 0.118 1.00 0.00 N ATOM 485 CA ALA A 35 0.420 -12.361 1.179 1.00 0.00 C ATOM 486 C ALA A 35 -0.947 -11.987 0.615 1.00 0.00 C ATOM 487 O ALA A 35 -1.942 -12.663 0.873 1.00 0.00 O ATOM 488 CB ALA A 35 0.861 -11.341 2.218 1.00 0.00 C ATOM 0 H ALA A 35 1.900 -11.592 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 35 0.332 -13.336 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.109 -11.274 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.812 -11.651 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.978 -10.366 1.744 1.00 0.00 H new ATOM 494 N PHE A 36 -0.987 -10.905 -0.157 1.00 0.00 N ATOM 495 CA PHE A 36 -2.233 -10.440 -0.756 1.00 0.00 C ATOM 496 C PHE A 36 -2.010 -10.000 -2.200 1.00 0.00 C ATOM 497 O PHE A 36 -0.890 -9.676 -2.596 1.00 0.00 O ATOM 498 CB PHE A 36 -2.815 -9.283 0.058 1.00 0.00 C ATOM 499 CG PHE A 36 -2.592 -9.419 1.537 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.489 -10.124 2.324 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.486 -8.843 2.141 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.287 -10.250 3.686 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.278 -8.966 3.502 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.179 -9.672 4.275 1.00 0.00 C ATOM 0 H PHE A 36 -0.172 -10.335 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.941 -11.269 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.370 -8.349 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.886 -9.216 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.355 -10.580 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.778 -8.291 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.995 -10.800 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.412 -8.511 3.960 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.018 -9.772 5.338 1.00 0.00 H new ATOM 514 N ASP A 37 -3.084 -9.990 -2.981 1.00 0.00 N ATOM 515 CA ASP A 37 -3.008 -9.589 -4.381 1.00 0.00 C ATOM 516 C ASP A 37 -2.904 -8.072 -4.507 1.00 0.00 C ATOM 517 O ASP A 37 -2.133 -7.558 -5.317 1.00 0.00 O ATOM 518 CB ASP A 37 -4.232 -10.094 -5.146 1.00 0.00 C ATOM 519 CG ASP A 37 -4.051 -11.508 -5.660 1.00 0.00 C ATOM 520 OD1 ASP A 37 -3.590 -12.369 -4.881 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.372 -11.756 -6.841 1.00 0.00 O ATOM 0 H ASP A 37 -4.018 -10.255 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.111 -10.034 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.105 -10.056 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.432 -9.428 -5.986 1.00 0.00 H new ATOM 526 N SER A 38 -3.686 -7.362 -3.701 1.00 0.00 N ATOM 527 CA SER A 38 -3.685 -5.904 -3.726 1.00 0.00 C ATOM 528 C SER A 38 -4.082 -5.337 -2.366 1.00 0.00 C ATOM 529 O SER A 38 -4.360 -6.083 -1.427 1.00 0.00 O ATOM 530 CB SER A 38 -4.642 -5.390 -4.803 1.00 0.00 C ATOM 531 OG SER A 38 -5.849 -6.132 -4.809 1.00 0.00 O ATOM 0 H SER A 38 -4.328 -7.772 -3.023 1.00 0.00 H new ATOM 0 HA SER A 38 -2.674 -5.571 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.860 -4.337 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.165 -5.458 -5.781 1.00 0.00 H new ATOM 0 HG SER A 38 -6.444 -5.783 -5.505 1.00 0.00 H new ATOM 537 N PHE A 39 -4.106 -4.012 -2.268 1.00 0.00 N ATOM 538 CA PHE A 39 -4.468 -3.344 -1.023 1.00 0.00 C ATOM 539 C PHE A 39 -5.514 -2.261 -1.271 1.00 0.00 C ATOM 540 O PHE A 39 -5.317 -1.368 -2.097 1.00 0.00 O ATOM 541 CB PHE A 39 -3.228 -2.730 -0.370 1.00 0.00 C ATOM 542 CG PHE A 39 -2.400 -3.723 0.395 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.878 -4.288 1.566 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.142 -4.090 -0.057 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.119 -5.202 2.271 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.379 -5.004 0.644 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.867 -5.560 1.811 1.00 0.00 C ATOM 0 H PHE A 39 -3.879 -3.380 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.894 -4.089 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.610 -2.272 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.539 -1.932 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.855 -4.011 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.754 -3.657 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.505 -5.636 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.599 -5.284 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.271 -6.273 2.362 1.00 0.00 H new ATOM 557 N LEU A 40 -6.628 -2.347 -0.552 1.00 0.00 N ATOM 558 CA LEU A 40 -7.707 -1.376 -0.693 1.00 0.00 C ATOM 559 C LEU A 40 -7.878 -0.563 0.586 1.00 0.00 C ATOM 560 O LEU A 40 -8.444 -1.043 1.569 1.00 0.00 O ATOM 561 CB LEU A 40 -9.017 -2.086 -1.039 1.00 0.00 C ATOM 562 CG LEU A 40 -10.154 -1.192 -1.534 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.877 -0.709 -2.949 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.481 -1.935 -1.473 1.00 0.00 C ATOM 0 H LEU A 40 -6.807 -3.080 0.135 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.446 -0.695 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.810 -2.834 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.361 -2.622 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.216 -0.322 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.697 -0.074 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.948 -0.139 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.787 -1.567 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.279 -1.284 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.430 -2.824 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.686 -2.231 -0.444 1.00 0.00 H new ATOM 576 N LEU A 41 -7.388 0.672 0.566 1.00 0.00 N ATOM 577 CA LEU A 41 -7.489 1.554 1.724 1.00 0.00 C ATOM 578 C LEU A 41 -8.793 2.345 1.694 1.00 0.00 C ATOM 579 O LEU A 41 -9.139 2.953 0.680 1.00 0.00 O ATOM 580 CB LEU A 41 -6.299 2.514 1.764 1.00 0.00 C ATOM 581 CG LEU A 41 -6.283 3.516 2.919 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.551 2.935 4.119 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.640 4.824 2.481 1.00 0.00 C ATOM 0 H LEU A 41 -6.917 1.085 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.480 0.936 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.383 1.924 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.275 3.070 0.827 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.313 3.721 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.550 3.662 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.054 2.025 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.524 2.701 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.637 5.525 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.615 4.636 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.207 5.248 1.652 1.00 0.00 H new ATOM 595 N ARG A 42 -9.512 2.334 2.811 1.00 0.00 N ATOM 596 CA ARG A 42 -10.777 3.051 2.914 1.00 0.00 C ATOM 597 C ARG A 42 -10.706 4.128 3.992 1.00 0.00 C ATOM 598 O ARG A 42 -10.587 3.825 5.180 1.00 0.00 O ATOM 599 CB ARG A 42 -11.916 2.077 3.224 1.00 0.00 C ATOM 600 CG ARG A 42 -12.568 1.488 1.984 1.00 0.00 C ATOM 601 CD ARG A 42 -13.869 0.777 2.323 1.00 0.00 C ATOM 602 NE ARG A 42 -13.656 -0.633 2.637 1.00 0.00 N ATOM 603 CZ ARG A 42 -14.587 -1.416 3.171 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.788 -0.929 3.447 1.00 0.00 N ATOM 605 NH2 ARG A 42 -14.317 -2.690 3.428 1.00 0.00 N ATOM 0 H ARG A 42 -9.240 1.836 3.658 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.971 3.533 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.531 1.266 3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.674 2.593 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.763 2.281 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.882 0.787 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.341 1.270 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.558 0.861 1.482 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.742 -1.039 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.999 0.049 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.501 -1.532 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.394 -3.069 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.032 -3.290 3.838 1.00 0.00 H new ATOM 619 N PHE A 43 -10.780 5.386 3.571 1.00 0.00 N ATOM 620 CA PHE A 43 -10.723 6.508 4.500 1.00 0.00 C ATOM 621 C PHE A 43 -12.084 7.189 4.615 1.00 0.00 C ATOM 622 O PHE A 43 -12.639 7.662 3.625 1.00 0.00 O ATOM 623 CB PHE A 43 -9.670 7.521 4.045 1.00 0.00 C ATOM 624 CG PHE A 43 -9.608 7.693 2.555 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.107 6.683 1.748 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.049 8.864 1.960 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.049 6.838 0.376 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.994 9.023 0.588 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.492 8.010 -0.205 1.00 0.00 C ATOM 0 H PHE A 43 -10.880 5.654 2.592 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.446 6.122 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.883 8.486 4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.692 7.204 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.758 5.765 2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.440 9.661 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.657 6.043 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.344 9.940 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.446 8.134 -1.277 1.00 0.00 H new ATOM 639 N GLY A 44 -12.616 7.233 5.833 1.00 0.00 N ATOM 640 CA GLY A 44 -13.907 7.857 6.056 1.00 0.00 C ATOM 641 C GLY A 44 -13.870 8.883 7.171 1.00 0.00 C ATOM 642 O GLY A 44 -13.084 8.762 8.111 1.00 0.00 O ATOM 0 H GLY A 44 -12.176 6.848 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.239 8.337 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.642 7.089 6.298 1.00 0.00 H new ATOM 646 N VAL A 45 -14.722 9.898 7.067 1.00 0.00 N ATOM 647 CA VAL A 45 -14.783 10.951 8.074 1.00 0.00 C ATOM 648 C VAL A 45 -15.579 10.499 9.293 1.00 0.00 C ATOM 649 O VAL A 45 -16.794 10.311 9.237 1.00 0.00 O ATOM 650 CB VAL A 45 -15.419 12.234 7.506 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.474 13.319 8.571 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.650 12.714 6.285 1.00 0.00 C ATOM 0 H VAL A 45 -15.379 10.013 6.296 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.757 11.164 8.372 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.440 12.007 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.926 14.218 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.071 12.972 9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.464 13.546 8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.113 13.621 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.618 12.925 6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.667 11.941 5.517 1.00 0.00 H new ATOM 662 N PRO A 46 -14.879 10.321 10.424 1.00 0.00 N ATOM 663 CA PRO A 46 -15.500 9.891 11.680 1.00 0.00 C ATOM 664 C PRO A 46 -16.392 10.969 12.285 1.00 0.00 C ATOM 665 O PRO A 46 -15.908 12.008 12.735 1.00 0.00 O ATOM 666 CB PRO A 46 -14.302 9.613 12.591 1.00 0.00 C ATOM 667 CG PRO A 46 -13.209 10.467 12.049 1.00 0.00 C ATOM 668 CD PRO A 46 -13.428 10.528 10.563 1.00 0.00 C ATOM 0 HA PRO A 46 -16.153 9.030 11.538 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.525 9.866 13.627 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.027 8.558 12.573 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.238 11.464 12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.232 10.044 12.282 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.118 11.488 10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.860 9.758 10.041 1.00 0.00 H new ATOM 676 N SER A 47 -17.697 10.716 12.294 1.00 0.00 N ATOM 677 CA SER A 47 -18.657 11.667 12.842 1.00 0.00 C ATOM 678 C SER A 47 -19.267 11.139 14.136 1.00 0.00 C ATOM 679 O SER A 47 -19.548 9.948 14.280 1.00 0.00 O ATOM 680 CB SER A 47 -19.761 11.953 11.823 1.00 0.00 C ATOM 681 OG SER A 47 -20.458 10.768 11.480 1.00 0.00 O ATOM 0 H SER A 47 -18.114 9.860 11.928 1.00 0.00 H new ATOM 0 HA SER A 47 -18.128 12.594 13.063 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.459 12.683 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.327 12.396 10.927 1.00 0.00 H new ATOM 0 HG SER A 47 -21.159 10.978 10.829 1.00 0.00 H new ATOM 687 N PRO A 48 -19.478 12.044 15.103 1.00 0.00 N ATOM 688 CA PRO A 48 -20.058 11.694 16.403 1.00 0.00 C ATOM 689 C PRO A 48 -21.532 11.318 16.298 1.00 0.00 C ATOM 690 O PRO A 48 -22.222 11.725 15.363 1.00 0.00 O ATOM 691 CB PRO A 48 -19.891 12.976 17.223 1.00 0.00 C ATOM 692 CG PRO A 48 -19.838 14.068 16.212 1.00 0.00 C ATOM 693 CD PRO A 48 -19.168 13.480 15.001 1.00 0.00 C ATOM 0 HA PRO A 48 -19.573 10.823 16.844 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -20.723 13.116 17.913 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -18.981 12.947 17.822 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.839 14.424 15.970 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -19.278 14.923 16.591 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.557 13.910 14.078 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -18.093 13.661 15.009 1.00 0.00 H new ATOM 701 N SER A 49 -22.009 10.538 17.263 1.00 0.00 N ATOM 702 CA SER A 49 -23.401 10.104 17.276 1.00 0.00 C ATOM 703 C SER A 49 -24.234 10.979 18.209 1.00 0.00 C ATOM 704 O SER A 49 -25.374 10.648 18.538 1.00 0.00 O ATOM 705 CB SER A 49 -23.497 8.640 17.711 1.00 0.00 C ATOM 706 OG SER A 49 -24.671 8.032 17.201 1.00 0.00 O ATOM 0 H SER A 49 -21.452 10.194 18.045 1.00 0.00 H new ATOM 0 HA SER A 49 -23.796 10.202 16.265 1.00 0.00 H new ATOM 0 HB2 SER A 49 -22.620 8.095 17.361 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.496 8.580 18.799 1.00 0.00 H new ATOM 0 HG SER A 49 -25.446 8.599 17.400 1.00 0.00 H new ATOM 712 N THR A 50 -23.656 12.099 18.632 1.00 0.00 N ATOM 713 CA THR A 50 -24.343 13.022 19.527 1.00 0.00 C ATOM 714 C THR A 50 -24.854 14.243 18.771 1.00 0.00 C ATOM 715 O THR A 50 -25.886 14.815 19.121 1.00 0.00 O ATOM 716 CB THR A 50 -23.420 13.488 20.668 1.00 0.00 C ATOM 717 OG1 THR A 50 -24.106 14.430 21.500 1.00 0.00 O ATOM 718 CG2 THR A 50 -22.152 14.122 20.115 1.00 0.00 C ATOM 0 H THR A 50 -22.714 12.389 18.369 1.00 0.00 H new ATOM 0 HA THR A 50 -25.189 12.481 19.951 1.00 0.00 H new ATOM 0 HB THR A 50 -23.143 12.615 21.260 1.00 0.00 H new ATOM 0 HG1 THR A 50 -23.513 14.720 22.224 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.516 14.443 20.940 1.00 0.00 H new ATOM 0 HG22 THR A 50 -21.616 13.393 19.506 1.00 0.00 H new ATOM 0 HG23 THR A 50 -22.414 14.984 19.502 1.00 0.00 H new ATOM 726 N LEU A 51 -24.126 14.637 17.732 1.00 0.00 N ATOM 727 CA LEU A 51 -24.506 15.791 16.925 1.00 0.00 C ATOM 728 C LEU A 51 -25.461 15.384 15.808 1.00 0.00 C ATOM 729 O LEU A 51 -25.572 14.205 15.473 1.00 0.00 O ATOM 730 CB LEU A 51 -23.263 16.456 16.331 1.00 0.00 C ATOM 731 CG LEU A 51 -23.364 17.959 16.073 1.00 0.00 C ATOM 732 CD1 LEU A 51 -23.195 18.736 17.369 1.00 0.00 C ATOM 733 CD2 LEU A 51 -22.326 18.395 15.049 1.00 0.00 C ATOM 0 H LEU A 51 -23.269 14.174 17.429 1.00 0.00 H new ATOM 0 HA LEU A 51 -25.016 16.503 17.573 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -22.424 16.279 17.004 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.026 15.961 15.389 1.00 0.00 H new ATOM 0 HG LEU A 51 -24.354 18.173 15.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -23.270 19.804 17.165 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -23.975 18.445 18.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.218 18.517 17.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -22.412 19.468 14.878 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.328 18.166 15.423 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -22.493 17.863 14.112 1.00 0.00 H new ATOM 745 N GLU A 52 -26.148 16.367 15.234 1.00 0.00 N ATOM 746 CA GLU A 52 -27.092 16.110 14.154 1.00 0.00 C ATOM 747 C GLU A 52 -26.368 15.986 12.816 1.00 0.00 C ATOM 748 O GLU A 52 -25.444 16.740 12.510 1.00 0.00 O ATOM 749 CB GLU A 52 -28.135 17.227 14.081 1.00 0.00 C ATOM 750 CG GLU A 52 -29.140 17.197 15.220 1.00 0.00 C ATOM 751 CD GLU A 52 -30.052 18.408 15.225 1.00 0.00 C ATOM 752 OE1 GLU A 52 -30.943 18.484 14.354 1.00 0.00 O ATOM 753 OE2 GLU A 52 -29.874 19.280 16.102 1.00 0.00 O ATOM 0 H GLU A 52 -26.068 17.349 15.499 1.00 0.00 H new ATOM 0 HA GLU A 52 -27.596 15.166 14.363 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -27.624 18.190 14.084 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -28.670 17.152 13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -29.744 16.293 15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -28.606 17.145 16.169 1.00 0.00 H new ATOM 760 N PRO A 53 -26.797 15.013 11.999 1.00 0.00 N ATOM 761 CA PRO A 53 -26.204 14.767 10.681 1.00 0.00 C ATOM 762 C PRO A 53 -26.524 15.877 9.686 1.00 0.00 C ATOM 763 O PRO A 53 -27.583 16.501 9.755 1.00 0.00 O ATOM 764 CB PRO A 53 -26.851 13.451 10.241 1.00 0.00 C ATOM 765 CG PRO A 53 -28.143 13.399 10.981 1.00 0.00 C ATOM 766 CD PRO A 53 -27.894 14.077 12.299 1.00 0.00 C ATOM 0 HA PRO A 53 -25.116 14.729 10.724 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -27.011 13.429 9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -26.219 12.597 10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -28.932 13.906 10.425 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -28.467 12.369 11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -28.782 14.599 12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -27.612 13.362 13.072 1.00 0.00 H new ATOM 774 N HIS A 54 -25.601 16.119 8.760 1.00 0.00 N ATOM 775 CA HIS A 54 -25.786 17.154 7.748 1.00 0.00 C ATOM 776 C HIS A 54 -26.614 16.629 6.579 1.00 0.00 C ATOM 777 O HIS A 54 -26.534 15.459 6.206 1.00 0.00 O ATOM 778 CB HIS A 54 -24.430 17.652 7.246 1.00 0.00 C ATOM 779 CG HIS A 54 -23.653 18.413 8.275 1.00 0.00 C ATOM 780 ND1 HIS A 54 -22.332 18.147 8.569 1.00 0.00 N ATOM 781 CD2 HIS A 54 -24.017 19.439 9.079 1.00 0.00 C ATOM 782 CE1 HIS A 54 -21.918 18.975 9.512 1.00 0.00 C ATOM 783 NE2 HIS A 54 -22.921 19.770 9.838 1.00 0.00 N ATOM 0 H HIS A 54 -24.718 15.613 8.689 1.00 0.00 H new ATOM 0 HA HIS A 54 -26.323 17.985 8.206 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -23.839 16.798 6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -24.586 18.289 6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.988 19.910 9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -20.928 18.998 9.943 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.887 20.510 10.540 1.00 0.00 H new ATOM 792 N PRO A 55 -27.430 17.515 5.988 1.00 0.00 N ATOM 793 CA PRO A 55 -28.288 17.164 4.853 1.00 0.00 C ATOM 794 C PRO A 55 -27.490 16.901 3.580 1.00 0.00 C ATOM 795 O PRO A 55 -28.057 16.598 2.531 1.00 0.00 O ATOM 796 CB PRO A 55 -29.174 18.400 4.682 1.00 0.00 C ATOM 797 CG PRO A 55 -28.375 19.520 5.254 1.00 0.00 C ATOM 798 CD PRO A 55 -27.576 18.926 6.380 1.00 0.00 C ATOM 0 HA PRO A 55 -28.845 16.245 5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -29.409 18.577 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -30.123 18.283 5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -27.721 19.958 4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -29.024 20.318 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -26.608 19.415 6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -28.092 19.026 7.335 1.00 0.00 H new ATOM 806 N ARG A 56 -26.170 17.020 3.681 1.00 0.00 N ATOM 807 CA ARG A 56 -25.293 16.796 2.538 1.00 0.00 C ATOM 808 C ARG A 56 -24.532 15.482 2.685 1.00 0.00 C ATOM 809 O ARG A 56 -23.849 15.240 3.680 1.00 0.00 O ATOM 810 CB ARG A 56 -24.306 17.956 2.390 1.00 0.00 C ATOM 811 CG ARG A 56 -24.819 19.085 1.512 1.00 0.00 C ATOM 812 CD ARG A 56 -23.677 19.827 0.835 1.00 0.00 C ATOM 813 NE ARG A 56 -24.120 21.081 0.233 1.00 0.00 N ATOM 814 CZ ARG A 56 -23.295 21.960 -0.326 1.00 0.00 C ATOM 815 NH1 ARG A 56 -21.991 21.722 -0.360 1.00 0.00 N ATOM 816 NH2 ARG A 56 -23.775 23.079 -0.853 1.00 0.00 N ATOM 0 H ARG A 56 -25.685 17.270 4.542 1.00 0.00 H new ATOM 0 HA ARG A 56 -25.912 16.738 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -24.074 18.353 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -23.373 17.577 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -25.492 18.682 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -25.400 19.782 2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -22.894 20.032 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -23.237 19.192 0.066 1.00 0.00 H new ATOM 0 HE ARG A 56 -25.117 21.294 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -21.619 20.862 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.360 22.399 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -24.778 23.265 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -23.141 23.753 -1.282 1.00 0.00 H new ATOM 830 N PRO A 57 -24.653 14.611 1.672 1.00 0.00 N ATOM 831 CA PRO A 57 -23.985 13.307 1.665 1.00 0.00 C ATOM 832 C PRO A 57 -22.473 13.431 1.507 1.00 0.00 C ATOM 833 O PRO A 57 -21.976 14.407 0.944 1.00 0.00 O ATOM 834 CB PRO A 57 -24.593 12.603 0.449 1.00 0.00 C ATOM 835 CG PRO A 57 -25.031 13.708 -0.449 1.00 0.00 C ATOM 836 CD PRO A 57 -25.452 14.834 0.455 1.00 0.00 C ATOM 0 HA PRO A 57 -24.130 12.770 2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -23.863 11.960 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -25.433 11.970 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -24.221 14.019 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.856 13.389 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.243 15.807 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -26.521 14.803 0.665 1.00 0.00 H new ATOM 844 N LEU A 58 -21.747 12.437 2.006 1.00 0.00 N ATOM 845 CA LEU A 58 -20.291 12.435 1.919 1.00 0.00 C ATOM 846 C LEU A 58 -19.796 11.246 1.102 1.00 0.00 C ATOM 847 O LEU A 58 -19.804 10.108 1.573 1.00 0.00 O ATOM 848 CB LEU A 58 -19.677 12.396 3.320 1.00 0.00 C ATOM 849 CG LEU A 58 -20.244 13.395 4.329 1.00 0.00 C ATOM 850 CD1 LEU A 58 -19.590 13.210 5.689 1.00 0.00 C ATOM 851 CD2 LEU A 58 -20.053 14.821 3.833 1.00 0.00 C ATOM 0 H LEU A 58 -22.143 11.622 2.475 1.00 0.00 H new ATOM 0 HA LEU A 58 -19.980 13.352 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.804 11.391 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.605 12.570 3.230 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.313 13.208 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.006 13.930 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.779 12.199 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.515 13.369 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -20.463 15.518 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.990 15.020 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.570 14.948 2.882 1.00 0.00 H new ATOM 863 N LEU A 59 -19.363 11.517 -0.124 1.00 0.00 N ATOM 864 CA LEU A 59 -18.861 10.470 -1.008 1.00 0.00 C ATOM 865 C LEU A 59 -17.628 9.799 -0.411 1.00 0.00 C ATOM 866 O LEU A 59 -16.796 10.455 0.216 1.00 0.00 O ATOM 867 CB LEU A 59 -18.525 11.052 -2.382 1.00 0.00 C ATOM 868 CG LEU A 59 -18.041 10.053 -3.434 1.00 0.00 C ATOM 869 CD1 LEU A 59 -19.136 9.050 -3.760 1.00 0.00 C ATOM 870 CD2 LEU A 59 -17.589 10.781 -4.691 1.00 0.00 C ATOM 0 H LEU A 59 -19.349 12.453 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 59 -19.642 9.718 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -19.412 11.555 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.757 11.815 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.189 9.509 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.774 8.347 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.412 8.506 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -20.008 9.577 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.248 10.055 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -18.423 11.351 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.772 11.459 -4.445 1.00 0.00 H new ATOM 882 N GLN A 60 -17.516 8.491 -0.614 1.00 0.00 N ATOM 883 CA GLN A 60 -16.383 7.732 -0.097 1.00 0.00 C ATOM 884 C GLN A 60 -15.393 7.406 -1.210 1.00 0.00 C ATOM 885 O GLN A 60 -15.770 7.298 -2.378 1.00 0.00 O ATOM 886 CB GLN A 60 -16.866 6.441 0.566 1.00 0.00 C ATOM 887 CG GLN A 60 -17.411 5.418 -0.418 1.00 0.00 C ATOM 888 CD GLN A 60 -18.412 4.474 0.216 1.00 0.00 C ATOM 889 OE1 GLN A 60 -18.639 4.512 1.426 1.00 0.00 O ATOM 890 NE2 GLN A 60 -19.019 3.619 -0.599 1.00 0.00 N ATOM 0 H GLN A 60 -18.195 7.934 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.876 8.346 0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -16.039 5.996 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -17.642 6.684 1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -17.885 5.937 -1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -16.584 4.840 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -18.801 3.622 -1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -19.703 2.960 -0.229 1.00 0.00 H new ATOM 899 N ARG A 61 -14.126 7.250 -0.842 1.00 0.00 N ATOM 900 CA ARG A 61 -13.081 6.938 -1.810 1.00 0.00 C ATOM 901 C ARG A 61 -12.116 5.896 -1.251 1.00 0.00 C ATOM 902 O ARG A 61 -12.073 5.660 -0.044 1.00 0.00 O ATOM 903 CB ARG A 61 -12.315 8.205 -2.192 1.00 0.00 C ATOM 904 CG ARG A 61 -13.215 9.375 -2.555 1.00 0.00 C ATOM 905 CD ARG A 61 -12.445 10.686 -2.571 1.00 0.00 C ATOM 906 NE ARG A 61 -12.439 11.335 -1.263 1.00 0.00 N ATOM 907 CZ ARG A 61 -13.536 11.766 -0.651 1.00 0.00 C ATOM 908 NH1 ARG A 61 -14.721 11.617 -1.227 1.00 0.00 N ATOM 909 NH2 ARG A 61 -13.450 12.345 0.539 1.00 0.00 N ATOM 0 H ARG A 61 -13.798 7.335 0.120 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.557 6.527 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.673 8.496 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.662 7.984 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.661 9.202 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.034 9.441 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.419 10.499 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.888 11.357 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.543 11.464 -0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.791 11.171 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.563 11.949 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.540 12.460 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.294 12.675 1.008 1.00 0.00 H new ATOM 923 N GLU A 62 -11.345 5.276 -2.139 1.00 0.00 N ATOM 924 CA GLU A 62 -10.382 4.258 -1.734 1.00 0.00 C ATOM 925 C GLU A 62 -9.200 4.213 -2.698 1.00 0.00 C ATOM 926 O GLU A 62 -9.321 4.589 -3.865 1.00 0.00 O ATOM 927 CB GLU A 62 -11.054 2.885 -1.669 1.00 0.00 C ATOM 928 CG GLU A 62 -11.544 2.383 -3.016 1.00 0.00 C ATOM 929 CD GLU A 62 -12.579 3.300 -3.639 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.599 3.579 -2.975 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.370 3.737 -4.790 1.00 0.00 O ATOM 0 H GLU A 62 -11.368 5.460 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.011 4.520 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.348 2.164 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.898 2.935 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.696 2.285 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.972 1.388 -2.895 1.00 0.00 H new ATOM 938 N LEU A 63 -8.057 3.751 -2.203 1.00 0.00 N ATOM 939 CA LEU A 63 -6.852 3.657 -3.019 1.00 0.00 C ATOM 940 C LEU A 63 -6.593 2.214 -3.442 1.00 0.00 C ATOM 941 O LEU A 63 -7.031 1.274 -2.780 1.00 0.00 O ATOM 942 CB LEU A 63 -5.647 4.199 -2.249 1.00 0.00 C ATOM 943 CG LEU A 63 -4.421 4.561 -3.089 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.738 5.716 -4.026 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.243 4.908 -2.191 1.00 0.00 C ATOM 0 H LEU A 63 -7.940 3.436 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.002 4.258 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.961 5.087 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.349 3.456 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.149 3.695 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.854 5.959 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.552 5.431 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.036 6.587 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.380 5.163 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.504 5.758 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.000 4.052 -1.562 1.00 0.00 H new ATOM 957 N MET A 64 -5.875 2.047 -4.549 1.00 0.00 N ATOM 958 CA MET A 64 -5.555 0.719 -5.058 1.00 0.00 C ATOM 959 C MET A 64 -4.049 0.554 -5.235 1.00 0.00 C ATOM 960 O MET A 64 -3.441 1.195 -6.093 1.00 0.00 O ATOM 961 CB MET A 64 -6.267 0.474 -6.390 1.00 0.00 C ATOM 962 CG MET A 64 -6.596 -0.988 -6.643 1.00 0.00 C ATOM 963 SD MET A 64 -8.213 -1.458 -5.999 1.00 0.00 S ATOM 964 CE MET A 64 -7.764 -2.806 -4.908 1.00 0.00 C ATOM 0 H MET A 64 -5.505 2.814 -5.110 1.00 0.00 H new ATOM 0 HA MET A 64 -5.900 -0.015 -4.330 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.189 1.055 -6.412 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.639 0.842 -7.201 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.566 -1.183 -7.715 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.831 -1.613 -6.184 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.659 -3.361 -4.628 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.069 -3.472 -5.420 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.290 -2.406 -4.012 1.00 0.00 H new ATOM 974 N VAL A 65 -3.452 -0.309 -4.419 1.00 0.00 N ATOM 975 CA VAL A 65 -2.017 -0.559 -4.486 1.00 0.00 C ATOM 976 C VAL A 65 -1.716 -2.052 -4.426 1.00 0.00 C ATOM 977 O VAL A 65 -2.311 -2.800 -3.650 1.00 0.00 O ATOM 978 CB VAL A 65 -1.270 0.151 -3.342 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.119 0.577 -3.795 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.068 1.347 -2.846 1.00 0.00 C ATOM 0 H VAL A 65 -3.940 -0.847 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.670 -0.160 -5.439 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.158 -0.550 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.632 1.077 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.689 -0.302 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.033 1.261 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.525 1.837 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.214 2.052 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.038 1.011 -2.480 1.00 0.00 H new ATOM 990 N PRO A 66 -0.769 -2.499 -5.264 1.00 0.00 N ATOM 991 CA PRO A 66 -0.366 -3.907 -5.325 1.00 0.00 C ATOM 992 C PRO A 66 0.393 -4.347 -4.078 1.00 0.00 C ATOM 993 O PRO A 66 1.115 -3.560 -3.468 1.00 0.00 O ATOM 994 CB PRO A 66 0.547 -3.962 -6.553 1.00 0.00 C ATOM 995 CG PRO A 66 1.078 -2.577 -6.693 1.00 0.00 C ATOM 996 CD PRO A 66 -0.018 -1.663 -6.217 1.00 0.00 C ATOM 0 HA PRO A 66 -1.226 -4.574 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.353 -4.683 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.004 -4.266 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.982 -2.444 -6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.342 -2.363 -7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.383 -0.770 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.648 -1.328 -7.041 1.00 0.00 H new ATOM 1004 N GLY A 67 0.224 -5.612 -3.703 1.00 0.00 N ATOM 1005 CA GLY A 67 0.899 -6.135 -2.530 1.00 0.00 C ATOM 1006 C GLY A 67 2.354 -5.714 -2.463 1.00 0.00 C ATOM 1007 O GLY A 67 2.867 -5.394 -1.390 1.00 0.00 O ATOM 0 H GLY A 67 -0.369 -6.284 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.383 -5.791 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.839 -7.223 -2.535 1.00 0.00 H new ATOM 1011 N THR A 68 3.022 -5.714 -3.612 1.00 0.00 N ATOM 1012 CA THR A 68 4.427 -5.332 -3.679 1.00 0.00 C ATOM 1013 C THR A 68 4.642 -3.927 -3.129 1.00 0.00 C ATOM 1014 O THR A 68 5.676 -3.637 -2.527 1.00 0.00 O ATOM 1015 CB THR A 68 4.957 -5.392 -5.124 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.386 -5.290 -5.126 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.362 -4.274 -5.965 1.00 0.00 C ATOM 0 H THR A 68 2.613 -5.974 -4.509 1.00 0.00 H new ATOM 0 HA THR A 68 4.978 -6.047 -3.068 1.00 0.00 H new ATOM 0 HB THR A 68 4.661 -6.347 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.716 -5.330 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.751 -4.337 -6.981 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.277 -4.372 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.631 -3.310 -5.532 1.00 0.00 H new ATOM 1025 N ARG A 69 3.658 -3.058 -3.337 1.00 0.00 N ATOM 1026 CA ARG A 69 3.740 -1.682 -2.862 1.00 0.00 C ATOM 1027 C ARG A 69 2.851 -1.475 -1.640 1.00 0.00 C ATOM 1028 O ARG A 69 1.671 -1.827 -1.651 1.00 0.00 O ATOM 1029 CB ARG A 69 3.334 -0.712 -3.973 1.00 0.00 C ATOM 1030 CG ARG A 69 4.512 -0.144 -4.747 1.00 0.00 C ATOM 1031 CD ARG A 69 4.112 1.085 -5.548 1.00 0.00 C ATOM 1032 NE ARG A 69 4.310 2.319 -4.793 1.00 0.00 N ATOM 1033 CZ ARG A 69 5.504 2.847 -4.547 1.00 0.00 C ATOM 1034 NH1 ARG A 69 6.600 2.251 -4.995 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.602 3.973 -3.851 1.00 0.00 N ATOM 0 H ARG A 69 2.795 -3.283 -3.831 1.00 0.00 H new ATOM 0 HA ARG A 69 4.773 -1.483 -2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.668 -1.226 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.767 0.110 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.312 0.117 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.908 -0.905 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.697 1.125 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.065 1.003 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 69 3.486 2.802 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.528 1.385 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.516 2.658 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.760 4.433 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.519 4.378 -3.662 1.00 0.00 H new ATOM 1049 N HIS A 70 3.425 -0.903 -0.587 1.00 0.00 N ATOM 1050 CA HIS A 70 2.684 -0.649 0.644 1.00 0.00 C ATOM 1051 C HIS A 70 2.681 0.840 0.978 1.00 0.00 C ATOM 1052 O HIS A 70 3.266 1.264 1.975 1.00 0.00 O ATOM 1053 CB HIS A 70 3.291 -1.442 1.802 1.00 0.00 C ATOM 1054 CG HIS A 70 3.782 -2.800 1.405 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.060 -3.032 0.941 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.160 -4.002 1.407 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.202 -4.317 0.673 1.00 0.00 C ATOM 1058 NE2 HIS A 70 4.064 -4.929 0.948 1.00 0.00 N ATOM 0 H HIS A 70 4.401 -0.606 -0.561 1.00 0.00 H new ATOM 0 HA HIS A 70 1.654 -0.972 0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.120 -0.874 2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.544 -1.550 2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.142 -4.196 1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.097 -4.788 0.293 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.886 -5.927 0.838 1.00 0.00 H new ATOM 1067 N SER A 71 2.018 1.629 0.138 1.00 0.00 N ATOM 1068 CA SER A 71 1.942 3.071 0.342 1.00 0.00 C ATOM 1069 C SER A 71 0.559 3.599 -0.025 1.00 0.00 C ATOM 1070 O SER A 71 -0.112 3.057 -0.902 1.00 0.00 O ATOM 1071 CB SER A 71 3.010 3.782 -0.492 1.00 0.00 C ATOM 1072 OG SER A 71 2.662 3.791 -1.865 1.00 0.00 O ATOM 0 H SER A 71 1.526 1.294 -0.690 1.00 0.00 H new ATOM 0 HA SER A 71 2.121 3.274 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.131 4.806 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.970 3.284 -0.360 1.00 0.00 H new ATOM 0 HG SER A 71 3.161 4.499 -2.324 1.00 0.00 H new ATOM 1078 N ALA A 72 0.139 4.662 0.654 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.163 5.266 0.399 1.00 0.00 C ATOM 1080 C ALA A 72 -1.146 6.758 0.712 1.00 0.00 C ATOM 1081 O ALA A 72 -0.839 7.165 1.833 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.238 4.566 1.216 1.00 0.00 C ATOM 0 H ALA A 72 0.682 5.122 1.385 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.391 5.146 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.205 5.027 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.275 3.512 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.005 4.657 2.277 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.476 7.571 -0.287 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.500 9.019 -0.118 1.00 0.00 C ATOM 1090 C VAL A 73 -2.882 9.586 -0.423 1.00 0.00 C ATOM 1091 O VAL A 73 -3.348 9.537 -1.562 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.464 9.707 -1.027 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.563 11.219 -0.902 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.941 9.227 -0.691 1.00 0.00 C ATOM 0 H VAL A 73 -1.730 7.251 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.250 9.220 0.924 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.679 9.438 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.177 11.687 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.561 11.544 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.376 11.512 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.660 9.723 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.168 9.465 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.002 8.149 -0.838 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.534 10.123 0.602 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.864 10.701 0.445 1.00 0.00 C ATOM 1106 C LEU A 74 -4.782 12.210 0.236 1.00 0.00 C ATOM 1107 O LEU A 74 -3.874 12.868 0.745 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.725 10.390 1.671 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.900 8.910 2.010 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.026 8.082 0.740 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.737 8.415 2.857 1.00 0.00 C ATOM 0 H LEU A 74 -3.163 10.170 1.551 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.324 10.256 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.287 10.891 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.712 10.826 1.517 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.818 8.796 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.150 7.031 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.892 8.419 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.126 8.202 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.879 7.359 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.805 8.544 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.693 8.987 3.784 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.736 12.751 -0.513 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.772 14.183 -0.788 1.00 0.00 C ATOM 1125 C ARG A 75 -7.162 14.753 -0.520 1.00 0.00 C ATOM 1126 O ARG A 75 -8.071 14.032 -0.109 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.368 14.455 -2.238 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.865 14.551 -2.444 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.489 14.346 -3.903 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.440 12.931 -4.262 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.959 12.481 -5.415 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.487 13.331 -6.317 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.949 11.179 -5.669 1.00 0.00 N ATOM 0 H ARG A 75 -6.495 12.220 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.062 14.674 -0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.763 13.661 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.831 15.385 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.512 15.527 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.364 13.803 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.212 14.856 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.518 14.802 -4.095 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.795 12.251 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.493 14.333 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.118 12.983 -7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.311 10.522 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.579 10.835 -6.555 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.318 16.051 -0.754 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.596 16.719 -0.538 1.00 0.00 C ATOM 1149 C ASP A 76 -9.123 16.443 0.866 1.00 0.00 C ATOM 1150 O ASP A 76 -10.327 16.282 1.069 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.618 16.259 -1.579 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.433 16.949 -2.916 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -8.270 17.135 -3.333 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -10.451 17.302 -3.547 1.00 0.00 O ATOM 0 H ASP A 76 -6.575 16.662 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.439 17.793 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.534 15.181 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.624 16.456 -1.208 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.214 16.389 1.834 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.587 16.131 3.220 1.00 0.00 C ATOM 1161 C LEU A 77 -8.881 17.434 3.956 1.00 0.00 C ATOM 1162 O LEU A 77 -8.689 18.522 3.413 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.470 15.369 3.936 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.907 14.154 3.198 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.806 13.496 4.015 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.014 13.156 2.891 1.00 0.00 C ATOM 0 H LEU A 77 -7.214 16.520 1.684 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.492 15.523 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.652 16.062 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.846 15.039 4.905 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.478 14.493 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.417 12.633 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.001 14.211 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.209 13.171 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.595 12.298 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.472 12.823 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.769 13.631 2.265 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.347 17.316 5.195 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.667 18.484 6.006 1.00 0.00 C ATOM 1180 C ARG A 78 -8.456 18.930 6.820 1.00 0.00 C ATOM 1181 O ARG A 78 -7.578 18.126 7.135 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.839 18.178 6.941 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.616 19.412 7.369 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.455 19.965 6.228 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.417 18.985 5.732 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.228 19.207 4.703 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.192 20.369 4.065 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.076 18.266 4.310 1.00 0.00 N ATOM 0 H ARG A 78 -9.511 16.423 5.659 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.950 19.294 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.518 17.486 6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.461 17.671 7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.263 19.162 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.922 20.178 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.986 20.855 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.800 20.275 5.413 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.469 18.081 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.541 21.095 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.816 20.537 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.106 17.371 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.698 18.438 3.520 1.00 0.00 H new ATOM 1202 N SER A 79 -8.416 20.215 7.158 1.00 0.00 N ATOM 1203 CA SER A 79 -7.311 20.768 7.931 1.00 0.00 C ATOM 1204 C SER A 79 -7.513 20.519 9.423 1.00 0.00 C ATOM 1205 O SER A 79 -8.622 20.643 9.939 1.00 0.00 O ATOM 1206 CB SER A 79 -7.176 22.269 7.667 1.00 0.00 C ATOM 1207 OG SER A 79 -8.209 22.994 8.310 1.00 0.00 O ATOM 0 H SER A 79 -9.137 20.892 6.908 1.00 0.00 H new ATOM 0 HA SER A 79 -6.395 20.267 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.207 22.618 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.209 22.457 6.594 1.00 0.00 H new ATOM 0 HG SER A 79 -8.100 23.951 8.128 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.431 20.165 10.110 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.510 19.903 11.535 1.00 0.00 C ATOM 1215 C GLY A 80 -7.704 19.045 11.902 1.00 0.00 C ATOM 1216 O GLY A 80 -8.483 19.397 12.789 1.00 0.00 O ATOM 0 H GLY A 80 -5.501 20.055 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.596 19.407 11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.568 20.849 12.073 1.00 0.00 H new ATOM 1220 N THR A 81 -7.853 17.916 11.217 1.00 0.00 N ATOM 1221 CA THR A 81 -8.963 17.007 11.473 1.00 0.00 C ATOM 1222 C THR A 81 -8.486 15.560 11.532 1.00 0.00 C ATOM 1223 O THR A 81 -7.538 15.179 10.845 1.00 0.00 O ATOM 1224 CB THR A 81 -10.053 17.132 10.392 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.308 18.513 10.112 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.339 16.454 10.839 1.00 0.00 C ATOM 0 H THR A 81 -7.218 17.609 10.480 1.00 0.00 H new ATOM 0 HA THR A 81 -9.385 17.288 12.438 1.00 0.00 H new ATOM 0 HB THR A 81 -9.696 16.638 9.488 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.458 18.981 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.094 16.556 10.059 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.148 15.397 11.024 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.698 16.923 11.755 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.149 14.757 12.357 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.793 13.350 12.506 1.00 0.00 C ATOM 1236 C LEU A 82 -9.518 12.493 11.473 1.00 0.00 C ATOM 1237 O LEU A 82 -10.741 12.560 11.344 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.131 12.864 13.917 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.413 11.596 14.380 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.742 10.430 13.460 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.909 11.825 14.437 1.00 0.00 C ATOM 0 H LEU A 82 -9.936 15.056 12.933 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.720 13.253 12.343 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.902 13.665 14.620 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.206 12.690 13.972 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.761 11.350 15.383 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.222 9.536 13.805 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.817 10.251 13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.423 10.666 12.445 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.414 10.912 14.768 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.544 12.096 13.446 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.690 12.631 15.137 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.757 11.686 10.742 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.327 10.816 9.721 1.00 0.00 C ATOM 1255 C TYR A 83 -9.177 9.348 10.110 1.00 0.00 C ATOM 1256 O TYR A 83 -8.198 8.961 10.748 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.653 11.068 8.371 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.263 12.214 7.595 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -8.813 13.516 7.772 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.289 11.993 6.684 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.368 14.566 7.066 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.848 13.037 5.972 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.385 14.321 6.167 1.00 0.00 C ATOM 1264 OH TYR A 83 -10.939 15.364 5.460 1.00 0.00 O ATOM 0 H TYR A 83 -7.744 11.616 10.838 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.389 11.045 9.638 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.595 11.273 8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.712 10.161 7.770 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.015 13.711 8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.655 10.989 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.008 15.573 7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.644 12.848 5.266 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.642 15.022 4.869 1.00 0.00 H new ATOM 1274 N SER A 84 -10.154 8.536 9.720 1.00 0.00 N ATOM 1275 CA SER A 84 -10.134 7.111 10.030 1.00 0.00 C ATOM 1276 C SER A 84 -9.763 6.293 8.798 1.00 0.00 C ATOM 1277 O SER A 84 -10.559 6.153 7.868 1.00 0.00 O ATOM 1278 CB SER A 84 -11.496 6.664 10.563 1.00 0.00 C ATOM 1279 OG SER A 84 -11.507 5.273 10.833 1.00 0.00 O ATOM 0 H SER A 84 -10.970 8.840 9.189 1.00 0.00 H new ATOM 0 HA SER A 84 -9.379 6.942 10.798 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.733 7.216 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.271 6.902 9.835 1.00 0.00 H new ATOM 0 HG SER A 84 -12.388 5.013 11.174 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.549 5.753 8.797 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.071 4.947 7.679 1.00 0.00 C ATOM 1287 C LEU A 85 -8.157 3.459 8.003 1.00 0.00 C ATOM 1288 O LEU A 85 -7.958 3.049 9.147 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.628 5.322 7.334 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.255 6.794 7.521 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.744 6.956 7.590 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.832 7.637 6.393 1.00 0.00 C ATOM 0 H LEU A 85 -7.878 5.859 9.558 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.709 5.150 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.960 4.718 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.441 5.049 6.295 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.681 7.141 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.497 8.009 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.355 6.383 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.296 6.592 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.557 8.681 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.435 7.290 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.918 7.545 6.389 1.00 0.00 H new ATOM 1304 N THR A 86 -8.455 2.654 6.989 1.00 0.00 N ATOM 1305 CA THR A 86 -8.567 1.211 7.165 1.00 0.00 C ATOM 1306 C THR A 86 -8.098 0.467 5.920 1.00 0.00 C ATOM 1307 O THR A 86 -8.735 0.533 4.868 1.00 0.00 O ATOM 1308 CB THR A 86 -10.015 0.795 7.484 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.552 1.636 8.511 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.076 -0.659 7.927 1.00 0.00 C ATOM 0 H THR A 86 -8.623 2.977 6.036 1.00 0.00 H new ATOM 0 HA THR A 86 -7.927 0.944 8.006 1.00 0.00 H new ATOM 0 HB THR A 86 -10.609 0.906 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.473 1.366 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.109 -0.929 8.147 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.695 -1.298 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.468 -0.793 8.822 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.981 -0.242 6.046 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.427 -1.000 4.930 1.00 0.00 C ATOM 1320 C LEU A 87 -7.040 -2.396 4.863 1.00 0.00 C ATOM 1321 O LEU A 87 -7.427 -2.965 5.884 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.907 -1.104 5.063 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.141 -1.424 3.779 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.285 -0.291 2.775 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.673 -1.685 4.085 1.00 0.00 C ATOM 0 H LEU A 87 -6.442 -0.307 6.909 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.669 -0.472 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.532 -0.161 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.679 -1.874 5.800 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.566 -2.327 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.733 -0.537 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.338 -0.151 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.887 0.628 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.143 -1.911 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.235 -0.800 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.588 -2.531 4.768 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.123 -2.942 3.655 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.688 -4.271 3.454 1.00 0.00 C ATOM 1339 C TYR A 88 -6.775 -5.125 2.580 1.00 0.00 C ATOM 1340 O TYR A 88 -6.598 -4.851 1.394 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.074 -4.167 2.815 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.140 -3.661 3.759 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.662 -4.479 4.753 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.625 -2.363 3.658 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.636 -4.021 5.618 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.599 -1.895 4.520 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.102 -2.728 5.497 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.072 -2.267 6.357 1.00 0.00 O ATOM 0 H TYR A 88 -6.806 -2.485 2.800 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.779 -4.751 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.018 -3.502 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.367 -5.148 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.299 -5.492 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.234 -1.708 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.031 -4.671 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.964 -0.883 4.429 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.288 -1.337 6.138 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.197 -6.163 3.176 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.309 -7.043 2.439 1.00 0.00 C ATOM 1360 C GLY A 89 -6.060 -7.983 1.516 1.00 0.00 C ATOM 1361 O GLY A 89 -6.343 -9.126 1.878 1.00 0.00 O ATOM 0 H GLY A 89 -6.328 -6.410 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.612 -6.444 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.715 -7.627 3.142 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.385 -7.502 0.321 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.109 -8.306 -0.657 1.00 0.00 C ATOM 1367 C LEU A 90 -6.273 -9.500 -1.106 1.00 0.00 C ATOM 1368 O LEU A 90 -5.318 -9.350 -1.869 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.491 -7.452 -1.867 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.832 -6.722 -1.776 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.973 -7.716 -1.635 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.828 -5.743 -0.611 1.00 0.00 C ATOM 0 H LEU A 90 -6.158 -6.559 0.006 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.017 -8.679 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.707 -6.712 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.508 -8.093 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.980 -6.159 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.919 -7.178 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.989 -8.377 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.831 -8.307 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.790 -5.233 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.656 -6.285 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.035 -5.009 -0.755 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.639 -10.686 -0.630 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.923 -11.905 -0.984 1.00 0.00 C ATOM 1386 C ARG A 91 -6.470 -12.500 -2.278 1.00 0.00 C ATOM 1387 O ARG A 91 -6.257 -13.676 -2.571 1.00 0.00 O ATOM 1388 CB ARG A 91 -6.030 -12.931 0.146 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.826 -13.852 0.249 1.00 0.00 C ATOM 1390 CD ARG A 91 -5.014 -15.109 -0.586 1.00 0.00 C ATOM 1391 NE ARG A 91 -4.225 -16.228 -0.076 1.00 0.00 N ATOM 1392 CZ ARG A 91 -4.130 -17.401 -0.692 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -4.770 -17.608 -1.835 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -3.392 -18.370 -0.166 1.00 0.00 N ATOM 0 H ARG A 91 -7.427 -10.828 0.002 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.874 -11.649 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.156 -12.405 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.926 -13.533 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.933 -13.323 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.665 -14.127 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.069 -15.384 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.729 -14.905 -1.618 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.720 -16.102 0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.337 -16.865 -2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.695 -18.510 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.897 -18.215 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.320 -19.270 -0.640 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.175 -11.679 -3.050 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.742 -12.142 -4.303 1.00 0.00 C ATOM 1410 C GLY A 92 -9.212 -11.798 -4.437 1.00 0.00 C ATOM 1411 O GLY A 92 -9.581 -10.660 -4.728 1.00 0.00 O ATOM 0 H GLY A 92 -7.364 -10.701 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.191 -11.699 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.617 -13.222 -4.378 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.080 -12.798 -4.224 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.532 -12.620 -4.318 1.00 0.00 C ATOM 1417 C PRO A 93 -12.086 -11.766 -3.183 1.00 0.00 C ATOM 1418 O PRO A 93 -12.811 -10.798 -3.417 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.071 -14.049 -4.224 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.022 -14.802 -3.482 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.710 -14.180 -3.873 1.00 0.00 C ATOM 0 HA PRO A 93 -11.821 -12.100 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.026 -14.078 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.239 -14.475 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.181 -14.734 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.045 -15.860 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.992 -14.208 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.254 -14.700 -4.715 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.740 -12.129 -1.952 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.203 -11.395 -0.780 1.00 0.00 C ATOM 1431 C HIS A 94 -11.026 -10.965 0.092 1.00 0.00 C ATOM 1432 O HIS A 94 -9.942 -11.545 0.020 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.170 -12.252 0.036 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.335 -12.760 -0.756 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.568 -12.143 -0.764 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -14.449 -13.834 -1.573 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.390 -12.815 -1.549 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -15.736 -13.846 -2.053 1.00 0.00 N ATOM 0 H HIS A 94 -11.141 -12.927 -1.740 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.723 -10.501 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.627 -13.100 0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.541 -11.666 0.877 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.673 -14.548 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.422 -12.564 -1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.123 -14.538 -2.694 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.246 -9.945 0.913 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.206 -9.436 1.799 1.00 0.00 C ATOM 1449 C LYS A 95 -9.775 -10.503 2.801 1.00 0.00 C ATOM 1450 O LYS A 95 -10.599 -11.274 3.293 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.702 -8.194 2.543 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.323 -7.149 1.633 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.363 -6.319 2.367 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.180 -5.471 1.404 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.310 -6.238 0.811 1.00 0.00 N ATOM 0 H LYS A 95 -12.137 -9.453 0.984 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.345 -9.166 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.437 -8.497 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.867 -7.745 3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.543 -6.495 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.786 -7.639 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.027 -6.978 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.869 -5.673 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.569 -4.599 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.534 -5.102 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.842 -5.625 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.938 -7.057 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.941 -6.569 1.569 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.481 -10.541 3.099 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.942 -11.511 4.045 1.00 0.00 C ATOM 1471 C ALA A 96 -7.638 -10.857 5.388 1.00 0.00 C ATOM 1472 O ALA A 96 -7.982 -11.392 6.442 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.690 -12.162 3.477 1.00 0.00 C ATOM 0 H ALA A 96 -7.786 -9.911 2.699 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.696 -12.281 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.298 -12.884 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.936 -12.672 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.938 -11.397 3.284 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.991 -9.698 5.344 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.641 -8.970 6.558 1.00 0.00 C ATOM 1481 C ASP A 97 -7.107 -7.520 6.477 1.00 0.00 C ATOM 1482 O ASP A 97 -7.437 -7.023 5.400 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.130 -9.021 6.791 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.734 -8.469 8.147 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.430 -8.775 9.138 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.729 -7.732 8.216 1.00 0.00 O ATOM 0 H ASP A 97 -6.698 -9.242 4.480 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.147 -9.448 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.787 -10.052 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.625 -8.453 6.009 1.00 0.00 H new ATOM 1491 N SER A 98 -7.131 -6.846 7.622 1.00 0.00 N ATOM 1492 CA SER A 98 -7.561 -5.454 7.681 1.00 0.00 C ATOM 1493 C SER A 98 -6.944 -4.745 8.883 1.00 0.00 C ATOM 1494 O SER A 98 -7.008 -5.240 10.009 1.00 0.00 O ATOM 1495 CB SER A 98 -9.087 -5.372 7.754 1.00 0.00 C ATOM 1496 OG SER A 98 -9.580 -6.054 8.895 1.00 0.00 O ATOM 0 H SER A 98 -6.858 -7.241 8.522 1.00 0.00 H new ATOM 0 HA SER A 98 -7.221 -4.956 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.397 -4.328 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.521 -5.804 6.852 1.00 0.00 H new ATOM 0 HG SER A 98 -8.984 -5.892 9.656 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.348 -3.584 8.635 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.720 -2.806 9.696 1.00 0.00 C ATOM 1504 C ILE A 99 -6.369 -1.433 9.828 1.00 0.00 C ATOM 1505 O ILE A 99 -7.044 -0.964 8.912 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.211 -2.627 9.446 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.524 -2.086 10.702 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.978 -1.696 8.265 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.045 -2.396 10.762 1.00 0.00 C ATOM 0 H ILE A 99 -6.287 -3.161 7.709 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.862 -3.363 10.622 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.778 -3.599 9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.663 -1.006 10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.011 -2.506 11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.907 -1.579 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.439 -2.119 7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.421 -0.723 8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.624 -1.983 11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.899 -3.476 10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.545 -1.953 9.901 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.158 -0.792 10.974 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.722 0.529 11.225 1.00 0.00 C ATOM 1523 C GLN A 100 -5.623 1.538 11.543 1.00 0.00 C ATOM 1524 O GLN A 100 -4.873 1.371 12.504 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.725 0.468 12.378 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.107 -0.005 11.958 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.919 -0.541 13.120 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.421 -0.654 14.241 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.177 -0.876 12.859 1.00 0.00 N ATOM 0 H GLN A 100 -5.601 -1.166 11.742 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.238 0.854 10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.340 -0.200 13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.810 1.457 12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.645 0.822 11.495 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.006 -0.783 11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.549 -0.766 11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.772 -1.243 13.602 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.535 2.586 10.729 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.525 3.606 10.941 1.00 0.00 C ATOM 1540 C GLY A 101 -5.120 4.996 11.057 1.00 0.00 C ATOM 1541 O GLY A 101 -5.714 5.507 10.108 1.00 0.00 O ATOM 0 H GLY A 101 -6.145 2.746 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.966 3.377 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.814 3.586 10.115 1.00 0.00 H new ATOM 1545 N THR A 102 -4.962 5.610 12.226 1.00 0.00 N ATOM 1546 CA THR A 102 -5.490 6.947 12.464 1.00 0.00 C ATOM 1547 C THR A 102 -4.395 8.001 12.340 1.00 0.00 C ATOM 1548 O THR A 102 -3.239 7.750 12.677 1.00 0.00 O ATOM 1549 CB THR A 102 -6.136 7.055 13.859 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.329 6.374 14.826 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.538 6.464 13.853 1.00 0.00 C ATOM 0 H THR A 102 -4.472 5.202 13.022 1.00 0.00 H new ATOM 0 HA THR A 102 -6.251 7.127 11.704 1.00 0.00 H new ATOM 0 HB THR A 102 -6.205 8.110 14.123 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.745 6.449 15.710 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.974 6.551 14.848 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.157 7.004 13.137 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.488 5.413 13.570 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.768 9.180 11.856 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.818 10.273 11.690 1.00 0.00 C ATOM 1561 C ALA A 103 -4.529 11.622 11.684 1.00 0.00 C ATOM 1562 O ALA A 103 -5.646 11.744 11.180 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.020 10.089 10.408 1.00 0.00 C ATOM 0 H ALA A 103 -5.722 9.403 11.572 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.132 10.257 12.537 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.315 10.913 10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.474 9.147 10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.699 10.076 9.555 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.875 12.633 12.248 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.446 13.973 12.309 1.00 0.00 C ATOM 1571 C ARG A 104 -3.709 14.921 11.368 1.00 0.00 C ATOM 1572 O ARG A 104 -2.505 15.140 11.507 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.389 14.510 13.740 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.325 15.682 13.989 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.040 16.348 15.326 1.00 0.00 C ATOM 1576 NE ARG A 104 -5.692 17.650 15.438 1.00 0.00 N ATOM 1577 CZ ARG A 104 -6.969 17.807 15.765 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -7.729 16.748 16.011 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.490 19.024 15.847 1.00 0.00 N ATOM 0 H ARG A 104 -2.950 12.549 12.669 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.487 13.912 11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.637 13.705 14.431 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.368 14.818 13.963 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.217 16.412 13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.358 15.335 13.967 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.382 15.701 16.134 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.964 16.470 15.448 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.135 18.485 15.255 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.332 15.810 15.949 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.710 16.871 16.262 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.909 19.841 15.659 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.471 19.143 16.098 1.00 0.00 H new ATOM 1593 N THR A 105 -4.439 15.483 10.410 1.00 0.00 N ATOM 1594 CA THR A 105 -3.855 16.406 9.445 1.00 0.00 C ATOM 1595 C THR A 105 -3.447 17.714 10.114 1.00 0.00 C ATOM 1596 O THR A 105 -3.870 18.010 11.232 1.00 0.00 O ATOM 1597 CB THR A 105 -4.835 16.714 8.297 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.103 17.113 8.829 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.015 15.499 7.400 1.00 0.00 C ATOM 0 H THR A 105 -5.437 15.315 10.282 1.00 0.00 H new ATOM 0 HA THR A 105 -2.970 15.918 9.036 1.00 0.00 H new ATOM 0 HB THR A 105 -4.420 17.527 7.702 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.779 17.082 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.711 15.740 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.053 15.216 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.410 14.669 7.986 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.623 18.494 9.422 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.158 19.773 9.949 1.00 0.00 C ATOM 1609 C LEU A 106 -3.103 20.902 9.552 1.00 0.00 C ATOM 1610 O LEU A 106 -3.784 20.824 8.529 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.746 20.072 9.443 1.00 0.00 C ATOM 1612 CG LEU A 106 0.333 19.059 9.827 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.640 19.377 9.117 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.535 19.041 11.335 1.00 0.00 C ATOM 0 H LEU A 106 -2.263 18.264 8.496 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.141 19.705 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.779 20.143 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.447 21.051 9.818 1.00 0.00 H new ATOM 0 HG LEU A 106 0.003 18.069 9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.396 18.646 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.487 19.339 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.975 20.375 9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.306 18.314 11.590 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.843 20.031 11.673 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.399 18.765 11.824 1.00 0.00 H new ATOM 1626 N SER A 107 -3.138 21.952 10.366 1.00 0.00 N ATOM 1627 CA SER A 107 -4.000 23.097 10.100 1.00 0.00 C ATOM 1628 C SER A 107 -3.431 23.957 8.976 1.00 0.00 C ATOM 1629 O SER A 107 -4.170 24.475 8.140 1.00 0.00 O ATOM 1630 CB SER A 107 -4.170 23.940 11.366 1.00 0.00 C ATOM 1631 OG SER A 107 -5.025 25.046 11.131 1.00 0.00 O ATOM 0 H SER A 107 -2.579 22.033 11.215 1.00 0.00 H new ATOM 0 HA SER A 107 -4.975 22.721 9.788 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.580 23.323 12.165 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.196 24.294 11.704 1.00 0.00 H new ATOM 0 HG SER A 107 -5.119 25.568 11.955 1.00 0.00 H new ATOM 1637 N GLY A 108 -2.109 24.104 8.963 1.00 0.00 N ATOM 1638 CA GLY A 108 -1.461 24.902 7.938 1.00 0.00 C ATOM 1639 C GLY A 108 -1.449 26.380 8.275 1.00 0.00 C ATOM 1640 O GLY A 108 -2.028 26.816 9.270 1.00 0.00 O ATOM 0 H GLY A 108 -1.476 23.685 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.436 24.555 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.974 24.753 6.988 1.00 0.00 H new ATOM 1644 N PRO A 109 -0.774 27.177 7.433 1.00 0.00 N ATOM 1645 CA PRO A 109 -0.672 28.626 7.627 1.00 0.00 C ATOM 1646 C PRO A 109 -2.000 29.338 7.392 1.00 0.00 C ATOM 1647 O PRO A 109 -2.321 30.314 8.071 1.00 0.00 O ATOM 1648 CB PRO A 109 0.356 29.053 6.576 1.00 0.00 C ATOM 1649 CG PRO A 109 0.271 28.008 5.517 1.00 0.00 C ATOM 1650 CD PRO A 109 -0.060 26.725 6.227 1.00 0.00 C ATOM 0 HA PRO A 109 -0.390 28.881 8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.127 30.041 6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 109 1.358 29.105 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.496 28.257 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 109 1.214 27.923 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.682 26.074 5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.839 26.162 6.479 1.00 0.00 H new ATOM 1658 N SER A 110 -2.769 28.844 6.428 1.00 0.00 N ATOM 1659 CA SER A 110 -4.061 29.435 6.101 1.00 0.00 C ATOM 1660 C SER A 110 -5.067 29.193 7.223 1.00 0.00 C ATOM 1661 O SER A 110 -5.758 28.174 7.244 1.00 0.00 O ATOM 1662 CB SER A 110 -4.594 28.856 4.789 1.00 0.00 C ATOM 1663 OG SER A 110 -4.821 27.462 4.902 1.00 0.00 O ATOM 0 H SER A 110 -2.520 28.035 5.859 1.00 0.00 H new ATOM 0 HA SER A 110 -3.923 30.510 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.523 29.358 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.881 29.048 3.987 1.00 0.00 H new ATOM 0 HG SER A 110 -5.270 27.271 5.752 1.00 0.00 H new ATOM 1669 N SER A 111 -5.144 30.139 8.154 1.00 0.00 N ATOM 1670 CA SER A 111 -6.063 30.029 9.281 1.00 0.00 C ATOM 1671 C SER A 111 -7.036 31.204 9.305 1.00 0.00 C ATOM 1672 O SER A 111 -6.929 32.130 8.503 1.00 0.00 O ATOM 1673 CB SER A 111 -5.284 29.970 10.596 1.00 0.00 C ATOM 1674 OG SER A 111 -4.627 31.198 10.856 1.00 0.00 O ATOM 0 H SER A 111 -4.581 30.990 8.150 1.00 0.00 H new ATOM 0 HA SER A 111 -6.635 29.109 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.965 29.738 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.551 29.164 10.552 1.00 0.00 H new ATOM 0 HG SER A 111 -4.138 31.134 11.703 1.00 0.00 H new ATOM 1680 N GLY A 112 -7.987 31.157 10.233 1.00 0.00 N ATOM 1681 CA GLY A 112 -8.966 32.222 10.346 1.00 0.00 C ATOM 1682 C GLY A 112 -9.238 32.609 11.786 1.00 0.00 C ATOM 1683 O GLY A 112 -10.271 33.206 12.091 1.00 0.00 O ATOM 0 H GLY A 112 -8.097 30.400 10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.612 33.096 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.897 31.907 9.876 1.00 0.00 H new TER 1687 GLY A 112