USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot -24:sc= 1.06 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.53 K(o=2.6,f=-7.6!) USER MOD Single : A 30 SER OG : rot 150:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 170:sc= -0.481 USER MOD Single : A 44 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.23) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -115:sc= -0.0655 (180deg=-0.387) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.0322 K(o=0.032,f=-1.9) USER MOD Single : A 65 SER OG : rot -26:sc= 0.775 USER MOD Single : A 67 THR OG1 : rot -87:sc= 0.923 USER MOD Single : A 68 ASN : amide:sc= 0.516 K(o=0.52,f=-2) USER MOD Single : A 69 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.4!) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 1.05 (180deg=1.03) USER MOD Single : A 74 THR OG1 : rot 163:sc= 0.772 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=-0.0067) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 95 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.2) USER MOD Single : A 101 SER OG : rot 160:sc= 0.27 USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= 0.712 (180deg=0.471) USER MOD Single : A 107 ASN : amide:sc= -0.0489 K(o=-0.049,f=-1.9!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -1.111 -23.193 1.525 1.00 0.00 N ATOM 2 CA GLY A 29 0.212 -22.993 0.964 1.00 0.00 C ATOM 3 C GLY A 29 0.328 -21.687 0.202 1.00 0.00 C ATOM 4 O GLY A 29 0.154 -21.653 -1.016 1.00 0.00 O ATOM 0 HA2 GLY A 29 0.950 -23.009 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.449 -23.822 0.297 1.00 0.00 H new ATOM 10 N SER A 30 0.621 -20.608 0.921 1.00 0.00 N ATOM 11 CA SER A 30 0.550 -19.269 0.351 1.00 0.00 C ATOM 12 C SER A 30 1.391 -19.172 -0.919 1.00 0.00 C ATOM 13 O SER A 30 1.059 -18.428 -1.840 1.00 0.00 O ATOM 14 CB SER A 30 1.007 -18.242 1.369 1.00 0.00 C ATOM 15 OG SER A 30 0.134 -18.158 2.461 1.00 0.00 O ATOM 0 H SER A 30 0.910 -20.636 1.899 1.00 0.00 H new ATOM 0 HA SER A 30 -0.487 -19.064 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.005 -18.502 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.082 -17.266 0.890 1.00 0.00 H new ATOM 0 HG SER A 30 0.636 -17.900 3.262 1.00 0.00 H new ATOM 21 N GLU A 31 2.482 -19.932 -0.957 1.00 0.00 N ATOM 22 CA GLU A 31 3.480 -19.779 -2.010 1.00 0.00 C ATOM 23 C GLU A 31 2.941 -20.271 -3.348 1.00 0.00 C ATOM 24 O GLU A 31 2.366 -21.356 -3.436 1.00 0.00 O ATOM 25 CB GLU A 31 4.762 -20.532 -1.646 1.00 0.00 C ATOM 26 CG GLU A 31 5.895 -20.363 -2.649 1.00 0.00 C ATOM 27 CD GLU A 31 7.127 -21.105 -2.210 1.00 0.00 C ATOM 28 OE1 GLU A 31 7.082 -21.740 -1.185 1.00 0.00 O ATOM 29 OE2 GLU A 31 8.078 -21.129 -2.956 1.00 0.00 O ATOM 0 H GLU A 31 2.697 -20.658 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 31 3.711 -18.718 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.104 -20.192 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.532 -21.593 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.577 -20.728 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.127 -19.304 -2.764 1.00 0.00 H new ATOM 36 N GLU A 32 3.130 -19.466 -4.389 1.00 0.00 N ATOM 37 CA GLU A 32 2.216 -19.459 -5.525 1.00 0.00 C ATOM 38 C GLU A 32 2.984 -19.567 -6.841 1.00 0.00 C ATOM 39 O GLU A 32 3.291 -18.560 -7.478 1.00 0.00 O ATOM 40 CB GLU A 32 1.356 -18.193 -5.519 1.00 0.00 C ATOM 41 CG GLU A 32 0.249 -18.178 -6.561 1.00 0.00 C ATOM 42 CD GLU A 32 -0.562 -16.915 -6.479 1.00 0.00 C ATOM 43 OE1 GLU A 32 -0.253 -16.085 -5.659 1.00 0.00 O ATOM 44 OE2 GLU A 32 -1.420 -16.728 -7.310 1.00 0.00 O ATOM 0 H GLU A 32 3.907 -18.811 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 32 1.561 -20.326 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.910 -18.077 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.002 -17.330 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.683 -18.270 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.402 -19.040 -6.416 1.00 0.00 H new ATOM 51 N LYS A 33 3.291 -20.798 -7.240 1.00 0.00 N ATOM 52 CA LYS A 33 3.941 -21.046 -8.520 1.00 0.00 C ATOM 53 C LYS A 33 2.908 -21.311 -9.612 1.00 0.00 C ATOM 54 O LYS A 33 2.548 -22.459 -9.871 1.00 0.00 O ATOM 55 CB LYS A 33 4.910 -22.225 -8.412 1.00 0.00 C ATOM 56 CG LYS A 33 6.095 -21.982 -7.488 1.00 0.00 C ATOM 57 CD LYS A 33 6.973 -23.220 -7.376 1.00 0.00 C ATOM 58 CE LYS A 33 8.175 -22.968 -6.477 1.00 0.00 C ATOM 59 NZ LYS A 33 9.134 -24.106 -6.500 1.00 0.00 N ATOM 0 H LYS A 33 3.100 -21.638 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 33 4.506 -20.153 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.362 -23.099 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.284 -22.465 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.686 -21.147 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.735 -21.698 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.387 -24.049 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.314 -23.517 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.683 -22.058 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.835 -22.800 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.938 -23.895 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.657 -24.969 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.478 -24.250 -7.471 1.00 0.00 H new ATOM 73 N GLU A 34 2.438 -20.243 -10.249 1.00 0.00 N ATOM 74 CA GLU A 34 1.474 -20.364 -11.336 1.00 0.00 C ATOM 75 C GLU A 34 1.751 -19.335 -12.427 1.00 0.00 C ATOM 76 O GLU A 34 2.698 -19.477 -13.199 1.00 0.00 O ATOM 77 CB GLU A 34 0.047 -20.203 -10.807 1.00 0.00 C ATOM 78 CG GLU A 34 -0.420 -21.332 -9.899 1.00 0.00 C ATOM 79 CD GLU A 34 -1.810 -21.082 -9.388 1.00 0.00 C ATOM 80 OE1 GLU A 34 -2.363 -20.054 -9.699 1.00 0.00 O ATOM 81 OE2 GLU A 34 -2.366 -21.966 -8.777 1.00 0.00 O ATOM 0 H GLU A 34 2.709 -19.284 -10.031 1.00 0.00 H new ATOM 0 HA GLU A 34 1.577 -21.359 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.021 -19.262 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.635 -20.129 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.395 -22.275 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.266 -21.433 -9.058 1.00 0.00 H new ATOM 88 N GLU A 35 0.917 -18.302 -12.483 1.00 0.00 N ATOM 89 CA GLU A 35 1.169 -17.166 -13.362 1.00 0.00 C ATOM 90 C GLU A 35 1.091 -15.853 -12.589 1.00 0.00 C ATOM 91 O GLU A 35 0.300 -15.714 -11.654 1.00 0.00 O ATOM 92 CB GLU A 35 0.173 -17.156 -14.524 1.00 0.00 C ATOM 93 CG GLU A 35 0.290 -18.348 -15.463 1.00 0.00 C ATOM 94 CD GLU A 35 -0.708 -18.261 -16.584 1.00 0.00 C ATOM 95 OE1 GLU A 35 -1.477 -17.330 -16.598 1.00 0.00 O ATOM 96 OE2 GLU A 35 -0.628 -19.060 -17.487 1.00 0.00 O ATOM 0 H GLU A 35 0.062 -18.228 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 35 2.177 -17.268 -13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.839 -17.126 -14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.314 -16.241 -15.099 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.299 -18.392 -15.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.133 -19.271 -14.904 1.00 0.00 H new ATOM 103 N LYS A 36 1.917 -14.890 -12.983 1.00 0.00 N ATOM 104 CA LYS A 36 2.050 -13.643 -12.241 1.00 0.00 C ATOM 105 C LYS A 36 1.166 -12.554 -12.843 1.00 0.00 C ATOM 106 O LYS A 36 1.573 -11.398 -12.948 1.00 0.00 O ATOM 107 CB LYS A 36 3.510 -13.186 -12.218 1.00 0.00 C ATOM 108 CG LYS A 36 3.779 -11.984 -11.322 1.00 0.00 C ATOM 109 CD LYS A 36 5.240 -11.563 -11.383 1.00 0.00 C ATOM 110 CE LYS A 36 5.487 -10.298 -10.574 1.00 0.00 C ATOM 111 NZ LYS A 36 6.918 -9.889 -10.604 1.00 0.00 N ATOM 0 H LYS A 36 2.505 -14.950 -13.814 1.00 0.00 H new ATOM 0 HA LYS A 36 1.723 -13.823 -11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.133 -14.017 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.818 -12.942 -13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.146 -11.151 -11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.511 -12.227 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.869 -12.368 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.529 -11.396 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.870 -9.490 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.178 -10.461 -9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.044 -9.024 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.505 -10.649 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.207 -9.708 -11.587 1.00 0.00 H new ATOM 125 N LYS A 37 -0.046 -12.934 -13.234 1.00 0.00 N ATOM 126 CA LYS A 37 -0.972 -12.001 -13.867 1.00 0.00 C ATOM 127 C LYS A 37 -1.647 -11.112 -12.826 1.00 0.00 C ATOM 128 O LYS A 37 -2.334 -11.601 -11.929 1.00 0.00 O ATOM 129 CB LYS A 37 -2.024 -12.758 -14.678 1.00 0.00 C ATOM 130 CG LYS A 37 -2.834 -11.884 -15.629 1.00 0.00 C ATOM 131 CD LYS A 37 -2.219 -11.864 -17.020 1.00 0.00 C ATOM 132 CE LYS A 37 -1.094 -10.844 -17.114 1.00 0.00 C ATOM 133 NZ LYS A 37 -0.488 -10.808 -18.473 1.00 0.00 N ATOM 0 H LYS A 37 -0.410 -13.880 -13.124 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.400 -11.364 -14.542 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.528 -13.539 -15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.707 -13.255 -13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.857 -12.256 -15.687 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.886 -10.868 -15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.836 -12.855 -17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.988 -11.629 -17.756 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.478 -9.856 -16.862 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.325 -11.084 -16.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.274 -10.101 -18.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.098 -11.744 -18.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.216 -10.554 -19.171 1.00 0.00 H new ATOM 147 N VAL A 38 -1.444 -9.804 -12.952 1.00 0.00 N ATOM 148 CA VAL A 38 -1.973 -8.853 -11.983 1.00 0.00 C ATOM 149 C VAL A 38 -2.447 -7.575 -12.669 1.00 0.00 C ATOM 150 O VAL A 38 -2.332 -7.434 -13.887 1.00 0.00 O ATOM 151 CB VAL A 38 -0.925 -8.491 -10.914 1.00 0.00 C ATOM 152 CG1 VAL A 38 -0.614 -9.699 -10.044 1.00 0.00 C ATOM 153 CG2 VAL A 38 0.345 -7.967 -11.568 1.00 0.00 C ATOM 0 H VAL A 38 -0.917 -9.380 -13.715 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.820 -9.338 -11.497 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.337 -7.705 -10.281 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.128 -9.426 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.525 -10.034 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.222 -10.504 -10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.074 -7.716 -10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.759 -8.733 -12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.113 -7.076 -12.152 1.00 0.00 H new ATOM 163 N ARG A 39 -2.979 -6.650 -11.880 1.00 0.00 N ATOM 164 CA ARG A 39 -3.510 -5.400 -12.415 1.00 0.00 C ATOM 165 C ARG A 39 -2.469 -4.288 -12.332 1.00 0.00 C ATOM 166 O ARG A 39 -1.505 -4.382 -11.572 1.00 0.00 O ATOM 167 CB ARG A 39 -4.816 -4.996 -11.749 1.00 0.00 C ATOM 168 CG ARG A 39 -5.912 -6.050 -11.796 1.00 0.00 C ATOM 169 CD ARG A 39 -6.411 -6.352 -13.162 1.00 0.00 C ATOM 170 NE ARG A 39 -7.013 -5.220 -13.848 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.292 -4.826 -13.698 1.00 0.00 C ATOM 172 NH1 ARG A 39 -9.118 -5.489 -12.920 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.704 -3.768 -14.375 1.00 0.00 N ATOM 0 H ARG A 39 -3.055 -6.741 -10.867 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.739 -5.569 -13.467 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.614 -4.749 -10.707 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.185 -4.088 -12.226 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.535 -6.969 -11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.748 -5.716 -11.182 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.582 -6.726 -13.763 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.146 -7.154 -13.098 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.425 -4.687 -14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.793 -6.316 -12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.084 -5.177 -12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.059 -3.274 -14.991 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.667 -3.446 -14.282 1.00 0.00 H new ATOM 187 N GLU A 40 -2.669 -3.237 -13.120 1.00 0.00 N ATOM 188 CA GLU A 40 -1.610 -2.269 -13.387 1.00 0.00 C ATOM 189 C GLU A 40 -1.498 -1.260 -12.248 1.00 0.00 C ATOM 190 O GLU A 40 -2.317 -1.250 -11.328 1.00 0.00 O ATOM 191 CB GLU A 40 -1.863 -1.547 -14.711 1.00 0.00 C ATOM 192 CG GLU A 40 -3.051 -0.595 -14.691 1.00 0.00 C ATOM 193 CD GLU A 40 -3.251 0.058 -16.030 1.00 0.00 C ATOM 194 OE1 GLU A 40 -2.503 -0.239 -16.932 1.00 0.00 O ATOM 195 OE2 GLU A 40 -4.216 0.768 -16.185 1.00 0.00 O ATOM 0 H GLU A 40 -3.554 -3.033 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.667 -2.811 -13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.968 -0.987 -14.982 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.022 -2.291 -15.492 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.952 -1.141 -14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.894 0.170 -13.931 1.00 0.00 H new ATOM 202 N LEU A 41 -0.477 -0.412 -12.316 1.00 0.00 N ATOM 203 CA LEU A 41 -0.313 0.668 -11.351 1.00 0.00 C ATOM 204 C LEU A 41 -0.603 2.021 -11.994 1.00 0.00 C ATOM 205 O LEU A 41 0.212 2.547 -12.755 1.00 0.00 O ATOM 206 CB LEU A 41 1.102 0.647 -10.763 1.00 0.00 C ATOM 207 CG LEU A 41 1.354 -0.437 -9.707 1.00 0.00 C ATOM 208 CD1 LEU A 41 1.138 -1.816 -10.314 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.771 -0.301 -9.167 1.00 0.00 C ATOM 0 H LEU A 41 0.250 -0.452 -13.030 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.029 0.516 -10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.814 0.512 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.308 1.620 -10.318 1.00 0.00 H new ATOM 0 HG LEU A 41 0.651 -0.313 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.319 -2.579 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.113 -1.898 -10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.827 -1.959 -11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.950 -1.071 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.484 -0.417 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.895 0.683 -8.714 1.00 0.00 H new ATOM 221 N THR A 42 -1.768 2.582 -11.684 1.00 0.00 N ATOM 222 CA THR A 42 -2.142 3.896 -12.190 1.00 0.00 C ATOM 223 C THR A 42 -1.728 4.997 -11.220 1.00 0.00 C ATOM 224 O THR A 42 -1.530 4.766 -10.028 1.00 0.00 O ATOM 225 CB THR A 42 -3.659 3.993 -12.443 1.00 0.00 C ATOM 226 OG1 THR A 42 -4.363 3.837 -11.203 1.00 0.00 O ATOM 227 CG2 THR A 42 -4.107 2.914 -13.416 1.00 0.00 C ATOM 0 H THR A 42 -2.469 2.146 -11.085 1.00 0.00 H new ATOM 0 HA THR A 42 -1.616 4.031 -13.135 1.00 0.00 H new ATOM 0 HB THR A 42 -3.879 4.970 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.309 4.057 -11.334 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.181 2.998 -13.583 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.582 3.037 -14.363 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.880 1.932 -13.000 1.00 0.00 H new ATOM 235 N PRO A 43 -1.591 6.227 -11.742 1.00 0.00 N ATOM 236 CA PRO A 43 -1.313 7.408 -10.922 1.00 0.00 C ATOM 237 C PRO A 43 -2.421 7.689 -9.914 1.00 0.00 C ATOM 238 O PRO A 43 -2.173 8.245 -8.844 1.00 0.00 O ATOM 239 CB PRO A 43 -1.172 8.541 -11.942 1.00 0.00 C ATOM 240 CG PRO A 43 -1.922 8.060 -13.137 1.00 0.00 C ATOM 241 CD PRO A 43 -1.701 6.571 -13.174 1.00 0.00 C ATOM 0 HA PRO A 43 -0.420 7.280 -10.310 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.588 9.473 -11.560 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.126 8.733 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.983 8.298 -13.057 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.556 8.534 -14.048 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.529 6.050 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.798 6.309 -13.725 1.00 0.00 H new ATOM 249 N GLN A 44 -3.643 7.300 -10.261 1.00 0.00 N ATOM 250 CA GLN A 44 -4.769 7.403 -9.340 1.00 0.00 C ATOM 251 C GLN A 44 -4.639 6.394 -8.206 1.00 0.00 C ATOM 252 O GLN A 44 -4.898 6.712 -7.046 1.00 0.00 O ATOM 253 CB GLN A 44 -6.091 7.185 -10.081 1.00 0.00 C ATOM 254 CG GLN A 44 -7.326 7.383 -9.219 1.00 0.00 C ATOM 255 CD GLN A 44 -7.450 8.803 -8.702 1.00 0.00 C ATOM 256 OE1 GLN A 44 -7.264 9.769 -9.446 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.763 8.939 -7.417 1.00 0.00 N ATOM 0 H GLN A 44 -3.879 6.910 -11.174 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.762 8.406 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.138 7.871 -10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.104 6.174 -10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.214 7.132 -9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.291 6.694 -8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.908 8.112 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.858 9.870 -7.011 1.00 0.00 H new ATOM 266 N GLU A 45 -4.239 5.173 -8.550 1.00 0.00 N ATOM 267 CA GLU A 45 -4.104 4.107 -7.564 1.00 0.00 C ATOM 268 C GLU A 45 -2.978 4.415 -6.580 1.00 0.00 C ATOM 269 O GLU A 45 -3.088 4.138 -5.385 1.00 0.00 O ATOM 270 CB GLU A 45 -3.851 2.765 -8.254 1.00 0.00 C ATOM 271 CG GLU A 45 -5.075 2.167 -8.934 1.00 0.00 C ATOM 272 CD GLU A 45 -4.691 1.062 -9.877 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.518 0.877 -10.098 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.560 0.333 -10.291 1.00 0.00 O ATOM 0 H GLU A 45 -4.003 4.898 -9.503 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.039 4.043 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.065 2.895 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.477 2.055 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.761 1.782 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.607 2.946 -9.481 1.00 0.00 H new ATOM 281 N LEU A 46 -1.895 4.989 -7.092 1.00 0.00 N ATOM 282 CA LEU A 46 -0.703 5.230 -6.286 1.00 0.00 C ATOM 283 C LEU A 46 -0.896 6.440 -5.376 1.00 0.00 C ATOM 284 O LEU A 46 -0.456 6.440 -4.228 1.00 0.00 O ATOM 285 CB LEU A 46 0.520 5.429 -7.191 1.00 0.00 C ATOM 286 CG LEU A 46 0.957 4.189 -7.981 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.085 4.550 -8.937 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.396 3.099 -7.015 1.00 0.00 C ATOM 0 H LEU A 46 -1.818 5.296 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.534 4.357 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.303 6.231 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.356 5.762 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 46 0.118 3.818 -8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.388 3.663 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.741 5.315 -9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.935 4.931 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.706 2.218 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.231 3.460 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.565 2.837 -6.360 1.00 0.00 H new ATOM 300 N GLU A 47 -1.557 7.467 -5.900 1.00 0.00 N ATOM 301 CA GLU A 47 -1.773 8.699 -5.149 1.00 0.00 C ATOM 302 C GLU A 47 -2.803 8.486 -4.042 1.00 0.00 C ATOM 303 O GLU A 47 -2.594 8.895 -2.899 1.00 0.00 O ATOM 304 CB GLU A 47 -2.226 9.825 -6.081 1.00 0.00 C ATOM 305 CG GLU A 47 -1.130 10.371 -6.986 1.00 0.00 C ATOM 306 CD GLU A 47 -1.676 11.383 -7.955 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.864 11.598 -7.954 1.00 0.00 O ATOM 308 OE2 GLU A 47 -0.893 12.021 -8.618 1.00 0.00 O ATOM 0 H GLU A 47 -1.952 7.471 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.826 8.985 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.044 9.460 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.623 10.642 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.349 10.830 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.667 9.551 -7.535 1.00 0.00 H new ATOM 315 N LEU A 48 -3.913 7.846 -4.390 1.00 0.00 N ATOM 316 CA LEU A 48 -4.977 7.581 -3.427 1.00 0.00 C ATOM 317 C LEU A 48 -4.504 6.617 -2.344 1.00 0.00 C ATOM 318 O LEU A 48 -5.040 6.598 -1.236 1.00 0.00 O ATOM 319 CB LEU A 48 -6.204 7.007 -4.137 1.00 0.00 C ATOM 320 CG LEU A 48 -6.116 5.536 -4.545 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.344 4.634 -3.342 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.122 5.227 -5.644 1.00 0.00 C ATOM 0 H LEU A 48 -4.100 7.501 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.248 8.525 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.068 7.131 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.392 7.601 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.115 5.345 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.278 3.591 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.585 4.837 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.333 4.827 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.046 4.176 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.130 5.435 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.912 5.849 -6.514 1.00 0.00 H new ATOM 334 N PHE A 49 -3.494 5.817 -2.671 1.00 0.00 N ATOM 335 CA PHE A 49 -2.889 4.912 -1.702 1.00 0.00 C ATOM 336 C PHE A 49 -2.235 5.691 -0.564 1.00 0.00 C ATOM 337 O PHE A 49 -2.572 5.505 0.605 1.00 0.00 O ATOM 338 CB PHE A 49 -1.860 4.008 -2.382 1.00 0.00 C ATOM 339 CG PHE A 49 -1.139 3.090 -1.435 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.733 1.916 -0.998 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.133 3.399 -0.980 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.072 1.071 -0.126 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.798 2.556 -0.111 1.00 0.00 C ATOM 344 CZ PHE A 49 0.194 1.391 0.316 1.00 0.00 C ATOM 0 H PHE A 49 -3.077 5.778 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.680 4.290 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.362 3.409 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.129 4.630 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.724 1.659 -1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.610 4.310 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.547 0.161 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.790 2.808 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.712 0.731 0.996 1.00 0.00 H new ATOM 354 N LYS A 50 -1.299 6.566 -0.916 1.00 0.00 N ATOM 355 CA LYS A 50 -0.605 7.385 0.071 1.00 0.00 C ATOM 356 C LYS A 50 -1.558 8.391 0.710 1.00 0.00 C ATOM 357 O LYS A 50 -1.391 8.767 1.870 1.00 0.00 O ATOM 358 CB LYS A 50 0.579 8.110 -0.569 1.00 0.00 C ATOM 359 CG LYS A 50 0.192 9.147 -1.614 1.00 0.00 C ATOM 360 CD LYS A 50 1.414 9.879 -2.149 1.00 0.00 C ATOM 361 CE LYS A 50 1.025 10.927 -3.182 1.00 0.00 C ATOM 362 NZ LYS A 50 2.213 11.640 -3.725 1.00 0.00 N ATOM 0 H LYS A 50 -1.003 6.726 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.229 6.725 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.156 8.600 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.234 7.372 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.331 8.659 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.502 9.865 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.943 10.357 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.102 9.162 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.484 10.448 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.345 11.648 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.905 12.345 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.715 12.118 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.850 10.956 -4.180 1.00 0.00 H new ATOM 376 N ARG A 51 -2.555 8.823 -0.056 1.00 0.00 N ATOM 377 CA ARG A 51 -3.539 9.778 0.440 1.00 0.00 C ATOM 378 C ARG A 51 -4.366 9.171 1.570 1.00 0.00 C ATOM 379 O ARG A 51 -4.532 9.780 2.627 1.00 0.00 O ATOM 380 CB ARG A 51 -4.424 10.321 -0.672 1.00 0.00 C ATOM 381 CG ARG A 51 -5.456 11.344 -0.226 1.00 0.00 C ATOM 382 CD ARG A 51 -6.269 11.915 -1.331 1.00 0.00 C ATOM 383 NE ARG A 51 -7.271 12.881 -0.905 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.117 13.520 -1.735 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.064 13.332 -3.035 1.00 0.00 N ATOM 386 NH2 ARG A 51 -8.988 14.364 -1.209 1.00 0.00 N ATOM 0 H ARG A 51 -2.702 8.527 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.990 10.629 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.789 10.775 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.942 9.486 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.124 10.877 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.945 12.156 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.601 12.395 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.768 11.101 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.337 13.088 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.374 12.693 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.713 13.825 -3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.006 14.516 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.642 14.863 -1.812 1.00 0.00 H new ATOM 400 N ALA A 52 -4.881 7.969 1.339 1.00 0.00 N ATOM 401 CA ALA A 52 -5.644 7.257 2.356 1.00 0.00 C ATOM 402 C ALA A 52 -4.739 6.777 3.486 1.00 0.00 C ATOM 403 O ALA A 52 -5.125 6.801 4.654 1.00 0.00 O ATOM 404 CB ALA A 52 -6.385 6.081 1.735 1.00 0.00 C ATOM 0 H ALA A 52 -4.784 7.467 0.456 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.373 7.949 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.950 5.559 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.069 6.446 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.667 5.395 1.285 1.00 0.00 H new ATOM 410 N MET A 53 -3.536 6.343 3.130 1.00 0.00 N ATOM 411 CA MET A 53 -2.577 5.857 4.115 1.00 0.00 C ATOM 412 C MET A 53 -2.136 6.983 5.046 1.00 0.00 C ATOM 413 O MET A 53 -1.766 6.742 6.194 1.00 0.00 O ATOM 414 CB MET A 53 -1.366 5.242 3.416 1.00 0.00 C ATOM 415 CG MET A 53 -0.439 4.458 4.333 1.00 0.00 C ATOM 416 SD MET A 53 -1.240 3.015 5.062 1.00 0.00 S ATOM 417 CE MET A 53 -1.417 1.964 3.624 1.00 0.00 C ATOM 0 H MET A 53 -3.201 6.318 2.167 1.00 0.00 H new ATOM 0 HA MET A 53 -3.064 5.089 4.716 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.717 4.581 2.624 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.795 6.038 2.938 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.437 4.137 3.769 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.083 5.112 5.129 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.475 1.822 3.405 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.929 2.432 2.769 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.954 0.997 3.821 1.00 0.00 H new ATOM 427 N GLY A 54 -2.182 8.213 4.543 1.00 0.00 N ATOM 428 CA GLY A 54 -1.763 9.354 5.336 1.00 0.00 C ATOM 429 C GLY A 54 -0.257 9.521 5.362 1.00 0.00 C ATOM 430 O GLY A 54 0.304 10.001 6.348 1.00 0.00 O ATOM 0 H GLY A 54 -2.502 8.439 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.219 10.259 4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.130 9.238 6.356 1.00 0.00 H new ATOM 434 N ILE A 55 0.401 9.124 4.278 1.00 0.00 N ATOM 435 CA ILE A 55 1.856 9.150 4.216 1.00 0.00 C ATOM 436 C ILE A 55 2.375 10.579 4.106 1.00 0.00 C ATOM 437 O ILE A 55 2.045 11.303 3.166 1.00 0.00 O ATOM 438 CB ILE A 55 2.385 8.326 3.027 1.00 0.00 C ATOM 439 CG1 ILE A 55 2.002 6.853 3.186 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.893 8.478 2.906 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.296 6.011 1.965 1.00 0.00 C ATOM 0 H ILE A 55 -0.051 8.780 3.431 1.00 0.00 H new ATOM 0 HA ILE A 55 2.220 8.705 5.142 1.00 0.00 H new ATOM 0 HB ILE A 55 1.928 8.702 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.538 6.438 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.938 6.786 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.251 7.890 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.141 9.528 2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.369 8.126 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.998 4.980 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.739 6.400 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.364 6.046 1.747 1.00 0.00 H new ATOM 453 N THR A 56 3.193 10.982 5.072 1.00 0.00 N ATOM 454 CA THR A 56 3.702 12.346 5.124 1.00 0.00 C ATOM 455 C THR A 56 5.118 12.427 4.569 1.00 0.00 C ATOM 456 O THR A 56 5.840 11.432 4.493 1.00 0.00 O ATOM 457 CB THR A 56 3.695 12.898 6.563 1.00 0.00 C ATOM 458 OG1 THR A 56 4.642 12.175 7.360 1.00 0.00 O ATOM 459 CG2 THR A 56 2.311 12.762 7.179 1.00 0.00 C ATOM 0 H THR A 56 3.518 10.382 5.830 1.00 0.00 H new ATOM 0 HA THR A 56 3.037 12.952 4.508 1.00 0.00 H new ATOM 0 HB THR A 56 3.966 13.953 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.789 11.288 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.325 13.157 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.591 13.321 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.025 11.711 7.202 1.00 0.00 H new ATOM 467 N PRO A 57 5.530 13.639 4.168 1.00 0.00 N ATOM 468 CA PRO A 57 6.888 13.891 3.675 1.00 0.00 C ATOM 469 C PRO A 57 7.951 13.582 4.724 1.00 0.00 C ATOM 470 O PRO A 57 9.130 13.428 4.401 1.00 0.00 O ATOM 471 CB PRO A 57 6.875 15.377 3.300 1.00 0.00 C ATOM 472 CG PRO A 57 5.744 15.948 4.083 1.00 0.00 C ATOM 473 CD PRO A 57 4.701 14.862 4.129 1.00 0.00 C ATOM 0 HA PRO A 57 7.145 13.248 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.818 15.859 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.726 15.515 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.063 16.229 5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.353 16.848 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.061 14.949 5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.049 14.885 3.256 1.00 0.00 H new ATOM 481 N HIS A 58 7.529 13.493 5.981 1.00 0.00 N ATOM 482 CA HIS A 58 8.417 13.073 7.058 1.00 0.00 C ATOM 483 C HIS A 58 8.776 11.597 6.924 1.00 0.00 C ATOM 484 O HIS A 58 9.945 11.221 7.005 1.00 0.00 O ATOM 485 CB HIS A 58 7.776 13.335 8.425 1.00 0.00 C ATOM 486 CG HIS A 58 8.611 12.876 9.579 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.763 13.526 9.968 1.00 0.00 N ATOM 488 CD2 HIS A 58 8.462 11.833 10.428 1.00 0.00 C ATOM 489 CE1 HIS A 58 10.286 12.902 11.009 1.00 0.00 C ATOM 490 NE2 HIS A 58 9.517 11.871 11.308 1.00 0.00 N ATOM 0 H HIS A 58 6.577 13.706 6.279 1.00 0.00 H new ATOM 0 HA HIS A 58 9.332 13.661 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.585 14.403 8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.809 12.833 8.465 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.663 11.106 10.416 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.190 13.187 11.527 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.679 11.211 12.068 1.00 0.00 H new ATOM 498 N ASN A 59 7.762 10.763 6.714 1.00 0.00 N ATOM 499 CA ASN A 59 7.969 9.324 6.592 1.00 0.00 C ATOM 500 C ASN A 59 7.702 8.856 5.165 1.00 0.00 C ATOM 501 O ASN A 59 7.410 7.684 4.930 1.00 0.00 O ATOM 502 CB ASN A 59 7.101 8.554 7.572 1.00 0.00 C ATOM 503 CG ASN A 59 5.626 8.754 7.361 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.201 9.573 6.537 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.844 8.072 8.158 1.00 0.00 N ATOM 0 H ASN A 59 6.790 11.059 6.625 1.00 0.00 H new ATOM 0 HA ASN A 59 9.012 9.121 6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.330 7.492 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.358 8.857 8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.833 8.204 8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.245 7.408 8.820 1.00 0.00 H new ATOM 512 N TYR A 60 7.806 9.779 4.216 1.00 0.00 N ATOM 513 CA TYR A 60 7.623 9.452 2.808 1.00 0.00 C ATOM 514 C TYR A 60 8.756 8.562 2.304 1.00 0.00 C ATOM 515 O TYR A 60 8.521 7.570 1.613 1.00 0.00 O ATOM 516 CB TYR A 60 7.543 10.729 1.967 1.00 0.00 C ATOM 517 CG TYR A 60 7.327 10.478 0.491 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.068 10.172 -0.004 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.383 10.550 -0.404 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.865 9.941 -1.351 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.193 10.323 -1.753 1.00 0.00 C ATOM 522 CZ TYR A 60 6.931 10.019 -2.222 1.00 0.00 C ATOM 523 OH TYR A 60 6.736 9.792 -3.566 1.00 0.00 O ATOM 0 H TYR A 60 8.016 10.761 4.397 1.00 0.00 H new ATOM 0 HA TYR A 60 6.685 8.905 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.730 11.350 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.464 11.297 2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.231 10.113 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.372 10.788 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.878 9.701 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.027 10.383 -2.437 1.00 0.00 H new ATOM 0 HH TYR A 60 7.588 9.887 -4.041 1.00 0.00 H new ATOM 533 N TRP A 61 9.984 8.923 2.656 1.00 0.00 N ATOM 534 CA TRP A 61 11.151 8.129 2.284 1.00 0.00 C ATOM 535 C TRP A 61 11.152 6.790 3.012 1.00 0.00 C ATOM 536 O TRP A 61 11.704 5.807 2.517 1.00 0.00 O ATOM 537 CB TRP A 61 12.439 8.896 2.588 1.00 0.00 C ATOM 538 CG TRP A 61 12.684 9.096 4.053 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.281 10.156 4.810 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.385 8.215 4.938 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.688 9.992 6.111 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.368 8.805 6.214 1.00 0.00 C ATOM 543 CE3 TRP A 61 14.026 6.981 4.772 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.965 8.211 7.316 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.624 6.385 5.877 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.593 6.981 7.112 1.00 0.00 C ATOM 0 H TRP A 61 10.199 9.760 3.198 1.00 0.00 H new ATOM 0 HA TRP A 61 11.101 7.937 1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.283 8.358 2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.397 9.869 2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.722 11.003 4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.514 10.645 6.875 1.00 0.00 H new ATOM 0 HE3 TRP A 61 14.055 6.502 3.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.945 8.679 8.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.123 5.434 5.760 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.066 6.486 7.947 1.00 0.00 H new ATOM 557 N GLN A 62 10.534 6.759 4.187 1.00 0.00 N ATOM 558 CA GLN A 62 10.390 5.520 4.942 1.00 0.00 C ATOM 559 C GLN A 62 9.403 4.579 4.262 1.00 0.00 C ATOM 560 O GLN A 62 9.681 3.392 4.087 1.00 0.00 O ATOM 561 CB GLN A 62 9.927 5.813 6.372 1.00 0.00 C ATOM 562 CG GLN A 62 10.972 6.496 7.238 1.00 0.00 C ATOM 563 CD GLN A 62 10.437 6.863 8.609 1.00 0.00 C ATOM 564 OE1 GLN A 62 9.247 6.696 8.893 1.00 0.00 O ATOM 565 NE2 GLN A 62 11.313 7.371 9.469 1.00 0.00 N ATOM 0 H GLN A 62 10.125 7.578 4.637 1.00 0.00 H new ATOM 0 HA GLN A 62 11.365 5.035 4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.037 6.442 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.634 4.876 6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.833 5.837 7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.324 7.397 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.287 7.492 9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.011 7.640 10.405 1.00 0.00 H new ATOM 574 N TRP A 63 8.250 5.116 3.879 1.00 0.00 N ATOM 575 CA TRP A 63 7.258 4.345 3.137 1.00 0.00 C ATOM 576 C TRP A 63 7.793 3.947 1.765 1.00 0.00 C ATOM 577 O TRP A 63 7.460 2.881 1.245 1.00 0.00 O ATOM 578 CB TRP A 63 5.968 5.153 2.980 1.00 0.00 C ATOM 579 CG TRP A 63 5.007 4.962 4.114 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.878 5.750 5.221 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.040 3.913 4.250 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.891 5.256 6.039 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.360 4.130 5.465 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.682 2.815 3.464 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.345 3.288 5.909 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.675 1.980 3.908 1.00 0.00 C ATOM 587 CH2 TRP A 63 2.015 2.219 5.120 1.00 0.00 C ATOM 0 H TRP A 63 7.979 6.081 4.069 1.00 0.00 H new ATOM 0 HA TRP A 63 7.044 3.437 3.700 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.218 6.211 2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.480 4.868 2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.466 6.633 5.424 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.600 5.661 6.929 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.183 2.623 2.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.835 3.471 6.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.391 1.127 3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.231 1.548 5.438 1.00 0.00 H new ATOM 598 N ALA A 64 8.620 4.808 1.185 1.00 0.00 N ATOM 599 CA ALA A 64 9.242 4.520 -0.102 1.00 0.00 C ATOM 600 C ALA A 64 10.089 3.254 -0.031 1.00 0.00 C ATOM 601 O ALA A 64 10.013 2.395 -0.911 1.00 0.00 O ATOM 602 CB ALA A 64 10.092 5.700 -0.553 1.00 0.00 C ATOM 0 H ALA A 64 8.876 5.711 1.585 1.00 0.00 H new ATOM 0 HA ALA A 64 8.449 4.356 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.550 5.471 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.463 6.585 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.872 5.890 0.185 1.00 0.00 H new ATOM 608 N SER A 65 10.897 3.145 1.019 1.00 0.00 N ATOM 609 CA SER A 65 11.756 1.981 1.206 1.00 0.00 C ATOM 610 C SER A 65 10.939 0.767 1.637 1.00 0.00 C ATOM 611 O SER A 65 11.332 -0.376 1.400 1.00 0.00 O ATOM 612 CB SER A 65 12.834 2.285 2.226 1.00 0.00 C ATOM 613 OG SER A 65 12.304 2.491 3.507 1.00 0.00 O ATOM 0 H SER A 65 10.975 3.849 1.753 1.00 0.00 H new ATOM 0 HA SER A 65 12.231 1.748 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.546 1.460 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.387 3.172 1.916 1.00 0.00 H new ATOM 0 HG SER A 65 11.379 2.805 3.432 1.00 0.00 H new ATOM 619 N ARG A 66 9.800 1.023 2.271 1.00 0.00 N ATOM 620 CA ARG A 66 8.921 -0.048 2.728 1.00 0.00 C ATOM 621 C ARG A 66 8.147 -0.652 1.561 1.00 0.00 C ATOM 622 O ARG A 66 7.913 -1.859 1.513 1.00 0.00 O ATOM 623 CB ARG A 66 7.991 0.407 3.842 1.00 0.00 C ATOM 624 CG ARG A 66 6.965 -0.625 4.281 1.00 0.00 C ATOM 625 CD ARG A 66 5.973 -0.124 5.266 1.00 0.00 C ATOM 626 NE ARG A 66 6.520 0.147 6.587 1.00 0.00 N ATOM 627 CZ ARG A 66 5.931 0.931 7.512 1.00 0.00 C ATOM 628 NH1 ARG A 66 4.802 1.553 7.254 1.00 0.00 N ATOM 629 NH2 ARG A 66 6.535 1.079 8.678 1.00 0.00 N ATOM 0 H ARG A 66 9.463 1.963 2.480 1.00 0.00 H new ATOM 0 HA ARG A 66 9.553 -0.828 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.593 0.689 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.465 1.303 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.434 -0.988 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.488 -1.479 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.524 0.790 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.172 -0.857 5.361 1.00 0.00 H new ATOM 0 HE ARG A 66 7.411 -0.286 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.358 1.446 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.370 2.142 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.421 0.607 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.115 1.666 9.399 1.00 0.00 H new ATOM 643 N THR A 67 7.749 0.199 0.618 1.00 0.00 N ATOM 644 CA THR A 67 6.798 -0.194 -0.413 1.00 0.00 C ATOM 645 C THR A 67 7.506 -0.492 -1.731 1.00 0.00 C ATOM 646 O THR A 67 6.880 -0.532 -2.788 1.00 0.00 O ATOM 647 CB THR A 67 5.737 0.897 -0.648 1.00 0.00 C ATOM 648 OG1 THR A 67 6.382 2.126 -1.007 1.00 0.00 O ATOM 649 CG2 THR A 67 4.907 1.113 0.609 1.00 0.00 C ATOM 0 H THR A 67 8.071 1.164 0.549 1.00 0.00 H new ATOM 0 HA THR A 67 6.304 -1.098 -0.057 1.00 0.00 H new ATOM 0 HB THR A 67 5.079 0.575 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.617 2.621 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.162 1.887 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.405 0.184 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.558 1.423 1.426 1.00 0.00 H new ATOM 657 N ASN A 68 8.817 -0.699 -1.658 1.00 0.00 N ATOM 658 CA ASN A 68 9.618 -0.955 -2.850 1.00 0.00 C ATOM 659 C ASN A 68 9.362 0.106 -3.915 1.00 0.00 C ATOM 660 O ASN A 68 8.921 -0.203 -5.020 1.00 0.00 O ATOM 661 CB ASN A 68 9.355 -2.340 -3.411 1.00 0.00 C ATOM 662 CG ASN A 68 10.374 -2.789 -4.420 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.214 -2.004 -4.874 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.253 -4.024 -4.834 1.00 0.00 N ATOM 0 H ASN A 68 9.347 -0.695 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 68 10.666 -0.906 -2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.331 -3.056 -2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.368 -2.353 -3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.869 -4.380 -5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.543 -4.631 -4.426 1.00 0.00 H new ATOM 671 N ASN A 69 9.642 1.360 -3.573 1.00 0.00 N ATOM 672 CA ASN A 69 9.406 2.472 -4.486 1.00 0.00 C ATOM 673 C ASN A 69 7.915 2.641 -4.765 1.00 0.00 C ATOM 674 O ASN A 69 7.516 2.996 -5.873 1.00 0.00 O ATOM 675 CB ASN A 69 10.168 2.297 -5.786 1.00 0.00 C ATOM 676 CG ASN A 69 10.392 3.582 -6.535 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.467 4.664 -5.942 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.415 3.478 -7.839 1.00 0.00 N ATOM 0 H ASN A 69 10.032 1.631 -2.670 1.00 0.00 H new ATOM 0 HA ASN A 69 9.774 3.375 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.134 1.839 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.622 1.604 -6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.498 4.315 -8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.350 2.560 -8.279 1.00 0.00 H new ATOM 685 N PHE A 70 7.097 2.384 -3.748 1.00 0.00 N ATOM 686 CA PHE A 70 5.648 2.452 -3.899 1.00 0.00 C ATOM 687 C PHE A 70 5.174 1.535 -5.022 1.00 0.00 C ATOM 688 O PHE A 70 4.162 1.801 -5.671 1.00 0.00 O ATOM 689 CB PHE A 70 5.204 3.891 -4.167 1.00 0.00 C ATOM 690 CG PHE A 70 5.566 4.852 -3.071 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.812 4.919 -1.909 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.665 5.689 -3.198 1.00 0.00 C ATOM 693 CE1 PHE A 70 5.144 5.803 -0.901 1.00 0.00 C ATOM 694 CE2 PHE A 70 7.000 6.574 -2.189 1.00 0.00 C ATOM 695 CZ PHE A 70 6.239 6.631 -1.041 1.00 0.00 C ATOM 0 H PHE A 70 7.413 2.127 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 70 5.195 2.114 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.654 4.232 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.123 3.907 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.955 4.272 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.266 5.649 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.546 5.846 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.858 7.220 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.499 7.322 -0.253 1.00 0.00 H new ATOM 705 N LYS A 71 5.913 0.454 -5.248 1.00 0.00 N ATOM 706 CA LYS A 71 5.537 -0.536 -6.248 1.00 0.00 C ATOM 707 C LYS A 71 4.715 -1.658 -5.622 1.00 0.00 C ATOM 708 O LYS A 71 5.254 -2.526 -4.934 1.00 0.00 O ATOM 709 CB LYS A 71 6.780 -1.109 -6.931 1.00 0.00 C ATOM 710 CG LYS A 71 6.485 -1.968 -8.155 1.00 0.00 C ATOM 711 CD LYS A 71 6.066 -1.114 -9.343 1.00 0.00 C ATOM 712 CE LYS A 71 5.445 -1.961 -10.443 1.00 0.00 C ATOM 713 NZ LYS A 71 6.426 -2.910 -11.036 1.00 0.00 N ATOM 0 H LYS A 71 6.778 0.242 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 71 4.923 -0.039 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.429 -0.285 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.334 -1.707 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.370 -2.549 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.694 -2.680 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.352 -0.359 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.933 -0.584 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.600 -2.518 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.052 -1.310 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.987 -3.408 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.259 -2.385 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.718 -3.602 -10.317 1.00 0.00 H new ATOM 727 N LEU A 72 3.410 -1.636 -5.865 1.00 0.00 N ATOM 728 CA LEU A 72 2.505 -2.620 -5.279 1.00 0.00 C ATOM 729 C LEU A 72 1.584 -3.214 -6.340 1.00 0.00 C ATOM 730 O LEU A 72 1.172 -2.526 -7.274 1.00 0.00 O ATOM 731 CB LEU A 72 1.675 -1.979 -4.167 1.00 0.00 C ATOM 732 CG LEU A 72 2.458 -1.218 -3.097 1.00 0.00 C ATOM 733 CD1 LEU A 72 2.615 0.243 -3.488 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.772 -1.339 -1.745 1.00 0.00 C ATOM 0 H LEU A 72 2.954 -0.948 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 72 3.107 -3.425 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.962 -1.293 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.096 -2.761 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 72 3.451 -1.661 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.175 0.769 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.152 0.311 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.631 0.698 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.344 -0.791 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.766 -0.924 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.713 -2.389 -1.459 1.00 0.00 H new ATOM 746 N LEU A 73 1.264 -4.495 -6.189 1.00 0.00 N ATOM 747 CA LEU A 73 0.450 -5.201 -7.172 1.00 0.00 C ATOM 748 C LEU A 73 -0.830 -5.733 -6.538 1.00 0.00 C ATOM 749 O LEU A 73 -0.893 -5.948 -5.326 1.00 0.00 O ATOM 750 CB LEU A 73 1.253 -6.346 -7.803 1.00 0.00 C ATOM 751 CG LEU A 73 2.545 -5.924 -8.514 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.415 -7.143 -8.782 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.200 -5.211 -9.813 1.00 0.00 C ATOM 0 H LEU A 73 1.556 -5.065 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 73 0.171 -4.496 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.505 -7.065 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.615 -6.864 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 73 3.105 -5.240 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.330 -6.833 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.667 -7.625 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.872 -7.846 -9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.118 -4.911 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.634 -5.883 -10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.601 -4.327 -9.595 1.00 0.00 H new ATOM 765 N THR A 74 -1.850 -5.947 -7.364 1.00 0.00 N ATOM 766 CA THR A 74 -3.092 -6.554 -6.903 1.00 0.00 C ATOM 767 C THR A 74 -3.973 -6.962 -8.078 1.00 0.00 C ATOM 768 O THR A 74 -3.880 -6.390 -9.164 1.00 0.00 O ATOM 769 CB THR A 74 -3.882 -5.600 -5.988 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.041 -6.273 -5.480 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.315 -4.361 -6.756 1.00 0.00 C ATOM 0 H THR A 74 -1.840 -5.709 -8.356 1.00 0.00 H new ATOM 0 HA THR A 74 -2.816 -7.442 -6.333 1.00 0.00 H new ATOM 0 HB THR A 74 -3.239 -5.296 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.388 -5.786 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.872 -3.698 -6.093 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.435 -3.841 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.949 -4.655 -7.592 1.00 0.00 H new ATOM 779 N ASP A 75 -4.829 -7.954 -7.854 1.00 0.00 N ATOM 780 CA ASP A 75 -5.878 -8.288 -8.809 1.00 0.00 C ATOM 781 C ASP A 75 -7.152 -8.716 -8.088 1.00 0.00 C ATOM 782 O ASP A 75 -7.289 -9.867 -7.676 1.00 0.00 O ATOM 783 CB ASP A 75 -5.410 -9.395 -9.757 1.00 0.00 C ATOM 784 CG ASP A 75 -6.409 -9.752 -10.849 1.00 0.00 C ATOM 785 OD1 ASP A 75 -7.501 -9.235 -10.820 1.00 0.00 O ATOM 786 OD2 ASP A 75 -6.025 -10.411 -11.786 1.00 0.00 O ATOM 0 H ASP A 75 -4.816 -8.540 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.097 -7.396 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.475 -9.085 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.194 -10.289 -9.173 1.00 0.00 H new ATOM 791 N GLY A 76 -8.086 -7.780 -7.939 1.00 0.00 N ATOM 792 CA GLY A 76 -9.326 -8.072 -7.248 1.00 0.00 C ATOM 793 C GLY A 76 -9.106 -8.458 -5.798 1.00 0.00 C ATOM 794 O GLY A 76 -9.940 -9.132 -5.195 1.00 0.00 O ATOM 0 H GLY A 76 -8.004 -6.824 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.978 -7.199 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.842 -8.883 -7.762 1.00 0.00 H new ATOM 798 N GLU A 77 -7.978 -8.030 -5.238 1.00 0.00 N ATOM 799 CA GLU A 77 -7.578 -8.461 -3.903 1.00 0.00 C ATOM 800 C GLU A 77 -6.953 -7.306 -3.125 1.00 0.00 C ATOM 801 O GLU A 77 -6.891 -6.177 -3.612 1.00 0.00 O ATOM 802 CB GLU A 77 -6.597 -9.632 -3.989 1.00 0.00 C ATOM 803 CG GLU A 77 -7.193 -10.909 -4.564 1.00 0.00 C ATOM 804 CD GLU A 77 -6.167 -12.006 -4.636 1.00 0.00 C ATOM 805 OE1 GLU A 77 -5.060 -11.788 -4.203 1.00 0.00 O ATOM 806 OE2 GLU A 77 -6.520 -13.098 -5.016 1.00 0.00 O ATOM 0 H GLU A 77 -7.326 -7.387 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.471 -8.791 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.747 -9.334 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.212 -9.842 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.031 -11.232 -3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.588 -10.712 -5.560 1.00 0.00 H new ATOM 813 N TRP A 78 -6.494 -7.597 -1.913 1.00 0.00 N ATOM 814 CA TRP A 78 -5.667 -6.659 -1.165 1.00 0.00 C ATOM 815 C TRP A 78 -4.373 -6.357 -1.912 1.00 0.00 C ATOM 816 O TRP A 78 -3.867 -7.193 -2.660 1.00 0.00 O ATOM 817 CB TRP A 78 -5.348 -7.222 0.223 1.00 0.00 C ATOM 818 CG TRP A 78 -4.346 -8.337 0.195 1.00 0.00 C ATOM 819 CD1 TRP A 78 -4.079 -9.173 -0.851 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.478 -8.735 1.262 1.00 0.00 C ATOM 821 NE1 TRP A 78 -3.097 -10.068 -0.497 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.711 -9.819 0.792 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.273 -8.279 2.567 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.757 -10.454 1.584 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.326 -8.911 3.351 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.578 -9.988 2.858 1.00 0.00 C ATOM 0 H TRP A 78 -6.681 -8.475 -1.428 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.226 -5.730 -1.054 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.970 -6.419 0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.269 -7.582 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.567 -9.137 -1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.718 -10.799 -1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.844 -7.449 2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.179 -11.284 1.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.160 -8.568 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.846 -10.460 3.496 1.00 0.00 H new ATOM 837 N VAL A 79 -3.842 -5.155 -1.705 1.00 0.00 N ATOM 838 CA VAL A 79 -2.615 -4.736 -2.373 1.00 0.00 C ATOM 839 C VAL A 79 -1.383 -5.209 -1.609 1.00 0.00 C ATOM 840 O VAL A 79 -1.318 -5.092 -0.385 1.00 0.00 O ATOM 841 CB VAL A 79 -2.552 -3.206 -2.534 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.241 -2.792 -3.185 1.00 0.00 C ATOM 843 CG2 VAL A 79 -3.733 -2.706 -3.352 1.00 0.00 C ATOM 0 H VAL A 79 -4.242 -4.455 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.624 -5.195 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.603 -2.754 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.214 -1.707 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.407 -3.117 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.161 -3.255 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.671 -1.623 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.712 -3.166 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.663 -2.970 -2.848 1.00 0.00 H new ATOM 853 N TRP A 80 -0.411 -5.745 -2.339 1.00 0.00 N ATOM 854 CA TRP A 80 0.853 -6.156 -1.742 1.00 0.00 C ATOM 855 C TRP A 80 2.032 -5.541 -2.488 1.00 0.00 C ATOM 856 O TRP A 80 1.907 -5.144 -3.647 1.00 0.00 O ATOM 857 CB TRP A 80 0.971 -7.681 -1.736 1.00 0.00 C ATOM 858 CG TRP A 80 1.033 -8.282 -3.108 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.151 -8.485 -3.860 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.070 -8.757 -3.890 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.815 -9.056 -5.062 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.456 -9.235 -5.104 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.452 -8.825 -3.679 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.345 -9.768 -6.101 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.254 -9.362 -4.679 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.717 -9.821 -5.855 1.00 0.00 C ATOM 0 H TRP A 80 -0.475 -5.905 -3.344 1.00 0.00 H new ATOM 0 HA TRP A 80 0.873 -5.798 -0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.866 -7.966 -1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.119 -8.101 -1.202 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.156 -8.233 -3.555 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.469 -9.306 -5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.887 -8.467 -2.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.075 -10.127 -7.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.322 -9.419 -4.527 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.372 -10.233 -6.608 1.00 0.00 H new ATOM 877 N VAL A 81 3.177 -5.463 -1.817 1.00 0.00 N ATOM 878 CA VAL A 81 4.372 -4.873 -2.409 1.00 0.00 C ATOM 879 C VAL A 81 5.163 -5.908 -3.201 1.00 0.00 C ATOM 880 O VAL A 81 5.427 -7.007 -2.714 1.00 0.00 O ATOM 881 CB VAL A 81 5.287 -4.253 -1.337 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.534 -3.663 -1.976 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.539 -3.188 -0.549 1.00 0.00 C ATOM 0 H VAL A 81 3.302 -5.801 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 81 4.033 -4.086 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 81 5.592 -5.041 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.169 -3.229 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.082 -4.448 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.247 -2.888 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.201 -2.761 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.205 -2.402 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.675 -3.637 -0.060 1.00 0.00 H new ATOM 893 N GLU A 82 5.538 -5.550 -4.425 1.00 0.00 N ATOM 894 CA GLU A 82 6.300 -6.446 -5.284 1.00 0.00 C ATOM 895 C GLU A 82 7.564 -6.932 -4.579 1.00 0.00 C ATOM 896 O GLU A 82 8.343 -6.134 -4.061 1.00 0.00 O ATOM 897 CB GLU A 82 6.663 -5.752 -6.600 1.00 0.00 C ATOM 898 CG GLU A 82 7.403 -6.635 -7.593 1.00 0.00 C ATOM 899 CD GLU A 82 7.662 -5.909 -8.883 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.200 -4.801 -9.021 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.411 -6.411 -9.686 1.00 0.00 O ATOM 0 H GLU A 82 5.326 -4.644 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 82 5.675 -7.311 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.749 -5.387 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.278 -4.880 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.349 -6.959 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.818 -7.533 -7.790 1.00 0.00 H new ATOM 908 N GLY A 83 7.759 -8.247 -4.565 1.00 0.00 N ATOM 909 CA GLY A 83 8.912 -8.819 -3.895 1.00 0.00 C ATOM 910 C GLY A 83 8.591 -9.286 -2.488 1.00 0.00 C ATOM 911 O GLY A 83 9.332 -10.078 -1.905 1.00 0.00 O ATOM 0 H GLY A 83 7.139 -8.926 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.287 -9.661 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.710 -8.078 -3.856 1.00 0.00 H new ATOM 915 N TYR A 84 7.485 -8.795 -1.940 1.00 0.00 N ATOM 916 CA TYR A 84 7.044 -9.201 -0.611 1.00 0.00 C ATOM 917 C TYR A 84 5.747 -10.002 -0.689 1.00 0.00 C ATOM 918 O TYR A 84 5.049 -10.170 0.309 1.00 0.00 O ATOM 919 CB TYR A 84 6.855 -7.977 0.289 1.00 0.00 C ATOM 920 CG TYR A 84 8.128 -7.200 0.542 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.085 -7.672 1.426 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.367 -5.996 -0.104 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.250 -6.966 1.661 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.527 -5.282 0.122 1.00 0.00 C ATOM 925 CZ TYR A 84 10.467 -5.771 1.006 1.00 0.00 C ATOM 926 OH TYR A 84 11.625 -5.063 1.237 1.00 0.00 O ATOM 0 H TYR A 84 6.877 -8.115 -2.396 1.00 0.00 H new ATOM 0 HA TYR A 84 7.816 -9.838 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.120 -7.313 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.443 -8.301 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.918 -8.607 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.633 -5.610 -0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.986 -7.347 2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.698 -4.346 -0.390 1.00 0.00 H new ATOM 0 HH TYR A 84 11.622 -4.246 0.696 1.00 0.00 H new ATOM 936 N GLU A 85 5.434 -10.494 -1.883 1.00 0.00 N ATOM 937 CA GLU A 85 4.375 -11.483 -2.047 1.00 0.00 C ATOM 938 C GLU A 85 4.666 -12.735 -1.225 1.00 0.00 C ATOM 939 O GLU A 85 3.783 -13.561 -1.001 1.00 0.00 O ATOM 940 CB GLU A 85 4.204 -11.846 -3.524 1.00 0.00 C ATOM 941 CG GLU A 85 5.406 -12.546 -4.142 1.00 0.00 C ATOM 942 CD GLU A 85 6.418 -11.553 -4.641 1.00 0.00 C ATOM 943 OE1 GLU A 85 6.220 -10.379 -4.441 1.00 0.00 O ATOM 944 OE2 GLU A 85 7.446 -11.973 -5.122 1.00 0.00 O ATOM 0 H GLU A 85 5.898 -10.224 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 85 3.445 -11.045 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.330 -12.490 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.999 -10.936 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.869 -13.200 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.077 -13.179 -4.966 1.00 0.00 H new ATOM 951 N GLU A 86 5.912 -12.867 -0.782 1.00 0.00 N ATOM 952 CA GLU A 86 6.267 -13.882 0.204 1.00 0.00 C ATOM 953 C GLU A 86 5.517 -13.657 1.512 1.00 0.00 C ATOM 954 O GLU A 86 5.137 -14.609 2.195 1.00 0.00 O ATOM 955 CB GLU A 86 7.777 -13.882 0.453 1.00 0.00 C ATOM 956 CG GLU A 86 8.250 -14.930 1.451 1.00 0.00 C ATOM 957 CD GLU A 86 9.748 -14.926 1.580 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.380 -14.152 0.903 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.252 -15.616 2.434 1.00 0.00 O ATOM 0 H GLU A 86 6.692 -12.285 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 86 5.977 -14.855 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.289 -14.044 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.074 -12.896 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.799 -14.738 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.913 -15.916 1.133 1.00 0.00 H new ATOM 966 N HIS A 87 5.309 -12.391 1.859 1.00 0.00 N ATOM 967 CA HIS A 87 4.685 -12.037 3.129 1.00 0.00 C ATOM 968 C HIS A 87 3.183 -12.304 3.089 1.00 0.00 C ATOM 969 O HIS A 87 2.517 -12.314 4.124 1.00 0.00 O ATOM 970 CB HIS A 87 4.950 -10.568 3.474 1.00 0.00 C ATOM 971 CG HIS A 87 6.379 -10.277 3.812 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.805 -9.038 4.242 1.00 0.00 N ATOM 973 CD2 HIS A 87 7.480 -11.064 3.783 1.00 0.00 C ATOM 974 CE1 HIS A 87 8.107 -9.076 4.464 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.540 -10.293 4.192 1.00 0.00 N ATOM 0 H HIS A 87 5.564 -11.592 1.278 1.00 0.00 H new ATOM 0 HA HIS A 87 5.128 -12.662 3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.652 -9.946 2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.321 -10.283 4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.518 -12.104 3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.714 -8.252 4.809 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.506 -10.610 4.273 1.00 0.00 H new ATOM 983 N ILE A 88 2.657 -12.519 1.888 1.00 0.00 N ATOM 984 CA ILE A 88 1.246 -12.838 1.720 1.00 0.00 C ATOM 985 C ILE A 88 0.857 -14.067 2.537 1.00 0.00 C ATOM 986 O ILE A 88 1.465 -15.128 2.407 1.00 0.00 O ATOM 987 CB ILE A 88 0.894 -13.085 0.241 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.032 -11.789 -0.564 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.513 -13.646 0.114 1.00 0.00 C ATOM 990 CD1 ILE A 88 0.877 -11.976 -2.056 1.00 0.00 C ATOM 0 H ILE A 88 3.187 -12.478 1.018 1.00 0.00 H new ATOM 0 HA ILE A 88 0.685 -11.975 2.078 1.00 0.00 H new ATOM 0 HB ILE A 88 1.592 -13.818 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.284 -11.076 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.009 -11.350 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.744 -13.814 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.579 -14.590 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.227 -12.937 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.988 -11.014 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.642 -12.663 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.110 -12.385 -2.271 1.00 0.00 H new ATOM 1002 N GLY A 89 -0.160 -13.914 3.379 1.00 0.00 N ATOM 1003 CA GLY A 89 -0.592 -15.008 4.229 1.00 0.00 C ATOM 1004 C GLY A 89 0.157 -15.050 5.546 1.00 0.00 C ATOM 1005 O GLY A 89 0.078 -16.032 6.283 1.00 0.00 O ATOM 0 H GLY A 89 -0.693 -13.051 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.660 -14.912 4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.448 -15.952 3.703 1.00 0.00 H new ATOM 1009 N LYS A 90 0.890 -13.981 5.843 1.00 0.00 N ATOM 1010 CA LYS A 90 1.582 -13.858 7.120 1.00 0.00 C ATOM 1011 C LYS A 90 1.089 -12.637 7.891 1.00 0.00 C ATOM 1012 O LYS A 90 1.354 -11.500 7.503 1.00 0.00 O ATOM 1013 CB LYS A 90 3.094 -13.756 6.896 1.00 0.00 C ATOM 1014 CG LYS A 90 3.747 -15.084 6.556 1.00 0.00 C ATOM 1015 CD LYS A 90 3.903 -15.260 5.055 1.00 0.00 C ATOM 1016 CE LYS A 90 4.370 -16.663 4.702 1.00 0.00 C ATOM 1017 NZ LYS A 90 5.828 -16.840 4.943 1.00 0.00 N ATOM 0 H LYS A 90 1.020 -13.187 5.216 1.00 0.00 H new ATOM 0 HA LYS A 90 1.366 -14.749 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.287 -13.048 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.560 -13.351 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.725 -15.143 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.146 -15.900 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.951 -15.058 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.619 -14.531 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.813 -17.390 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.148 -16.867 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.106 -17.810 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.361 -16.163 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.037 -16.671 5.948 1.00 0.00 H new ATOM 1031 N GLN A 91 0.374 -12.883 8.984 1.00 0.00 N ATOM 1032 CA GLN A 91 -0.100 -11.805 9.844 1.00 0.00 C ATOM 1033 C GLN A 91 1.069 -11.064 10.482 1.00 0.00 C ATOM 1034 O GLN A 91 1.683 -11.551 11.433 1.00 0.00 O ATOM 1035 CB GLN A 91 -1.024 -12.355 10.934 1.00 0.00 C ATOM 1036 CG GLN A 91 -1.712 -11.285 11.765 1.00 0.00 C ATOM 1037 CD GLN A 91 -2.655 -11.871 12.798 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -2.817 -13.091 12.889 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -3.287 -11.005 13.580 1.00 0.00 N ATOM 0 H GLN A 91 0.110 -13.818 9.295 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.660 -11.104 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.784 -12.982 10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.444 -12.997 11.597 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.958 -10.679 12.268 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.269 -10.619 11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.123 -10.004 13.470 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.937 -11.340 14.291 1.00 0.00 H new ATOM 1048 N LEU A 92 1.375 -9.885 9.953 1.00 0.00 N ATOM 1049 CA LEU A 92 2.501 -9.096 10.440 1.00 0.00 C ATOM 1050 C LEU A 92 2.042 -7.714 10.893 1.00 0.00 C ATOM 1051 O LEU A 92 1.028 -7.188 10.436 1.00 0.00 O ATOM 1052 CB LEU A 92 3.576 -8.974 9.351 1.00 0.00 C ATOM 1053 CG LEU A 92 4.171 -10.303 8.870 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.112 -10.059 7.698 1.00 0.00 C ATOM 1055 CD2 LEU A 92 4.905 -10.978 10.019 1.00 0.00 C ATOM 0 H LEU A 92 0.859 -9.454 9.186 1.00 0.00 H new ATOM 0 HA LEU A 92 2.931 -9.609 11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.145 -8.456 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.384 -8.348 9.729 1.00 0.00 H new ATOM 0 HG LEU A 92 3.369 -10.960 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.530 -11.008 7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.561 -9.596 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.920 -9.398 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.327 -11.922 9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.707 -10.328 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.208 -11.168 10.835 1.00 0.00 H new ATOM 1067 N PRO A 93 2.809 -7.110 11.815 1.00 0.00 N ATOM 1068 CA PRO A 93 2.531 -5.758 12.310 1.00 0.00 C ATOM 1069 C PRO A 93 2.721 -4.695 11.233 1.00 0.00 C ATOM 1070 O PRO A 93 3.302 -4.961 10.181 1.00 0.00 O ATOM 1071 CB PRO A 93 3.519 -5.578 13.467 1.00 0.00 C ATOM 1072 CG PRO A 93 4.645 -6.498 13.139 1.00 0.00 C ATOM 1073 CD PRO A 93 4.006 -7.690 12.475 1.00 0.00 C ATOM 0 HA PRO A 93 1.493 -5.642 12.622 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.859 -4.545 13.542 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.062 -5.834 14.423 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.365 -6.018 12.476 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.187 -6.792 14.038 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.677 -8.157 11.754 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.734 -8.457 13.200 1.00 0.00 H new ATOM 1081 N LEU A 94 2.228 -3.491 11.504 1.00 0.00 N ATOM 1082 CA LEU A 94 2.284 -2.406 10.531 1.00 0.00 C ATOM 1083 C LEU A 94 3.726 -2.089 10.151 1.00 0.00 C ATOM 1084 O LEU A 94 3.993 -1.577 9.065 1.00 0.00 O ATOM 1085 CB LEU A 94 1.588 -1.156 11.087 1.00 0.00 C ATOM 1086 CG LEU A 94 0.069 -1.276 11.258 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -0.476 -0.037 11.956 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.582 -1.459 9.896 1.00 0.00 C ATOM 0 H LEU A 94 1.786 -3.242 12.389 1.00 0.00 H new ATOM 0 HA LEU A 94 1.760 -2.727 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.028 -0.915 12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.798 -0.317 10.423 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.161 -2.144 11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.556 -0.131 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.012 0.062 12.937 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.251 0.846 11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.662 -1.544 10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.355 -0.599 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.197 -2.365 9.427 1.00 0.00 H new ATOM 1100 N ASN A 95 4.653 -2.400 11.051 1.00 0.00 N ATOM 1101 CA ASN A 95 6.074 -2.229 10.777 1.00 0.00 C ATOM 1102 C ASN A 95 6.567 -3.279 9.786 1.00 0.00 C ATOM 1103 O ASN A 95 7.336 -2.974 8.875 1.00 0.00 O ATOM 1104 CB ASN A 95 6.897 -2.280 12.051 1.00 0.00 C ATOM 1105 CG ASN A 95 6.741 -1.063 12.920 1.00 0.00 C ATOM 1106 OD1 ASN A 95 6.337 0.009 12.455 1.00 0.00 O ATOM 1107 ND2 ASN A 95 7.137 -1.200 14.160 1.00 0.00 N ATOM 0 H ASN A 95 4.445 -2.772 11.977 1.00 0.00 H new ATOM 0 HA ASN A 95 6.203 -1.242 10.333 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.611 -3.163 12.623 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.949 -2.396 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.121 -0.399 14.792 1.00 0.00 H new ATOM 0 HD22 ASN A 95 7.462 -2.107 14.494 1.00 0.00 H new ATOM 1114 N GLN A 96 6.116 -4.516 9.970 1.00 0.00 N ATOM 1115 CA GLN A 96 6.556 -5.622 9.127 1.00 0.00 C ATOM 1116 C GLN A 96 5.496 -5.967 8.085 1.00 0.00 C ATOM 1117 O GLN A 96 5.528 -7.040 7.483 1.00 0.00 O ATOM 1118 CB GLN A 96 6.868 -6.856 9.978 1.00 0.00 C ATOM 1119 CG GLN A 96 7.932 -6.627 11.038 1.00 0.00 C ATOM 1120 CD GLN A 96 9.282 -6.289 10.437 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.735 -6.934 9.488 1.00 0.00 O ATOM 1122 NE2 GLN A 96 9.938 -5.276 10.993 1.00 0.00 N ATOM 0 H GLN A 96 5.447 -4.777 10.694 1.00 0.00 H new ATOM 0 HA GLN A 96 7.463 -5.309 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.951 -7.189 10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.192 -7.664 9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.617 -5.817 11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.025 -7.521 11.655 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.525 -4.770 11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.854 -5.004 10.636 1.00 0.00 H new ATOM 1131 N ALA A 97 4.558 -5.049 7.876 1.00 0.00 N ATOM 1132 CA ALA A 97 3.487 -5.256 6.909 1.00 0.00 C ATOM 1133 C ALA A 97 3.901 -4.780 5.521 1.00 0.00 C ATOM 1134 O ALA A 97 4.505 -3.717 5.373 1.00 0.00 O ATOM 1135 CB ALA A 97 2.224 -4.540 7.360 1.00 0.00 C ATOM 0 H ALA A 97 4.518 -4.154 8.364 1.00 0.00 H new ATOM 0 HA ALA A 97 3.284 -6.325 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.432 -4.703 6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.910 -4.931 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.423 -3.472 7.447 1.00 0.00 H new ATOM 1141 N ARG A 98 3.574 -5.573 4.507 1.00 0.00 N ATOM 1142 CA ARG A 98 3.862 -5.206 3.125 1.00 0.00 C ATOM 1143 C ARG A 98 2.646 -5.444 2.235 1.00 0.00 C ATOM 1144 O ARG A 98 2.780 -5.824 1.073 1.00 0.00 O ATOM 1145 CB ARG A 98 5.097 -5.912 2.586 1.00 0.00 C ATOM 1146 CG ARG A 98 6.364 -5.692 3.398 1.00 0.00 C ATOM 1147 CD ARG A 98 6.910 -4.313 3.321 1.00 0.00 C ATOM 1148 NE ARG A 98 8.193 -4.135 3.982 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.345 -3.845 5.289 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.302 -3.662 6.068 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.573 -3.725 5.763 1.00 0.00 N ATOM 0 H ARG A 98 3.109 -6.474 4.616 1.00 0.00 H new ATOM 0 HA ARG A 98 4.086 -4.139 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.894 -6.982 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.274 -5.575 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.158 -5.931 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.127 -6.391 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.014 -4.035 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.189 -3.625 3.763 1.00 0.00 H new ATOM 0 HE ARG A 98 9.036 -4.237 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.360 -3.739 5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.435 -3.443 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.373 -3.851 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.720 -3.506 6.748 1.00 0.00 H new ATOM 1165 N ALA A 99 1.460 -5.218 2.789 1.00 0.00 N ATOM 1166 CA ALA A 99 0.220 -5.394 2.041 1.00 0.00 C ATOM 1167 C ALA A 99 -0.963 -4.792 2.789 1.00 0.00 C ATOM 1168 O ALA A 99 -1.045 -4.883 4.016 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.024 -6.871 1.764 1.00 0.00 C ATOM 0 H ALA A 99 1.331 -4.912 3.754 1.00 0.00 H new ATOM 0 HA ALA A 99 0.320 -4.869 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.953 -6.988 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.804 -7.273 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.098 -7.411 2.708 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.877 -4.177 2.047 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.070 -3.585 2.639 1.00 0.00 C ATOM 1177 C TRP A 100 -4.280 -3.775 1.729 1.00 0.00 C ATOM 1178 O TRP A 100 -4.153 -3.779 0.505 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.849 -2.097 2.916 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.624 -1.817 3.733 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.578 -1.554 5.069 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.269 -1.773 3.268 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.280 -1.347 5.467 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.544 -1.478 4.376 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.336 -1.957 2.017 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.920 -1.361 4.278 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.716 -1.839 1.919 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.487 -1.550 3.017 1.00 0.00 C ATOM 0 H TRP A 100 -1.814 -4.076 1.034 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.265 -4.093 3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.772 -1.566 1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.721 -1.699 3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.438 -1.514 5.721 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.022 -1.131 6.417 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.260 -2.186 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.529 -1.133 5.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.192 -1.977 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.558 -1.467 2.902 1.00 0.00 H new ATOM 1199 N SER A 101 -5.452 -3.930 2.335 1.00 0.00 N ATOM 1200 CA SER A 101 -6.664 -4.240 1.587 1.00 0.00 C ATOM 1201 C SER A 101 -7.233 -2.987 0.928 1.00 0.00 C ATOM 1202 O SER A 101 -7.109 -1.883 1.459 1.00 0.00 O ATOM 1203 CB SER A 101 -7.696 -4.875 2.500 1.00 0.00 C ATOM 1204 OG SER A 101 -8.930 -5.050 1.859 1.00 0.00 O ATOM 0 H SER A 101 -5.588 -3.846 3.342 1.00 0.00 H new ATOM 0 HA SER A 101 -6.409 -4.949 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.328 -5.841 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.832 -4.250 3.383 1.00 0.00 H new ATOM 0 HG SER A 101 -9.454 -5.727 2.337 1.00 0.00 H new ATOM 1210 N TRP A 102 -7.856 -3.166 -0.231 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.672 -2.115 -0.829 1.00 0.00 C ATOM 1212 C TRP A 102 -9.793 -1.693 0.112 1.00 0.00 C ATOM 1213 O TRP A 102 -10.225 -0.541 0.098 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.260 -2.594 -2.159 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.407 -2.255 -3.343 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -7.794 -3.134 -4.190 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.068 -0.943 -3.807 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.095 -2.448 -5.154 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.249 -1.103 -4.942 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.378 0.349 -3.377 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.737 -0.018 -5.648 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.871 1.425 -4.078 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.058 1.236 -5.204 1.00 0.00 C ATOM 0 H TRP A 102 -7.812 -4.028 -0.775 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.032 -1.252 -1.011 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.399 -3.674 -2.118 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.247 -2.150 -2.292 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.850 -4.210 -4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.550 -2.871 -5.905 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.004 0.504 -2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.109 -0.161 -6.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.105 2.428 -3.754 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.677 2.098 -5.732 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.259 -2.632 0.930 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.245 -2.326 1.960 1.00 0.00 C ATOM 1236 C GLU A 103 -10.625 -1.490 3.077 1.00 0.00 C ATOM 1237 O GLU A 103 -11.291 -0.644 3.676 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.840 -3.615 2.534 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.772 -4.354 1.583 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.941 -3.498 1.187 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -14.593 -2.976 2.060 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.115 -3.272 0.012 1.00 0.00 O ATOM 0 H GLU A 103 -9.970 -3.610 0.899 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.044 -1.745 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.026 -4.282 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.387 -3.374 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.221 -4.655 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.132 -5.266 2.059 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.348 -1.734 3.350 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.593 -0.900 4.278 1.00 0.00 C ATOM 1251 C PHE A 104 -8.426 0.513 3.726 1.00 0.00 C ATOM 1252 O PHE A 104 -8.638 1.497 4.436 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.224 -1.521 4.565 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.374 -0.707 5.500 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.599 -0.739 6.868 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.349 0.090 5.013 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.817 0.009 7.729 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.566 0.837 5.872 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.801 0.797 7.230 1.00 0.00 C ATOM 0 H PHE A 104 -8.814 -2.502 2.942 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.153 -0.840 5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.368 -2.514 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.690 -1.652 3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.393 -1.354 7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.161 0.127 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.002 -0.024 8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.770 1.452 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.190 1.382 7.902 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.044 0.605 2.457 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.914 1.895 1.790 1.00 0.00 C ATOM 1271 C ILE A 105 -9.235 2.655 1.802 1.00 0.00 C ATOM 1272 O ILE A 105 -9.267 3.864 2.029 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.438 1.733 0.335 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.998 1.217 0.298 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.553 3.053 -0.412 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.542 0.774 -1.074 1.00 0.00 C ATOM 0 H ILE A 105 -7.819 -0.198 1.870 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.167 2.463 2.344 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.078 1.002 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.332 2.002 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.904 0.380 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.212 2.921 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.593 3.381 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.936 3.805 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.512 0.422 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.183 -0.033 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.602 1.614 -1.766 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.326 1.938 1.558 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.657 2.536 1.579 1.00 0.00 C ATOM 1290 C LYS A 106 -11.994 3.064 2.968 1.00 0.00 C ATOM 1291 O LYS A 106 -12.505 4.174 3.114 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.709 1.520 1.131 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.722 1.246 -0.366 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.551 0.015 -0.697 1.00 0.00 C ATOM 1295 CE LYS A 106 -15.013 0.215 -0.325 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.846 -0.964 -0.690 1.00 0.00 N ATOM 0 H LYS A 106 -10.316 0.941 1.343 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.661 3.374 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.538 0.582 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.694 1.879 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.126 2.111 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.701 1.105 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.471 -0.204 -1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.153 -0.848 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.093 0.398 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.398 1.101 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.728 -0.949 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.070 -0.930 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.322 -1.838 -0.480 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.700 2.264 3.989 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.927 2.673 5.372 1.00 0.00 C ATOM 1312 C ASN A 107 -11.077 3.889 5.724 1.00 0.00 C ATOM 1313 O ASN A 107 -11.509 4.762 6.477 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.650 1.537 6.341 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.703 0.463 6.330 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.839 0.683 5.892 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.358 -0.671 6.884 1.00 0.00 N ATOM 0 H ASN A 107 -11.304 1.330 3.885 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.979 2.944 5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.686 1.091 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.568 1.943 7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.040 -1.425 6.970 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.407 -0.801 7.229 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.867 3.938 5.178 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.969 5.063 5.409 1.00 0.00 C ATOM 1326 C ARG A 108 -9.504 6.330 4.752 1.00 0.00 C ATOM 1327 O ARG A 108 -9.383 7.427 5.302 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.544 4.761 4.970 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.789 3.791 5.864 1.00 0.00 C ATOM 1330 CD ARG A 108 -6.457 4.330 7.207 1.00 0.00 C ATOM 1331 NE ARG A 108 -5.509 5.432 7.198 1.00 0.00 N ATOM 1332 CZ ARG A 108 -5.176 6.165 8.278 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -5.738 5.944 9.445 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -4.287 7.131 8.127 1.00 0.00 N ATOM 0 H ARG A 108 -9.485 3.211 4.572 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.932 5.233 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.570 4.355 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.988 5.697 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.386 2.887 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.866 3.498 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.377 4.663 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.051 3.524 7.818 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.064 5.667 6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.438 5.208 9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.475 6.508 10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.873 7.305 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.015 7.703 8.926 1.00 0.00 H new ATOM 1348 N LEU A 109 -10.094 6.174 3.571 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.754 7.284 2.894 1.00 0.00 C ATOM 1350 C LEU A 109 -12.010 7.712 3.646 1.00 0.00 C ATOM 1351 O LEU A 109 -12.366 8.890 3.662 1.00 0.00 O ATOM 1352 CB LEU A 109 -11.101 6.895 1.451 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.898 6.706 0.518 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -10.357 6.142 -0.819 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -9.189 8.038 0.326 1.00 0.00 C ATOM 0 H LEU A 109 -10.128 5.290 3.063 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.066 8.130 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.675 5.969 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.749 7.664 1.030 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.200 5.998 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.496 6.012 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.841 5.179 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.063 6.831 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.334 7.903 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.879 8.758 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.844 8.409 1.291 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.676 6.748 4.271 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.829 7.036 5.116 1.00 0.00 C ATOM 1369 C LYS A 110 -13.407 7.791 6.374 1.00 0.00 C ATOM 1370 O LYS A 110 -14.175 8.584 6.918 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.555 5.744 5.492 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.318 5.094 4.346 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.947 3.777 4.777 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.742 3.146 3.644 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.371 1.861 4.054 1.00 0.00 N ATOM 0 H LYS A 110 -12.437 5.758 4.208 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.513 7.669 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.826 5.031 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.252 5.956 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.095 5.772 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.642 4.920 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.167 3.089 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.601 3.947 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.515 3.839 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.084 2.972 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.903 1.464 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.632 1.190 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.018 2.030 4.850 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.184 7.539 6.827 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.628 8.260 7.965 1.00 0.00 C ATOM 1391 C GLU A 111 -11.324 9.709 7.596 1.00 0.00 C ATOM 1392 O GLU A 111 -11.368 10.601 8.443 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.361 7.567 8.474 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.609 6.229 9.157 1.00 0.00 C ATOM 1395 CD GLU A 111 -11.525 6.380 10.338 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -11.251 7.201 11.179 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -12.560 5.755 10.344 1.00 0.00 O ATOM 0 H GLU A 111 -11.559 6.841 6.423 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.372 8.257 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.683 7.413 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.855 8.231 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.044 5.529 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.660 5.803 9.482 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.016 9.937 6.323 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.736 11.283 5.833 1.00 0.00 C ATOM 1406 C LEU A 112 -12.019 12.099 5.726 1.00 0.00 C ATOM 1407 O LEU A 112 -11.999 13.325 5.834 1.00 0.00 O ATOM 1408 CB LEU A 112 -10.028 11.217 4.475 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.616 10.617 4.502 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -8.068 10.504 3.086 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.710 11.486 5.364 1.00 0.00 C ATOM 0 H LEU A 112 -10.954 9.208 5.612 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.078 11.778 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.642 10.630 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.969 12.225 4.065 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.655 9.616 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.066 10.077 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.719 9.860 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.027 11.494 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.707 11.059 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.668 12.493 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.105 11.529 6.379 1.00 0.00 H new ATOM 1423 N ASN A 113 -13.138 11.412 5.516 1.00 0.00 N ATOM 1424 CA ASN A 113 -14.429 12.075 5.377 1.00 0.00 C ATOM 1425 C ASN A 113 -15.193 12.063 6.697 1.00 0.00 C ATOM 1426 O ASN A 113 -15.220 11.052 7.402 1.00 0.00 O ATOM 1427 CB ASN A 113 -15.264 11.441 4.278 1.00 0.00 C ATOM 1428 CG ASN A 113 -14.709 11.654 2.898 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -14.001 12.633 2.634 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -15.091 10.788 1.995 1.00 0.00 N ATOM 0 H ASN A 113 -13.176 10.396 5.438 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.235 13.111 5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.344 10.370 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.274 11.848 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -14.804 10.905 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.675 9.996 2.263 1.00 0.00 H new ATOM 1437 N LEU A 114 -15.814 13.190 7.026 1.00 0.00 N ATOM 1438 CA LEU A 114 -16.566 13.314 8.270 1.00 0.00 C ATOM 1439 C LEU A 114 -18.064 13.401 7.994 1.00 0.00 C ATOM 1440 O LEU A 114 -18.857 12.673 8.589 1.00 0.00 O ATOM 1441 CB LEU A 114 -16.093 14.544 9.056 1.00 0.00 C ATOM 1442 CG LEU A 114 -14.606 14.547 9.432 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -14.250 15.843 10.148 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -14.301 13.344 10.312 1.00 0.00 C ATOM 1445 OXT LEU A 114 -18.482 14.186 7.189 1.00 0.00 O ATOM 0 H LEU A 114 -15.812 14.031 6.449 1.00 0.00 H new ATOM 0 HA LEU A 114 -16.384 12.423 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -16.304 15.436 8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -16.682 14.620 9.970 1.00 0.00 H new ATOM 0 HG LEU A 114 -14.003 14.481 8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -13.192 15.835 10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -14.455 16.689 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -14.848 15.934 11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.244 13.347 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -14.904 13.394 11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -14.536 12.428 9.770 1.00 0.00 H new TER 1457 LEU A 114