USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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 72 ASN : amide:sc= 1.92 K(o=3.1,f=-4.2!) USER MOD Set 1.2: A 96 THR OG1 : rot 69:sc= 1.17 USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.272 K(o=0.44,f=-2.8!) USER MOD Set 2.2: A 81 HIS : no HE2:sc= 0.17 K(o=0.44,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.222 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.156 USER MOD Single : A 5 SER OG : rot 10:sc= 0.777 USER MOD Single : A 6 SER OG : rot 3:sc= 0.526 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.4!) USER MOD Single : A 11 THR OG1 : rot -150:sc= 0.0269 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -129:sc= 1.24 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -112:sc= 1.25 USER MOD Single : A 59 CYS SG : rot 151:sc= 0.138 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 134:sc= 0.187 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0663 K(o=-0.066,f=-2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl -157:sc= -1.04 (180deg=-1.97) USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= -0.123 (180deg=-1.18) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.133) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 102 GLN : amide:sc= -0.961 X(o=-0.96,f=-0.81) USER MOD Single : A 106 ASN : amide:sc= -0.0295 X(o=-0.03,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.999 -22.109 -32.607 1.00 0.00 N ATOM 2 CA GLY A 1 -7.491 -21.072 -33.529 1.00 0.00 C ATOM 3 C GLY A 1 -8.650 -20.348 -32.871 1.00 0.00 C ATOM 4 O GLY A 1 -9.163 -20.861 -31.880 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.103 -21.798 -32.181 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.702 -22.269 -31.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.844 -22.994 -33.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.693 -20.369 -33.768 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.811 -21.522 -34.469 1.00 0.00 H new ATOM 8 N SER A 2 -9.045 -19.195 -33.416 1.00 0.00 N ATOM 9 CA SER A 2 -10.013 -18.284 -32.805 1.00 0.00 C ATOM 10 C SER A 2 -9.521 -17.762 -31.443 1.00 0.00 C ATOM 11 O SER A 2 -8.414 -18.085 -31.002 1.00 0.00 O ATOM 12 CB SER A 2 -11.403 -18.945 -32.749 1.00 0.00 C ATOM 13 OG SER A 2 -11.717 -19.512 -34.012 1.00 0.00 O ATOM 0 H SER A 2 -8.693 -18.863 -34.314 1.00 0.00 H new ATOM 0 HA SER A 2 -10.111 -17.397 -33.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.418 -19.717 -31.980 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.156 -18.207 -32.474 1.00 0.00 H new ATOM 0 HG SER A 2 -12.601 -19.933 -33.971 1.00 0.00 H new ATOM 19 N SER A 3 -10.307 -16.888 -30.816 1.00 0.00 N ATOM 20 CA SER A 3 -10.068 -16.372 -29.479 1.00 0.00 C ATOM 21 C SER A 3 -10.290 -17.491 -28.458 1.00 0.00 C ATOM 22 O SER A 3 -11.366 -18.091 -28.452 1.00 0.00 O ATOM 23 CB SER A 3 -11.045 -15.212 -29.238 1.00 0.00 C ATOM 24 OG SER A 3 -12.344 -15.557 -29.696 1.00 0.00 O ATOM 0 H SER A 3 -11.153 -16.511 -31.243 1.00 0.00 H new ATOM 0 HA SER A 3 -9.044 -16.014 -29.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.079 -14.971 -28.175 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.695 -14.319 -29.756 1.00 0.00 H new ATOM 0 HG SER A 3 -12.561 -16.468 -29.408 1.00 0.00 H new ATOM 30 N GLY A 4 -9.308 -17.741 -27.591 1.00 0.00 N ATOM 31 CA GLY A 4 -9.511 -18.530 -26.382 1.00 0.00 C ATOM 32 C GLY A 4 -10.167 -17.672 -25.298 1.00 0.00 C ATOM 33 O GLY A 4 -10.499 -16.501 -25.511 1.00 0.00 O ATOM 0 H GLY A 4 -8.353 -17.402 -27.709 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.139 -19.393 -26.603 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.556 -18.914 -26.024 1.00 0.00 H new ATOM 37 N SER A 5 -10.356 -18.242 -24.115 1.00 0.00 N ATOM 38 CA SER A 5 -10.750 -17.545 -22.899 1.00 0.00 C ATOM 39 C SER A 5 -10.209 -18.364 -21.725 1.00 0.00 C ATOM 40 O SER A 5 -10.403 -19.581 -21.681 1.00 0.00 O ATOM 41 CB SER A 5 -12.277 -17.400 -22.838 1.00 0.00 C ATOM 42 OG SER A 5 -12.721 -16.505 -23.849 1.00 0.00 O ATOM 0 H SER A 5 -10.234 -19.244 -23.971 1.00 0.00 H new ATOM 0 HA SER A 5 -10.343 -16.534 -22.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.749 -18.374 -22.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.577 -17.031 -21.857 1.00 0.00 H new ATOM 0 HG SER A 5 -11.978 -16.301 -24.455 1.00 0.00 H new ATOM 48 N SER A 6 -9.457 -17.733 -20.823 1.00 0.00 N ATOM 49 CA SER A 6 -8.994 -18.294 -19.555 1.00 0.00 C ATOM 50 C SER A 6 -8.777 -17.143 -18.563 1.00 0.00 C ATOM 51 O SER A 6 -8.773 -15.973 -18.972 1.00 0.00 O ATOM 52 CB SER A 6 -7.699 -19.093 -19.776 1.00 0.00 C ATOM 53 OG SER A 6 -7.948 -20.166 -20.668 1.00 0.00 O ATOM 0 H SER A 6 -9.140 -16.774 -20.963 1.00 0.00 H new ATOM 0 HA SER A 6 -9.738 -18.979 -19.148 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.923 -18.443 -20.181 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.329 -19.476 -18.825 1.00 0.00 H new ATOM 0 HG SER A 6 -8.876 -20.124 -20.979 1.00 0.00 H new ATOM 59 N GLY A 7 -8.606 -17.439 -17.274 1.00 0.00 N ATOM 60 CA GLY A 7 -8.637 -16.452 -16.209 1.00 0.00 C ATOM 61 C GLY A 7 -9.458 -17.054 -15.088 1.00 0.00 C ATOM 62 O GLY A 7 -10.688 -16.947 -15.077 1.00 0.00 O ATOM 0 H GLY A 7 -8.440 -18.389 -16.942 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.629 -16.217 -15.868 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.081 -15.519 -16.557 1.00 0.00 H new ATOM 66 N SER A 8 -8.782 -17.782 -14.206 1.00 0.00 N ATOM 67 CA SER A 8 -9.400 -18.490 -13.098 1.00 0.00 C ATOM 68 C SER A 8 -9.559 -17.619 -11.844 1.00 0.00 C ATOM 69 O SER A 8 -10.443 -17.879 -11.022 1.00 0.00 O ATOM 70 CB SER A 8 -8.505 -19.681 -12.791 1.00 0.00 C ATOM 71 OG SER A 8 -8.559 -20.680 -13.778 1.00 0.00 O ATOM 0 H SER A 8 -7.769 -17.897 -14.245 1.00 0.00 H new ATOM 0 HA SER A 8 -10.408 -18.791 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.476 -19.337 -12.686 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.797 -20.110 -11.832 1.00 0.00 H new ATOM 0 HG SER A 8 -7.964 -21.418 -13.529 1.00 0.00 H new ATOM 77 N LEU A 9 -8.712 -16.598 -11.672 1.00 0.00 N ATOM 78 CA LEU A 9 -8.483 -15.960 -10.380 1.00 0.00 C ATOM 79 C LEU A 9 -9.102 -14.567 -10.347 1.00 0.00 C ATOM 80 O LEU A 9 -8.474 -13.604 -10.801 1.00 0.00 O ATOM 81 CB LEU A 9 -6.973 -15.911 -10.081 1.00 0.00 C ATOM 82 CG LEU A 9 -6.664 -15.469 -8.638 1.00 0.00 C ATOM 83 CD1 LEU A 9 -6.912 -16.594 -7.629 1.00 0.00 C ATOM 84 CD2 LEU A 9 -5.206 -15.021 -8.525 1.00 0.00 C ATOM 0 H LEU A 9 -8.166 -16.192 -12.432 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.968 -16.550 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.541 -16.896 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.491 -15.224 -10.777 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.335 -14.642 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.682 -16.239 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.957 -16.900 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.274 -17.445 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.999 -14.711 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.549 -15.849 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.029 -14.184 -9.200 1.00 0.00 H new ATOM 96 N GLN A 10 -10.311 -14.445 -9.794 1.00 0.00 N ATOM 97 CA GLN A 10 -10.905 -13.144 -9.512 1.00 0.00 C ATOM 98 C GLN A 10 -10.040 -12.376 -8.503 1.00 0.00 C ATOM 99 O GLN A 10 -9.611 -12.908 -7.471 1.00 0.00 O ATOM 100 CB GLN A 10 -12.357 -13.283 -8.996 1.00 0.00 C ATOM 101 CG GLN A 10 -13.407 -13.226 -10.124 1.00 0.00 C ATOM 102 CD GLN A 10 -13.590 -11.817 -10.702 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.689 -10.983 -10.659 1.00 0.00 O ATOM 104 NE2 GLN A 10 -14.731 -11.493 -11.284 1.00 0.00 N ATOM 0 H GLN A 10 -10.897 -15.238 -9.533 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.943 -12.580 -10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.458 -14.228 -8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.559 -12.488 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.110 -13.905 -10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.363 -13.583 -9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.491 -12.172 -11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.852 -10.564 -11.688 1.00 0.00 H new ATOM 113 N THR A 11 -9.797 -11.109 -8.825 1.00 0.00 N ATOM 114 CA THR A 11 -9.266 -10.047 -7.985 1.00 0.00 C ATOM 115 C THR A 11 -10.054 -8.788 -8.358 1.00 0.00 C ATOM 116 O THR A 11 -10.738 -8.787 -9.385 1.00 0.00 O ATOM 117 CB THR A 11 -7.742 -9.850 -8.175 1.00 0.00 C ATOM 118 OG1 THR A 11 -7.373 -9.385 -9.463 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.924 -11.110 -7.881 1.00 0.00 C ATOM 0 H THR A 11 -9.985 -10.771 -9.769 1.00 0.00 H new ATOM 0 HA THR A 11 -9.383 -10.292 -6.929 1.00 0.00 H new ATOM 0 HB THR A 11 -7.507 -9.080 -7.441 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.479 -9.719 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.865 -10.900 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.087 -11.417 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.236 -11.911 -8.551 1.00 0.00 H new ATOM 127 N SER A 12 -9.933 -7.713 -7.590 1.00 0.00 N ATOM 128 CA SER A 12 -10.303 -6.386 -8.036 1.00 0.00 C ATOM 129 C SER A 12 -9.079 -5.501 -7.885 1.00 0.00 C ATOM 130 O SER A 12 -8.216 -5.734 -7.039 1.00 0.00 O ATOM 131 CB SER A 12 -11.506 -5.852 -7.258 1.00 0.00 C ATOM 132 OG SER A 12 -12.715 -6.383 -7.766 1.00 0.00 O ATOM 0 H SER A 12 -9.573 -7.743 -6.636 1.00 0.00 H new ATOM 0 HA SER A 12 -10.616 -6.404 -9.080 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.406 -6.111 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.529 -4.764 -7.319 1.00 0.00 H new ATOM 0 HG SER A 12 -13.470 -6.028 -7.251 1.00 0.00 H new ATOM 138 N ASP A 13 -9.026 -4.489 -8.728 1.00 0.00 N ATOM 139 CA ASP A 13 -8.043 -3.429 -8.811 1.00 0.00 C ATOM 140 C ASP A 13 -8.755 -2.183 -8.323 1.00 0.00 C ATOM 141 O ASP A 13 -9.885 -1.908 -8.738 1.00 0.00 O ATOM 142 CB ASP A 13 -7.515 -3.233 -10.248 1.00 0.00 C ATOM 143 CG ASP A 13 -8.608 -3.225 -11.337 1.00 0.00 C ATOM 144 OD1 ASP A 13 -9.312 -4.253 -11.516 1.00 0.00 O ATOM 145 OD2 ASP A 13 -8.688 -2.268 -12.139 1.00 0.00 O ATOM 0 H ASP A 13 -9.744 -4.379 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.165 -3.665 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.967 -2.292 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.803 -4.028 -10.471 1.00 0.00 H new ATOM 150 N VAL A 14 -8.113 -1.474 -7.398 1.00 0.00 N ATOM 151 CA VAL A 14 -8.626 -0.254 -6.808 1.00 0.00 C ATOM 152 C VAL A 14 -7.487 0.752 -6.838 1.00 0.00 C ATOM 153 O VAL A 14 -6.487 0.552 -6.147 1.00 0.00 O ATOM 154 CB VAL A 14 -9.166 -0.506 -5.385 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.940 0.737 -4.936 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.060 -1.755 -5.301 1.00 0.00 C ATOM 0 H VAL A 14 -7.200 -1.744 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.477 0.134 -7.368 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.319 -0.693 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.331 0.579 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.274 1.600 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.767 0.918 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.411 -1.883 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.915 -1.635 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.488 -2.633 -5.601 1.00 0.00 H new ATOM 166 N VAL A 15 -7.584 1.770 -7.686 1.00 0.00 N ATOM 167 CA VAL A 15 -6.606 2.842 -7.770 1.00 0.00 C ATOM 168 C VAL A 15 -7.184 4.035 -7.010 1.00 0.00 C ATOM 169 O VAL A 15 -8.362 4.378 -7.153 1.00 0.00 O ATOM 170 CB VAL A 15 -6.230 3.105 -9.243 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.390 3.620 -10.105 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.039 4.066 -9.338 1.00 0.00 C ATOM 0 H VAL A 15 -8.357 1.873 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.655 2.590 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.956 2.132 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.042 3.779 -11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.196 2.886 -10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.757 4.561 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.792 4.237 -10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.298 5.014 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.179 3.631 -8.829 1.00 0.00 H new ATOM 182 N ILE A 16 -6.374 4.640 -6.143 1.00 0.00 N ATOM 183 CA ILE A 16 -6.745 5.806 -5.353 1.00 0.00 C ATOM 184 C ILE A 16 -5.557 6.763 -5.421 1.00 0.00 C ATOM 185 O ILE A 16 -4.401 6.330 -5.464 1.00 0.00 O ATOM 186 CB ILE A 16 -7.098 5.389 -3.902 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.278 4.389 -3.832 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.478 6.611 -3.038 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.294 3.588 -2.529 1.00 0.00 C ATOM 0 H ILE A 16 -5.420 4.324 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.638 6.297 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.197 4.910 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.217 4.933 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.218 3.702 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.719 6.281 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.639 7.306 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.344 7.109 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.142 2.903 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.368 3.019 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.383 4.270 -1.684 1.00 0.00 H new ATOM 201 N HIS A 17 -5.846 8.065 -5.394 1.00 0.00 N ATOM 202 CA HIS A 17 -4.854 9.128 -5.456 1.00 0.00 C ATOM 203 C HIS A 17 -4.959 9.999 -4.206 1.00 0.00 C ATOM 204 O HIS A 17 -6.017 10.036 -3.573 1.00 0.00 O ATOM 205 CB HIS A 17 -5.065 9.943 -6.736 1.00 0.00 C ATOM 206 CG HIS A 17 -5.008 9.068 -7.961 1.00 0.00 C ATOM 207 ND1 HIS A 17 -3.877 8.476 -8.480 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.081 8.634 -8.690 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.260 7.698 -9.506 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.590 7.769 -9.669 1.00 0.00 N ATOM 0 H HIS A 17 -6.802 8.413 -5.327 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.849 8.707 -5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.030 10.448 -6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.302 10.718 -6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.114 8.909 -8.537 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.594 7.102 -10.112 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.140 7.282 -10.377 1.00 0.00 H new ATOM 218 N ARG A 18 -3.903 10.744 -3.866 1.00 0.00 N ATOM 219 CA ARG A 18 -3.941 11.775 -2.829 1.00 0.00 C ATOM 220 C ARG A 18 -3.114 12.965 -3.297 1.00 0.00 C ATOM 221 O ARG A 18 -2.901 13.110 -4.497 1.00 0.00 O ATOM 222 CB ARG A 18 -3.511 11.202 -1.474 1.00 0.00 C ATOM 223 CG ARG A 18 -2.049 10.725 -1.420 1.00 0.00 C ATOM 224 CD ARG A 18 -1.687 10.260 -0.012 1.00 0.00 C ATOM 225 NE ARG A 18 -0.298 10.578 0.366 1.00 0.00 N ATOM 226 CZ ARG A 18 0.322 10.070 1.439 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.050 8.880 1.892 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.279 10.744 2.070 1.00 0.00 N ATOM 0 H ARG A 18 -2.989 10.646 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.959 12.131 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.661 11.963 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.163 10.365 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.901 9.909 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.385 11.535 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.366 10.724 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.838 9.183 0.058 1.00 0.00 H new ATOM 0 HE ARG A 18 0.223 11.225 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.797 8.367 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.411 8.478 2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.555 11.668 1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.737 10.337 2.885 1.00 0.00 H new ATOM 242 N LYS A 19 -2.712 13.847 -2.386 1.00 0.00 N ATOM 243 CA LYS A 19 -1.750 14.907 -2.633 1.00 0.00 C ATOM 244 C LYS A 19 -0.600 14.695 -1.663 1.00 0.00 C ATOM 245 O LYS A 19 -0.727 13.891 -0.735 1.00 0.00 O ATOM 246 CB LYS A 19 -2.396 16.283 -2.461 1.00 0.00 C ATOM 247 CG LYS A 19 -3.511 16.528 -3.483 1.00 0.00 C ATOM 248 CD LYS A 19 -4.876 15.967 -3.035 1.00 0.00 C ATOM 249 CE LYS A 19 -5.460 14.911 -3.987 1.00 0.00 C ATOM 250 NZ LYS A 19 -6.762 15.339 -4.535 1.00 0.00 N ATOM 0 H LYS A 19 -3.060 13.840 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.385 14.873 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.803 16.368 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.634 17.056 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.605 17.600 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.232 16.072 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.769 15.528 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.584 16.791 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.762 14.730 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.580 13.967 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.128 14.604 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.435 15.488 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.642 16.227 -5.063 1.00 0.00 H new ATOM 264 N GLU A 20 0.505 15.411 -1.843 1.00 0.00 N ATOM 265 CA GLU A 20 1.639 15.283 -0.924 1.00 0.00 C ATOM 266 C GLU A 20 1.227 15.772 0.470 1.00 0.00 C ATOM 267 O GLU A 20 1.741 15.293 1.478 1.00 0.00 O ATOM 268 CB GLU A 20 2.861 16.069 -1.442 1.00 0.00 C ATOM 269 CG GLU A 20 3.724 15.385 -2.517 1.00 0.00 C ATOM 270 CD GLU A 20 4.465 14.135 -2.029 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.226 13.657 -0.901 1.00 0.00 O ATOM 272 OE2 GLU A 20 5.304 13.567 -2.769 1.00 0.00 O ATOM 0 H GLU A 20 0.643 16.077 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 20 1.926 14.233 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.508 17.019 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.501 16.301 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.087 15.110 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.454 16.103 -2.891 1.00 0.00 H new ATOM 279 N ASN A 21 0.259 16.689 0.545 1.00 0.00 N ATOM 280 CA ASN A 21 -0.132 17.326 1.796 1.00 0.00 C ATOM 281 C ASN A 21 -1.068 16.486 2.673 1.00 0.00 C ATOM 282 O ASN A 21 -1.393 16.906 3.785 1.00 0.00 O ATOM 283 CB ASN A 21 -0.800 18.671 1.489 1.00 0.00 C ATOM 284 CG ASN A 21 -0.529 19.648 2.622 1.00 0.00 C ATOM 285 OD1 ASN A 21 0.565 20.203 2.680 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.471 19.874 3.519 1.00 0.00 N ATOM 0 H ASN A 21 -0.274 17.008 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 21 0.786 17.453 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.417 19.072 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.874 18.534 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.300 20.524 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.370 19.398 3.445 1.00 0.00 H new ATOM 293 N GLU A 22 -1.562 15.340 2.199 1.00 0.00 N ATOM 294 CA GLU A 22 -2.605 14.573 2.880 1.00 0.00 C ATOM 295 C GLU A 22 -2.332 13.070 2.763 1.00 0.00 C ATOM 296 O GLU A 22 -1.347 12.673 2.141 1.00 0.00 O ATOM 297 CB GLU A 22 -3.997 15.024 2.383 1.00 0.00 C ATOM 298 CG GLU A 22 -4.282 14.851 0.882 1.00 0.00 C ATOM 299 CD GLU A 22 -5.538 15.623 0.436 1.00 0.00 C ATOM 300 OE1 GLU A 22 -5.522 16.876 0.453 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.521 14.993 -0.028 1.00 0.00 O ATOM 0 H GLU A 22 -1.247 14.916 1.326 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.593 14.777 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.753 14.470 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.124 16.077 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.422 15.197 0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.410 13.792 0.658 1.00 0.00 H new ATOM 308 N GLY A 23 -3.160 12.235 3.403 1.00 0.00 N ATOM 309 CA GLY A 23 -2.936 10.796 3.524 1.00 0.00 C ATOM 310 C GLY A 23 -3.901 10.007 2.642 1.00 0.00 C ATOM 311 O GLY A 23 -4.840 10.566 2.078 1.00 0.00 O ATOM 0 H GLY A 23 -4.017 12.549 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.909 10.561 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.060 10.493 4.564 1.00 0.00 H new ATOM 315 N PHE A 24 -3.695 8.691 2.528 1.00 0.00 N ATOM 316 CA PHE A 24 -4.714 7.796 2.021 1.00 0.00 C ATOM 317 C PHE A 24 -5.596 7.431 3.201 1.00 0.00 C ATOM 318 O PHE A 24 -5.103 7.131 4.293 1.00 0.00 O ATOM 319 CB PHE A 24 -4.110 6.521 1.445 1.00 0.00 C ATOM 320 CG PHE A 24 -3.149 6.718 0.302 1.00 0.00 C ATOM 321 CD1 PHE A 24 -3.645 6.976 -0.988 1.00 0.00 C ATOM 322 CD2 PHE A 24 -1.764 6.595 0.514 1.00 0.00 C ATOM 323 CE1 PHE A 24 -2.755 7.093 -2.066 1.00 0.00 C ATOM 324 CE2 PHE A 24 -0.877 6.732 -0.567 1.00 0.00 C ATOM 325 CZ PHE A 24 -1.373 6.961 -1.858 1.00 0.00 C ATOM 0 H PHE A 24 -2.822 8.230 2.785 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.268 8.286 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.592 5.991 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.921 5.876 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.708 7.084 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.383 6.396 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.134 7.285 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.188 6.661 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.692 7.036 -2.693 1.00 0.00 H new ATOM 335 N GLY A 25 -6.898 7.408 2.975 1.00 0.00 N ATOM 336 CA GLY A 25 -7.887 7.122 3.985 1.00 0.00 C ATOM 337 C GLY A 25 -8.283 5.659 3.881 1.00 0.00 C ATOM 338 O GLY A 25 -9.351 5.334 3.376 1.00 0.00 O ATOM 0 H GLY A 25 -7.302 7.594 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.487 7.335 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.760 7.760 3.850 1.00 0.00 H new ATOM 342 N PHE A 26 -7.424 4.774 4.343 1.00 0.00 N ATOM 343 CA PHE A 26 -7.747 3.389 4.624 1.00 0.00 C ATOM 344 C PHE A 26 -6.713 2.878 5.622 1.00 0.00 C ATOM 345 O PHE A 26 -5.576 3.359 5.618 1.00 0.00 O ATOM 346 CB PHE A 26 -7.737 2.582 3.307 1.00 0.00 C ATOM 347 CG PHE A 26 -6.348 2.291 2.752 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.632 3.286 2.064 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.747 1.038 2.971 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.318 3.034 1.629 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.433 0.787 2.538 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.714 1.789 1.868 1.00 0.00 C ATOM 0 H PHE A 26 -6.450 5.006 4.540 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.743 3.282 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.254 1.636 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.307 3.130 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.091 4.244 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.301 0.261 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.769 3.804 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.978 -0.175 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.702 1.604 1.538 1.00 0.00 H new ATOM 362 N VAL A 27 -7.093 1.942 6.491 1.00 0.00 N ATOM 363 CA VAL A 27 -6.238 1.463 7.569 1.00 0.00 C ATOM 364 C VAL A 27 -6.368 -0.054 7.657 1.00 0.00 C ATOM 365 O VAL A 27 -7.491 -0.565 7.713 1.00 0.00 O ATOM 366 CB VAL A 27 -6.618 2.135 8.901 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.607 1.810 10.009 1.00 0.00 C ATOM 368 CG2 VAL A 27 -6.690 3.659 8.818 1.00 0.00 C ATOM 0 H VAL A 27 -8.009 1.494 6.464 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.200 1.722 7.362 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.605 1.733 9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.909 2.302 10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.573 0.732 10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.619 2.165 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.963 4.064 9.793 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.719 4.053 8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.440 3.948 8.082 1.00 0.00 H new ATOM 378 N ILE A 28 -5.245 -0.768 7.708 1.00 0.00 N ATOM 379 CA ILE A 28 -5.187 -2.225 7.815 1.00 0.00 C ATOM 380 C ILE A 28 -5.638 -2.665 9.233 1.00 0.00 C ATOM 381 O ILE A 28 -5.494 -1.899 10.191 1.00 0.00 O ATOM 382 CB ILE A 28 -3.734 -2.669 7.484 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.274 -2.211 6.070 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.520 -4.192 7.572 1.00 0.00 C ATOM 385 CD1 ILE A 28 -1.781 -1.857 6.029 1.00 0.00 C ATOM 0 H ILE A 28 -4.322 -0.335 7.675 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.866 -2.705 7.110 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.134 -2.178 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.477 -3.004 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.859 -1.344 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.484 -4.429 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.742 -4.533 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.182 -4.694 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.509 -1.543 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.580 -1.045 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.192 -2.731 6.309 1.00 0.00 H new ATOM 397 N ILE A 29 -6.148 -3.894 9.389 1.00 0.00 N ATOM 398 CA ILE A 29 -6.086 -4.743 10.561 1.00 0.00 C ATOM 399 C ILE A 29 -5.705 -6.172 10.130 1.00 0.00 C ATOM 400 O ILE A 29 -5.590 -6.461 8.933 1.00 0.00 O ATOM 401 CB ILE A 29 -7.421 -4.747 11.326 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.637 -5.278 10.536 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.705 -3.379 11.932 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.882 -5.441 11.423 1.00 0.00 C ATOM 0 H ILE A 29 -6.655 -4.347 8.628 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.328 -4.349 11.238 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.282 -5.475 12.125 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.863 -4.594 9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.385 -6.239 10.087 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.654 -3.408 12.467 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.906 -3.115 12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.759 -2.634 11.139 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.710 -5.817 10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.667 -6.146 12.226 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.153 -4.476 11.851 1.00 0.00 H new ATOM 416 N SER A 30 -5.594 -7.061 11.123 1.00 0.00 N ATOM 417 CA SER A 30 -5.087 -8.425 11.075 1.00 0.00 C ATOM 418 C SER A 30 -3.555 -8.414 11.011 1.00 0.00 C ATOM 419 O SER A 30 -2.925 -7.350 10.953 1.00 0.00 O ATOM 420 CB SER A 30 -5.763 -9.240 9.962 1.00 0.00 C ATOM 421 OG SER A 30 -5.768 -10.620 10.287 1.00 0.00 O ATOM 0 H SER A 30 -5.887 -6.814 12.068 1.00 0.00 H new ATOM 0 HA SER A 30 -5.352 -8.944 11.996 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.786 -8.891 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.238 -9.085 9.020 1.00 0.00 H new ATOM 0 HG SER A 30 -5.415 -11.135 9.532 1.00 0.00 H new ATOM 427 N SER A 31 -2.948 -9.599 11.101 1.00 0.00 N ATOM 428 CA SER A 31 -1.504 -9.786 11.082 1.00 0.00 C ATOM 429 C SER A 31 -1.191 -11.267 10.834 1.00 0.00 C ATOM 430 O SER A 31 -2.109 -12.090 10.706 1.00 0.00 O ATOM 431 CB SER A 31 -0.937 -9.301 12.426 1.00 0.00 C ATOM 432 OG SER A 31 0.267 -8.573 12.248 1.00 0.00 O ATOM 0 H SER A 31 -3.464 -10.474 11.191 1.00 0.00 H new ATOM 0 HA SER A 31 -1.042 -9.210 10.281 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.673 -8.673 12.927 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.754 -10.157 13.075 1.00 0.00 H new ATOM 0 HG SER A 31 0.602 -8.277 13.120 1.00 0.00 H new ATOM 438 N LEU A 32 0.094 -11.630 10.780 1.00 0.00 N ATOM 439 CA LEU A 32 0.512 -13.026 10.813 1.00 0.00 C ATOM 440 C LEU A 32 0.293 -13.523 12.235 1.00 0.00 C ATOM 441 O LEU A 32 1.003 -13.133 13.158 1.00 0.00 O ATOM 442 CB LEU A 32 1.964 -13.235 10.368 1.00 0.00 C ATOM 443 CG LEU A 32 2.187 -12.772 8.917 1.00 0.00 C ATOM 444 CD1 LEU A 32 3.051 -11.518 8.904 1.00 0.00 C ATOM 445 CD2 LEU A 32 2.849 -13.852 8.066 1.00 0.00 C ATOM 0 H LEU A 32 0.865 -10.966 10.713 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.082 -13.595 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.631 -12.685 11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.224 -14.290 10.457 1.00 0.00 H new ATOM 0 HG LEU A 32 1.208 -12.560 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.206 -11.194 7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.552 -10.726 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.014 -11.735 9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.987 -13.481 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.818 -14.109 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.215 -14.739 8.046 1.00 0.00 H new ATOM 457 N ASN A 33 -0.729 -14.343 12.419 1.00 0.00 N ATOM 458 CA ASN A 33 -1.144 -14.971 13.662 1.00 0.00 C ATOM 459 C ASN A 33 -1.926 -16.207 13.235 1.00 0.00 C ATOM 460 O ASN A 33 -2.879 -16.072 12.461 1.00 0.00 O ATOM 461 CB ASN A 33 -2.040 -14.030 14.481 1.00 0.00 C ATOM 462 CG ASN A 33 -2.671 -14.774 15.654 1.00 0.00 C ATOM 463 OD1 ASN A 33 -1.988 -15.479 16.393 1.00 0.00 O ATOM 464 ND2 ASN A 33 -3.973 -14.653 15.838 1.00 0.00 N ATOM 0 H ASN A 33 -1.336 -14.607 11.643 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.291 -15.217 14.295 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.452 -13.190 14.850 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.821 -13.617 13.843 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.428 -15.149 16.604 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.524 -14.063 15.214 1.00 0.00 H new ATOM 471 N ARG A 34 -1.475 -17.398 13.628 1.00 0.00 N ATOM 472 CA ARG A 34 -2.113 -18.678 13.333 1.00 0.00 C ATOM 473 C ARG A 34 -1.551 -19.733 14.297 1.00 0.00 C ATOM 474 O ARG A 34 -0.426 -19.546 14.769 1.00 0.00 O ATOM 475 CB ARG A 34 -1.912 -19.090 11.853 1.00 0.00 C ATOM 476 CG ARG A 34 -0.482 -19.376 11.360 1.00 0.00 C ATOM 477 CD ARG A 34 0.435 -18.142 11.359 1.00 0.00 C ATOM 478 NE ARG A 34 1.555 -18.260 10.411 1.00 0.00 N ATOM 479 CZ ARG A 34 2.654 -19.012 10.549 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.780 -19.858 11.565 1.00 0.00 N ATOM 481 NH2 ARG A 34 3.623 -18.903 9.648 1.00 0.00 N ATOM 0 H ARG A 34 -0.624 -17.500 14.181 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.190 -18.590 13.478 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.510 -19.983 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.326 -18.298 11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.038 -20.146 11.991 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.531 -19.781 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.153 -17.259 11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.830 -17.989 12.363 1.00 0.00 H new ATOM 0 HE ARG A 34 1.486 -17.709 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.033 -19.942 12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.624 -20.424 11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.523 -18.254 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.468 -19.468 9.737 1.00 0.00 H new ATOM 495 N PRO A 35 -2.286 -20.822 14.575 1.00 0.00 N ATOM 496 CA PRO A 35 -1.807 -21.933 15.396 1.00 0.00 C ATOM 497 C PRO A 35 -0.677 -22.717 14.716 1.00 0.00 C ATOM 498 O PRO A 35 -0.277 -22.410 13.588 1.00 0.00 O ATOM 499 CB PRO A 35 -3.047 -22.800 15.656 1.00 0.00 C ATOM 500 CG PRO A 35 -3.990 -22.480 14.501 1.00 0.00 C ATOM 501 CD PRO A 35 -3.681 -21.020 14.207 1.00 0.00 C ATOM 0 HA PRO A 35 -1.363 -21.581 16.327 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.792 -23.860 15.678 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.503 -22.562 16.617 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.800 -23.116 13.636 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.034 -22.624 14.779 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.843 -20.792 13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.333 -20.360 14.780 1.00 0.00 H new ATOM 509 N GLU A 36 -0.180 -23.751 15.400 1.00 0.00 N ATOM 510 CA GLU A 36 0.783 -24.692 14.841 1.00 0.00 C ATOM 511 C GLU A 36 0.048 -25.613 13.861 1.00 0.00 C ATOM 512 O GLU A 36 0.210 -25.452 12.649 1.00 0.00 O ATOM 513 CB GLU A 36 1.542 -25.425 15.961 1.00 0.00 C ATOM 514 CG GLU A 36 2.609 -26.360 15.383 1.00 0.00 C ATOM 515 CD GLU A 36 3.377 -27.109 16.472 1.00 0.00 C ATOM 516 OE1 GLU A 36 2.849 -28.133 16.961 1.00 0.00 O ATOM 517 OE2 GLU A 36 4.542 -26.754 16.748 1.00 0.00 O ATOM 0 H GLU A 36 -0.439 -23.957 16.365 1.00 0.00 H new ATOM 0 HA GLU A 36 1.558 -24.175 14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.012 -24.697 16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.840 -25.999 16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.135 -27.080 14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.309 -25.780 14.781 1.00 0.00 H new ATOM 524 N SER A 37 -0.791 -26.535 14.347 1.00 0.00 N ATOM 525 CA SER A 37 -1.629 -27.388 13.504 1.00 0.00 C ATOM 526 C SER A 37 -2.862 -26.628 12.995 1.00 0.00 C ATOM 527 O SER A 37 -3.156 -25.520 13.451 1.00 0.00 O ATOM 528 CB SER A 37 -2.031 -28.654 14.282 1.00 0.00 C ATOM 529 OG SER A 37 -2.767 -28.367 15.467 1.00 0.00 O ATOM 0 H SER A 37 -0.907 -26.710 15.345 1.00 0.00 H new ATOM 0 HA SER A 37 -1.054 -27.687 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.629 -29.297 13.636 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.133 -29.213 14.545 1.00 0.00 H new ATOM 0 HG SER A 37 -2.997 -29.205 15.920 1.00 0.00 H new ATOM 535 N GLY A 38 -3.618 -27.224 12.070 1.00 0.00 N ATOM 536 CA GLY A 38 -4.945 -26.752 11.693 1.00 0.00 C ATOM 537 C GLY A 38 -4.923 -25.541 10.761 1.00 0.00 C ATOM 538 O GLY A 38 -5.884 -24.771 10.768 1.00 0.00 O ATOM 0 H GLY A 38 -3.320 -28.055 11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.486 -27.564 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.500 -26.495 12.595 1.00 0.00 H new ATOM 542 N SER A 39 -3.863 -25.344 9.969 1.00 0.00 N ATOM 543 CA SER A 39 -3.675 -24.141 9.164 1.00 0.00 C ATOM 544 C SER A 39 -4.763 -24.012 8.097 1.00 0.00 C ATOM 545 O SER A 39 -4.999 -24.916 7.291 1.00 0.00 O ATOM 546 CB SER A 39 -2.274 -24.139 8.531 1.00 0.00 C ATOM 547 OG SER A 39 -1.472 -23.197 9.221 1.00 0.00 O ATOM 0 H SER A 39 -3.108 -26.023 9.871 1.00 0.00 H new ATOM 0 HA SER A 39 -3.758 -23.274 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.829 -25.132 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.336 -23.882 7.474 1.00 0.00 H new ATOM 0 HG SER A 39 -0.573 -23.184 8.831 1.00 0.00 H new ATOM 553 N THR A 40 -5.442 -22.863 8.126 1.00 0.00 N ATOM 554 CA THR A 40 -6.369 -22.412 7.105 1.00 0.00 C ATOM 555 C THR A 40 -5.931 -21.031 6.601 1.00 0.00 C ATOM 556 O THR A 40 -5.131 -20.344 7.249 1.00 0.00 O ATOM 557 CB THR A 40 -7.814 -22.453 7.642 1.00 0.00 C ATOM 558 OG1 THR A 40 -7.937 -21.790 8.892 1.00 0.00 O ATOM 559 CG2 THR A 40 -8.289 -23.898 7.825 1.00 0.00 C ATOM 0 H THR A 40 -5.352 -22.200 8.896 1.00 0.00 H new ATOM 0 HA THR A 40 -6.354 -23.081 6.245 1.00 0.00 H new ATOM 0 HB THR A 40 -8.429 -21.941 6.901 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.867 -21.837 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.311 -23.900 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.257 -24.416 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.637 -24.408 8.535 1.00 0.00 H new ATOM 567 N ILE A 41 -6.447 -20.622 5.439 1.00 0.00 N ATOM 568 CA ILE A 41 -6.176 -19.329 4.831 1.00 0.00 C ATOM 569 C ILE A 41 -6.902 -18.231 5.620 1.00 0.00 C ATOM 570 O ILE A 41 -8.004 -17.780 5.295 1.00 0.00 O ATOM 571 CB ILE A 41 -6.500 -19.320 3.318 1.00 0.00 C ATOM 572 CG1 ILE A 41 -5.940 -20.540 2.548 1.00 0.00 C ATOM 573 CG2 ILE A 41 -5.964 -18.023 2.695 1.00 0.00 C ATOM 574 CD1 ILE A 41 -4.420 -20.733 2.639 1.00 0.00 C ATOM 0 H ILE A 41 -7.080 -21.200 4.886 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.107 -19.123 4.887 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.585 -19.380 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.427 -21.440 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.215 -20.443 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.190 -18.011 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.437 -17.166 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.885 -17.969 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.130 -21.614 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.917 -19.855 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.132 -20.867 3.682 1.00 0.00 H new ATOM 586 N THR A 42 -6.252 -17.781 6.683 1.00 0.00 N ATOM 587 CA THR A 42 -6.463 -16.485 7.295 1.00 0.00 C ATOM 588 C THR A 42 -5.906 -15.387 6.364 1.00 0.00 C ATOM 589 O THR A 42 -5.247 -15.685 5.360 1.00 0.00 O ATOM 590 CB THR A 42 -5.857 -16.571 8.705 1.00 0.00 C ATOM 591 OG1 THR A 42 -6.186 -15.460 9.515 1.00 0.00 O ATOM 592 CG2 THR A 42 -4.347 -16.805 8.738 1.00 0.00 C ATOM 0 H THR A 42 -5.537 -18.332 7.158 1.00 0.00 H new ATOM 0 HA THR A 42 -7.509 -16.207 7.421 1.00 0.00 H new ATOM 0 HB THR A 42 -6.324 -17.463 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.777 -15.567 10.399 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.009 -16.852 9.773 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.113 -17.745 8.237 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.841 -15.986 8.227 1.00 0.00 H new ATOM 600 N VAL A 43 -6.185 -14.120 6.666 1.00 0.00 N ATOM 601 CA VAL A 43 -5.783 -12.945 5.900 1.00 0.00 C ATOM 602 C VAL A 43 -4.955 -12.063 6.840 1.00 0.00 C ATOM 603 O VAL A 43 -5.512 -11.587 7.832 1.00 0.00 O ATOM 604 CB VAL A 43 -7.036 -12.243 5.332 1.00 0.00 C ATOM 605 CG1 VAL A 43 -6.789 -10.796 4.891 1.00 0.00 C ATOM 606 CG2 VAL A 43 -7.553 -12.999 4.109 1.00 0.00 C ATOM 0 H VAL A 43 -6.726 -13.874 7.495 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.170 -13.197 5.035 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.756 -12.237 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.715 -10.371 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.449 -10.209 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.028 -10.778 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.437 -12.495 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.779 -13.023 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.813 -14.018 4.394 1.00 0.00 H new ATOM 616 N PRO A 44 -3.643 -11.877 6.600 1.00 0.00 N ATOM 617 CA PRO A 44 -2.803 -11.049 7.455 1.00 0.00 C ATOM 618 C PRO A 44 -3.022 -9.546 7.271 1.00 0.00 C ATOM 619 O PRO A 44 -2.656 -8.805 8.176 1.00 0.00 O ATOM 620 CB PRO A 44 -1.355 -11.425 7.121 1.00 0.00 C ATOM 621 CG PRO A 44 -1.444 -11.891 5.670 1.00 0.00 C ATOM 622 CD PRO A 44 -2.821 -12.560 5.611 1.00 0.00 C ATOM 0 HA PRO A 44 -3.057 -11.239 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.682 -10.574 7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.982 -12.213 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.370 -11.057 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.645 -12.588 5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.255 -12.472 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.747 -13.625 5.833 1.00 0.00 H new ATOM 630 N HIS A 45 -3.586 -9.063 6.160 1.00 0.00 N ATOM 631 CA HIS A 45 -3.861 -7.641 5.960 1.00 0.00 C ATOM 632 C HIS A 45 -5.226 -7.490 5.299 1.00 0.00 C ATOM 633 O HIS A 45 -5.458 -7.963 4.182 1.00 0.00 O ATOM 634 CB HIS A 45 -2.784 -6.987 5.083 1.00 0.00 C ATOM 635 CG HIS A 45 -1.529 -6.504 5.778 1.00 0.00 C ATOM 636 ND1 HIS A 45 -0.877 -7.085 6.842 1.00 0.00 N ATOM 637 CD2 HIS A 45 -0.811 -5.393 5.426 1.00 0.00 C ATOM 638 CE1 HIS A 45 0.211 -6.349 7.117 1.00 0.00 C ATOM 639 NE2 HIS A 45 0.270 -5.273 6.313 1.00 0.00 N ATOM 0 H HIS A 45 -3.864 -9.650 5.374 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.854 -7.142 6.929 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.491 -7.704 4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.235 -6.137 4.570 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.170 -7.928 7.336 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.037 -4.725 4.608 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.938 -6.588 7.879 1.00 0.00 H new ATOM 647 N LYS A 46 -6.137 -6.783 5.960 1.00 0.00 N ATOM 648 CA LYS A 46 -7.393 -6.350 5.355 1.00 0.00 C ATOM 649 C LYS A 46 -7.713 -4.945 5.826 1.00 0.00 C ATOM 650 O LYS A 46 -7.196 -4.506 6.848 1.00 0.00 O ATOM 651 CB LYS A 46 -8.532 -7.321 5.698 1.00 0.00 C ATOM 652 CG LYS A 46 -8.821 -7.427 7.205 1.00 0.00 C ATOM 653 CD LYS A 46 -10.275 -7.825 7.417 1.00 0.00 C ATOM 654 CE LYS A 46 -10.615 -7.864 8.902 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.073 -7.900 9.131 1.00 0.00 N ATOM 0 H LYS A 46 -6.026 -6.493 6.932 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.287 -6.347 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.438 -7.000 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.282 -8.310 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.161 -8.164 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.619 -6.473 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.928 -7.116 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.458 -8.803 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.154 -8.741 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.191 -6.989 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.263 -7.926 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.510 -7.051 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.474 -8.748 8.683 1.00 0.00 H new ATOM 669 N ILE A 47 -8.612 -4.263 5.127 1.00 0.00 N ATOM 670 CA ILE A 47 -9.128 -2.974 5.557 1.00 0.00 C ATOM 671 C ILE A 47 -9.913 -3.192 6.847 1.00 0.00 C ATOM 672 O ILE A 47 -10.788 -4.062 6.883 1.00 0.00 O ATOM 673 CB ILE A 47 -10.035 -2.371 4.471 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.436 -2.428 3.060 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.498 -0.945 4.826 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.266 -1.473 2.816 1.00 0.00 C ATOM 0 H ILE A 47 -9.003 -4.591 4.244 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.308 -2.276 5.728 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.915 -3.014 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.101 -3.447 2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.222 -2.207 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.136 -0.561 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.058 -0.966 5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.628 -0.298 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.911 -1.587 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.596 -0.446 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.457 -1.705 3.508 1.00 0.00 H new ATOM 688 N GLY A 48 -9.637 -2.381 7.861 1.00 0.00 N ATOM 689 CA GLY A 48 -10.423 -2.284 9.076 1.00 0.00 C ATOM 690 C GLY A 48 -11.201 -0.977 9.126 1.00 0.00 C ATOM 691 O GLY A 48 -12.409 -1.014 9.339 1.00 0.00 O ATOM 0 H GLY A 48 -8.833 -1.754 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.115 -3.124 9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.766 -2.353 9.943 1.00 0.00 H new ATOM 695 N ARG A 49 -10.551 0.176 8.931 1.00 0.00 N ATOM 696 CA ARG A 49 -11.163 1.479 9.200 1.00 0.00 C ATOM 697 C ARG A 49 -10.897 2.456 8.064 1.00 0.00 C ATOM 698 O ARG A 49 -9.857 2.357 7.396 1.00 0.00 O ATOM 699 CB ARG A 49 -10.583 2.028 10.513 1.00 0.00 C ATOM 700 CG ARG A 49 -11.466 3.137 11.105 1.00 0.00 C ATOM 701 CD ARG A 49 -10.823 3.751 12.350 1.00 0.00 C ATOM 702 NE ARG A 49 -11.653 4.846 12.865 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.848 4.726 13.454 1.00 0.00 C ATOM 704 NH1 ARG A 49 -13.330 3.526 13.785 1.00 0.00 N ATOM 705 NH2 ARG A 49 -13.560 5.821 13.686 1.00 0.00 N ATOM 0 H ARG A 49 -9.593 0.231 8.585 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.243 1.357 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.485 1.217 11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.581 2.418 10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.630 3.913 10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.444 2.729 11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.699 2.987 13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.828 4.123 12.107 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.283 5.791 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.786 2.686 13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.243 3.449 14.234 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.194 6.734 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.474 5.750 14.134 1.00 0.00 H new ATOM 719 N ILE A 50 -11.819 3.402 7.891 1.00 0.00 N ATOM 720 CA ILE A 50 -11.815 4.456 6.897 1.00 0.00 C ATOM 721 C ILE A 50 -12.267 5.736 7.628 1.00 0.00 C ATOM 722 O ILE A 50 -13.354 5.774 8.191 1.00 0.00 O ATOM 723 CB ILE A 50 -12.712 3.987 5.724 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.965 2.898 4.911 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.193 5.089 4.770 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.824 2.288 3.800 1.00 0.00 C ATOM 0 H ILE A 50 -12.644 3.449 8.488 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.846 4.678 6.450 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.617 3.602 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.067 3.332 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.639 2.107 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.812 4.649 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.777 5.822 5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.332 5.580 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.247 1.533 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.709 1.826 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.128 3.070 3.104 1.00 0.00 H new ATOM 738 N ILE A 51 -11.406 6.761 7.656 1.00 0.00 N ATOM 739 CA ILE A 51 -11.712 8.187 7.831 1.00 0.00 C ATOM 740 C ILE A 51 -12.881 8.551 6.900 1.00 0.00 C ATOM 741 O ILE A 51 -12.808 8.359 5.681 1.00 0.00 O ATOM 742 CB ILE A 51 -10.444 9.037 7.452 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.330 9.002 8.512 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.714 10.517 7.169 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.691 7.638 8.670 1.00 0.00 C ATOM 0 H ILE A 51 -10.404 6.604 7.549 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.985 8.395 8.866 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.126 8.540 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.561 9.726 8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.742 9.315 9.471 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.778 11.016 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.409 10.607 6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.147 10.983 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.914 7.686 9.433 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.449 6.914 8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.249 7.331 7.722 1.00 0.00 H new ATOM 757 N ASP A 52 -13.927 9.150 7.486 1.00 0.00 N ATOM 758 CA ASP A 52 -14.975 9.836 6.746 1.00 0.00 C ATOM 759 C ASP A 52 -14.350 11.019 6.015 1.00 0.00 C ATOM 760 O ASP A 52 -13.645 11.818 6.634 1.00 0.00 O ATOM 761 CB ASP A 52 -16.079 10.347 7.673 1.00 0.00 C ATOM 762 CG ASP A 52 -17.095 9.279 8.019 1.00 0.00 C ATOM 763 OD1 ASP A 52 -18.092 9.108 7.272 1.00 0.00 O ATOM 764 OD2 ASP A 52 -16.947 8.658 9.102 1.00 0.00 O ATOM 0 H ASP A 52 -14.063 9.168 8.497 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.425 9.132 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.630 10.726 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.588 11.185 7.197 1.00 0.00 H new ATOM 769 N GLY A 53 -14.583 11.139 4.709 1.00 0.00 N ATOM 770 CA GLY A 53 -14.153 12.294 3.924 1.00 0.00 C ATOM 771 C GLY A 53 -12.946 11.960 3.052 1.00 0.00 C ATOM 772 O GLY A 53 -12.355 12.841 2.427 1.00 0.00 O ATOM 0 H GLY A 53 -15.078 10.434 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.975 12.634 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.903 13.117 4.593 1.00 0.00 H new ATOM 776 N SER A 54 -12.523 10.700 3.034 1.00 0.00 N ATOM 777 CA SER A 54 -11.294 10.276 2.394 1.00 0.00 C ATOM 778 C SER A 54 -11.420 10.090 0.874 1.00 0.00 C ATOM 779 O SER A 54 -12.507 9.793 0.371 1.00 0.00 O ATOM 780 CB SER A 54 -10.875 8.953 3.021 1.00 0.00 C ATOM 781 OG SER A 54 -11.967 8.060 3.141 1.00 0.00 O ATOM 0 H SER A 54 -13.037 9.936 3.473 1.00 0.00 H new ATOM 0 HA SER A 54 -10.555 11.063 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.095 8.494 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.446 9.137 4.006 1.00 0.00 H new ATOM 0 HG SER A 54 -12.179 7.928 4.089 1.00 0.00 H new ATOM 787 N PRO A 55 -10.279 10.112 0.156 1.00 0.00 N ATOM 788 CA PRO A 55 -10.217 9.715 -1.243 1.00 0.00 C ATOM 789 C PRO A 55 -10.613 8.243 -1.453 1.00 0.00 C ATOM 790 O PRO A 55 -11.214 7.913 -2.480 1.00 0.00 O ATOM 791 CB PRO A 55 -8.775 9.981 -1.707 1.00 0.00 C ATOM 792 CG PRO A 55 -7.986 10.495 -0.498 1.00 0.00 C ATOM 793 CD PRO A 55 -8.976 10.519 0.665 1.00 0.00 C ATOM 0 HA PRO A 55 -10.933 10.289 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.324 9.069 -2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.761 10.715 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.140 9.844 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.582 11.489 -0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.649 9.846 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.031 11.518 1.098 1.00 0.00 H new ATOM 801 N ALA A 56 -10.279 7.351 -0.510 1.00 0.00 N ATOM 802 CA ALA A 56 -10.572 5.927 -0.634 1.00 0.00 C ATOM 803 C ALA A 56 -12.072 5.650 -0.551 1.00 0.00 C ATOM 804 O ALA A 56 -12.567 4.888 -1.379 1.00 0.00 O ATOM 805 CB ALA A 56 -9.854 5.125 0.448 1.00 0.00 C ATOM 0 H ALA A 56 -9.800 7.601 0.355 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.213 5.616 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.089 4.067 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.778 5.270 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.182 5.465 1.430 1.00 0.00 H new ATOM 811 N ASP A 57 -12.790 6.241 0.422 1.00 0.00 N ATOM 812 CA ASP A 57 -14.198 5.887 0.637 1.00 0.00 C ATOM 813 C ASP A 57 -15.013 6.228 -0.608 1.00 0.00 C ATOM 814 O ASP A 57 -15.733 5.384 -1.140 1.00 0.00 O ATOM 815 CB ASP A 57 -14.739 6.651 1.843 1.00 0.00 C ATOM 816 CG ASP A 57 -16.061 6.108 2.385 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.978 5.762 1.611 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.217 6.159 3.630 1.00 0.00 O ATOM 0 H ASP A 57 -12.425 6.950 1.057 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.277 4.817 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.995 6.626 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.874 7.697 1.566 1.00 0.00 H new ATOM 823 N ARG A 58 -14.816 7.446 -1.134 1.00 0.00 N ATOM 824 CA ARG A 58 -15.498 7.882 -2.347 1.00 0.00 C ATOM 825 C ARG A 58 -15.170 6.981 -3.532 1.00 0.00 C ATOM 826 O ARG A 58 -15.991 6.857 -4.443 1.00 0.00 O ATOM 827 CB ARG A 58 -15.138 9.326 -2.698 1.00 0.00 C ATOM 828 CG ARG A 58 -15.685 10.357 -1.700 1.00 0.00 C ATOM 829 CD ARG A 58 -15.656 11.711 -2.409 1.00 0.00 C ATOM 830 NE ARG A 58 -16.207 12.815 -1.614 1.00 0.00 N ATOM 831 CZ ARG A 58 -16.614 13.979 -2.135 1.00 0.00 C ATOM 832 NH1 ARG A 58 -16.596 14.166 -3.451 1.00 0.00 N ATOM 833 NH2 ARG A 58 -17.029 14.967 -1.360 1.00 0.00 N ATOM 0 H ARG A 58 -14.188 8.142 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.567 7.819 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.053 9.420 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.522 9.556 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.700 10.101 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.077 10.380 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.626 11.948 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.216 11.633 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.284 12.688 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.271 13.421 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.907 15.054 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.043 14.849 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.335 15.847 -1.775 1.00 0.00 H new ATOM 847 N CYS A 59 -13.997 6.340 -3.541 1.00 0.00 N ATOM 848 CA CYS A 59 -13.637 5.410 -4.593 1.00 0.00 C ATOM 849 C CYS A 59 -14.640 4.248 -4.632 1.00 0.00 C ATOM 850 O CYS A 59 -15.007 3.826 -5.732 1.00 0.00 O ATOM 851 CB CYS A 59 -12.169 4.976 -4.455 1.00 0.00 C ATOM 852 SG CYS A 59 -11.602 4.336 -6.054 1.00 0.00 S ATOM 0 H CYS A 59 -13.283 6.456 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.703 5.899 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.553 5.820 -4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.072 4.211 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.325 4.545 -6.177 1.00 0.00 H new ATOM 858 N ALA A 60 -15.120 3.776 -3.471 1.00 0.00 N ATOM 859 CA ALA A 60 -16.111 2.722 -3.204 1.00 0.00 C ATOM 860 C ALA A 60 -15.811 1.344 -3.809 1.00 0.00 C ATOM 861 O ALA A 60 -16.369 0.335 -3.377 1.00 0.00 O ATOM 862 CB ALA A 60 -17.516 3.205 -3.573 1.00 0.00 C ATOM 0 H ALA A 60 -14.782 4.171 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.047 2.546 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.238 2.414 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.766 4.085 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.546 3.460 -4.632 1.00 0.00 H new ATOM 868 N LYS A 61 -14.871 1.256 -4.748 1.00 0.00 N ATOM 869 CA LYS A 61 -14.206 0.032 -5.153 1.00 0.00 C ATOM 870 C LYS A 61 -13.464 -0.614 -3.985 1.00 0.00 C ATOM 871 O LYS A 61 -13.171 -1.801 -4.076 1.00 0.00 O ATOM 872 CB LYS A 61 -13.238 0.383 -6.288 1.00 0.00 C ATOM 873 CG LYS A 61 -13.911 0.403 -7.669 1.00 0.00 C ATOM 874 CD LYS A 61 -13.328 -0.652 -8.610 1.00 0.00 C ATOM 875 CE LYS A 61 -13.368 -2.091 -8.073 1.00 0.00 C ATOM 876 NZ LYS A 61 -14.744 -2.593 -7.882 1.00 0.00 N ATOM 0 H LYS A 61 -14.543 2.072 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.944 -0.695 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.796 1.360 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.422 -0.340 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.981 0.232 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.793 1.391 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.872 -0.617 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.293 -0.390 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.840 -2.747 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.835 -2.134 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.711 -3.567 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.244 -1.986 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.248 -2.580 -8.792 1.00 0.00 H new ATOM 890 N LEU A 62 -13.173 0.142 -2.921 1.00 0.00 N ATOM 891 CA LEU A 62 -12.543 -0.324 -1.697 1.00 0.00 C ATOM 892 C LEU A 62 -13.505 -0.055 -0.551 1.00 0.00 C ATOM 893 O LEU A 62 -13.982 1.076 -0.419 1.00 0.00 O ATOM 894 CB LEU A 62 -11.238 0.458 -1.425 1.00 0.00 C ATOM 895 CG LEU A 62 -10.003 -0.435 -1.247 1.00 0.00 C ATOM 896 CD1 LEU A 62 -8.796 0.430 -0.873 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.202 -1.451 -0.130 1.00 0.00 C ATOM 0 H LEU A 62 -13.383 1.140 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.309 -1.384 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.060 1.147 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.369 1.063 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.842 -0.959 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.919 -0.205 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.608 1.155 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.000 0.956 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.307 -2.065 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.386 -0.928 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.055 -2.087 -0.365 1.00 0.00 H new ATOM 909 N LYS A 63 -13.746 -1.040 0.312 1.00 0.00 N ATOM 910 CA LYS A 63 -14.520 -0.885 1.535 1.00 0.00 C ATOM 911 C LYS A 63 -13.860 -1.658 2.673 1.00 0.00 C ATOM 912 O LYS A 63 -12.902 -2.410 2.471 1.00 0.00 O ATOM 913 CB LYS A 63 -15.960 -1.327 1.265 1.00 0.00 C ATOM 914 CG LYS A 63 -16.041 -2.789 0.820 1.00 0.00 C ATOM 915 CD LYS A 63 -16.918 -3.028 -0.411 1.00 0.00 C ATOM 916 CE LYS A 63 -16.242 -2.415 -1.648 1.00 0.00 C ATOM 917 NZ LYS A 63 -17.055 -2.598 -2.865 1.00 0.00 N ATOM 0 H LYS A 63 -13.399 -1.989 0.174 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.547 0.159 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.556 -1.190 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.396 -0.690 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.034 -3.148 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.425 -3.387 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.072 -4.097 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.901 -2.582 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.074 -1.351 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.264 -2.874 -1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.099 -1.702 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.623 -3.330 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.017 -2.891 -2.599 1.00 0.00 H new ATOM 931 N VAL A 64 -14.347 -1.473 3.895 1.00 0.00 N ATOM 932 CA VAL A 64 -13.896 -2.232 5.053 1.00 0.00 C ATOM 933 C VAL A 64 -14.067 -3.736 4.768 1.00 0.00 C ATOM 934 O VAL A 64 -15.061 -4.162 4.172 1.00 0.00 O ATOM 935 CB VAL A 64 -14.659 -1.707 6.284 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.583 -2.639 7.496 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.168 -0.300 6.678 1.00 0.00 C ATOM 0 H VAL A 64 -15.071 -0.787 4.110 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.835 -2.099 5.263 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.706 -1.662 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.143 -2.205 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.011 -3.608 7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.542 -2.769 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.722 0.048 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.105 -0.339 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.329 0.387 5.847 1.00 0.00 H new ATOM 947 N GLY A 65 -13.102 -4.549 5.214 1.00 0.00 N ATOM 948 CA GLY A 65 -13.153 -6.009 5.187 1.00 0.00 C ATOM 949 C GLY A 65 -12.448 -6.677 4.000 1.00 0.00 C ATOM 950 O GLY A 65 -12.221 -7.886 4.050 1.00 0.00 O ATOM 0 H GLY A 65 -12.236 -4.192 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.710 -6.387 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.198 -6.318 5.186 1.00 0.00 H new ATOM 954 N ASP A 66 -12.081 -5.913 2.966 1.00 0.00 N ATOM 955 CA ASP A 66 -11.951 -6.357 1.565 1.00 0.00 C ATOM 956 C ASP A 66 -10.820 -7.347 1.214 1.00 0.00 C ATOM 957 O ASP A 66 -10.617 -7.623 0.034 1.00 0.00 O ATOM 958 CB ASP A 66 -11.846 -5.102 0.656 1.00 0.00 C ATOM 959 CG ASP A 66 -13.124 -4.721 -0.088 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.131 -5.466 -0.007 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.103 -3.654 -0.734 1.00 0.00 O ATOM 0 H ASP A 66 -11.856 -4.925 3.082 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.851 -6.948 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.537 -4.255 1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.056 -5.270 -0.076 1.00 0.00 H new ATOM 966 N ARG A 67 -10.073 -7.902 2.176 1.00 0.00 N ATOM 967 CA ARG A 67 -8.943 -8.832 1.982 1.00 0.00 C ATOM 968 C ARG A 67 -7.889 -8.305 0.988 1.00 0.00 C ATOM 969 O ARG A 67 -7.976 -8.520 -0.221 1.00 0.00 O ATOM 970 CB ARG A 67 -9.470 -10.238 1.617 1.00 0.00 C ATOM 971 CG ARG A 67 -10.460 -10.787 2.663 1.00 0.00 C ATOM 972 CD ARG A 67 -10.699 -12.299 2.525 1.00 0.00 C ATOM 973 NE ARG A 67 -11.843 -12.648 1.667 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.174 -13.907 1.339 1.00 0.00 C ATOM 975 NH1 ARG A 67 -11.505 -14.950 1.818 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.168 -14.135 0.497 1.00 0.00 N ATOM 0 H ARG A 67 -10.245 -7.708 3.162 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.409 -8.910 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.960 -10.198 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.629 -10.925 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.080 -10.574 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.411 -10.264 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.800 -12.763 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.859 -12.723 3.516 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.418 -11.889 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.719 -14.804 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.778 -15.896 1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.685 -13.353 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.417 -15.093 0.250 1.00 0.00 H new ATOM 990 N ILE A 68 -6.889 -7.565 1.482 1.00 0.00 N ATOM 991 CA ILE A 68 -5.827 -7.016 0.636 1.00 0.00 C ATOM 992 C ILE A 68 -4.950 -8.197 0.220 1.00 0.00 C ATOM 993 O ILE A 68 -4.673 -9.082 1.035 1.00 0.00 O ATOM 994 CB ILE A 68 -5.006 -5.906 1.351 1.00 0.00 C ATOM 995 CG1 ILE A 68 -5.916 -4.777 1.885 1.00 0.00 C ATOM 996 CG2 ILE A 68 -3.966 -5.286 0.392 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.237 -3.777 2.822 1.00 0.00 C ATOM 0 H ILE A 68 -6.795 -7.332 2.471 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.256 -6.522 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.500 -6.383 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.327 -4.232 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.757 -5.229 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.404 -4.512 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.281 -6.061 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.477 -4.847 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.961 -3.027 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.851 -4.302 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.414 -3.289 2.299 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.512 -8.210 -1.036 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.633 -9.212 -1.616 1.00 0.00 C ATOM 1011 C LEU A 69 -2.300 -8.557 -1.956 1.00 0.00 C ATOM 1012 O LEU A 69 -1.252 -9.026 -1.509 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.388 -9.827 -2.805 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.631 -10.198 -4.083 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.517 -11.230 -3.877 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.642 -10.789 -5.076 1.00 0.00 C ATOM 0 H LEU A 69 -4.775 -7.487 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.382 -10.028 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.879 -10.731 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.175 -9.127 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.155 -9.286 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.032 -11.437 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.783 -10.837 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.943 -12.151 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.129 -11.063 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.104 -11.675 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.412 -10.049 -5.295 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.341 -7.459 -2.709 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.142 -6.745 -3.134 1.00 0.00 C ATOM 1030 C ALA A 70 -1.305 -5.228 -3.038 1.00 0.00 C ATOM 1031 O ALA A 70 -2.402 -4.687 -3.179 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.767 -7.171 -4.559 1.00 0.00 C ATOM 0 H ALA A 70 -3.210 -7.040 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.333 -7.011 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.129 -6.636 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.576 -8.244 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.588 -6.936 -5.237 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.169 -4.554 -2.878 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.002 -3.100 -2.965 1.00 0.00 C ATOM 1040 C VAL A 71 0.835 -2.872 -4.213 1.00 0.00 C ATOM 1041 O VAL A 71 1.959 -3.355 -4.277 1.00 0.00 O ATOM 1042 CB VAL A 71 0.676 -2.541 -1.691 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.103 -1.070 -1.833 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.255 -2.620 -0.472 1.00 0.00 C ATOM 0 H VAL A 71 0.709 -5.031 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.956 -2.576 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 71 1.558 -3.166 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.572 -0.736 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.813 -0.975 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.227 -0.455 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.256 -2.218 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.156 -2.038 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.526 -3.660 -0.288 1.00 0.00 H new ATOM 1054 N ASN A 72 0.282 -2.192 -5.218 1.00 0.00 N ATOM 1055 CA ASN A 72 0.923 -1.820 -6.484 1.00 0.00 C ATOM 1056 C ASN A 72 1.472 -2.987 -7.315 1.00 0.00 C ATOM 1057 O ASN A 72 2.066 -2.741 -8.364 1.00 0.00 O ATOM 1058 CB ASN A 72 1.978 -0.721 -6.247 1.00 0.00 C ATOM 1059 CG ASN A 72 1.342 0.644 -6.029 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.379 1.006 -6.697 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.823 1.417 -5.072 1.00 0.00 N ATOM 0 H ASN A 72 -0.683 -1.866 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 72 0.125 -1.422 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.584 -0.981 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.651 -0.674 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.393 2.323 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.624 1.108 -4.521 1.00 0.00 H new ATOM 1068 N GLY A 73 1.245 -4.234 -6.899 1.00 0.00 N ATOM 1069 CA GLY A 73 1.792 -5.424 -7.533 1.00 0.00 C ATOM 1070 C GLY A 73 2.923 -6.060 -6.726 1.00 0.00 C ATOM 1071 O GLY A 73 3.635 -6.904 -7.267 1.00 0.00 O ATOM 0 H GLY A 73 0.660 -4.444 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.995 -6.155 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.162 -5.164 -8.525 1.00 0.00 H new ATOM 1075 N GLN A 74 3.124 -5.655 -5.471 1.00 0.00 N ATOM 1076 CA GLN A 74 4.016 -6.261 -4.505 1.00 0.00 C ATOM 1077 C GLN A 74 3.175 -7.080 -3.516 1.00 0.00 C ATOM 1078 O GLN A 74 2.096 -6.642 -3.100 1.00 0.00 O ATOM 1079 CB GLN A 74 4.755 -5.109 -3.809 1.00 0.00 C ATOM 1080 CG GLN A 74 5.736 -5.593 -2.753 1.00 0.00 C ATOM 1081 CD GLN A 74 6.881 -6.394 -3.359 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.812 -7.614 -3.528 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.943 -5.709 -3.730 1.00 0.00 N ATOM 0 H GLN A 74 2.635 -4.846 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 74 4.741 -6.935 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.291 -4.523 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.027 -4.444 -3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.139 -4.736 -2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.209 -6.209 -2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.977 -4.701 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.731 -6.187 -4.167 1.00 0.00 H new ATOM 1092 N SER A 75 3.677 -8.253 -3.129 1.00 0.00 N ATOM 1093 CA SER A 75 3.000 -9.193 -2.248 1.00 0.00 C ATOM 1094 C SER A 75 3.100 -8.776 -0.780 1.00 0.00 C ATOM 1095 O SER A 75 4.093 -9.055 -0.105 1.00 0.00 O ATOM 1096 CB SER A 75 3.631 -10.578 -2.401 1.00 0.00 C ATOM 1097 OG SER A 75 3.379 -11.139 -3.670 1.00 0.00 O ATOM 0 H SER A 75 4.594 -8.581 -3.432 1.00 0.00 H new ATOM 0 HA SER A 75 1.948 -9.208 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.707 -10.505 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.241 -11.241 -1.628 1.00 0.00 H new ATOM 0 HG SER A 75 3.800 -12.022 -3.727 1.00 0.00 H new ATOM 1103 N ILE A 76 2.038 -8.179 -0.245 1.00 0.00 N ATOM 1104 CA ILE A 76 2.028 -7.757 1.154 1.00 0.00 C ATOM 1105 C ILE A 76 1.800 -8.913 2.145 1.00 0.00 C ATOM 1106 O ILE A 76 1.903 -8.712 3.352 1.00 0.00 O ATOM 1107 CB ILE A 76 1.074 -6.561 1.337 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.403 -6.723 0.936 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.536 -5.394 0.484 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.150 -7.488 1.990 1.00 0.00 C ATOM 0 H ILE A 76 1.178 -7.977 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 76 3.029 -7.410 1.411 1.00 0.00 H new ATOM 0 HB ILE A 76 1.115 -6.432 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.859 -5.743 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.472 -7.244 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.856 -4.553 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.542 -5.100 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.542 -5.690 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.193 -7.594 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.704 -8.476 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.096 -6.950 2.937 1.00 0.00 H new ATOM 1122 N ILE A 77 1.531 -10.132 1.664 1.00 0.00 N ATOM 1123 CA ILE A 77 1.269 -11.313 2.485 1.00 0.00 C ATOM 1124 C ILE A 77 2.537 -11.815 3.217 1.00 0.00 C ATOM 1125 O ILE A 77 2.426 -12.713 4.055 1.00 0.00 O ATOM 1126 CB ILE A 77 0.620 -12.442 1.628 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.295 -11.963 0.469 1.00 0.00 C ATOM 1128 CG2 ILE A 77 -0.243 -13.369 2.505 1.00 0.00 C ATOM 1129 CD1 ILE A 77 0.438 -11.773 -0.864 1.00 0.00 C ATOM 0 H ILE A 77 1.489 -10.327 0.664 1.00 0.00 H new ATOM 0 HA ILE A 77 0.561 -11.020 3.261 1.00 0.00 H new ATOM 0 HB ILE A 77 1.481 -12.948 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.098 -12.687 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.761 -11.020 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.685 -14.149 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.380 -13.826 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.035 -12.789 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.269 -11.438 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.223 -11.027 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.881 -12.719 -1.174 1.00 0.00 H new ATOM 1141 N ASN A 78 3.735 -11.295 2.897 1.00 0.00 N ATOM 1142 CA ASN A 78 4.998 -11.800 3.456 1.00 0.00 C ATOM 1143 C ASN A 78 6.001 -10.721 3.845 1.00 0.00 C ATOM 1144 O ASN A 78 6.825 -10.980 4.722 1.00 0.00 O ATOM 1145 CB ASN A 78 5.670 -12.797 2.501 1.00 0.00 C ATOM 1146 CG ASN A 78 4.947 -14.127 2.517 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.013 -14.857 3.504 1.00 0.00 O ATOM 1148 ND2 ASN A 78 4.195 -14.454 1.483 1.00 0.00 N ATOM 0 H ASN A 78 3.853 -10.518 2.247 1.00 0.00 H new ATOM 0 HA ASN A 78 4.705 -12.298 4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.674 -12.392 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.711 -12.940 2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.659 -15.322 1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.150 -13.839 0.671 1.00 0.00 H new ATOM 1155 N MET A 79 5.951 -9.525 3.257 1.00 0.00 N ATOM 1156 CA MET A 79 6.779 -8.416 3.716 1.00 0.00 C ATOM 1157 C MET A 79 6.451 -8.057 5.172 1.00 0.00 C ATOM 1158 O MET A 79 5.302 -8.225 5.603 1.00 0.00 O ATOM 1159 CB MET A 79 6.529 -7.203 2.816 1.00 0.00 C ATOM 1160 CG MET A 79 7.604 -7.068 1.747 1.00 0.00 C ATOM 1161 SD MET A 79 7.028 -6.382 0.181 1.00 0.00 S ATOM 1162 CE MET A 79 6.607 -4.694 0.677 1.00 0.00 C ATOM 0 H MET A 79 5.348 -9.303 2.465 1.00 0.00 H new ATOM 0 HA MET A 79 7.827 -8.711 3.665 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.552 -7.297 2.341 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.503 -6.298 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.404 -6.436 2.133 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.037 -8.051 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.884 -4.278 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.176 -4.706 1.678 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.507 -4.079 0.676 1.00 0.00 H new ATOM 1172 N PRO A 80 7.412 -7.507 5.936 1.00 0.00 N ATOM 1173 CA PRO A 80 7.126 -6.973 7.257 1.00 0.00 C ATOM 1174 C PRO A 80 6.232 -5.737 7.143 1.00 0.00 C ATOM 1175 O PRO A 80 6.197 -5.064 6.109 1.00 0.00 O ATOM 1176 CB PRO A 80 8.485 -6.678 7.895 1.00 0.00 C ATOM 1177 CG PRO A 80 9.399 -6.425 6.699 1.00 0.00 C ATOM 1178 CD PRO A 80 8.820 -7.330 5.607 1.00 0.00 C ATOM 0 HA PRO A 80 6.573 -7.673 7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.438 -5.811 8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.836 -7.517 8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.387 -5.377 6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.434 -6.680 6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.937 -6.877 4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.338 -8.289 5.580 1.00 0.00 H new ATOM 1186 N HIS A 81 5.516 -5.410 8.215 1.00 0.00 N ATOM 1187 CA HIS A 81 4.509 -4.361 8.164 1.00 0.00 C ATOM 1188 C HIS A 81 5.142 -3.001 7.848 1.00 0.00 C ATOM 1189 O HIS A 81 4.568 -2.240 7.075 1.00 0.00 O ATOM 1190 CB HIS A 81 3.712 -4.354 9.467 1.00 0.00 C ATOM 1191 CG HIS A 81 2.604 -3.331 9.505 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.465 -3.307 8.725 1.00 0.00 N ATOM 1193 CD2 HIS A 81 2.537 -2.283 10.381 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.716 -2.273 9.150 1.00 0.00 C ATOM 1195 NE2 HIS A 81 1.318 -1.627 10.170 1.00 0.00 N ATOM 0 H HIS A 81 5.616 -5.857 9.127 1.00 0.00 H new ATOM 0 HA HIS A 81 3.813 -4.565 7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.284 -5.344 9.624 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.394 -4.167 10.297 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.235 -3.952 7.969 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.290 -2.010 11.106 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.240 -1.997 8.730 1.00 0.00 H new ATOM 1203 N ALA A 82 6.334 -2.695 8.372 1.00 0.00 N ATOM 1204 CA ALA A 82 7.021 -1.439 8.085 1.00 0.00 C ATOM 1205 C ALA A 82 7.386 -1.312 6.608 1.00 0.00 C ATOM 1206 O ALA A 82 7.389 -0.190 6.104 1.00 0.00 O ATOM 1207 CB ALA A 82 8.292 -1.300 8.921 1.00 0.00 C ATOM 0 H ALA A 82 6.845 -3.311 9.004 1.00 0.00 H new ATOM 0 HA ALA A 82 6.324 -0.642 8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.781 -0.355 8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.035 -1.321 9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.968 -2.125 8.695 1.00 0.00 H new ATOM 1213 N ASP A 83 7.687 -2.420 5.923 1.00 0.00 N ATOM 1214 CA ASP A 83 7.981 -2.426 4.490 1.00 0.00 C ATOM 1215 C ASP A 83 6.748 -1.930 3.753 1.00 0.00 C ATOM 1216 O ASP A 83 6.823 -1.002 2.958 1.00 0.00 O ATOM 1217 CB ASP A 83 8.341 -3.838 3.983 1.00 0.00 C ATOM 1218 CG ASP A 83 9.802 -3.990 3.603 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.660 -3.863 4.504 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.097 -4.267 2.423 1.00 0.00 O ATOM 0 H ASP A 83 7.733 -3.344 6.353 1.00 0.00 H new ATOM 0 HA ASP A 83 8.840 -1.781 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.097 -4.566 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.722 -4.073 3.117 1.00 0.00 H new ATOM 1225 N ILE A 84 5.610 -2.550 4.052 1.00 0.00 N ATOM 1226 CA ILE A 84 4.322 -2.319 3.420 1.00 0.00 C ATOM 1227 C ILE A 84 3.834 -0.896 3.739 1.00 0.00 C ATOM 1228 O ILE A 84 3.323 -0.202 2.862 1.00 0.00 O ATOM 1229 CB ILE A 84 3.354 -3.417 3.926 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.856 -4.821 3.498 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.921 -3.177 3.420 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.295 -5.945 4.369 1.00 0.00 C ATOM 0 H ILE A 84 5.563 -3.263 4.780 1.00 0.00 H new ATOM 0 HA ILE A 84 4.385 -2.383 2.334 1.00 0.00 H new ATOM 0 HB ILE A 84 3.334 -3.370 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.578 -5.000 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.945 -4.842 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.267 -3.965 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.566 -2.211 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.914 -3.185 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.682 -6.903 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.595 -5.787 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.207 -5.948 4.303 1.00 0.00 H new ATOM 1244 N VAL A 85 3.997 -0.431 4.977 1.00 0.00 N ATOM 1245 CA VAL A 85 3.699 0.938 5.365 1.00 0.00 C ATOM 1246 C VAL A 85 4.556 1.911 4.557 1.00 0.00 C ATOM 1247 O VAL A 85 4.020 2.891 4.025 1.00 0.00 O ATOM 1248 CB VAL A 85 3.854 1.070 6.887 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.996 2.514 7.377 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.662 0.414 7.601 1.00 0.00 C ATOM 0 H VAL A 85 4.344 -1.005 5.745 1.00 0.00 H new ATOM 0 HA VAL A 85 2.667 1.199 5.132 1.00 0.00 H new ATOM 0 HB VAL A 85 4.785 0.559 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.101 2.521 8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.878 2.967 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.110 3.083 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.784 0.514 8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.739 0.904 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.617 -0.643 7.338 1.00 0.00 H new ATOM 1260 N LYS A 86 5.863 1.634 4.426 1.00 0.00 N ATOM 1261 CA LYS A 86 6.730 2.481 3.623 1.00 0.00 C ATOM 1262 C LYS A 86 6.226 2.506 2.196 1.00 0.00 C ATOM 1263 O LYS A 86 6.056 3.585 1.654 1.00 0.00 O ATOM 1264 CB LYS A 86 8.192 2.028 3.658 1.00 0.00 C ATOM 1265 CG LYS A 86 9.120 3.232 3.468 1.00 0.00 C ATOM 1266 CD LYS A 86 10.552 2.908 3.032 1.00 0.00 C ATOM 1267 CE LYS A 86 11.249 1.809 3.842 1.00 0.00 C ATOM 1268 NZ LYS A 86 10.897 0.456 3.364 1.00 0.00 N ATOM 0 H LYS A 86 6.329 0.839 4.863 1.00 0.00 H new ATOM 0 HA LYS A 86 6.700 3.483 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.407 1.540 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.372 1.293 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.676 3.896 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.162 3.786 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.537 2.610 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.149 3.818 3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.329 1.945 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.974 1.904 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.705 -0.183 3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.077 0.102 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.661 0.496 2.352 1.00 0.00 H new ATOM 1282 N LEU A 87 5.920 1.349 1.616 1.00 0.00 N ATOM 1283 CA LEU A 87 5.483 1.179 0.248 1.00 0.00 C ATOM 1284 C LEU A 87 4.230 1.985 -0.073 1.00 0.00 C ATOM 1285 O LEU A 87 4.068 2.414 -1.211 1.00 0.00 O ATOM 1286 CB LEU A 87 5.168 -0.318 0.107 1.00 0.00 C ATOM 1287 CG LEU A 87 6.235 -1.272 -0.449 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.809 -1.754 -1.833 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.677 -0.761 -0.429 1.00 0.00 C ATOM 0 H LEU A 87 5.975 0.464 2.120 1.00 0.00 H new ATOM 0 HA LEU A 87 6.255 1.528 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.885 -0.685 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.288 -0.407 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 87 6.276 -2.110 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.564 -2.432 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.856 -2.277 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.702 -0.898 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.338 -1.521 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.749 0.149 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.973 -0.546 0.598 1.00 0.00 H new ATOM 1301 N ILE A 88 3.319 2.157 0.890 1.00 0.00 N ATOM 1302 CA ILE A 88 2.141 2.985 0.697 1.00 0.00 C ATOM 1303 C ILE A 88 2.563 4.455 0.754 1.00 0.00 C ATOM 1304 O ILE A 88 2.111 5.250 -0.064 1.00 0.00 O ATOM 1305 CB ILE A 88 1.090 2.649 1.769 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.586 1.192 1.621 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.103 3.619 1.687 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.071 0.639 2.892 1.00 0.00 C ATOM 0 H ILE A 88 3.382 1.728 1.813 1.00 0.00 H new ATOM 0 HA ILE A 88 1.688 2.792 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 88 1.570 2.755 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.131 1.146 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.425 0.552 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.834 3.363 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.246 4.639 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.567 3.543 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.400 -0.385 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.650 0.653 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.930 1.256 3.155 1.00 0.00 H new ATOM 1320 N LYS A 89 3.393 4.845 1.724 1.00 0.00 N ATOM 1321 CA LYS A 89 3.844 6.227 1.846 1.00 0.00 C ATOM 1322 C LYS A 89 4.610 6.644 0.581 1.00 0.00 C ATOM 1323 O LYS A 89 4.292 7.654 -0.037 1.00 0.00 O ATOM 1324 CB LYS A 89 4.695 6.356 3.120 1.00 0.00 C ATOM 1325 CG LYS A 89 4.704 7.817 3.582 1.00 0.00 C ATOM 1326 CD LYS A 89 5.607 8.058 4.798 1.00 0.00 C ATOM 1327 CE LYS A 89 4.828 8.043 6.113 1.00 0.00 C ATOM 1328 NZ LYS A 89 4.399 6.690 6.524 1.00 0.00 N ATOM 0 H LYS A 89 3.766 4.218 2.437 1.00 0.00 H new ATOM 0 HA LYS A 89 2.994 6.904 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.292 5.717 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.713 6.018 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.036 8.450 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.686 8.121 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.382 7.292 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.111 9.018 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.448 8.474 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.949 8.681 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.029 6.723 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.655 6.352 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.211 6.042 6.485 1.00 0.00 H new ATOM 1342 N ASP A 90 5.554 5.816 0.165 1.00 0.00 N ATOM 1343 CA ASP A 90 6.412 5.892 -1.004 1.00 0.00 C ATOM 1344 C ASP A 90 5.665 5.502 -2.287 1.00 0.00 C ATOM 1345 O ASP A 90 6.297 5.410 -3.347 1.00 0.00 O ATOM 1346 CB ASP A 90 7.639 4.965 -0.787 1.00 0.00 C ATOM 1347 CG ASP A 90 8.708 5.536 0.159 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.588 6.680 0.674 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.712 4.828 0.381 1.00 0.00 O ATOM 0 H ASP A 90 5.760 4.975 0.704 1.00 0.00 H new ATOM 0 HA ASP A 90 6.740 6.924 -1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.292 4.011 -0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.099 4.760 -1.754 1.00 0.00 H new ATOM 1354 N ALA A 91 4.343 5.266 -2.232 1.00 0.00 N ATOM 1355 CA ALA A 91 3.556 4.966 -3.425 1.00 0.00 C ATOM 1356 C ALA A 91 3.534 6.137 -4.422 1.00 0.00 C ATOM 1357 O ALA A 91 3.381 5.907 -5.617 1.00 0.00 O ATOM 1358 CB ALA A 91 2.136 4.551 -3.037 1.00 0.00 C ATOM 0 H ALA A 91 3.802 5.279 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 91 4.041 4.132 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.562 4.331 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.176 3.663 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.656 5.363 -2.491 1.00 0.00 H new ATOM 1364 N GLY A 92 3.752 7.379 -3.975 1.00 0.00 N ATOM 1365 CA GLY A 92 3.876 8.543 -4.852 1.00 0.00 C ATOM 1366 C GLY A 92 2.512 9.094 -5.241 1.00 0.00 C ATOM 1367 O GLY A 92 2.245 9.364 -6.412 1.00 0.00 O ATOM 0 H GLY A 92 3.848 7.604 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.454 9.319 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.428 8.266 -5.750 1.00 0.00 H new ATOM 1371 N LEU A 93 1.651 9.270 -4.237 1.00 0.00 N ATOM 1372 CA LEU A 93 0.269 9.755 -4.262 1.00 0.00 C ATOM 1373 C LEU A 93 -0.699 8.783 -4.901 1.00 0.00 C ATOM 1374 O LEU A 93 -1.853 8.780 -4.500 1.00 0.00 O ATOM 1375 CB LEU A 93 0.055 11.118 -4.938 1.00 0.00 C ATOM 1376 CG LEU A 93 1.127 12.170 -4.690 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.768 13.466 -5.419 1.00 0.00 C ATOM 1378 CD2 LEU A 93 1.353 12.425 -3.195 1.00 0.00 C ATOM 0 H LEU A 93 1.936 9.052 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 93 0.062 9.864 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.025 10.958 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.902 11.519 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 93 2.067 11.787 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.541 14.213 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.696 13.273 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.189 13.837 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.126 13.183 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.425 12.774 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.668 11.500 -2.712 1.00 0.00 H new ATOM 1390 N SER A 94 -0.277 7.979 -5.866 1.00 0.00 N ATOM 1391 CA SER A 94 -1.080 6.933 -6.485 1.00 0.00 C ATOM 1392 C SER A 94 -0.801 5.616 -5.769 1.00 0.00 C ATOM 1393 O SER A 94 0.361 5.277 -5.559 1.00 0.00 O ATOM 1394 CB SER A 94 -0.749 6.837 -7.987 1.00 0.00 C ATOM 1395 OG SER A 94 0.516 7.374 -8.342 1.00 0.00 O ATOM 0 H SER A 94 0.665 8.038 -6.253 1.00 0.00 H new ATOM 0 HA SER A 94 -2.141 7.166 -6.395 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.784 5.790 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.523 7.357 -8.552 1.00 0.00 H new ATOM 0 HG SER A 94 0.654 7.275 -9.307 1.00 0.00 H new ATOM 1401 N VAL A 95 -1.837 4.873 -5.369 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.683 3.523 -4.871 1.00 0.00 C ATOM 1403 C VAL A 95 -2.759 2.646 -5.500 1.00 0.00 C ATOM 1404 O VAL A 95 -3.943 2.992 -5.504 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.673 3.524 -3.334 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.026 3.828 -2.674 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.169 2.178 -2.824 1.00 0.00 C ATOM 0 H VAL A 95 -2.803 5.200 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.723 3.096 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.009 4.341 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.915 3.805 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.368 4.816 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.756 3.079 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.163 2.181 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.826 1.385 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.158 2.005 -3.192 1.00 0.00 H new ATOM 1417 N THR A 96 -2.326 1.511 -6.030 1.00 0.00 N ATOM 1418 CA THR A 96 -3.163 0.427 -6.500 1.00 0.00 C ATOM 1419 C THR A 96 -3.256 -0.566 -5.340 1.00 0.00 C ATOM 1420 O THR A 96 -2.228 -1.013 -4.823 1.00 0.00 O ATOM 1421 CB THR A 96 -2.551 -0.225 -7.760 1.00 0.00 C ATOM 1422 OG1 THR A 96 -1.690 0.659 -8.475 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.661 -0.714 -8.694 1.00 0.00 C ATOM 0 H THR A 96 -1.332 1.316 -6.148 1.00 0.00 H new ATOM 0 HA THR A 96 -4.154 0.777 -6.790 1.00 0.00 H new ATOM 0 HB THR A 96 -1.949 -1.066 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.879 0.822 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.217 -1.171 -9.578 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.276 -1.449 -8.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.281 0.130 -8.995 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.462 -0.923 -4.913 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.721 -1.915 -3.881 1.00 0.00 C ATOM 1433 C LEU A 97 -5.485 -3.026 -4.573 1.00 0.00 C ATOM 1434 O LEU A 97 -6.634 -2.839 -4.969 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.474 -1.292 -2.689 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.569 -0.308 -1.917 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.381 0.647 -1.045 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.576 -1.051 -1.018 1.00 0.00 C ATOM 0 H LEU A 97 -5.316 -0.513 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.806 -2.311 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.362 -0.771 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.816 -2.080 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.029 0.263 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.706 1.322 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.058 1.227 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.960 0.075 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.954 -0.329 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.122 -1.658 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.944 -1.696 -1.629 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.813 -4.156 -4.798 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.434 -5.322 -5.415 1.00 0.00 C ATOM 1452 C ARG A 98 -6.033 -6.150 -4.283 1.00 0.00 C ATOM 1453 O ARG A 98 -5.326 -6.573 -3.363 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.445 -6.069 -6.323 1.00 0.00 C ATOM 1455 CG ARG A 98 -5.011 -7.387 -6.881 1.00 0.00 C ATOM 1456 CD ARG A 98 -4.255 -7.907 -8.119 1.00 0.00 C ATOM 1457 NE ARG A 98 -4.939 -7.536 -9.376 1.00 0.00 N ATOM 1458 CZ ARG A 98 -4.377 -7.170 -10.537 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -3.059 -7.180 -10.716 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -5.135 -6.781 -11.549 1.00 0.00 N ATOM 0 H ARG A 98 -3.830 -4.286 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.239 -5.049 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.164 -5.421 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.535 -6.281 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.978 -8.147 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.060 -7.242 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.243 -7.503 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.165 -8.992 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.959 -7.561 -9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.443 -7.472 -9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.664 -6.895 -11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.150 -6.759 -11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.705 -6.503 -12.431 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.348 -6.322 -4.333 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.198 -6.936 -3.316 1.00 0.00 C ATOM 1476 C ILE A 99 -8.890 -8.163 -3.930 1.00 0.00 C ATOM 1477 O ILE A 99 -8.727 -8.416 -5.129 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.166 -5.874 -2.740 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.225 -5.358 -3.745 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.371 -4.675 -2.176 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.554 -6.125 -3.702 1.00 0.00 C ATOM 0 H ILE A 99 -7.888 -6.015 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.618 -7.297 -2.466 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.716 -6.384 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.419 -4.304 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.815 -5.419 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.064 -3.936 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.707 -5.019 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.780 -4.223 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.242 -5.703 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.376 -7.175 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.990 -6.043 -2.706 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.671 -8.927 -3.158 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.497 -10.005 -3.691 1.00 0.00 C ATOM 1495 C ILE A 100 -11.974 -9.646 -3.488 1.00 0.00 C ATOM 1496 O ILE A 100 -12.401 -9.485 -2.341 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.110 -11.374 -3.105 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.672 -11.784 -3.486 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.059 -12.435 -3.678 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.605 -11.299 -2.503 1.00 0.00 C ATOM 0 H ILE A 100 -9.745 -8.812 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.320 -10.106 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.177 -11.301 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.621 -12.871 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.444 -11.391 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.799 -13.413 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.086 -12.191 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.968 -12.456 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.622 -11.628 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.626 -10.210 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.806 -11.713 -1.515 1.00 0.00 H new ATOM 1512 N PRO A 101 -12.758 -9.491 -4.569 1.00 0.00 N ATOM 1513 CA PRO A 101 -14.159 -9.122 -4.484 1.00 0.00 C ATOM 1514 C PRO A 101 -14.978 -10.319 -4.024 1.00 0.00 C ATOM 1515 O PRO A 101 -14.526 -11.470 -4.057 1.00 0.00 O ATOM 1516 CB PRO A 101 -14.546 -8.675 -5.890 1.00 0.00 C ATOM 1517 CG PRO A 101 -13.622 -9.477 -6.802 1.00 0.00 C ATOM 1518 CD PRO A 101 -12.391 -9.761 -5.948 1.00 0.00 C ATOM 0 HA PRO A 101 -14.343 -8.326 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.595 -8.885 -6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.403 -7.602 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.096 -10.401 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.362 -8.913 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.071 -10.796 -6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.556 -9.132 -6.255 1.00 0.00 H new ATOM 1526 N GLN A 102 -16.193 -10.042 -3.575 1.00 0.00 N ATOM 1527 CA GLN A 102 -17.126 -11.034 -3.110 1.00 0.00 C ATOM 1528 C GLN A 102 -18.428 -10.853 -3.866 1.00 0.00 C ATOM 1529 O GLN A 102 -18.983 -9.750 -3.948 1.00 0.00 O ATOM 1530 CB GLN A 102 -17.354 -10.897 -1.602 1.00 0.00 C ATOM 1531 CG GLN A 102 -16.558 -11.913 -0.777 1.00 0.00 C ATOM 1532 CD GLN A 102 -15.136 -11.513 -0.419 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -14.862 -11.067 0.692 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -14.166 -11.760 -1.277 1.00 0.00 N ATOM 0 H GLN A 102 -16.559 -9.091 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.727 -12.032 -3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -17.079 -9.890 -1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -18.416 -11.018 -1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.103 -12.108 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -16.522 -12.852 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.385 -12.131 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.196 -11.581 -1.016 1.00 0.00 H new ATOM 1543 N GLU A 103 -18.918 -11.984 -4.353 1.00 0.00 N ATOM 1544 CA GLU A 103 -20.217 -12.133 -4.976 1.00 0.00 C ATOM 1545 C GLU A 103 -20.891 -13.428 -4.513 1.00 0.00 C ATOM 1546 O GLU A 103 -22.080 -13.633 -4.742 1.00 0.00 O ATOM 1547 CB GLU A 103 -20.119 -11.979 -6.504 1.00 0.00 C ATOM 1548 CG GLU A 103 -19.090 -12.905 -7.157 1.00 0.00 C ATOM 1549 CD GLU A 103 -17.626 -12.454 -7.015 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -17.311 -11.248 -7.132 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -16.795 -13.342 -6.719 1.00 0.00 O ATOM 0 H GLU A 103 -18.395 -12.859 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.871 -11.325 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -21.098 -12.174 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.864 -10.946 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.192 -13.900 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.326 -12.994 -8.217 1.00 0.00 H new ATOM 1558 N GLU A 104 -20.144 -14.274 -3.806 1.00 0.00 N ATOM 1559 CA GLU A 104 -20.533 -15.638 -3.473 1.00 0.00 C ATOM 1560 C GLU A 104 -19.792 -16.110 -2.212 1.00 0.00 C ATOM 1561 O GLU A 104 -19.354 -17.255 -2.105 1.00 0.00 O ATOM 1562 CB GLU A 104 -20.312 -16.527 -4.714 1.00 0.00 C ATOM 1563 CG GLU A 104 -21.615 -17.210 -5.155 1.00 0.00 C ATOM 1564 CD GLU A 104 -22.109 -18.258 -4.145 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -22.458 -17.915 -2.987 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -22.201 -19.450 -4.523 1.00 0.00 O ATOM 0 H GLU A 104 -19.226 -14.020 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 104 -21.592 -15.701 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -19.922 -15.921 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -19.560 -17.284 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -22.387 -16.454 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -21.460 -17.689 -6.122 1.00 0.00 H new ATOM 1573 N LEU A 105 -19.611 -15.198 -1.254 1.00 0.00 N ATOM 1574 CA LEU A 105 -19.251 -15.505 0.132 1.00 0.00 C ATOM 1575 C LEU A 105 -20.177 -14.674 1.017 1.00 0.00 C ATOM 1576 O LEU A 105 -20.213 -13.447 0.879 1.00 0.00 O ATOM 1577 CB LEU A 105 -17.773 -15.194 0.426 1.00 0.00 C ATOM 1578 CG LEU A 105 -16.811 -16.218 -0.208 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -15.965 -15.580 -1.308 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -15.918 -16.829 0.861 1.00 0.00 C ATOM 0 H LEU A 105 -19.714 -14.198 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 105 -19.372 -16.570 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -17.534 -14.198 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -17.618 -15.175 1.505 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.410 -17.006 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.298 -16.329 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.618 -15.189 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.375 -14.766 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.243 -17.551 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.336 -16.043 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.534 -17.332 1.606 1.00 0.00 H new ATOM 1592 N ASN A 106 -20.954 -15.332 1.880 1.00 0.00 N ATOM 1593 CA ASN A 106 -21.919 -14.736 2.803 1.00 0.00 C ATOM 1594 C ASN A 106 -22.023 -15.671 4.010 1.00 0.00 C ATOM 1595 O ASN A 106 -22.438 -16.819 3.833 1.00 0.00 O ATOM 1596 CB ASN A 106 -23.284 -14.571 2.115 1.00 0.00 C ATOM 1597 CG ASN A 106 -24.297 -13.886 3.020 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -24.471 -12.670 2.964 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -25.027 -14.620 3.834 1.00 0.00 N ATOM 0 H ASN A 106 -20.924 -16.349 1.957 1.00 0.00 H new ATOM 0 HA ASN A 106 -21.597 -13.744 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -23.162 -13.989 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -23.663 -15.550 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -25.738 -14.180 4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -24.882 -15.629 3.880 1.00 0.00 H new ATOM 1606 N SER A 107 -21.564 -15.227 5.184 1.00 0.00 N ATOM 1607 CA SER A 107 -21.324 -16.079 6.354 1.00 0.00 C ATOM 1608 C SER A 107 -22.607 -16.531 7.084 1.00 0.00 C ATOM 1609 O SER A 107 -23.680 -15.963 6.857 1.00 0.00 O ATOM 1610 CB SER A 107 -20.379 -15.321 7.308 1.00 0.00 C ATOM 1611 OG SER A 107 -20.767 -13.968 7.487 1.00 0.00 O ATOM 0 H SER A 107 -21.344 -14.245 5.352 1.00 0.00 H new ATOM 0 HA SER A 107 -20.870 -17.006 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 107 -20.363 -15.823 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 107 -19.363 -15.356 6.914 1.00 0.00 H new ATOM 0 HG SER A 107 -20.142 -13.527 8.100 1.00 0.00 H new ATOM 1617 N PRO A 108 -22.510 -17.511 8.007 1.00 0.00 N ATOM 1618 CA PRO A 108 -23.569 -17.857 8.956 1.00 0.00 C ATOM 1619 C PRO A 108 -23.702 -16.810 10.075 1.00 0.00 C ATOM 1620 O PRO A 108 -22.981 -15.805 10.125 1.00 0.00 O ATOM 1621 CB PRO A 108 -23.159 -19.229 9.517 1.00 0.00 C ATOM 1622 CG PRO A 108 -21.637 -19.145 9.506 1.00 0.00 C ATOM 1623 CD PRO A 108 -21.368 -18.398 8.205 1.00 0.00 C ATOM 0 HA PRO A 108 -24.547 -17.884 8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -23.550 -19.390 10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -23.525 -20.047 8.897 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -21.252 -18.607 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -21.174 -20.132 9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -20.439 -17.831 8.266 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -21.264 -19.092 7.371 1.00 0.00 H new ATOM 1631 N SER A 109 -24.635 -17.048 11.001 1.00 0.00 N ATOM 1632 CA SER A 109 -24.738 -16.338 12.272 1.00 0.00 C ATOM 1633 C SER A 109 -24.126 -17.193 13.392 1.00 0.00 C ATOM 1634 O SER A 109 -23.603 -18.282 13.141 1.00 0.00 O ATOM 1635 CB SER A 109 -26.211 -16.030 12.567 1.00 0.00 C ATOM 1636 OG SER A 109 -26.835 -15.263 11.545 1.00 0.00 O ATOM 0 H SER A 109 -25.357 -17.759 10.881 1.00 0.00 H new ATOM 0 HA SER A 109 -24.189 -15.398 12.216 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.754 -16.967 12.693 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.281 -15.491 13.512 1.00 0.00 H new ATOM 0 HG SER A 109 -27.771 -15.098 11.785 1.00 0.00 H new ATOM 1642 N GLY A 110 -24.213 -16.711 14.633 1.00 0.00 N ATOM 1643 CA GLY A 110 -24.299 -17.566 15.810 1.00 0.00 C ATOM 1644 C GLY A 110 -25.744 -17.553 16.332 1.00 0.00 C ATOM 1645 O GLY A 110 -26.529 -16.687 15.923 1.00 0.00 O ATOM 0 H GLY A 110 -24.226 -15.714 14.847 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -23.998 -18.583 15.559 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -23.616 -17.213 16.583 1.00 0.00 H new ATOM 1649 N PRO A 111 -26.104 -18.459 17.257 1.00 0.00 N ATOM 1650 CA PRO A 111 -27.470 -18.599 17.755 1.00 0.00 C ATOM 1651 C PRO A 111 -27.874 -17.432 18.667 1.00 0.00 C ATOM 1652 O PRO A 111 -27.026 -16.642 19.097 1.00 0.00 O ATOM 1653 CB PRO A 111 -27.476 -19.936 18.506 1.00 0.00 C ATOM 1654 CG PRO A 111 -26.032 -20.084 18.988 1.00 0.00 C ATOM 1655 CD PRO A 111 -25.228 -19.456 17.852 1.00 0.00 C ATOM 0 HA PRO A 111 -28.199 -18.582 16.945 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -28.178 -19.924 19.340 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -27.768 -20.760 17.855 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -25.867 -19.568 19.934 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.763 -21.129 19.144 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.312 -18.999 18.226 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -24.934 -20.207 17.119 1.00 0.00 H new ATOM 1663 N SER A 112 -29.157 -17.346 19.014 1.00 0.00 N ATOM 1664 CA SER A 112 -29.682 -16.448 20.039 1.00 0.00 C ATOM 1665 C SER A 112 -30.278 -17.270 21.187 1.00 0.00 C ATOM 1666 O SER A 112 -30.444 -18.491 21.064 1.00 0.00 O ATOM 1667 CB SER A 112 -30.678 -15.461 19.411 1.00 0.00 C ATOM 1668 OG SER A 112 -31.611 -16.103 18.563 1.00 0.00 O ATOM 0 H SER A 112 -29.881 -17.916 18.576 1.00 0.00 H new ATOM 0 HA SER A 112 -28.880 -15.846 20.467 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.212 -14.935 20.202 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.131 -14.709 18.842 1.00 0.00 H new ATOM 0 HG SER A 112 -32.224 -15.437 18.188 1.00 0.00 H new ATOM 1674 N SER A 113 -30.562 -16.613 22.312 1.00 0.00 N ATOM 1675 CA SER A 113 -31.106 -17.238 23.511 1.00 0.00 C ATOM 1676 C SER A 113 -32.525 -17.768 23.263 1.00 0.00 C ATOM 1677 O SER A 113 -33.177 -17.398 22.285 1.00 0.00 O ATOM 1678 CB SER A 113 -31.110 -16.190 24.631 1.00 0.00 C ATOM 1679 OG SER A 113 -31.044 -16.783 25.911 1.00 0.00 O ATOM 0 H SER A 113 -30.416 -15.609 22.414 1.00 0.00 H new ATOM 0 HA SER A 113 -30.490 -18.091 23.794 1.00 0.00 H new ATOM 0 HB2 SER A 113 -30.264 -15.516 24.500 1.00 0.00 H new ATOM 0 HB3 SER A 113 -32.014 -15.585 24.558 1.00 0.00 H new ATOM 0 HG SER A 113 -31.047 -16.083 26.597 1.00 0.00 H new ATOM 1685 N GLY A 114 -33.014 -18.595 24.190 1.00 0.00 N ATOM 1686 CA GLY A 114 -34.436 -18.757 24.436 1.00 0.00 C ATOM 1687 C GLY A 114 -34.812 -17.678 25.429 1.00 0.00 C ATOM 1688 O GLY A 114 -34.348 -17.752 26.591 1.00 0.00 O ATOM 0 H GLY A 114 -32.425 -19.171 24.791 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -35.006 -18.654 23.513 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -34.653 -19.748 24.835 1.00 0.00 H new TER 1692 GLY A 114