USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 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 32 GLN : amide:sc= -0.169 X(o=-0.33,f=-0.3) USER MOD Set 1.2: A 88 SER OG : rot -81:sc= -0.164 USER MOD Single : A 1 MET CE :methyl -148:sc=-0.00955 (180deg=-0.938) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -130:sc= -2.09 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0248 F(o=-0.61,f=-0.025) USER MOD Single : A 13 LYS NZ :NH3+ -99:sc= 1.29 (180deg=0.21) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -62:sc= 0.00345 USER MOD Single : A 18 TYR OH : rot 117:sc= 0.00488 USER MOD Single : A 21 GLN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0218 (180deg=-0.189) USER MOD Single : A 34 MET CE :methyl -149:sc= -0.0977 (180deg=-0.524) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.0927 K(o=0.093,f=-0.42) USER MOD Single : A 42 SER OG : rot -48:sc= 0.301 USER MOD Single : A 45 MET CE :methyl -176:sc= -0.687 (180deg=-0.713) USER MOD Single : A 46 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -7:sc= 0.349 USER MOD Single : A 51 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.21) USER MOD Single : A 53 HIS : no HD1:sc= 0.184 K(o=0.18,f=-2.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -2.45! C(o=-3.9!,f=-2.4!) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -0.6 (180deg=-2.6!) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 75 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 76 GLN : amide:sc= -0.0272 K(o=-0.027,f=-0.72) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 78 LYS NZ :NH3+ 171:sc=-0.00749 (180deg=-0.114) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1) USER MOD Single : A 98 SER OG : rot -28:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.825 -0.292 1.014 1.00 23.04 N ATOM 2 CA MET A 1 -10.727 -0.417 0.039 1.00 73.43 C ATOM 3 C MET A 1 -10.650 -1.868 -0.455 1.00 13.41 C ATOM 4 O MET A 1 -10.400 -2.784 0.334 1.00 21.31 O ATOM 5 CB MET A 1 -9.369 0.014 0.665 1.00 33.05 C ATOM 6 CG MET A 1 -8.184 -0.009 -0.319 1.00 13.53 C ATOM 7 SD MET A 1 -6.602 0.368 0.458 1.00 65.31 S ATOM 8 CE MET A 1 -6.804 2.075 0.950 1.00 73.14 C ATOM 0 H1 MET A 1 -11.880 0.690 1.351 1.00 23.04 H new ATOM 0 H2 MET A 1 -12.724 -0.553 0.560 1.00 23.04 H new ATOM 0 H3 MET A 1 -11.647 -0.925 1.820 1.00 23.04 H new ATOM 0 HA MET A 1 -10.929 0.245 -0.803 1.00 73.43 H new ATOM 0 HB2 MET A 1 -9.471 1.021 1.069 1.00 33.05 H new ATOM 0 HB3 MET A 1 -9.143 -0.645 1.504 1.00 33.05 H new ATOM 0 HG2 MET A 1 -8.127 -0.993 -0.784 1.00 13.53 H new ATOM 0 HG3 MET A 1 -8.369 0.710 -1.117 1.00 13.53 H new ATOM 0 HE1 MET A 1 -5.842 2.584 0.900 1.00 73.14 H new ATOM 0 HE2 MET A 1 -7.509 2.566 0.279 1.00 73.14 H new ATOM 0 HE3 MET A 1 -7.184 2.117 1.971 1.00 73.14 H new ATOM 20 N THR A 2 -10.929 -2.066 -1.750 1.00 12.05 N ATOM 21 CA THR A 2 -10.697 -3.338 -2.453 1.00 51.20 C ATOM 22 C THR A 2 -9.308 -3.294 -3.119 1.00 55.53 C ATOM 23 O THR A 2 -8.617 -2.268 -3.035 1.00 44.21 O ATOM 24 CB THR A 2 -11.799 -3.566 -3.546 1.00 42.15 C ATOM 25 OG1 THR A 2 -11.765 -2.499 -4.506 1.00 20.21 O ATOM 26 CG2 THR A 2 -13.202 -3.646 -2.938 1.00 72.10 C ATOM 0 H THR A 2 -11.326 -1.341 -2.347 1.00 12.05 H new ATOM 0 HA THR A 2 -10.742 -4.159 -1.738 1.00 51.20 H new ATOM 0 HB THR A 2 -11.582 -4.518 -4.030 1.00 42.15 H new ATOM 0 HG1 THR A 2 -12.669 -2.143 -4.632 1.00 20.21 H new ATOM 0 HG21 THR A 2 -13.933 -3.804 -3.730 1.00 72.10 H new ATOM 0 HG22 THR A 2 -13.246 -4.476 -2.232 1.00 72.10 H new ATOM 0 HG23 THR A 2 -13.427 -2.715 -2.418 1.00 72.10 H new ATOM 34 N GLY A 3 -8.908 -4.406 -3.773 1.00 65.22 N ATOM 35 CA GLY A 3 -7.701 -4.421 -4.616 1.00 73.55 C ATOM 36 C GLY A 3 -7.776 -3.408 -5.750 1.00 54.13 C ATOM 37 O GLY A 3 -6.754 -2.863 -6.180 1.00 64.45 O ATOM 0 H GLY A 3 -9.402 -5.297 -3.732 1.00 65.22 H new ATOM 0 HA2 GLY A 3 -6.827 -4.209 -4.000 1.00 73.55 H new ATOM 0 HA3 GLY A 3 -7.563 -5.419 -5.032 1.00 73.55 H new ATOM 41 N GLN A 4 -9.021 -3.166 -6.215 1.00 12.31 N ATOM 42 CA GLN A 4 -9.355 -2.126 -7.190 1.00 41.55 C ATOM 43 C GLN A 4 -9.035 -0.741 -6.616 1.00 3.41 C ATOM 44 O GLN A 4 -8.205 -0.038 -7.174 1.00 54.23 O ATOM 45 CB GLN A 4 -10.857 -2.233 -7.587 1.00 23.31 C ATOM 46 CG GLN A 4 -11.397 -1.079 -8.457 1.00 55.34 C ATOM 47 CD GLN A 4 -12.860 -1.250 -8.884 1.00 73.22 C ATOM 48 OE1 GLN A 4 -13.667 -1.869 -8.188 1.00 11.54 O ATOM 49 NE2 GLN A 4 -13.219 -0.689 -10.025 1.00 52.23 N ATOM 0 H GLN A 4 -9.833 -3.704 -5.912 1.00 12.31 H new ATOM 0 HA GLN A 4 -8.752 -2.268 -8.087 1.00 41.55 H new ATOM 0 HB2 GLN A 4 -11.007 -3.170 -8.123 1.00 23.31 H new ATOM 0 HB3 GLN A 4 -11.453 -2.288 -6.676 1.00 23.31 H new ATOM 0 HG2 GLN A 4 -11.297 -0.144 -7.905 1.00 55.34 H new ATOM 0 HG3 GLN A 4 -10.777 -0.990 -9.349 1.00 55.34 H new ATOM 0 HE21 GLN A 4 -12.532 -0.182 -10.583 1.00 52.23 H new ATOM 0 HE22 GLN A 4 -14.184 -0.763 -10.348 1.00 52.23 H new ATOM 58 N GLU A 5 -9.653 -0.397 -5.459 1.00 11.15 N ATOM 59 CA GLU A 5 -9.535 0.951 -4.849 1.00 2.55 C ATOM 60 C GLU A 5 -8.078 1.297 -4.496 1.00 61.05 C ATOM 61 O GLU A 5 -7.656 2.448 -4.629 1.00 44.35 O ATOM 62 CB GLU A 5 -10.401 1.065 -3.570 1.00 43.30 C ATOM 63 CG GLU A 5 -11.884 0.694 -3.748 1.00 63.40 C ATOM 64 CD GLU A 5 -12.564 1.385 -4.942 1.00 61.33 C ATOM 65 OE1 GLU A 5 -12.759 2.616 -4.898 1.00 33.14 O ATOM 66 OE2 GLU A 5 -12.921 0.693 -5.917 1.00 44.42 O ATOM 0 H GLU A 5 -10.241 -1.039 -4.927 1.00 11.15 H new ATOM 0 HA GLU A 5 -9.893 1.659 -5.597 1.00 2.55 H new ATOM 0 HB2 GLU A 5 -9.972 0.422 -2.801 1.00 43.30 H new ATOM 0 HB3 GLU A 5 -10.341 2.088 -3.200 1.00 43.30 H new ATOM 0 HG2 GLU A 5 -11.965 -0.386 -3.872 1.00 63.40 H new ATOM 0 HG3 GLU A 5 -12.424 0.952 -2.837 1.00 63.40 H new ATOM 73 N LEU A 6 -7.335 0.273 -4.048 1.00 73.34 N ATOM 74 CA LEU A 6 -5.930 0.402 -3.647 1.00 43.31 C ATOM 75 C LEU A 6 -5.044 0.699 -4.870 1.00 75.41 C ATOM 76 O LEU A 6 -4.218 1.604 -4.826 1.00 11.13 O ATOM 77 CB LEU A 6 -5.484 -0.892 -2.928 1.00 43.31 C ATOM 78 CG LEU A 6 -4.025 -0.928 -2.367 1.00 70.10 C ATOM 79 CD1 LEU A 6 -3.722 0.261 -1.427 1.00 51.01 C ATOM 80 CD2 LEU A 6 -3.770 -2.266 -1.659 1.00 54.02 C ATOM 0 H LEU A 6 -7.698 -0.675 -3.954 1.00 73.34 H new ATOM 0 HA LEU A 6 -5.823 1.239 -2.957 1.00 43.31 H new ATOM 0 HB2 LEU A 6 -6.169 -1.072 -2.100 1.00 43.31 H new ATOM 0 HB3 LEU A 6 -5.599 -1.723 -3.624 1.00 43.31 H new ATOM 0 HG LEU A 6 -3.345 -0.833 -3.213 1.00 70.10 H new ATOM 0 HD11 LEU A 6 -2.696 0.187 -1.066 1.00 51.01 H new ATOM 0 HD12 LEU A 6 -3.849 1.197 -1.972 1.00 51.01 H new ATOM 0 HD13 LEU A 6 -4.407 0.239 -0.580 1.00 51.01 H new ATOM 0 HD21 LEU A 6 -2.752 -2.284 -1.271 1.00 54.02 H new ATOM 0 HD22 LEU A 6 -4.474 -2.382 -0.835 1.00 54.02 H new ATOM 0 HD23 LEU A 6 -3.903 -3.084 -2.368 1.00 54.02 H new ATOM 92 N ARG A 7 -5.264 -0.058 -5.965 1.00 32.21 N ATOM 93 CA ARG A 7 -4.540 0.134 -7.240 1.00 14.25 C ATOM 94 C ARG A 7 -4.858 1.508 -7.849 1.00 22.10 C ATOM 95 O ARG A 7 -3.966 2.204 -8.331 1.00 75.44 O ATOM 96 CB ARG A 7 -4.921 -0.981 -8.242 1.00 44.43 C ATOM 97 CG ARG A 7 -4.137 -0.937 -9.570 1.00 55.34 C ATOM 98 CD ARG A 7 -4.510 -2.081 -10.524 1.00 35.12 C ATOM 99 NE ARG A 7 -3.789 -1.986 -11.801 1.00 3.51 N ATOM 100 CZ ARG A 7 -4.121 -2.639 -12.924 1.00 41.15 C ATOM 101 NH1 ARG A 7 -5.184 -3.444 -12.963 1.00 41.41 N ATOM 102 NH2 ARG A 7 -3.392 -2.476 -14.014 1.00 24.24 N ATOM 0 H ARG A 7 -5.945 -0.817 -5.991 1.00 32.21 H new ATOM 0 HA ARG A 7 -3.471 0.084 -7.034 1.00 14.25 H new ATOM 0 HB2 ARG A 7 -4.758 -1.949 -7.769 1.00 44.43 H new ATOM 0 HB3 ARG A 7 -5.986 -0.909 -8.460 1.00 44.43 H new ATOM 0 HG2 ARG A 7 -4.323 0.016 -10.064 1.00 55.34 H new ATOM 0 HG3 ARG A 7 -3.069 -0.982 -9.357 1.00 55.34 H new ATOM 0 HD2 ARG A 7 -4.285 -3.037 -10.050 1.00 35.12 H new ATOM 0 HD3 ARG A 7 -5.584 -2.063 -10.711 1.00 35.12 H new ATOM 0 HE ARG A 7 -2.972 -1.376 -11.836 1.00 3.51 H new ATOM 0 HH11 ARG A 7 -5.759 -3.570 -12.130 1.00 41.41 H new ATOM 0 HH12 ARG A 7 -5.422 -3.933 -13.826 1.00 41.41 H new ATOM 0 HH21 ARG A 7 -2.582 -1.856 -13.998 1.00 24.24 H new ATOM 0 HH22 ARG A 7 -3.639 -2.970 -14.871 1.00 24.24 H new ATOM 116 N GLN A 8 -6.144 1.882 -7.787 1.00 62.51 N ATOM 117 CA GLN A 8 -6.659 3.144 -8.331 1.00 1.31 C ATOM 118 C GLN A 8 -6.130 4.350 -7.538 1.00 21.21 C ATOM 119 O GLN A 8 -6.024 5.442 -8.080 1.00 55.31 O ATOM 120 CB GLN A 8 -8.207 3.125 -8.319 1.00 34.14 C ATOM 121 CG GLN A 8 -8.849 2.151 -9.331 1.00 32.05 C ATOM 122 CD GLN A 8 -8.620 2.530 -10.799 1.00 54.42 C ATOM 123 OE1 GLN A 8 -8.646 3.822 -11.106 1.00 11.14 O flip ATOM 124 NE2 GLN A 8 -8.486 1.666 -11.669 1.00 64.04 N flip ATOM 0 H GLN A 8 -6.865 1.307 -7.351 1.00 62.51 H new ATOM 0 HA GLN A 8 -6.309 3.245 -9.358 1.00 1.31 H new ATOM 0 HB2 GLN A 8 -8.546 2.861 -7.317 1.00 34.14 H new ATOM 0 HB3 GLN A 8 -8.571 4.132 -8.524 1.00 34.14 H new ATOM 0 HG2 GLN A 8 -8.451 1.151 -9.159 1.00 32.05 H new ATOM 0 HG3 GLN A 8 -9.922 2.104 -9.143 1.00 32.05 H new ATOM 0 HE21 GLN A 8 -8.469 0.680 -11.410 1.00 64.04 H new ATOM 0 HE22 GLN A 8 -8.392 1.938 -12.648 1.00 64.04 H new ATOM 133 N LEU A 9 -5.800 4.120 -6.255 1.00 52.34 N ATOM 134 CA LEU A 9 -5.181 5.130 -5.378 1.00 22.31 C ATOM 135 C LEU A 9 -3.732 5.422 -5.842 1.00 24.23 C ATOM 136 O LEU A 9 -3.284 6.572 -5.838 1.00 50.14 O ATOM 137 CB LEU A 9 -5.223 4.615 -3.911 1.00 70.21 C ATOM 138 CG LEU A 9 -4.667 5.566 -2.800 1.00 44.21 C ATOM 139 CD1 LEU A 9 -5.383 6.928 -2.808 1.00 23.24 C ATOM 140 CD2 LEU A 9 -4.764 4.900 -1.411 1.00 50.24 C ATOM 0 H LEU A 9 -5.956 3.223 -5.795 1.00 52.34 H new ATOM 0 HA LEU A 9 -5.734 6.068 -5.433 1.00 22.31 H new ATOM 0 HB2 LEU A 9 -6.259 4.379 -3.666 1.00 70.21 H new ATOM 0 HB3 LEU A 9 -4.664 3.680 -3.866 1.00 70.21 H new ATOM 0 HG LEU A 9 -3.615 5.750 -3.020 1.00 44.21 H new ATOM 0 HD11 LEU A 9 -4.970 7.561 -2.023 1.00 23.24 H new ATOM 0 HD12 LEU A 9 -5.239 7.409 -3.775 1.00 23.24 H new ATOM 0 HD13 LEU A 9 -6.448 6.780 -2.632 1.00 23.24 H new ATOM 0 HD21 LEU A 9 -4.372 5.579 -0.654 1.00 50.24 H new ATOM 0 HD22 LEU A 9 -5.806 4.672 -1.189 1.00 50.24 H new ATOM 0 HD23 LEU A 9 -4.182 3.978 -1.408 1.00 50.24 H new ATOM 152 N LEU A 10 -3.037 4.351 -6.282 1.00 74.02 N ATOM 153 CA LEU A 10 -1.645 4.423 -6.782 1.00 54.31 C ATOM 154 C LEU A 10 -1.612 5.045 -8.200 1.00 54.24 C ATOM 155 O LEU A 10 -0.687 5.791 -8.546 1.00 71.43 O ATOM 156 CB LEU A 10 -1.024 2.994 -6.801 1.00 3.03 C ATOM 157 CG LEU A 10 -1.161 2.168 -5.482 1.00 32.31 C ATOM 158 CD1 LEU A 10 -0.659 0.723 -5.663 1.00 11.24 C ATOM 159 CD2 LEU A 10 -0.463 2.860 -4.299 1.00 42.54 C ATOM 0 H LEU A 10 -3.426 3.408 -6.301 1.00 74.02 H new ATOM 0 HA LEU A 10 -1.059 5.058 -6.118 1.00 54.31 H new ATOM 0 HB2 LEU A 10 -1.488 2.429 -7.609 1.00 3.03 H new ATOM 0 HB3 LEU A 10 0.035 3.083 -7.042 1.00 3.03 H new ATOM 0 HG LEU A 10 -2.224 2.118 -5.246 1.00 32.31 H new ATOM 0 HD11 LEU A 10 -0.770 0.179 -4.725 1.00 11.24 H new ATOM 0 HD12 LEU A 10 -1.243 0.230 -6.440 1.00 11.24 H new ATOM 0 HD13 LEU A 10 0.392 0.736 -5.953 1.00 11.24 H new ATOM 0 HD21 LEU A 10 -0.582 2.253 -3.401 1.00 42.54 H new ATOM 0 HD22 LEU A 10 0.598 2.977 -4.520 1.00 42.54 H new ATOM 0 HD23 LEU A 10 -0.910 3.841 -4.136 1.00 42.54 H new ATOM 171 N LEU A 11 -2.647 4.722 -9.005 1.00 2.44 N ATOM 172 CA LEU A 11 -2.802 5.224 -10.388 1.00 31.45 C ATOM 173 C LEU A 11 -3.223 6.703 -10.408 1.00 14.22 C ATOM 174 O LEU A 11 -2.821 7.463 -11.297 1.00 41.44 O ATOM 175 CB LEU A 11 -3.836 4.363 -11.170 1.00 43.41 C ATOM 176 CG LEU A 11 -3.405 2.894 -11.466 1.00 74.04 C ATOM 177 CD1 LEU A 11 -4.522 2.110 -12.178 1.00 65.35 C ATOM 178 CD2 LEU A 11 -2.101 2.857 -12.281 1.00 61.34 C ATOM 0 H LEU A 11 -3.403 4.102 -8.712 1.00 2.44 H new ATOM 0 HA LEU A 11 -1.831 5.143 -10.877 1.00 31.45 H new ATOM 0 HB2 LEU A 11 -4.767 4.342 -10.603 1.00 43.41 H new ATOM 0 HB3 LEU A 11 -4.051 4.857 -12.117 1.00 43.41 H new ATOM 0 HG LEU A 11 -3.221 2.406 -10.509 1.00 74.04 H new ATOM 0 HD11 LEU A 11 -4.186 1.091 -12.368 1.00 65.35 H new ATOM 0 HD12 LEU A 11 -5.410 2.088 -11.547 1.00 65.35 H new ATOM 0 HD13 LEU A 11 -4.761 2.596 -13.124 1.00 65.35 H new ATOM 0 HD21 LEU A 11 -1.822 1.821 -12.474 1.00 61.34 H new ATOM 0 HD22 LEU A 11 -2.249 3.376 -13.228 1.00 61.34 H new ATOM 0 HD23 LEU A 11 -1.307 3.348 -11.719 1.00 61.34 H new ATOM 190 N ASP A 12 -4.044 7.091 -9.426 1.00 24.22 N ATOM 191 CA ASP A 12 -4.497 8.484 -9.258 1.00 32.31 C ATOM 192 C ASP A 12 -3.331 9.375 -8.813 1.00 62.10 C ATOM 193 O ASP A 12 -3.235 10.536 -9.220 1.00 13.34 O ATOM 194 CB ASP A 12 -5.657 8.548 -8.226 1.00 70.51 C ATOM 195 CG ASP A 12 -6.158 9.981 -7.953 1.00 44.43 C ATOM 196 OD1 ASP A 12 -6.869 10.545 -8.810 1.00 73.00 O ATOM 197 OD2 ASP A 12 -5.844 10.547 -6.878 1.00 11.05 O ATOM 0 H ASP A 12 -4.415 6.452 -8.723 1.00 24.22 H new ATOM 0 HA ASP A 12 -4.863 8.852 -10.216 1.00 32.31 H new ATOM 0 HB2 ASP A 12 -6.489 7.943 -8.588 1.00 70.51 H new ATOM 0 HB3 ASP A 12 -5.324 8.103 -7.288 1.00 70.51 H new ATOM 202 N LYS A 13 -2.429 8.803 -7.999 1.00 64.50 N ATOM 203 CA LYS A 13 -1.336 9.557 -7.379 1.00 12.31 C ATOM 204 C LYS A 13 -0.122 9.665 -8.319 1.00 32.42 C ATOM 205 O LYS A 13 0.208 10.751 -8.803 1.00 61.10 O ATOM 206 CB LYS A 13 -0.918 8.888 -6.038 1.00 23.43 C ATOM 207 CG LYS A 13 0.086 9.717 -5.216 1.00 43.02 C ATOM 208 CD LYS A 13 -0.495 11.071 -4.771 1.00 54.02 C ATOM 209 CE LYS A 13 0.549 11.983 -4.133 1.00 32.53 C ATOM 210 NZ LYS A 13 -0.071 13.239 -3.641 1.00 25.34 N ATOM 0 H LYS A 13 -2.439 7.812 -7.756 1.00 64.50 H new ATOM 0 HA LYS A 13 -1.696 10.567 -7.181 1.00 12.31 H new ATOM 0 HB2 LYS A 13 -1.810 8.714 -5.436 1.00 23.43 H new ATOM 0 HB3 LYS A 13 -0.481 7.912 -6.250 1.00 23.43 H new ATOM 0 HG2 LYS A 13 0.389 9.148 -4.337 1.00 43.02 H new ATOM 0 HG3 LYS A 13 0.984 9.888 -5.810 1.00 43.02 H new ATOM 0 HD2 LYS A 13 -0.932 11.575 -5.633 1.00 54.02 H new ATOM 0 HD3 LYS A 13 -1.303 10.898 -4.060 1.00 54.02 H new ATOM 0 HE2 LYS A 13 1.033 11.464 -3.306 1.00 32.53 H new ATOM 0 HE3 LYS A 13 1.326 12.218 -4.861 1.00 32.53 H new ATOM 0 HZ1 LYS A 13 0.082 13.997 -4.336 1.00 25.34 H new ATOM 0 HZ2 LYS A 13 -1.092 13.093 -3.507 1.00 25.34 H new ATOM 0 HZ3 LYS A 13 0.362 13.508 -2.734 1.00 25.34 H new ATOM 224 N TRP A 14 0.519 8.520 -8.588 1.00 3.54 N ATOM 225 CA TRP A 14 1.808 8.463 -9.306 1.00 14.15 C ATOM 226 C TRP A 14 1.625 7.969 -10.752 1.00 53.55 C ATOM 227 O TRP A 14 2.523 8.132 -11.588 1.00 63.01 O ATOM 228 CB TRP A 14 2.767 7.534 -8.538 1.00 61.05 C ATOM 229 CG TRP A 14 3.026 7.953 -7.104 1.00 0.14 C ATOM 230 CD1 TRP A 14 3.648 9.095 -6.689 1.00 44.02 C ATOM 231 CD2 TRP A 14 2.675 7.237 -5.902 1.00 71.31 C ATOM 232 NE1 TRP A 14 3.701 9.135 -5.319 1.00 65.53 N ATOM 233 CE2 TRP A 14 3.116 8.011 -4.811 1.00 54.44 C ATOM 234 CE3 TRP A 14 2.035 6.024 -5.642 1.00 20.34 C ATOM 235 CZ2 TRP A 14 2.937 7.615 -3.485 1.00 43.24 C ATOM 236 CZ3 TRP A 14 1.863 5.630 -4.328 1.00 54.30 C ATOM 237 CH2 TRP A 14 2.307 6.425 -3.263 1.00 31.05 C ATOM 0 H TRP A 14 0.162 7.604 -8.316 1.00 3.54 H new ATOM 0 HA TRP A 14 2.227 9.468 -9.357 1.00 14.15 H new ATOM 0 HB2 TRP A 14 2.356 6.524 -8.541 1.00 61.05 H new ATOM 0 HB3 TRP A 14 3.718 7.493 -9.070 1.00 61.05 H new ATOM 0 HD1 TRP A 14 4.042 9.857 -7.345 1.00 44.02 H new ATOM 0 HE1 TRP A 14 4.113 9.887 -4.766 1.00 65.53 H new ATOM 0 HE3 TRP A 14 1.681 5.405 -6.453 1.00 20.34 H new ATOM 0 HZ2 TRP A 14 3.284 8.227 -2.666 1.00 43.24 H new ATOM 0 HZ3 TRP A 14 1.376 4.689 -4.118 1.00 54.30 H new ATOM 0 HH2 TRP A 14 2.148 6.090 -2.249 1.00 31.05 H new ATOM 248 N GLY A 15 0.465 7.351 -11.026 1.00 41.35 N ATOM 249 CA GLY A 15 0.130 6.884 -12.375 1.00 54.41 C ATOM 250 C GLY A 15 0.671 5.507 -12.699 1.00 12.34 C ATOM 251 O GLY A 15 0.692 5.102 -13.864 1.00 71.13 O ATOM 0 H GLY A 15 -0.255 7.164 -10.328 1.00 41.35 H new ATOM 0 HA2 GLY A 15 -0.954 6.873 -12.486 1.00 54.41 H new ATOM 0 HA3 GLY A 15 0.518 7.597 -13.103 1.00 54.41 H new ATOM 255 N TYR A 16 1.115 4.782 -11.671 1.00 23.24 N ATOM 256 CA TYR A 16 1.642 3.415 -11.814 1.00 74.43 C ATOM 257 C TYR A 16 1.100 2.536 -10.684 1.00 65.43 C ATOM 258 O TYR A 16 0.827 3.021 -9.578 1.00 30.31 O ATOM 259 CB TYR A 16 3.194 3.390 -11.806 1.00 10.44 C ATOM 260 CG TYR A 16 3.864 4.062 -13.012 1.00 30.43 C ATOM 261 CD1 TYR A 16 4.057 3.369 -14.208 1.00 74.12 C ATOM 262 CD2 TYR A 16 4.305 5.386 -12.950 1.00 63.31 C ATOM 263 CE1 TYR A 16 4.665 3.971 -15.294 1.00 53.04 C ATOM 264 CE2 TYR A 16 4.911 5.991 -14.033 1.00 45.44 C ATOM 265 CZ TYR A 16 5.090 5.282 -15.204 1.00 12.01 C ATOM 266 OH TYR A 16 5.699 5.886 -16.288 1.00 75.03 O ATOM 0 H TYR A 16 1.121 5.124 -10.710 1.00 23.24 H new ATOM 0 HA TYR A 16 1.312 3.027 -12.778 1.00 74.43 H new ATOM 0 HB2 TYR A 16 3.545 3.878 -10.897 1.00 10.44 H new ATOM 0 HB3 TYR A 16 3.525 2.352 -11.758 1.00 10.44 H new ATOM 0 HD1 TYR A 16 3.725 2.344 -14.287 1.00 74.12 H new ATOM 0 HD2 TYR A 16 4.169 5.947 -12.037 1.00 63.31 H new ATOM 0 HE1 TYR A 16 4.807 3.417 -16.210 1.00 53.04 H new ATOM 0 HE2 TYR A 16 5.244 7.016 -13.964 1.00 45.44 H new ATOM 0 HH TYR A 16 5.936 6.809 -16.058 1.00 75.03 H new ATOM 276 N SER A 17 0.948 1.248 -10.988 1.00 55.13 N ATOM 277 CA SER A 17 0.454 0.251 -10.052 1.00 2.43 C ATOM 278 C SER A 17 1.652 -0.323 -9.280 1.00 62.52 C ATOM 279 O SER A 17 2.291 -1.276 -9.734 1.00 63.23 O ATOM 280 CB SER A 17 -0.295 -0.860 -10.834 1.00 62.34 C ATOM 281 OG SER A 17 -1.287 -0.315 -11.695 1.00 33.44 O ATOM 0 H SER A 17 1.169 0.866 -11.908 1.00 55.13 H new ATOM 0 HA SER A 17 -0.245 0.695 -9.343 1.00 2.43 H new ATOM 0 HB2 SER A 17 0.419 -1.438 -11.421 1.00 62.34 H new ATOM 0 HB3 SER A 17 -0.762 -1.550 -10.131 1.00 62.34 H new ATOM 0 HG SER A 17 -1.960 0.156 -11.161 1.00 33.44 H new ATOM 287 N TYR A 18 1.974 0.291 -8.134 1.00 73.44 N ATOM 288 CA TYR A 18 3.129 -0.108 -7.307 1.00 60.35 C ATOM 289 C TYR A 18 2.782 -1.291 -6.403 1.00 4.22 C ATOM 290 O TYR A 18 1.639 -1.444 -5.966 1.00 1.04 O ATOM 291 CB TYR A 18 3.614 1.084 -6.455 1.00 45.11 C ATOM 292 CG TYR A 18 4.209 2.221 -7.283 1.00 73.14 C ATOM 293 CD1 TYR A 18 5.555 2.214 -7.643 1.00 45.30 C ATOM 294 CD2 TYR A 18 3.434 3.285 -7.713 1.00 53.03 C ATOM 295 CE1 TYR A 18 6.096 3.224 -8.398 1.00 72.21 C ATOM 296 CE2 TYR A 18 3.971 4.294 -8.471 1.00 42.13 C ATOM 297 CZ TYR A 18 5.301 4.263 -8.814 1.00 13.13 C ATOM 298 OH TYR A 18 5.832 5.270 -9.587 1.00 12.11 O ATOM 0 H TYR A 18 1.446 1.076 -7.752 1.00 73.44 H new ATOM 0 HA TYR A 18 3.930 -0.418 -7.978 1.00 60.35 H new ATOM 0 HB2 TYR A 18 2.777 1.469 -5.872 1.00 45.11 H new ATOM 0 HB3 TYR A 18 4.362 0.732 -5.744 1.00 45.11 H new ATOM 0 HD1 TYR A 18 6.185 1.398 -7.322 1.00 45.30 H new ATOM 0 HD2 TYR A 18 2.388 3.321 -7.447 1.00 53.03 H new ATOM 0 HE1 TYR A 18 7.143 3.202 -8.664 1.00 72.21 H new ATOM 0 HE2 TYR A 18 3.348 5.113 -8.798 1.00 42.13 H new ATOM 0 HH TYR A 18 5.392 5.277 -10.463 1.00 12.11 H new ATOM 308 N ASP A 19 3.784 -2.125 -6.141 1.00 31.54 N ATOM 309 CA ASP A 19 3.664 -3.259 -5.226 1.00 61.41 C ATOM 310 C ASP A 19 3.662 -2.748 -3.782 1.00 54.15 C ATOM 311 O ASP A 19 4.670 -2.263 -3.291 1.00 12.55 O ATOM 312 CB ASP A 19 4.829 -4.257 -5.453 1.00 71.11 C ATOM 313 CG ASP A 19 4.847 -5.410 -4.429 1.00 5.43 C ATOM 314 OD1 ASP A 19 3.841 -6.133 -4.332 1.00 1.54 O ATOM 315 OD2 ASP A 19 5.861 -5.587 -3.722 1.00 34.53 O ATOM 0 H ASP A 19 4.709 -2.033 -6.560 1.00 31.54 H new ATOM 0 HA ASP A 19 2.728 -3.783 -5.418 1.00 61.41 H new ATOM 0 HB2 ASP A 19 4.753 -4.673 -6.458 1.00 71.11 H new ATOM 0 HB3 ASP A 19 5.776 -3.719 -5.402 1.00 71.11 H new ATOM 320 N VAL A 20 2.514 -2.850 -3.115 1.00 4.43 N ATOM 321 CA VAL A 20 2.369 -2.446 -1.709 1.00 11.02 C ATOM 322 C VAL A 20 2.370 -3.706 -0.839 1.00 54.22 C ATOM 323 O VAL A 20 1.667 -4.675 -1.134 1.00 4.03 O ATOM 324 CB VAL A 20 1.060 -1.595 -1.475 1.00 22.32 C ATOM 325 CG1 VAL A 20 1.131 -0.240 -2.213 1.00 4.01 C ATOM 326 CG2 VAL A 20 -0.208 -2.366 -1.890 1.00 11.33 C ATOM 0 H VAL A 20 1.656 -3.214 -3.529 1.00 4.43 H new ATOM 0 HA VAL A 20 3.206 -1.805 -1.434 1.00 11.02 H new ATOM 0 HB VAL A 20 0.998 -1.401 -0.404 1.00 22.32 H new ATOM 0 HG11 VAL A 20 0.215 0.322 -2.032 1.00 4.01 H new ATOM 0 HG12 VAL A 20 1.985 0.330 -1.846 1.00 4.01 H new ATOM 0 HG13 VAL A 20 1.244 -0.414 -3.283 1.00 4.01 H new ATOM 0 HG21 VAL A 20 -1.086 -1.745 -1.713 1.00 11.33 H new ATOM 0 HG22 VAL A 20 -0.150 -2.619 -2.949 1.00 11.33 H new ATOM 0 HG23 VAL A 20 -0.286 -3.281 -1.302 1.00 11.33 H new ATOM 336 N GLN A 21 3.203 -3.706 0.201 1.00 51.31 N ATOM 337 CA GLN A 21 3.417 -4.881 1.063 1.00 52.55 C ATOM 338 C GLN A 21 3.608 -4.452 2.521 1.00 14.11 C ATOM 339 O GLN A 21 4.197 -3.402 2.800 1.00 35.41 O ATOM 340 CB GLN A 21 4.641 -5.695 0.565 1.00 11.33 C ATOM 341 CG GLN A 21 5.938 -4.874 0.418 1.00 1.10 C ATOM 342 CD GLN A 21 7.149 -5.728 0.056 1.00 1.13 C ATOM 343 OE1 GLN A 21 7.871 -6.206 0.923 1.00 2.12 O ATOM 344 NE2 GLN A 21 7.364 -5.950 -1.222 1.00 60.50 N ATOM 0 H GLN A 21 3.753 -2.892 0.475 1.00 51.31 H new ATOM 0 HA GLN A 21 2.534 -5.517 1.010 1.00 52.55 H new ATOM 0 HB2 GLN A 21 4.822 -6.516 1.259 1.00 11.33 H new ATOM 0 HB3 GLN A 21 4.397 -6.141 -0.399 1.00 11.33 H new ATOM 0 HG2 GLN A 21 5.795 -4.114 -0.350 1.00 1.10 H new ATOM 0 HG3 GLN A 21 6.137 -4.350 1.353 1.00 1.10 H new ATOM 0 HE21 GLN A 21 6.746 -5.539 -1.922 1.00 60.50 H new ATOM 0 HE22 GLN A 21 8.148 -6.533 -1.513 1.00 60.50 H new ATOM 353 N PHE A 22 3.079 -5.269 3.439 1.00 4.23 N ATOM 354 CA PHE A 22 3.184 -5.040 4.884 1.00 45.02 C ATOM 355 C PHE A 22 4.597 -5.354 5.397 1.00 40.33 C ATOM 356 O PHE A 22 5.277 -6.257 4.887 1.00 31.42 O ATOM 357 CB PHE A 22 2.136 -5.889 5.637 1.00 1.31 C ATOM 358 CG PHE A 22 0.700 -5.429 5.405 1.00 34.22 C ATOM 359 CD1 PHE A 22 0.246 -4.219 5.936 1.00 43.20 C ATOM 360 CD2 PHE A 22 -0.192 -6.195 4.661 1.00 55.11 C ATOM 361 CE1 PHE A 22 -1.049 -3.801 5.733 1.00 45.33 C ATOM 362 CE2 PHE A 22 -1.482 -5.773 4.462 1.00 23.11 C ATOM 363 CZ PHE A 22 -1.912 -4.575 4.996 1.00 65.30 C ATOM 0 H PHE A 22 2.562 -6.114 3.198 1.00 4.23 H new ATOM 0 HA PHE A 22 2.987 -3.985 5.074 1.00 45.02 H new ATOM 0 HB2 PHE A 22 2.231 -6.929 5.325 1.00 1.31 H new ATOM 0 HB3 PHE A 22 2.352 -5.855 6.705 1.00 1.31 H new ATOM 0 HD1 PHE A 22 0.920 -3.604 6.513 1.00 43.20 H new ATOM 0 HD2 PHE A 22 0.135 -7.132 4.235 1.00 55.11 H new ATOM 0 HE1 PHE A 22 -1.387 -2.865 6.153 1.00 45.33 H new ATOM 0 HE2 PHE A 22 -2.164 -6.380 3.885 1.00 23.11 H new ATOM 0 HZ PHE A 22 -2.928 -4.246 4.834 1.00 65.30 H new ATOM 373 N ARG A 23 5.019 -4.596 6.412 1.00 51.24 N ATOM 374 CA ARG A 23 6.304 -4.774 7.078 1.00 53.05 C ATOM 375 C ARG A 23 6.131 -4.466 8.563 1.00 12.23 C ATOM 376 O ARG A 23 5.640 -3.398 8.936 1.00 64.42 O ATOM 377 CB ARG A 23 7.383 -3.854 6.450 1.00 72.23 C ATOM 378 CG ARG A 23 8.784 -4.012 7.094 1.00 74.01 C ATOM 379 CD ARG A 23 9.840 -3.131 6.428 1.00 43.24 C ATOM 380 NE ARG A 23 11.165 -3.269 7.052 1.00 71.13 N ATOM 381 CZ ARG A 23 12.252 -3.793 6.461 1.00 1.24 C ATOM 382 NH1 ARG A 23 12.206 -4.252 5.211 1.00 55.54 N ATOM 383 NH2 ARG A 23 13.391 -3.851 7.129 1.00 20.13 N ATOM 0 H ARG A 23 4.466 -3.830 6.797 1.00 51.24 H new ATOM 0 HA ARG A 23 6.639 -5.804 6.953 1.00 53.05 H new ATOM 0 HB2 ARG A 23 7.456 -4.069 5.384 1.00 72.23 H new ATOM 0 HB3 ARG A 23 7.064 -2.816 6.545 1.00 72.23 H new ATOM 0 HG2 ARG A 23 8.723 -3.762 8.153 1.00 74.01 H new ATOM 0 HG3 ARG A 23 9.094 -5.055 7.030 1.00 74.01 H new ATOM 0 HD2 ARG A 23 9.911 -3.390 5.372 1.00 43.24 H new ATOM 0 HD3 ARG A 23 9.524 -2.089 6.480 1.00 43.24 H new ATOM 0 HE ARG A 23 11.267 -2.940 8.012 1.00 71.13 H new ATOM 0 HH11 ARG A 23 11.334 -4.209 4.684 1.00 55.54 H new ATOM 0 HH12 ARG A 23 13.043 -4.646 4.781 1.00 55.54 H new ATOM 0 HH21 ARG A 23 13.440 -3.500 8.085 1.00 20.13 H new ATOM 0 HH22 ARG A 23 14.221 -4.247 6.688 1.00 20.13 H new ATOM 397 N ARG A 24 6.539 -5.411 9.402 1.00 12.02 N ATOM 398 CA ARG A 24 6.397 -5.318 10.856 1.00 60.33 C ATOM 399 C ARG A 24 7.776 -5.090 11.483 1.00 4.23 C ATOM 400 O ARG A 24 8.629 -5.979 11.442 1.00 52.03 O ATOM 401 CB ARG A 24 5.755 -6.615 11.399 1.00 50.24 C ATOM 402 CG ARG A 24 4.336 -6.912 10.851 1.00 41.42 C ATOM 403 CD ARG A 24 3.682 -8.127 11.527 1.00 21.15 C ATOM 404 NE ARG A 24 3.557 -7.941 12.977 1.00 63.14 N ATOM 405 CZ ARG A 24 2.824 -8.711 13.801 1.00 44.23 C ATOM 406 NH1 ARG A 24 2.117 -9.741 13.330 1.00 31.44 N ATOM 407 NH2 ARG A 24 2.813 -8.447 15.096 1.00 14.30 N ATOM 0 H ARG A 24 6.983 -6.275 9.091 1.00 12.02 H new ATOM 0 HA ARG A 24 5.750 -4.480 11.115 1.00 60.33 H new ATOM 0 HB2 ARG A 24 6.406 -7.455 11.158 1.00 50.24 H new ATOM 0 HB3 ARG A 24 5.704 -6.552 12.486 1.00 50.24 H new ATOM 0 HG2 ARG A 24 3.704 -6.036 10.997 1.00 41.42 H new ATOM 0 HG3 ARG A 24 4.395 -7.087 9.777 1.00 41.42 H new ATOM 0 HD2 ARG A 24 2.695 -8.296 11.096 1.00 21.15 H new ATOM 0 HD3 ARG A 24 4.275 -9.019 11.325 1.00 21.15 H new ATOM 0 HE ARG A 24 4.068 -7.163 13.395 1.00 63.14 H new ATOM 0 HH11 ARG A 24 2.128 -9.953 12.332 1.00 31.44 H new ATOM 0 HH12 ARG A 24 1.566 -10.316 13.968 1.00 31.44 H new ATOM 0 HH21 ARG A 24 3.357 -7.666 15.462 1.00 14.30 H new ATOM 0 HH22 ARG A 24 2.260 -9.025 15.730 1.00 14.30 H new ATOM 421 N THR A 25 7.997 -3.895 12.032 1.00 31.31 N ATOM 422 CA THR A 25 9.266 -3.531 12.678 1.00 34.02 C ATOM 423 C THR A 25 8.992 -2.769 13.982 1.00 50.23 C ATOM 424 O THR A 25 8.063 -1.945 14.048 1.00 62.13 O ATOM 425 CB THR A 25 10.181 -2.694 11.714 1.00 74.24 C ATOM 426 OG1 THR A 25 11.399 -2.314 12.385 1.00 72.30 O ATOM 427 CG2 THR A 25 9.477 -1.443 11.158 1.00 61.01 C ATOM 0 H THR A 25 7.302 -3.148 12.043 1.00 31.31 H new ATOM 0 HA THR A 25 9.805 -4.448 12.917 1.00 34.02 H new ATOM 0 HB THR A 25 10.412 -3.337 10.865 1.00 74.24 H new ATOM 0 HG1 THR A 25 11.961 -1.794 11.773 1.00 72.30 H new ATOM 0 HG21 THR A 25 10.158 -0.905 10.499 1.00 61.01 H new ATOM 0 HG22 THR A 25 8.591 -1.743 10.598 1.00 61.01 H new ATOM 0 HG23 THR A 25 9.183 -0.794 11.983 1.00 61.01 H new ATOM 435 N GLN A 26 9.771 -3.117 15.036 1.00 4.45 N ATOM 436 CA GLN A 26 9.775 -2.456 16.363 1.00 23.43 C ATOM 437 C GLN A 26 8.505 -2.765 17.205 1.00 0.01 C ATOM 438 O GLN A 26 8.493 -2.511 18.415 1.00 33.03 O ATOM 439 CB GLN A 26 10.017 -0.908 16.243 1.00 63.35 C ATOM 440 CG GLN A 26 11.263 -0.514 15.411 1.00 31.13 C ATOM 441 CD GLN A 26 12.592 -1.039 15.969 1.00 32.23 C ATOM 442 OE1 GLN A 26 12.772 -1.184 17.179 1.00 22.45 O ATOM 443 NE2 GLN A 26 13.541 -1.328 15.089 1.00 31.31 N ATOM 0 H GLN A 26 10.434 -3.890 14.983 1.00 4.45 H new ATOM 0 HA GLN A 26 10.616 -2.886 16.906 1.00 23.43 H new ATOM 0 HB2 GLN A 26 9.136 -0.449 15.794 1.00 63.35 H new ATOM 0 HB3 GLN A 26 10.118 -0.490 17.245 1.00 63.35 H new ATOM 0 HG2 GLN A 26 11.138 -0.886 14.394 1.00 31.13 H new ATOM 0 HG3 GLN A 26 11.314 0.573 15.348 1.00 31.13 H new ATOM 0 HE21 GLN A 26 13.368 -1.200 14.092 1.00 31.31 H new ATOM 0 HE22 GLN A 26 14.444 -1.679 15.409 1.00 31.31 H new ATOM 452 N GLY A 27 7.461 -3.339 16.573 1.00 13.40 N ATOM 453 CA GLY A 27 6.165 -3.586 17.224 1.00 11.30 C ATOM 454 C GLY A 27 5.005 -2.971 16.451 1.00 22.21 C ATOM 455 O GLY A 27 3.841 -3.276 16.728 1.00 41.33 O ATOM 0 H GLY A 27 7.496 -3.642 15.600 1.00 13.40 H new ATOM 0 HA2 GLY A 27 6.007 -4.660 17.319 1.00 11.30 H new ATOM 0 HA3 GLY A 27 6.184 -3.176 18.234 1.00 11.30 H new ATOM 459 N LYS A 28 5.328 -2.102 15.476 1.00 31.35 N ATOM 460 CA LYS A 28 4.335 -1.426 14.619 1.00 44.52 C ATOM 461 C LYS A 28 4.255 -2.061 13.218 1.00 64.13 C ATOM 462 O LYS A 28 5.129 -2.842 12.820 1.00 41.33 O ATOM 463 CB LYS A 28 4.719 0.061 14.505 1.00 23.31 C ATOM 464 CG LYS A 28 4.664 0.812 15.843 1.00 31.03 C ATOM 465 CD LYS A 28 5.247 2.234 15.747 1.00 4.03 C ATOM 466 CE LYS A 28 5.090 3.015 17.058 1.00 52.33 C ATOM 467 NZ LYS A 28 3.661 3.192 17.439 1.00 13.23 N ATOM 0 H LYS A 28 6.291 -1.847 15.259 1.00 31.35 H new ATOM 0 HA LYS A 28 3.351 -1.534 15.075 1.00 44.52 H new ATOM 0 HB2 LYS A 28 5.726 0.138 14.096 1.00 23.31 H new ATOM 0 HB3 LYS A 28 4.049 0.548 13.796 1.00 23.31 H new ATOM 0 HG2 LYS A 28 3.629 0.869 16.181 1.00 31.03 H new ATOM 0 HG3 LYS A 28 5.215 0.247 16.595 1.00 31.03 H new ATOM 0 HD2 LYS A 28 6.304 2.175 15.486 1.00 4.03 H new ATOM 0 HD3 LYS A 28 4.750 2.775 14.942 1.00 4.03 H new ATOM 0 HE2 LYS A 28 5.615 2.491 17.856 1.00 52.33 H new ATOM 0 HE3 LYS A 28 5.561 3.993 16.955 1.00 52.33 H new ATOM 0 HZ1 LYS A 28 3.589 3.901 18.196 1.00 13.23 H new ATOM 0 HZ2 LYS A 28 3.118 3.512 16.612 1.00 13.23 H new ATOM 0 HZ3 LYS A 28 3.277 2.286 17.775 1.00 13.23 H new ATOM 481 N ILE A 29 3.202 -1.672 12.468 1.00 21.54 N ATOM 482 CA ILE A 29 2.931 -2.161 11.104 1.00 35.43 C ATOM 483 C ILE A 29 3.002 -0.982 10.100 1.00 74.23 C ATOM 484 O ILE A 29 2.433 0.096 10.326 1.00 30.41 O ATOM 485 CB ILE A 29 1.534 -2.899 11.029 1.00 35.54 C ATOM 486 CG1 ILE A 29 1.235 -3.456 9.597 1.00 64.05 C ATOM 487 CG2 ILE A 29 0.383 -1.993 11.519 1.00 14.43 C ATOM 488 CD1 ILE A 29 2.243 -4.475 9.090 1.00 72.15 C ATOM 0 H ILE A 29 2.509 -1.001 12.799 1.00 21.54 H new ATOM 0 HA ILE A 29 3.694 -2.891 10.835 1.00 35.43 H new ATOM 0 HB ILE A 29 1.599 -3.753 11.703 1.00 35.54 H new ATOM 0 HG12 ILE A 29 0.246 -3.913 9.599 1.00 64.05 H new ATOM 0 HG13 ILE A 29 1.199 -2.621 8.897 1.00 64.05 H new ATOM 0 HG21 ILE A 29 -0.560 -2.535 11.452 1.00 14.43 H new ATOM 0 HG22 ILE A 29 0.563 -1.704 12.554 1.00 14.43 H new ATOM 0 HG23 ILE A 29 0.333 -1.100 10.896 1.00 14.43 H new ATOM 0 HD11 ILE A 29 1.956 -4.805 8.092 1.00 72.15 H new ATOM 0 HD12 ILE A 29 3.233 -4.020 9.051 1.00 72.15 H new ATOM 0 HD13 ILE A 29 2.264 -5.332 9.763 1.00 72.15 H new ATOM 500 N PHE A 30 3.730 -1.204 8.996 1.00 34.44 N ATOM 501 CA PHE A 30 3.984 -0.198 7.954 1.00 25.43 C ATOM 502 C PHE A 30 3.683 -0.811 6.587 1.00 35.10 C ATOM 503 O PHE A 30 4.203 -1.883 6.268 1.00 2.33 O ATOM 504 CB PHE A 30 5.467 0.269 7.999 1.00 64.13 C ATOM 505 CG PHE A 30 5.888 0.957 9.302 1.00 62.12 C ATOM 506 CD1 PHE A 30 6.286 0.213 10.415 1.00 32.40 C ATOM 507 CD2 PHE A 30 5.880 2.349 9.418 1.00 24.13 C ATOM 508 CE1 PHE A 30 6.663 0.832 11.590 1.00 20.23 C ATOM 509 CE2 PHE A 30 6.260 2.967 10.598 1.00 4.13 C ATOM 510 CZ PHE A 30 6.648 2.209 11.684 1.00 15.23 C ATOM 0 H PHE A 30 4.167 -2.104 8.799 1.00 34.44 H new ATOM 0 HA PHE A 30 3.342 0.666 8.127 1.00 25.43 H new ATOM 0 HB2 PHE A 30 6.110 -0.596 7.838 1.00 64.13 H new ATOM 0 HB3 PHE A 30 5.642 0.955 7.170 1.00 64.13 H new ATOM 0 HD1 PHE A 30 6.299 -0.865 10.355 1.00 32.40 H new ATOM 0 HD2 PHE A 30 5.573 2.952 8.576 1.00 24.13 H new ATOM 0 HE1 PHE A 30 6.970 0.237 12.438 1.00 20.23 H new ATOM 0 HE2 PHE A 30 6.253 4.045 10.668 1.00 4.13 H new ATOM 0 HZ PHE A 30 6.939 2.692 12.605 1.00 15.23 H new ATOM 520 N LEU A 31 2.840 -0.145 5.787 1.00 51.10 N ATOM 521 CA LEU A 31 2.571 -0.559 4.403 1.00 12.40 C ATOM 522 C LEU A 31 3.554 0.163 3.463 1.00 53.20 C ATOM 523 O LEU A 31 3.368 1.341 3.146 1.00 31.43 O ATOM 524 CB LEU A 31 1.103 -0.253 3.990 1.00 21.23 C ATOM 525 CG LEU A 31 0.729 -0.691 2.532 1.00 73.45 C ATOM 526 CD1 LEU A 31 0.878 -2.209 2.366 1.00 42.43 C ATOM 527 CD2 LEU A 31 -0.676 -0.222 2.135 1.00 44.14 C ATOM 0 H LEU A 31 2.329 0.689 6.077 1.00 51.10 H new ATOM 0 HA LEU A 31 2.710 -1.637 4.328 1.00 12.40 H new ATOM 0 HB2 LEU A 31 0.432 -0.752 4.689 1.00 21.23 H new ATOM 0 HB3 LEU A 31 0.927 0.818 4.090 1.00 21.23 H new ATOM 0 HG LEU A 31 1.429 -0.204 1.853 1.00 73.45 H new ATOM 0 HD11 LEU A 31 0.613 -2.491 1.347 1.00 42.43 H new ATOM 0 HD12 LEU A 31 1.910 -2.497 2.566 1.00 42.43 H new ATOM 0 HD13 LEU A 31 0.217 -2.718 3.067 1.00 42.43 H new ATOM 0 HD21 LEU A 31 -0.894 -0.547 1.118 1.00 44.14 H new ATOM 0 HD22 LEU A 31 -1.409 -0.651 2.818 1.00 44.14 H new ATOM 0 HD23 LEU A 31 -0.725 0.866 2.187 1.00 44.14 H new ATOM 539 N GLN A 32 4.613 -0.537 3.039 1.00 74.14 N ATOM 540 CA GLN A 32 5.647 0.045 2.176 1.00 53.13 C ATOM 541 C GLN A 32 5.270 -0.102 0.697 1.00 63.11 C ATOM 542 O GLN A 32 5.182 -1.218 0.164 1.00 10.52 O ATOM 543 CB GLN A 32 7.026 -0.600 2.449 1.00 65.53 C ATOM 544 CG GLN A 32 7.537 -0.388 3.891 1.00 33.31 C ATOM 545 CD GLN A 32 9.030 -0.666 4.067 1.00 35.52 C ATOM 546 OE1 GLN A 32 9.609 -1.502 3.374 1.00 43.14 O ATOM 547 NE2 GLN A 32 9.669 0.029 5.002 1.00 12.12 N ATOM 0 H GLN A 32 4.776 -1.514 3.282 1.00 74.14 H new ATOM 0 HA GLN A 32 5.716 1.107 2.409 1.00 53.13 H new ATOM 0 HB2 GLN A 32 6.963 -1.670 2.249 1.00 65.53 H new ATOM 0 HB3 GLN A 32 7.754 -0.188 1.751 1.00 65.53 H new ATOM 0 HG2 GLN A 32 7.331 0.639 4.192 1.00 33.31 H new ATOM 0 HG3 GLN A 32 6.975 -1.036 4.564 1.00 33.31 H new ATOM 0 HE21 GLN A 32 9.164 0.716 5.562 1.00 12.12 H new ATOM 0 HE22 GLN A 32 10.665 -0.124 5.160 1.00 12.12 H new ATOM 556 N VAL A 33 5.012 1.051 0.072 1.00 71.52 N ATOM 557 CA VAL A 33 4.850 1.171 -1.372 1.00 4.11 C ATOM 558 C VAL A 33 6.230 1.020 -2.036 1.00 51.20 C ATOM 559 O VAL A 33 7.070 1.931 -1.953 1.00 13.52 O ATOM 560 CB VAL A 33 4.223 2.567 -1.754 1.00 64.51 C ATOM 561 CG1 VAL A 33 3.981 2.688 -3.273 1.00 64.31 C ATOM 562 CG2 VAL A 33 2.923 2.836 -0.963 1.00 60.25 C ATOM 0 H VAL A 33 4.909 1.937 0.566 1.00 71.52 H new ATOM 0 HA VAL A 33 4.174 0.391 -1.723 1.00 4.11 H new ATOM 0 HB VAL A 33 4.949 3.331 -1.476 1.00 64.51 H new ATOM 0 HG11 VAL A 33 3.548 3.663 -3.496 1.00 64.31 H new ATOM 0 HG12 VAL A 33 4.928 2.582 -3.802 1.00 64.31 H new ATOM 0 HG13 VAL A 33 3.295 1.905 -3.596 1.00 64.31 H new ATOM 0 HG21 VAL A 33 2.517 3.806 -1.250 1.00 60.25 H new ATOM 0 HG22 VAL A 33 2.194 2.057 -1.186 1.00 60.25 H new ATOM 0 HG23 VAL A 33 3.140 2.835 0.105 1.00 60.25 H new ATOM 572 N MET A 34 6.478 -0.157 -2.630 1.00 2.02 N ATOM 573 CA MET A 34 7.692 -0.424 -3.420 1.00 21.00 C ATOM 574 C MET A 34 7.719 0.464 -4.672 1.00 71.01 C ATOM 575 O MET A 34 6.677 0.824 -5.215 1.00 24.14 O ATOM 576 CB MET A 34 7.765 -1.916 -3.859 1.00 52.12 C ATOM 577 CG MET A 34 7.872 -2.957 -2.734 1.00 44.42 C ATOM 578 SD MET A 34 9.468 -2.957 -1.875 1.00 24.41 S ATOM 579 CE MET A 34 9.165 -1.872 -0.480 1.00 33.42 C ATOM 0 H MET A 34 5.842 -0.953 -2.577 1.00 2.02 H new ATOM 0 HA MET A 34 8.550 -0.200 -2.786 1.00 21.00 H new ATOM 0 HB2 MET A 34 6.877 -2.142 -4.449 1.00 52.12 H new ATOM 0 HB3 MET A 34 8.625 -2.036 -4.518 1.00 52.12 H new ATOM 0 HG2 MET A 34 7.080 -2.774 -2.007 1.00 44.42 H new ATOM 0 HG3 MET A 34 7.697 -3.948 -3.153 1.00 44.42 H new ATOM 0 HE1 MET A 34 10.088 -1.357 -0.213 1.00 33.42 H new ATOM 0 HE2 MET A 34 8.404 -1.139 -0.748 1.00 33.42 H new ATOM 0 HE3 MET A 34 8.818 -2.460 0.370 1.00 33.42 H new ATOM 589 N TRP A 35 8.933 0.782 -5.118 1.00 53.40 N ATOM 590 CA TRP A 35 9.204 1.452 -6.405 1.00 64.31 C ATOM 591 C TRP A 35 8.919 0.507 -7.588 1.00 5.45 C ATOM 592 O TRP A 35 8.788 0.949 -8.736 1.00 23.20 O ATOM 593 CB TRP A 35 10.676 1.934 -6.426 1.00 41.42 C ATOM 594 CG TRP A 35 11.693 0.849 -6.097 1.00 51.31 C ATOM 595 CD1 TRP A 35 12.363 0.045 -6.977 1.00 23.21 C ATOM 596 CD2 TRP A 35 12.133 0.440 -4.783 1.00 72.42 C ATOM 597 NE1 TRP A 35 13.189 -0.811 -6.301 1.00 21.21 N ATOM 598 CE2 TRP A 35 13.065 -0.594 -4.957 1.00 42.12 C ATOM 599 CE3 TRP A 35 11.830 0.859 -3.478 1.00 23.20 C ATOM 600 CZ2 TRP A 35 13.698 -1.218 -3.882 1.00 32.32 C ATOM 601 CZ3 TRP A 35 12.453 0.238 -2.412 1.00 1.45 C ATOM 602 CH2 TRP A 35 13.379 -0.792 -2.620 1.00 50.22 C ATOM 0 H TRP A 35 9.781 0.580 -4.588 1.00 53.40 H new ATOM 0 HA TRP A 35 8.542 2.312 -6.508 1.00 64.31 H new ATOM 0 HB2 TRP A 35 10.900 2.339 -7.413 1.00 41.42 H new ATOM 0 HB3 TRP A 35 10.789 2.751 -5.713 1.00 41.42 H new ATOM 0 HD1 TRP A 35 12.256 0.081 -8.051 1.00 23.21 H new ATOM 0 HE1 TRP A 35 13.802 -1.503 -6.732 1.00 21.21 H new ATOM 0 HE3 TRP A 35 11.120 1.655 -3.309 1.00 23.20 H new ATOM 0 HZ2 TRP A 35 14.415 -2.010 -4.039 1.00 32.32 H new ATOM 0 HZ3 TRP A 35 12.223 0.551 -1.404 1.00 1.45 H new ATOM 0 HH2 TRP A 35 13.851 -1.260 -1.768 1.00 50.22 H new ATOM 613 N LYS A 36 8.845 -0.797 -7.287 1.00 2.30 N ATOM 614 CA LYS A 36 8.542 -1.836 -8.264 1.00 13.54 C ATOM 615 C LYS A 36 7.053 -1.764 -8.654 1.00 24.22 C ATOM 616 O LYS A 36 6.185 -2.166 -7.878 1.00 22.42 O ATOM 617 CB LYS A 36 8.883 -3.221 -7.662 1.00 3.30 C ATOM 618 CG LYS A 36 10.348 -3.359 -7.193 1.00 75.13 C ATOM 619 CD LYS A 36 10.612 -4.702 -6.468 1.00 13.33 C ATOM 620 CE LYS A 36 12.049 -4.830 -5.942 1.00 12.41 C ATOM 621 NZ LYS A 36 12.252 -6.108 -5.200 1.00 34.53 N ATOM 0 H LYS A 36 8.997 -1.158 -6.345 1.00 2.30 H new ATOM 0 HA LYS A 36 9.142 -1.685 -9.162 1.00 13.54 H new ATOM 0 HB2 LYS A 36 8.222 -3.411 -6.816 1.00 3.30 H new ATOM 0 HB3 LYS A 36 8.677 -3.990 -8.406 1.00 3.30 H new ATOM 0 HG2 LYS A 36 11.011 -3.278 -8.054 1.00 75.13 H new ATOM 0 HG3 LYS A 36 10.592 -2.534 -6.524 1.00 75.13 H new ATOM 0 HD2 LYS A 36 9.916 -4.801 -5.635 1.00 13.33 H new ATOM 0 HD3 LYS A 36 10.408 -5.524 -7.154 1.00 13.33 H new ATOM 0 HE2 LYS A 36 12.748 -4.779 -6.777 1.00 12.41 H new ATOM 0 HE3 LYS A 36 12.273 -3.989 -5.286 1.00 12.41 H new ATOM 0 HZ1 LYS A 36 13.233 -6.160 -4.860 1.00 34.53 H new ATOM 0 HZ2 LYS A 36 11.602 -6.146 -4.389 1.00 34.53 H new ATOM 0 HZ3 LYS A 36 12.062 -6.911 -5.833 1.00 34.53 H new ATOM 635 N TYR A 37 6.774 -1.198 -9.826 1.00 70.31 N ATOM 636 CA TYR A 37 5.417 -1.175 -10.412 1.00 40.42 C ATOM 637 C TYR A 37 5.252 -2.313 -11.424 1.00 14.32 C ATOM 638 O TYR A 37 6.241 -2.888 -11.876 1.00 70.41 O ATOM 639 CB TYR A 37 5.104 0.209 -11.040 1.00 13.31 C ATOM 640 CG TYR A 37 6.237 0.840 -11.873 1.00 51.34 C ATOM 641 CD1 TYR A 37 6.464 0.484 -13.195 1.00 2.33 C ATOM 642 CD2 TYR A 37 7.073 1.815 -11.323 1.00 4.13 C ATOM 643 CE1 TYR A 37 7.477 1.072 -13.931 1.00 52.53 C ATOM 644 CE2 TYR A 37 8.079 2.406 -12.051 1.00 73.32 C ATOM 645 CZ TYR A 37 8.279 2.036 -13.354 1.00 42.02 C ATOM 646 OH TYR A 37 9.291 2.620 -14.085 1.00 14.13 O ATOM 0 H TYR A 37 7.477 -0.739 -10.405 1.00 70.31 H new ATOM 0 HA TYR A 37 4.691 -1.334 -9.614 1.00 40.42 H new ATOM 0 HB2 TYR A 37 4.224 0.108 -11.676 1.00 13.31 H new ATOM 0 HB3 TYR A 37 4.840 0.899 -10.239 1.00 13.31 H new ATOM 0 HD1 TYR A 37 5.839 -0.265 -13.657 1.00 2.33 H new ATOM 0 HD2 TYR A 37 6.925 2.113 -10.296 1.00 4.13 H new ATOM 0 HE1 TYR A 37 7.640 0.777 -14.957 1.00 52.53 H new ATOM 0 HE2 TYR A 37 8.708 3.158 -11.597 1.00 73.32 H new ATOM 0 HH TYR A 37 9.758 3.278 -13.529 1.00 14.13 H new ATOM 656 N LEU A 38 3.990 -2.610 -11.776 1.00 75.24 N ATOM 657 CA LEU A 38 3.633 -3.763 -12.630 1.00 63.35 C ATOM 658 C LEU A 38 4.248 -3.663 -14.053 1.00 41.25 C ATOM 659 O LEU A 38 4.466 -4.689 -14.704 1.00 1.45 O ATOM 660 CB LEU A 38 2.079 -3.918 -12.683 1.00 44.02 C ATOM 661 CG LEU A 38 1.517 -5.178 -13.436 1.00 12.22 C ATOM 662 CD1 LEU A 38 2.023 -6.501 -12.815 1.00 3.24 C ATOM 663 CD2 LEU A 38 -0.027 -5.150 -13.484 1.00 64.44 C ATOM 0 H LEU A 38 3.185 -2.059 -11.478 1.00 75.24 H new ATOM 0 HA LEU A 38 4.063 -4.659 -12.182 1.00 63.35 H new ATOM 0 HB2 LEU A 38 1.705 -3.939 -11.659 1.00 44.02 H new ATOM 0 HB3 LEU A 38 1.665 -3.027 -13.155 1.00 44.02 H new ATOM 0 HG LEU A 38 1.895 -5.135 -14.457 1.00 12.22 H new ATOM 0 HD11 LEU A 38 1.609 -7.344 -13.368 1.00 3.24 H new ATOM 0 HD12 LEU A 38 3.111 -6.534 -12.865 1.00 3.24 H new ATOM 0 HD13 LEU A 38 1.706 -6.559 -11.774 1.00 3.24 H new ATOM 0 HD21 LEU A 38 -0.391 -6.033 -14.010 1.00 64.44 H new ATOM 0 HD22 LEU A 38 -0.423 -5.144 -12.468 1.00 64.44 H new ATOM 0 HD23 LEU A 38 -0.359 -4.253 -14.007 1.00 64.44 H new ATOM 675 N GLU A 39 4.574 -2.428 -14.500 1.00 75.22 N ATOM 676 CA GLU A 39 5.137 -2.186 -15.850 1.00 45.10 C ATOM 677 C GLU A 39 6.603 -2.669 -15.965 1.00 33.04 C ATOM 678 O GLU A 39 7.156 -2.696 -17.073 1.00 15.00 O ATOM 679 CB GLU A 39 5.049 -0.681 -16.233 1.00 15.12 C ATOM 680 CG GLU A 39 3.673 -0.026 -16.020 1.00 65.11 C ATOM 681 CD GLU A 39 2.537 -0.731 -16.778 1.00 4.14 C ATOM 682 OE1 GLU A 39 2.369 -0.476 -17.989 1.00 71.41 O ATOM 683 OE2 GLU A 39 1.817 -1.557 -16.169 1.00 75.24 O ATOM 0 H GLU A 39 4.456 -1.581 -13.944 1.00 75.22 H new ATOM 0 HA GLU A 39 4.534 -2.768 -16.547 1.00 45.10 H new ATOM 0 HB2 GLU A 39 5.788 -0.131 -15.651 1.00 15.12 H new ATOM 0 HB3 GLU A 39 5.325 -0.574 -17.282 1.00 15.12 H new ATOM 0 HG2 GLU A 39 3.442 -0.023 -14.955 1.00 65.11 H new ATOM 0 HG3 GLU A 39 3.721 1.015 -16.339 1.00 65.11 H new ATOM 690 N GLN A 40 7.225 -3.024 -14.821 1.00 42.35 N ATOM 691 CA GLN A 40 8.565 -3.639 -14.792 1.00 45.33 C ATOM 692 C GLN A 40 8.522 -5.017 -15.482 1.00 1.34 C ATOM 693 O GLN A 40 7.675 -5.849 -15.143 1.00 71.01 O ATOM 694 CB GLN A 40 9.068 -3.813 -13.326 1.00 22.55 C ATOM 695 CG GLN A 40 9.347 -2.505 -12.562 1.00 53.23 C ATOM 696 CD GLN A 40 10.481 -1.673 -13.174 1.00 62.20 C ATOM 697 OE1 GLN A 40 11.415 -2.204 -13.784 1.00 74.04 O ATOM 698 NE2 GLN A 40 10.424 -0.367 -13.007 1.00 64.04 N ATOM 0 H GLN A 40 6.813 -2.892 -13.897 1.00 42.35 H new ATOM 0 HA GLN A 40 9.253 -2.980 -15.322 1.00 45.33 H new ATOM 0 HB2 GLN A 40 8.325 -4.386 -12.771 1.00 22.55 H new ATOM 0 HB3 GLN A 40 9.982 -4.406 -13.342 1.00 22.55 H new ATOM 0 HG2 GLN A 40 8.437 -1.905 -12.539 1.00 53.23 H new ATOM 0 HG3 GLN A 40 9.598 -2.743 -11.528 1.00 53.23 H new ATOM 0 HE21 GLN A 40 9.643 0.049 -12.500 1.00 64.04 H new ATOM 0 HE22 GLN A 40 11.161 0.228 -13.385 1.00 64.04 H new ATOM 707 N ALA A 41 9.423 -5.236 -16.456 1.00 33.05 N ATOM 708 CA ALA A 41 9.580 -6.542 -17.139 1.00 24.33 C ATOM 709 C ALA A 41 10.123 -7.600 -16.159 1.00 22.21 C ATOM 710 O ALA A 41 9.803 -8.787 -16.262 1.00 25.21 O ATOM 711 CB ALA A 41 10.506 -6.398 -18.366 1.00 70.10 C ATOM 0 H ALA A 41 10.063 -4.518 -16.794 1.00 33.05 H new ATOM 0 HA ALA A 41 8.602 -6.875 -17.488 1.00 24.33 H new ATOM 0 HB1 ALA A 41 10.612 -7.365 -18.857 1.00 70.10 H new ATOM 0 HB2 ALA A 41 10.075 -5.681 -19.065 1.00 70.10 H new ATOM 0 HB3 ALA A 41 11.486 -6.046 -18.043 1.00 70.10 H new ATOM 717 N SER A 42 10.940 -7.135 -15.192 1.00 12.21 N ATOM 718 CA SER A 42 11.541 -7.985 -14.147 1.00 74.34 C ATOM 719 C SER A 42 10.726 -7.898 -12.830 1.00 55.03 C ATOM 720 O SER A 42 11.265 -8.095 -11.734 1.00 64.34 O ATOM 721 CB SER A 42 13.024 -7.560 -13.937 1.00 45.11 C ATOM 722 OG SER A 42 13.726 -8.485 -13.119 1.00 31.23 O ATOM 0 H SER A 42 11.202 -6.152 -15.115 1.00 12.21 H new ATOM 0 HA SER A 42 11.518 -9.028 -14.464 1.00 74.34 H new ATOM 0 HB2 SER A 42 13.520 -7.481 -14.904 1.00 45.11 H new ATOM 0 HB3 SER A 42 13.058 -6.571 -13.479 1.00 45.11 H new ATOM 0 HG SER A 42 13.192 -8.688 -12.323 1.00 31.23 H new ATOM 728 N PHE A 43 9.409 -7.627 -12.953 1.00 40.13 N ATOM 729 CA PHE A 43 8.478 -7.625 -11.810 1.00 20.12 C ATOM 730 C PHE A 43 8.206 -9.092 -11.375 1.00 14.25 C ATOM 731 O PHE A 43 7.878 -9.926 -12.231 1.00 51.42 O ATOM 732 CB PHE A 43 7.159 -6.890 -12.199 1.00 63.01 C ATOM 733 CG PHE A 43 6.279 -6.516 -11.014 1.00 73.15 C ATOM 734 CD1 PHE A 43 6.696 -5.546 -10.108 1.00 14.14 C ATOM 735 CD2 PHE A 43 5.048 -7.128 -10.795 1.00 4.20 C ATOM 736 CE1 PHE A 43 5.913 -5.205 -9.031 1.00 13.34 C ATOM 737 CE2 PHE A 43 4.266 -6.783 -9.718 1.00 24.02 C ATOM 738 CZ PHE A 43 4.699 -5.821 -8.834 1.00 52.11 C ATOM 0 H PHE A 43 8.965 -7.405 -13.844 1.00 40.13 H new ATOM 0 HA PHE A 43 8.918 -7.090 -10.969 1.00 20.12 H new ATOM 0 HB2 PHE A 43 7.410 -5.984 -12.750 1.00 63.01 H new ATOM 0 HB3 PHE A 43 6.588 -7.526 -12.875 1.00 63.01 H new ATOM 0 HD1 PHE A 43 7.647 -5.055 -10.253 1.00 14.14 H new ATOM 0 HD2 PHE A 43 4.702 -7.886 -11.482 1.00 4.20 H new ATOM 0 HE1 PHE A 43 6.252 -4.450 -8.337 1.00 13.34 H new ATOM 0 HE2 PHE A 43 3.312 -7.267 -9.566 1.00 24.02 H new ATOM 0 HZ PHE A 43 4.086 -5.550 -7.987 1.00 52.11 H new ATOM 748 N PRO A 44 8.338 -9.426 -10.045 1.00 12.20 N ATOM 749 CA PRO A 44 8.287 -10.836 -9.542 1.00 13.31 C ATOM 750 C PRO A 44 6.905 -11.514 -9.685 1.00 13.31 C ATOM 751 O PRO A 44 6.798 -12.732 -9.524 1.00 61.43 O ATOM 752 CB PRO A 44 8.675 -10.686 -8.046 1.00 45.44 C ATOM 753 CG PRO A 44 8.243 -9.299 -7.692 1.00 1.32 C ATOM 754 CD PRO A 44 8.553 -8.469 -8.916 1.00 43.13 C ATOM 0 HA PRO A 44 8.946 -11.484 -10.120 1.00 13.31 H new ATOM 0 HB2 PRO A 44 8.172 -11.430 -7.428 1.00 45.44 H new ATOM 0 HB3 PRO A 44 9.747 -10.820 -7.897 1.00 45.44 H new ATOM 0 HG2 PRO A 44 7.180 -9.266 -7.451 1.00 1.32 H new ATOM 0 HG3 PRO A 44 8.779 -8.929 -6.818 1.00 1.32 H new ATOM 0 HD2 PRO A 44 7.895 -7.603 -8.992 1.00 43.13 H new ATOM 0 HD3 PRO A 44 9.575 -8.092 -8.898 1.00 43.13 H new ATOM 762 N MET A 45 5.858 -10.713 -9.963 1.00 64.23 N ATOM 763 CA MET A 45 4.466 -11.200 -10.094 1.00 41.20 C ATOM 764 C MET A 45 3.888 -10.809 -11.461 1.00 35.54 C ATOM 765 O MET A 45 4.360 -9.872 -12.104 1.00 75.53 O ATOM 766 CB MET A 45 3.584 -10.616 -8.955 1.00 4.32 C ATOM 767 CG MET A 45 3.937 -11.119 -7.549 1.00 0.53 C ATOM 768 SD MET A 45 2.910 -10.379 -6.260 1.00 65.04 S ATOM 769 CE MET A 45 3.368 -8.655 -6.402 1.00 52.23 C ATOM 0 H MET A 45 5.951 -9.707 -10.104 1.00 64.23 H new ATOM 0 HA MET A 45 4.470 -12.287 -10.015 1.00 41.20 H new ATOM 0 HB2 MET A 45 3.669 -9.529 -8.969 1.00 4.32 H new ATOM 0 HB3 MET A 45 2.541 -10.857 -9.161 1.00 4.32 H new ATOM 0 HG2 MET A 45 3.826 -12.203 -7.518 1.00 0.53 H new ATOM 0 HG3 MET A 45 4.985 -10.900 -7.342 1.00 0.53 H new ATOM 0 HE1 MET A 45 2.869 -8.080 -5.622 1.00 52.23 H new ATOM 0 HE2 MET A 45 4.448 -8.555 -6.291 1.00 52.23 H new ATOM 0 HE3 MET A 45 3.067 -8.278 -7.379 1.00 52.23 H new ATOM 779 N ASN A 46 2.860 -11.544 -11.894 1.00 14.34 N ATOM 780 CA ASN A 46 2.070 -11.201 -13.098 1.00 63.43 C ATOM 781 C ASN A 46 0.771 -10.523 -12.657 1.00 2.33 C ATOM 782 O ASN A 46 0.484 -10.457 -11.460 1.00 22.54 O ATOM 783 CB ASN A 46 1.770 -12.452 -13.961 1.00 11.43 C ATOM 784 CG ASN A 46 3.030 -13.091 -14.533 1.00 61.35 C ATOM 785 OD1 ASN A 46 3.545 -12.652 -15.562 1.00 71.31 O ATOM 786 ND2 ASN A 46 3.525 -14.136 -13.887 1.00 31.31 N ATOM 0 H ASN A 46 2.546 -12.394 -11.426 1.00 14.34 H new ATOM 0 HA ASN A 46 2.651 -10.520 -13.720 1.00 63.43 H new ATOM 0 HB2 ASN A 46 1.238 -13.186 -13.356 1.00 11.43 H new ATOM 0 HB3 ASN A 46 1.106 -12.173 -14.779 1.00 11.43 H new ATOM 0 HD21 ASN A 46 4.360 -14.605 -14.239 1.00 31.31 H new ATOM 0 HD22 ASN A 46 3.072 -14.472 -13.037 1.00 31.31 H new ATOM 793 N GLU A 47 -0.021 -10.077 -13.640 1.00 62.54 N ATOM 794 CA GLU A 47 -1.206 -9.215 -13.429 1.00 42.24 C ATOM 795 C GLU A 47 -2.227 -9.820 -12.436 1.00 0.30 C ATOM 796 O GLU A 47 -2.722 -9.112 -11.555 1.00 1.34 O ATOM 797 CB GLU A 47 -1.881 -8.940 -14.796 1.00 45.44 C ATOM 798 CG GLU A 47 -0.923 -8.371 -15.868 1.00 62.41 C ATOM 799 CD GLU A 47 -1.611 -8.166 -17.219 1.00 13.43 C ATOM 800 OE1 GLU A 47 -1.749 -9.145 -17.977 1.00 14.12 O ATOM 801 OE2 GLU A 47 -2.049 -7.036 -17.515 1.00 4.32 O ATOM 0 H GLU A 47 0.140 -10.304 -14.621 1.00 62.54 H new ATOM 0 HA GLU A 47 -0.861 -8.284 -12.980 1.00 42.24 H new ATOM 0 HB2 GLU A 47 -2.316 -9.868 -15.168 1.00 45.44 H new ATOM 0 HB3 GLU A 47 -2.703 -8.239 -14.649 1.00 45.44 H new ATOM 0 HG2 GLU A 47 -0.519 -7.420 -15.522 1.00 62.41 H new ATOM 0 HG3 GLU A 47 -0.079 -9.049 -15.993 1.00 62.41 H new ATOM 808 N THR A 48 -2.501 -11.135 -12.584 1.00 41.42 N ATOM 809 CA THR A 48 -3.502 -11.855 -11.779 1.00 42.23 C ATOM 810 C THR A 48 -3.110 -11.878 -10.282 1.00 22.41 C ATOM 811 O THR A 48 -3.806 -11.290 -9.444 1.00 34.14 O ATOM 812 CB THR A 48 -3.692 -13.318 -12.309 1.00 62.54 C ATOM 813 OG1 THR A 48 -3.975 -13.301 -13.723 1.00 32.41 O ATOM 814 CG2 THR A 48 -4.823 -14.063 -11.563 1.00 33.14 C ATOM 0 H THR A 48 -2.030 -11.726 -13.269 1.00 41.42 H new ATOM 0 HA THR A 48 -4.447 -11.320 -11.875 1.00 42.23 H new ATOM 0 HB THR A 48 -2.760 -13.853 -12.124 1.00 62.54 H new ATOM 0 HG1 THR A 48 -4.090 -14.220 -14.045 1.00 32.41 H new ATOM 0 HG21 THR A 48 -4.919 -15.072 -11.963 1.00 33.14 H new ATOM 0 HG22 THR A 48 -4.585 -14.115 -10.500 1.00 33.14 H new ATOM 0 HG23 THR A 48 -5.763 -13.528 -11.699 1.00 33.14 H new ATOM 822 N GLU A 49 -1.951 -12.502 -9.977 1.00 72.30 N ATOM 823 CA GLU A 49 -1.475 -12.688 -8.592 1.00 4.24 C ATOM 824 C GLU A 49 -1.118 -11.349 -7.928 1.00 54.12 C ATOM 825 O GLU A 49 -1.212 -11.223 -6.706 1.00 42.41 O ATOM 826 CB GLU A 49 -0.259 -13.656 -8.535 1.00 41.34 C ATOM 827 CG GLU A 49 0.970 -13.259 -9.387 1.00 74.24 C ATOM 828 CD GLU A 49 1.078 -14.008 -10.726 1.00 4.53 C ATOM 829 OE1 GLU A 49 0.079 -14.078 -11.471 1.00 32.43 O ATOM 830 OE2 GLU A 49 2.180 -14.508 -11.054 1.00 62.53 O ATOM 0 H GLU A 49 -1.323 -12.889 -10.682 1.00 72.30 H new ATOM 0 HA GLU A 49 -2.298 -13.134 -8.034 1.00 4.24 H new ATOM 0 HB2 GLU A 49 0.059 -13.746 -7.496 1.00 41.34 H new ATOM 0 HB3 GLU A 49 -0.592 -14.644 -8.853 1.00 41.34 H new ATOM 0 HG2 GLU A 49 0.930 -12.188 -9.585 1.00 74.24 H new ATOM 0 HG3 GLU A 49 1.875 -13.442 -8.807 1.00 74.24 H new ATOM 837 N TYR A 50 -0.723 -10.355 -8.752 1.00 63.44 N ATOM 838 CA TYR A 50 -0.426 -8.996 -8.283 1.00 71.22 C ATOM 839 C TYR A 50 -1.715 -8.277 -7.834 1.00 23.02 C ATOM 840 O TYR A 50 -1.720 -7.599 -6.803 1.00 62.22 O ATOM 841 CB TYR A 50 0.314 -8.179 -9.381 1.00 73.30 C ATOM 842 CG TYR A 50 0.354 -6.673 -9.098 1.00 73.53 C ATOM 843 CD1 TYR A 50 1.095 -6.162 -8.026 1.00 35.12 C ATOM 844 CD2 TYR A 50 -0.407 -5.775 -9.851 1.00 23.54 C ATOM 845 CE1 TYR A 50 1.065 -4.826 -7.716 1.00 44.01 C ATOM 846 CE2 TYR A 50 -0.421 -4.435 -9.553 1.00 31.44 C ATOM 847 CZ TYR A 50 0.310 -3.969 -8.483 1.00 60.30 C ATOM 848 OH TYR A 50 0.236 -2.648 -8.143 1.00 1.24 O ATOM 0 H TYR A 50 -0.603 -10.477 -9.757 1.00 63.44 H new ATOM 0 HA TYR A 50 0.235 -9.073 -7.420 1.00 71.22 H new ATOM 0 HB2 TYR A 50 1.334 -8.551 -9.474 1.00 73.30 H new ATOM 0 HB3 TYR A 50 -0.175 -8.348 -10.340 1.00 73.30 H new ATOM 0 HD1 TYR A 50 1.701 -6.831 -7.433 1.00 35.12 H new ATOM 0 HD2 TYR A 50 -0.994 -6.141 -10.681 1.00 23.54 H new ATOM 0 HE1 TYR A 50 1.630 -4.450 -6.876 1.00 44.01 H new ATOM 0 HE2 TYR A 50 -1.002 -3.751 -10.154 1.00 31.44 H new ATOM 0 HH TYR A 50 0.683 -2.506 -7.282 1.00 1.24 H new ATOM 858 N GLN A 51 -2.794 -8.423 -8.624 1.00 1.51 N ATOM 859 CA GLN A 51 -4.086 -7.749 -8.348 1.00 5.12 C ATOM 860 C GLN A 51 -4.689 -8.332 -7.053 1.00 52.14 C ATOM 861 O GLN A 51 -5.190 -7.600 -6.194 1.00 64.42 O ATOM 862 CB GLN A 51 -5.066 -7.909 -9.562 1.00 61.01 C ATOM 863 CG GLN A 51 -6.007 -6.697 -9.822 1.00 2.43 C ATOM 864 CD GLN A 51 -7.035 -6.403 -8.708 1.00 23.50 C ATOM 865 OE1 GLN A 51 -7.526 -7.305 -8.023 1.00 25.30 O ATOM 866 NE2 GLN A 51 -7.387 -5.138 -8.531 1.00 61.23 N ATOM 0 H GLN A 51 -2.801 -9.003 -9.463 1.00 1.51 H new ATOM 0 HA GLN A 51 -3.921 -6.681 -8.210 1.00 5.12 H new ATOM 0 HB2 GLN A 51 -4.477 -8.090 -10.461 1.00 61.01 H new ATOM 0 HB3 GLN A 51 -5.679 -8.795 -9.398 1.00 61.01 H new ATOM 0 HG2 GLN A 51 -5.394 -5.808 -9.970 1.00 2.43 H new ATOM 0 HG3 GLN A 51 -6.546 -6.871 -10.753 1.00 2.43 H new ATOM 0 HE21 GLN A 51 -6.970 -4.407 -9.107 1.00 61.23 H new ATOM 0 HE22 GLN A 51 -8.075 -4.895 -7.818 1.00 61.23 H new ATOM 875 N GLU A 52 -4.586 -9.668 -6.927 1.00 10.03 N ATOM 876 CA GLU A 52 -5.047 -10.416 -5.748 1.00 34.03 C ATOM 877 C GLU A 52 -4.137 -10.153 -4.526 1.00 60.33 C ATOM 878 O GLU A 52 -4.584 -10.280 -3.388 1.00 60.00 O ATOM 879 CB GLU A 52 -5.122 -11.928 -6.077 1.00 70.34 C ATOM 880 CG GLU A 52 -6.037 -12.260 -7.279 1.00 0.52 C ATOM 881 CD GLU A 52 -6.107 -13.758 -7.603 1.00 71.11 C ATOM 882 OE1 GLU A 52 -5.094 -14.317 -8.069 1.00 60.32 O ATOM 883 OE2 GLU A 52 -7.172 -14.390 -7.395 1.00 22.24 O ATOM 0 H GLU A 52 -4.177 -10.262 -7.648 1.00 10.03 H new ATOM 0 HA GLU A 52 -6.046 -10.068 -5.486 1.00 34.03 H new ATOM 0 HB2 GLU A 52 -4.117 -12.295 -6.285 1.00 70.34 H new ATOM 0 HB3 GLU A 52 -5.482 -12.464 -5.199 1.00 70.34 H new ATOM 0 HG2 GLU A 52 -7.043 -11.895 -7.071 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -5.678 -11.723 -8.157 1.00 0.52 H new ATOM 890 N HIS A 53 -2.861 -9.787 -4.790 1.00 5.41 N ATOM 891 CA HIS A 53 -1.912 -9.321 -3.752 1.00 22.03 C ATOM 892 C HIS A 53 -2.382 -7.972 -3.177 1.00 21.24 C ATOM 893 O HIS A 53 -2.345 -7.770 -1.964 1.00 41.53 O ATOM 894 CB HIS A 53 -0.468 -9.201 -4.338 1.00 64.21 C ATOM 895 CG HIS A 53 0.522 -8.470 -3.466 1.00 61.44 C ATOM 896 ND1 HIS A 53 1.199 -9.063 -2.426 1.00 12.42 N ATOM 897 CD2 HIS A 53 0.946 -7.184 -3.499 1.00 52.33 C ATOM 898 CE1 HIS A 53 1.996 -8.173 -1.861 1.00 43.31 C ATOM 899 NE2 HIS A 53 1.860 -7.029 -2.496 1.00 4.24 N ATOM 0 H HIS A 53 -2.461 -9.806 -5.728 1.00 5.41 H new ATOM 0 HA HIS A 53 -1.887 -10.054 -2.946 1.00 22.03 H new ATOM 0 HB2 HIS A 53 -0.087 -10.204 -4.530 1.00 64.21 H new ATOM 0 HB3 HIS A 53 -0.525 -8.692 -5.300 1.00 64.21 H new ATOM 0 HD2 HIS A 53 0.621 -6.421 -4.191 1.00 52.33 H new ATOM 0 HE1 HIS A 53 2.649 -8.354 -1.020 1.00 43.31 H new ATOM 0 HE2 HIS A 53 2.357 -6.166 -2.275 1.00 4.24 H new ATOM 908 N LEU A 54 -2.817 -7.057 -4.071 1.00 50.23 N ATOM 909 CA LEU A 54 -3.371 -5.743 -3.675 1.00 61.34 C ATOM 910 C LEU A 54 -4.656 -5.934 -2.864 1.00 72.33 C ATOM 911 O LEU A 54 -4.902 -5.225 -1.900 1.00 13.10 O ATOM 912 CB LEU A 54 -3.694 -4.878 -4.918 1.00 74.33 C ATOM 913 CG LEU A 54 -2.501 -4.537 -5.847 1.00 33.44 C ATOM 914 CD1 LEU A 54 -2.993 -3.793 -7.095 1.00 75.42 C ATOM 915 CD2 LEU A 54 -1.421 -3.728 -5.101 1.00 74.44 C ATOM 0 H LEU A 54 -2.795 -7.206 -5.080 1.00 50.23 H new ATOM 0 HA LEU A 54 -2.619 -5.236 -3.071 1.00 61.34 H new ATOM 0 HB2 LEU A 54 -4.450 -5.396 -5.508 1.00 74.33 H new ATOM 0 HB3 LEU A 54 -4.141 -3.944 -4.578 1.00 74.33 H new ATOM 0 HG LEU A 54 -2.040 -5.472 -6.166 1.00 33.44 H new ATOM 0 HD11 LEU A 54 -2.144 -3.560 -7.738 1.00 75.42 H new ATOM 0 HD12 LEU A 54 -3.698 -4.421 -7.639 1.00 75.42 H new ATOM 0 HD13 LEU A 54 -3.486 -2.868 -6.796 1.00 75.42 H new ATOM 0 HD21 LEU A 54 -0.599 -3.505 -5.781 1.00 74.44 H new ATOM 0 HD22 LEU A 54 -1.852 -2.796 -4.736 1.00 74.44 H new ATOM 0 HD23 LEU A 54 -1.048 -4.310 -4.258 1.00 74.44 H new ATOM 927 N ASP A 55 -5.462 -6.913 -3.298 1.00 22.22 N ATOM 928 CA ASP A 55 -6.735 -7.270 -2.657 1.00 65.23 C ATOM 929 C ASP A 55 -6.494 -7.913 -1.279 1.00 0.11 C ATOM 930 O ASP A 55 -7.289 -7.727 -0.353 1.00 22.41 O ATOM 931 CB ASP A 55 -7.536 -8.218 -3.582 1.00 24.44 C ATOM 932 CG ASP A 55 -8.955 -8.487 -3.063 1.00 45.33 C ATOM 933 OD1 ASP A 55 -9.846 -7.638 -3.300 1.00 30.21 O ATOM 934 OD2 ASP A 55 -9.194 -9.547 -2.434 1.00 11.21 O ATOM 0 H ASP A 55 -5.246 -7.486 -4.114 1.00 22.22 H new ATOM 0 HA ASP A 55 -7.318 -6.363 -2.497 1.00 65.23 H new ATOM 0 HB2 ASP A 55 -7.594 -7.783 -4.580 1.00 24.44 H new ATOM 0 HB3 ASP A 55 -7.002 -9.164 -3.677 1.00 24.44 H new ATOM 939 N SER A 56 -5.373 -8.654 -1.168 1.00 63.12 N ATOM 940 CA SER A 56 -4.919 -9.264 0.092 1.00 23.12 C ATOM 941 C SER A 56 -4.494 -8.179 1.097 1.00 33.41 C ATOM 942 O SER A 56 -4.813 -8.266 2.288 1.00 11.04 O ATOM 943 CB SER A 56 -3.753 -10.247 -0.188 1.00 34.33 C ATOM 944 OG SER A 56 -3.306 -10.887 0.997 1.00 21.12 O ATOM 0 H SER A 56 -4.755 -8.845 -1.957 1.00 63.12 H new ATOM 0 HA SER A 56 -5.745 -9.822 0.533 1.00 23.12 H new ATOM 0 HB2 SER A 56 -4.077 -10.999 -0.907 1.00 34.33 H new ATOM 0 HB3 SER A 56 -2.924 -9.706 -0.644 1.00 34.33 H new ATOM 0 HG SER A 56 -2.572 -11.500 0.781 1.00 21.12 H new ATOM 950 N VAL A 57 -3.786 -7.160 0.587 1.00 63.24 N ATOM 951 CA VAL A 57 -3.335 -6.016 1.380 1.00 51.15 C ATOM 952 C VAL A 57 -4.541 -5.188 1.859 1.00 13.23 C ATOM 953 O VAL A 57 -4.693 -4.936 3.058 1.00 52.32 O ATOM 954 CB VAL A 57 -2.336 -5.127 0.550 1.00 55.14 C ATOM 955 CG1 VAL A 57 -2.051 -3.781 1.243 1.00 0.54 C ATOM 956 CG2 VAL A 57 -1.017 -5.886 0.279 1.00 1.34 C ATOM 0 H VAL A 57 -3.511 -7.110 -0.394 1.00 63.24 H new ATOM 0 HA VAL A 57 -2.806 -6.387 2.258 1.00 51.15 H new ATOM 0 HB VAL A 57 -2.816 -4.910 -0.404 1.00 55.14 H new ATOM 0 HG11 VAL A 57 -1.357 -3.199 0.636 1.00 0.54 H new ATOM 0 HG12 VAL A 57 -2.983 -3.228 1.360 1.00 0.54 H new ATOM 0 HG13 VAL A 57 -1.611 -3.963 2.224 1.00 0.54 H new ATOM 0 HG21 VAL A 57 -0.343 -5.251 -0.296 1.00 1.34 H new ATOM 0 HG22 VAL A 57 -0.547 -6.149 1.227 1.00 1.34 H new ATOM 0 HG23 VAL A 57 -1.229 -6.794 -0.285 1.00 1.34 H new ATOM 966 N ALA A 58 -5.416 -4.842 0.903 1.00 34.32 N ATOM 967 CA ALA A 58 -6.613 -4.021 1.132 1.00 40.43 C ATOM 968 C ALA A 58 -7.606 -4.702 2.095 1.00 0.24 C ATOM 969 O ALA A 58 -8.382 -4.021 2.777 1.00 44.53 O ATOM 970 CB ALA A 58 -7.279 -3.710 -0.207 1.00 2.42 C ATOM 0 H ALA A 58 -5.309 -5.131 -0.069 1.00 34.32 H new ATOM 0 HA ALA A 58 -6.303 -3.091 1.608 1.00 40.43 H new ATOM 0 HB1 ALA A 58 -8.167 -3.101 -0.039 1.00 2.42 H new ATOM 0 HB2 ALA A 58 -6.581 -3.166 -0.843 1.00 2.42 H new ATOM 0 HB3 ALA A 58 -7.565 -4.641 -0.696 1.00 2.42 H new ATOM 976 N ASN A 59 -7.551 -6.052 2.134 1.00 60.41 N ATOM 977 CA ASN A 59 -8.325 -6.882 3.075 1.00 53.41 C ATOM 978 C ASN A 59 -7.901 -6.585 4.525 1.00 45.13 C ATOM 979 O ASN A 59 -8.748 -6.356 5.386 1.00 13.35 O ATOM 980 CB ASN A 59 -8.118 -8.388 2.754 1.00 23.54 C ATOM 981 CG ASN A 59 -8.963 -9.337 3.617 1.00 73.44 C ATOM 982 OD1 ASN A 59 -10.077 -9.015 4.029 1.00 40.33 O ATOM 983 ND2 ASN A 59 -8.443 -10.520 3.888 1.00 3.11 N ATOM 0 H ASN A 59 -6.961 -6.598 1.506 1.00 60.41 H new ATOM 0 HA ASN A 59 -9.382 -6.640 2.965 1.00 53.41 H new ATOM 0 HB2 ASN A 59 -8.356 -8.560 1.704 1.00 23.54 H new ATOM 0 HB3 ASN A 59 -7.065 -8.635 2.887 1.00 23.54 H new ATOM 0 HD21 ASN A 59 -8.967 -11.191 4.450 1.00 3.11 H new ATOM 0 HD22 ASN A 59 -7.518 -10.763 3.535 1.00 3.11 H new ATOM 990 N TYR A 60 -6.574 -6.574 4.767 1.00 75.45 N ATOM 991 CA TYR A 60 -5.999 -6.274 6.099 1.00 4.12 C ATOM 992 C TYR A 60 -6.160 -4.794 6.463 1.00 65.31 C ATOM 993 O TYR A 60 -6.339 -4.462 7.633 1.00 22.24 O ATOM 994 CB TYR A 60 -4.507 -6.670 6.171 1.00 11.13 C ATOM 995 CG TYR A 60 -4.266 -8.176 6.254 1.00 62.23 C ATOM 996 CD1 TYR A 60 -4.543 -8.866 7.432 1.00 4.11 C ATOM 997 CD2 TYR A 60 -3.764 -8.900 5.172 1.00 52.23 C ATOM 998 CE1 TYR A 60 -4.330 -10.222 7.533 1.00 40.52 C ATOM 999 CE2 TYR A 60 -3.551 -10.262 5.265 1.00 33.13 C ATOM 1000 CZ TYR A 60 -3.834 -10.920 6.446 1.00 61.03 C ATOM 1001 OH TYR A 60 -3.619 -12.280 6.541 1.00 53.32 O ATOM 0 H TYR A 60 -5.874 -6.771 4.052 1.00 75.45 H new ATOM 0 HA TYR A 60 -6.555 -6.870 6.823 1.00 4.12 H new ATOM 0 HB2 TYR A 60 -3.995 -6.279 5.292 1.00 11.13 H new ATOM 0 HB3 TYR A 60 -4.057 -6.192 7.041 1.00 11.13 H new ATOM 0 HD1 TYR A 60 -4.932 -8.326 8.283 1.00 4.11 H new ATOM 0 HD2 TYR A 60 -3.539 -8.388 4.248 1.00 52.23 H new ATOM 0 HE1 TYR A 60 -4.549 -10.739 8.456 1.00 40.52 H new ATOM 0 HE2 TYR A 60 -3.165 -10.810 4.418 1.00 33.13 H new ATOM 0 HH TYR A 60 -3.270 -12.616 5.689 1.00 53.32 H new ATOM 1011 N LEU A 61 -6.095 -3.913 5.456 1.00 3.43 N ATOM 1012 CA LEU A 61 -6.322 -2.469 5.649 1.00 71.12 C ATOM 1013 C LEU A 61 -7.757 -2.221 6.157 1.00 33.12 C ATOM 1014 O LEU A 61 -7.986 -1.397 7.047 1.00 71.21 O ATOM 1015 CB LEU A 61 -6.048 -1.706 4.329 1.00 65.25 C ATOM 1016 CG LEU A 61 -4.583 -1.778 3.803 1.00 11.13 C ATOM 1017 CD1 LEU A 61 -4.419 -1.015 2.479 1.00 72.10 C ATOM 1018 CD2 LEU A 61 -3.580 -1.284 4.863 1.00 32.33 C ATOM 0 H LEU A 61 -5.886 -4.174 4.492 1.00 3.43 H new ATOM 0 HA LEU A 61 -5.630 -2.093 6.403 1.00 71.12 H new ATOM 0 HB2 LEU A 61 -6.712 -2.099 3.559 1.00 65.25 H new ATOM 0 HB3 LEU A 61 -6.312 -0.658 4.474 1.00 65.25 H new ATOM 0 HG LEU A 61 -4.361 -2.826 3.604 1.00 11.13 H new ATOM 0 HD11 LEU A 61 -3.385 -1.087 2.143 1.00 72.10 H new ATOM 0 HD12 LEU A 61 -5.076 -1.448 1.725 1.00 72.10 H new ATOM 0 HD13 LEU A 61 -4.679 0.033 2.628 1.00 72.10 H new ATOM 0 HD21 LEU A 61 -2.568 -1.348 4.464 1.00 32.33 H new ATOM 0 HD22 LEU A 61 -3.804 -0.249 5.121 1.00 32.33 H new ATOM 0 HD23 LEU A 61 -3.658 -1.906 5.755 1.00 32.33 H new ATOM 1030 N HIS A 62 -8.696 -2.995 5.599 1.00 72.23 N ATOM 1031 CA HIS A 62 -10.100 -3.015 6.033 1.00 73.54 C ATOM 1032 C HIS A 62 -10.232 -3.641 7.441 1.00 32.14 C ATOM 1033 O HIS A 62 -10.993 -3.155 8.282 1.00 20.13 O ATOM 1034 CB HIS A 62 -10.943 -3.810 5.002 1.00 12.31 C ATOM 1035 CG HIS A 62 -12.400 -3.934 5.362 1.00 15.35 C ATOM 1036 ND1 HIS A 62 -12.959 -5.092 5.860 1.00 41.30 N ATOM 1037 CD2 HIS A 62 -13.409 -3.033 5.312 1.00 64.04 C ATOM 1038 CE1 HIS A 62 -14.236 -4.898 6.100 1.00 1.04 C ATOM 1039 NE2 HIS A 62 -14.531 -3.658 5.779 1.00 24.02 N ATOM 0 H HIS A 62 -8.501 -3.631 4.826 1.00 72.23 H new ATOM 0 HA HIS A 62 -10.470 -1.991 6.089 1.00 73.54 H new ATOM 0 HB2 HIS A 62 -10.860 -3.324 4.030 1.00 12.31 H new ATOM 0 HB3 HIS A 62 -10.520 -4.809 4.896 1.00 12.31 H new ATOM 0 HD2 HIS A 62 -13.340 -2.012 4.968 1.00 64.04 H new ATOM 0 HE1 HIS A 62 -14.925 -5.631 6.493 1.00 1.04 H new ATOM 0 HE2 HIS A 62 -15.453 -3.230 5.865 1.00 24.02 H new ATOM 1048 N ALA A 63 -9.452 -4.706 7.679 1.00 2.52 N ATOM 1049 CA ALA A 63 -9.539 -5.528 8.902 1.00 33.21 C ATOM 1050 C ALA A 63 -8.930 -4.832 10.138 1.00 22.20 C ATOM 1051 O ALA A 63 -9.295 -5.150 11.274 1.00 44.42 O ATOM 1052 CB ALA A 63 -8.848 -6.879 8.652 1.00 32.40 C ATOM 0 H ALA A 63 -8.737 -5.026 7.026 1.00 2.52 H new ATOM 0 HA ALA A 63 -10.595 -5.679 9.125 1.00 33.21 H new ATOM 0 HB1 ALA A 63 -8.909 -7.491 9.552 1.00 32.40 H new ATOM 0 HB2 ALA A 63 -9.343 -7.394 7.829 1.00 32.40 H new ATOM 0 HB3 ALA A 63 -7.801 -6.711 8.398 1.00 32.40 H new ATOM 1058 N LEU A 64 -7.984 -3.906 9.912 1.00 32.34 N ATOM 1059 CA LEU A 64 -7.233 -3.231 11.000 1.00 65.25 C ATOM 1060 C LEU A 64 -7.654 -1.760 11.162 1.00 65.11 C ATOM 1061 O LEU A 64 -7.344 -1.139 12.183 1.00 2.32 O ATOM 1062 CB LEU A 64 -5.701 -3.326 10.715 1.00 64.44 C ATOM 1063 CG LEU A 64 -5.122 -4.776 10.563 1.00 31.42 C ATOM 1064 CD1 LEU A 64 -3.630 -4.762 10.160 1.00 54.23 C ATOM 1065 CD2 LEU A 64 -5.347 -5.600 11.844 1.00 22.14 C ATOM 0 H LEU A 64 -7.714 -3.601 8.977 1.00 32.34 H new ATOM 0 HA LEU A 64 -7.466 -3.740 11.936 1.00 65.25 H new ATOM 0 HB2 LEU A 64 -5.486 -2.772 9.801 1.00 64.44 H new ATOM 0 HB3 LEU A 64 -5.169 -2.826 11.524 1.00 64.44 H new ATOM 0 HG LEU A 64 -5.668 -5.259 9.753 1.00 31.42 H new ATOM 0 HD11 LEU A 64 -3.269 -5.786 10.066 1.00 54.23 H new ATOM 0 HD12 LEU A 64 -3.516 -4.248 9.206 1.00 54.23 H new ATOM 0 HD13 LEU A 64 -3.052 -4.242 10.924 1.00 54.23 H new ATOM 0 HD21 LEU A 64 -4.936 -6.600 11.710 1.00 22.14 H new ATOM 0 HD22 LEU A 64 -4.849 -5.112 12.682 1.00 22.14 H new ATOM 0 HD23 LEU A 64 -6.415 -5.671 12.048 1.00 22.14 H new ATOM 1077 N GLY A 65 -8.367 -1.216 10.155 1.00 14.51 N ATOM 1078 CA GLY A 65 -8.692 0.217 10.105 1.00 63.30 C ATOM 1079 C GLY A 65 -7.580 1.042 9.461 1.00 42.23 C ATOM 1080 O GLY A 65 -7.603 2.281 9.504 1.00 44.33 O ATOM 0 H GLY A 65 -8.728 -1.752 9.366 1.00 14.51 H new ATOM 0 HA2 GLY A 65 -9.617 0.358 9.545 1.00 63.30 H new ATOM 0 HA3 GLY A 65 -8.873 0.582 11.116 1.00 63.30 H new ATOM 1084 N GLY A 66 -6.616 0.335 8.836 1.00 44.11 N ATOM 1085 CA GLY A 66 -5.466 0.956 8.187 1.00 34.24 C ATOM 1086 C GLY A 66 -5.767 1.462 6.786 1.00 55.14 C ATOM 1087 O GLY A 66 -4.904 2.082 6.168 1.00 25.32 O ATOM 0 H GLY A 66 -6.622 -0.683 8.773 1.00 44.11 H new ATOM 0 HA2 GLY A 66 -5.118 1.788 8.799 1.00 34.24 H new ATOM 0 HA3 GLY A 66 -4.651 0.233 8.138 1.00 34.24 H new ATOM 1091 N ALA A 67 -6.995 1.203 6.285 1.00 23.12 N ATOM 1092 CA ALA A 67 -7.434 1.668 4.958 1.00 1.43 C ATOM 1093 C ALA A 67 -7.485 3.191 4.903 1.00 44.01 C ATOM 1094 O ALA A 67 -6.969 3.797 3.964 1.00 45.02 O ATOM 1095 CB ALA A 67 -8.795 1.065 4.599 1.00 54.31 C ATOM 0 H ALA A 67 -7.703 0.669 6.788 1.00 23.12 H new ATOM 0 HA ALA A 67 -6.705 1.330 4.222 1.00 1.43 H new ATOM 0 HB1 ALA A 67 -9.102 1.420 3.615 1.00 54.31 H new ATOM 0 HB2 ALA A 67 -8.719 -0.022 4.585 1.00 54.31 H new ATOM 0 HB3 ALA A 67 -9.534 1.367 5.341 1.00 54.31 H new ATOM 1101 N VAL A 68 -8.090 3.788 5.949 1.00 14.25 N ATOM 1102 CA VAL A 68 -8.189 5.249 6.105 1.00 5.02 C ATOM 1103 C VAL A 68 -6.778 5.867 6.201 1.00 13.11 C ATOM 1104 O VAL A 68 -6.539 6.949 5.686 1.00 24.32 O ATOM 1105 CB VAL A 68 -9.023 5.643 7.383 1.00 10.13 C ATOM 1106 CG1 VAL A 68 -9.224 7.173 7.481 1.00 2.21 C ATOM 1107 CG2 VAL A 68 -10.385 4.917 7.411 1.00 32.21 C ATOM 0 H VAL A 68 -8.524 3.267 6.711 1.00 14.25 H new ATOM 0 HA VAL A 68 -8.706 5.639 5.228 1.00 5.02 H new ATOM 0 HB VAL A 68 -8.448 5.322 8.252 1.00 10.13 H new ATOM 0 HG11 VAL A 68 -9.803 7.407 8.374 1.00 2.21 H new ATOM 0 HG12 VAL A 68 -8.253 7.665 7.539 1.00 2.21 H new ATOM 0 HG13 VAL A 68 -9.758 7.527 6.599 1.00 2.21 H new ATOM 0 HG21 VAL A 68 -10.935 5.211 8.305 1.00 32.21 H new ATOM 0 HG22 VAL A 68 -10.960 5.188 6.525 1.00 32.21 H new ATOM 0 HG23 VAL A 68 -10.223 3.839 7.422 1.00 32.21 H new ATOM 1117 N GLN A 69 -5.850 5.125 6.840 1.00 1.44 N ATOM 1118 CA GLN A 69 -4.452 5.559 7.029 1.00 1.33 C ATOM 1119 C GLN A 69 -3.718 5.692 5.687 1.00 44.53 C ATOM 1120 O GLN A 69 -3.045 6.688 5.452 1.00 71.12 O ATOM 1121 CB GLN A 69 -3.699 4.575 7.964 1.00 21.13 C ATOM 1122 CG GLN A 69 -4.331 4.448 9.363 1.00 41.34 C ATOM 1123 CD GLN A 69 -4.405 5.781 10.107 1.00 42.42 C ATOM 1124 OE1 GLN A 69 -5.418 5.951 10.937 1.00 4.34 O flip ATOM 1125 NE2 GLN A 69 -3.552 6.653 9.932 1.00 53.44 N flip ATOM 0 H GLN A 69 -6.050 4.208 7.239 1.00 1.44 H new ATOM 0 HA GLN A 69 -4.471 6.543 7.497 1.00 1.33 H new ATOM 0 HB2 GLN A 69 -3.672 3.591 7.496 1.00 21.13 H new ATOM 0 HB3 GLN A 69 -2.666 4.906 8.070 1.00 21.13 H new ATOM 0 HG2 GLN A 69 -5.335 4.036 9.266 1.00 41.34 H new ATOM 0 HG3 GLN A 69 -3.751 3.739 9.955 1.00 41.34 H new ATOM 0 HE21 GLN A 69 -2.782 6.490 9.284 1.00 53.44 H new ATOM 0 HE22 GLN A 69 -3.616 7.538 10.436 1.00 53.44 H new ATOM 1134 N VAL A 70 -3.894 4.686 4.816 1.00 2.25 N ATOM 1135 CA VAL A 70 -3.257 4.643 3.484 1.00 3.34 C ATOM 1136 C VAL A 70 -3.835 5.730 2.564 1.00 54.12 C ATOM 1137 O VAL A 70 -3.090 6.417 1.861 1.00 30.02 O ATOM 1138 CB VAL A 70 -3.432 3.220 2.843 1.00 60.51 C ATOM 1139 CG1 VAL A 70 -2.866 3.146 1.407 1.00 35.35 C ATOM 1140 CG2 VAL A 70 -2.771 2.157 3.738 1.00 75.24 C ATOM 0 H VAL A 70 -4.483 3.877 5.013 1.00 2.25 H new ATOM 0 HA VAL A 70 -2.192 4.840 3.606 1.00 3.34 H new ATOM 0 HB VAL A 70 -4.502 3.023 2.772 1.00 60.51 H new ATOM 0 HG11 VAL A 70 -3.012 2.142 1.010 1.00 35.35 H new ATOM 0 HG12 VAL A 70 -3.385 3.866 0.774 1.00 35.35 H new ATOM 0 HG13 VAL A 70 -1.801 3.378 1.423 1.00 35.35 H new ATOM 0 HG21 VAL A 70 -2.896 1.173 3.287 1.00 75.24 H new ATOM 0 HG22 VAL A 70 -1.708 2.377 3.840 1.00 75.24 H new ATOM 0 HG23 VAL A 70 -3.239 2.168 4.722 1.00 75.24 H new ATOM 1150 N LYS A 71 -5.174 5.885 2.618 1.00 32.11 N ATOM 1151 CA LYS A 71 -5.905 6.900 1.841 1.00 45.44 C ATOM 1152 C LYS A 71 -5.420 8.315 2.201 1.00 50.30 C ATOM 1153 O LYS A 71 -4.896 9.028 1.345 1.00 12.14 O ATOM 1154 CB LYS A 71 -7.424 6.782 2.109 1.00 1.10 C ATOM 1155 CG LYS A 71 -8.089 5.509 1.563 1.00 53.22 C ATOM 1156 CD LYS A 71 -9.577 5.370 1.964 1.00 32.33 C ATOM 1157 CE LYS A 71 -10.530 6.347 1.241 1.00 62.35 C ATOM 1158 NZ LYS A 71 -10.395 7.766 1.681 1.00 54.15 N ATOM 0 H LYS A 71 -5.777 5.307 3.204 1.00 32.11 H new ATOM 0 HA LYS A 71 -5.712 6.725 0.782 1.00 45.44 H new ATOM 0 HB2 LYS A 71 -7.591 6.827 3.185 1.00 1.10 H new ATOM 0 HB3 LYS A 71 -7.922 7.648 1.673 1.00 1.10 H new ATOM 0 HG2 LYS A 71 -8.012 5.506 0.476 1.00 53.22 H new ATOM 0 HG3 LYS A 71 -7.541 4.639 1.924 1.00 53.22 H new ATOM 0 HD2 LYS A 71 -9.901 4.349 1.761 1.00 32.33 H new ATOM 0 HD3 LYS A 71 -9.666 5.525 3.039 1.00 32.33 H new ATOM 0 HE2 LYS A 71 -10.345 6.291 0.168 1.00 62.35 H new ATOM 0 HE3 LYS A 71 -11.558 6.023 1.405 1.00 62.35 H new ATOM 0 HZ1 LYS A 71 -11.340 8.186 1.793 1.00 54.15 H new ATOM 0 HZ2 LYS A 71 -9.890 7.801 2.590 1.00 54.15 H new ATOM 0 HZ3 LYS A 71 -9.861 8.301 0.967 1.00 54.15 H new ATOM 1172 N THR A 72 -5.554 8.658 3.496 1.00 0.14 N ATOM 1173 CA THR A 72 -5.247 9.994 4.033 1.00 42.31 C ATOM 1174 C THR A 72 -3.766 10.361 3.811 1.00 45.04 C ATOM 1175 O THR A 72 -3.450 11.503 3.449 1.00 13.44 O ATOM 1176 CB THR A 72 -5.601 10.060 5.558 1.00 35.01 C ATOM 1177 OG1 THR A 72 -6.972 9.667 5.747 1.00 71.15 O ATOM 1178 CG2 THR A 72 -5.402 11.459 6.158 1.00 3.22 C ATOM 0 H THR A 72 -5.883 8.005 4.207 1.00 0.14 H new ATOM 0 HA THR A 72 -5.856 10.720 3.495 1.00 42.31 H new ATOM 0 HB THR A 72 -4.920 9.381 6.072 1.00 35.01 H new ATOM 0 HG1 THR A 72 -7.034 8.689 5.753 1.00 71.15 H new ATOM 0 HG21 THR A 72 -5.663 11.442 7.216 1.00 3.22 H new ATOM 0 HG22 THR A 72 -4.360 11.758 6.046 1.00 3.22 H new ATOM 0 HG23 THR A 72 -6.042 12.172 5.638 1.00 3.22 H new ATOM 1186 N PHE A 73 -2.878 9.363 4.004 1.00 20.12 N ATOM 1187 CA PHE A 73 -1.424 9.536 3.856 1.00 42.01 C ATOM 1188 C PHE A 73 -1.073 9.892 2.399 1.00 24.31 C ATOM 1189 O PHE A 73 -0.527 10.960 2.150 1.00 34.32 O ATOM 1190 CB PHE A 73 -0.674 8.251 4.304 1.00 31.01 C ATOM 1191 CG PHE A 73 0.848 8.374 4.344 1.00 64.44 C ATOM 1192 CD1 PHE A 73 1.494 8.827 5.493 1.00 24.13 C ATOM 1193 CD2 PHE A 73 1.631 8.032 3.242 1.00 35.55 C ATOM 1194 CE1 PHE A 73 2.868 8.937 5.534 1.00 61.05 C ATOM 1195 CE2 PHE A 73 3.003 8.145 3.290 1.00 50.14 C ATOM 1196 CZ PHE A 73 3.621 8.592 4.433 1.00 53.25 C ATOM 0 H PHE A 73 -3.152 8.416 4.267 1.00 20.12 H new ATOM 0 HA PHE A 73 -1.105 10.357 4.497 1.00 42.01 H new ATOM 0 HB2 PHE A 73 -1.027 7.969 5.296 1.00 31.01 H new ATOM 0 HB3 PHE A 73 -0.940 7.438 3.628 1.00 31.01 H new ATOM 0 HD1 PHE A 73 0.911 9.095 6.362 1.00 24.13 H new ATOM 0 HD2 PHE A 73 1.156 7.674 2.340 1.00 35.55 H new ATOM 0 HE1 PHE A 73 3.354 9.294 6.430 1.00 61.05 H new ATOM 0 HE2 PHE A 73 3.595 7.881 2.426 1.00 50.14 H new ATOM 0 HZ PHE A 73 4.697 8.673 4.468 1.00 53.25 H new ATOM 1206 N ILE A 74 -1.441 8.993 1.454 1.00 54.33 N ATOM 1207 CA ILE A 74 -1.121 9.134 0.014 1.00 72.50 C ATOM 1208 C ILE A 74 -1.749 10.419 -0.592 1.00 34.02 C ATOM 1209 O ILE A 74 -1.115 11.108 -1.408 1.00 33.30 O ATOM 1210 CB ILE A 74 -1.564 7.838 -0.794 1.00 55.10 C ATOM 1211 CG1 ILE A 74 -0.681 6.610 -0.381 1.00 41.12 C ATOM 1212 CG2 ILE A 74 -1.530 8.050 -2.327 1.00 32.21 C ATOM 1213 CD1 ILE A 74 -0.977 5.313 -1.126 1.00 22.12 C ATOM 0 H ILE A 74 -1.969 8.148 1.670 1.00 54.33 H new ATOM 0 HA ILE A 74 -0.039 9.234 -0.074 1.00 72.50 H new ATOM 0 HB ILE A 74 -2.602 7.635 -0.531 1.00 55.10 H new ATOM 0 HG12 ILE A 74 0.366 6.868 -0.537 1.00 41.12 H new ATOM 0 HG13 ILE A 74 -0.810 6.434 0.687 1.00 41.12 H new ATOM 0 HG21 ILE A 74 -1.842 7.134 -2.828 1.00 32.21 H new ATOM 0 HG22 ILE A 74 -2.208 8.860 -2.597 1.00 32.21 H new ATOM 0 HG23 ILE A 74 -0.517 8.306 -2.636 1.00 32.21 H new ATOM 0 HD11 ILE A 74 -0.313 4.527 -0.766 1.00 22.12 H new ATOM 0 HD12 ILE A 74 -2.013 5.021 -0.951 1.00 22.12 H new ATOM 0 HD13 ILE A 74 -0.818 5.462 -2.194 1.00 22.12 H new ATOM 1225 N THR A 75 -2.967 10.759 -0.135 1.00 33.02 N ATOM 1226 CA THR A 75 -3.741 11.901 -0.668 1.00 33.35 C ATOM 1227 C THR A 75 -3.147 13.262 -0.218 1.00 33.43 C ATOM 1228 O THR A 75 -3.298 14.268 -0.918 1.00 3.33 O ATOM 1229 CB THR A 75 -5.252 11.777 -0.264 1.00 74.04 C ATOM 1230 OG1 THR A 75 -5.763 10.521 -0.755 1.00 35.13 O ATOM 1231 CG2 THR A 75 -6.134 12.914 -0.824 1.00 54.41 C ATOM 0 H THR A 75 -3.444 10.254 0.612 1.00 33.02 H new ATOM 0 HA THR A 75 -3.673 11.870 -1.755 1.00 33.35 H new ATOM 0 HB THR A 75 -5.294 11.840 0.823 1.00 74.04 H new ATOM 0 HG1 THR A 75 -5.576 9.814 -0.103 1.00 35.13 H new ATOM 0 HG21 THR A 75 -7.166 12.765 -0.506 1.00 54.41 H new ATOM 0 HG22 THR A 75 -5.774 13.872 -0.449 1.00 54.41 H new ATOM 0 HG23 THR A 75 -6.086 12.909 -1.913 1.00 54.41 H new ATOM 1239 N GLN A 76 -2.451 13.288 0.938 1.00 40.51 N ATOM 1240 CA GLN A 76 -1.827 14.529 1.466 1.00 1.43 C ATOM 1241 C GLN A 76 -0.341 14.633 1.072 1.00 40.22 C ATOM 1242 O GLN A 76 0.109 15.705 0.635 1.00 50.23 O ATOM 1243 CB GLN A 76 -1.991 14.626 3.003 1.00 65.13 C ATOM 1244 CG GLN A 76 -3.459 14.744 3.467 1.00 34.42 C ATOM 1245 CD GLN A 76 -3.617 15.084 4.951 1.00 64.13 C ATOM 1246 OE1 GLN A 76 -2.770 15.756 5.546 1.00 63.42 O ATOM 1247 NE2 GLN A 76 -4.710 14.643 5.557 1.00 33.43 N ATOM 0 H GLN A 76 -2.305 12.467 1.526 1.00 40.51 H new ATOM 0 HA GLN A 76 -2.350 15.370 1.011 1.00 1.43 H new ATOM 0 HB2 GLN A 76 -1.544 13.745 3.463 1.00 65.13 H new ATOM 0 HB3 GLN A 76 -1.435 15.491 3.364 1.00 65.13 H new ATOM 0 HG2 GLN A 76 -3.956 15.512 2.874 1.00 34.42 H new ATOM 0 HG3 GLN A 76 -3.970 13.803 3.264 1.00 34.42 H new ATOM 0 HE21 GLN A 76 -5.392 14.090 5.039 1.00 33.43 H new ATOM 0 HE22 GLN A 76 -4.869 14.857 6.542 1.00 33.43 H new ATOM 1256 N THR A 77 0.407 13.519 1.204 1.00 51.41 N ATOM 1257 CA THR A 77 1.863 13.495 0.960 1.00 25.53 C ATOM 1258 C THR A 77 2.182 13.737 -0.522 1.00 61.31 C ATOM 1259 O THR A 77 1.315 13.613 -1.392 1.00 50.11 O ATOM 1260 CB THR A 77 2.534 12.152 1.434 1.00 20.44 C ATOM 1261 OG1 THR A 77 3.959 12.314 1.480 1.00 61.01 O ATOM 1262 CG2 THR A 77 2.214 10.945 0.523 1.00 3.32 C ATOM 0 H THR A 77 0.022 12.616 1.481 1.00 51.41 H new ATOM 0 HA THR A 77 2.283 14.305 1.556 1.00 25.53 H new ATOM 0 HB THR A 77 2.121 11.939 2.420 1.00 20.44 H new ATOM 0 HG1 THR A 77 4.374 11.477 1.777 1.00 61.01 H new ATOM 0 HG21 THR A 77 2.710 10.055 0.911 1.00 3.32 H new ATOM 0 HG22 THR A 77 1.137 10.780 0.502 1.00 3.32 H new ATOM 0 HG23 THR A 77 2.570 11.147 -0.487 1.00 3.32 H new ATOM 1270 N LYS A 78 3.439 14.077 -0.790 1.00 42.03 N ATOM 1271 CA LYS A 78 3.947 14.338 -2.147 1.00 3.01 C ATOM 1272 C LYS A 78 5.189 13.473 -2.425 1.00 23.32 C ATOM 1273 O LYS A 78 5.930 13.723 -3.380 1.00 53.52 O ATOM 1274 CB LYS A 78 4.234 15.855 -2.280 1.00 72.33 C ATOM 1275 CG LYS A 78 5.190 16.426 -1.212 1.00 70.32 C ATOM 1276 CD LYS A 78 5.198 17.968 -1.180 1.00 14.12 C ATOM 1277 CE LYS A 78 6.149 18.520 -0.110 1.00 44.43 C ATOM 1278 NZ LYS A 78 7.561 18.126 -0.361 1.00 11.55 N ATOM 0 H LYS A 78 4.149 14.182 -0.065 1.00 42.03 H new ATOM 0 HA LYS A 78 3.206 14.064 -2.897 1.00 3.01 H new ATOM 0 HB2 LYS A 78 4.657 16.046 -3.266 1.00 72.33 H new ATOM 0 HB3 LYS A 78 3.289 16.396 -2.229 1.00 72.33 H new ATOM 0 HG2 LYS A 78 4.899 16.048 -0.232 1.00 70.32 H new ATOM 0 HG3 LYS A 78 6.200 16.066 -1.406 1.00 70.32 H new ATOM 0 HD2 LYS A 78 5.494 18.349 -2.158 1.00 14.12 H new ATOM 0 HD3 LYS A 78 4.188 18.331 -0.989 1.00 14.12 H new ATOM 0 HE2 LYS A 78 6.075 19.607 -0.086 1.00 44.43 H new ATOM 0 HE3 LYS A 78 5.841 18.158 0.871 1.00 44.43 H new ATOM 0 HZ1 LYS A 78 8.186 18.641 0.292 1.00 11.55 H new ATOM 0 HZ2 LYS A 78 7.668 17.103 -0.209 1.00 11.55 H new ATOM 0 HZ3 LYS A 78 7.817 18.359 -1.342 1.00 11.55 H new ATOM 1292 N GLU A 79 5.373 12.428 -1.592 1.00 65.34 N ATOM 1293 CA GLU A 79 6.489 11.477 -1.707 1.00 70.10 C ATOM 1294 C GLU A 79 6.236 10.474 -2.834 1.00 52.12 C ATOM 1295 O GLU A 79 5.121 9.971 -2.988 1.00 25.13 O ATOM 1296 CB GLU A 79 6.676 10.734 -0.360 1.00 62.45 C ATOM 1297 CG GLU A 79 7.097 11.648 0.801 1.00 12.20 C ATOM 1298 CD GLU A 79 8.515 12.217 0.646 1.00 43.42 C ATOM 1299 OE1 GLU A 79 8.688 13.284 0.031 1.00 74.03 O ATOM 1300 OE2 GLU A 79 9.467 11.595 1.142 1.00 44.21 O ATOM 0 H GLU A 79 4.744 12.222 -0.816 1.00 65.34 H new ATOM 0 HA GLU A 79 7.398 12.030 -1.945 1.00 70.10 H new ATOM 0 HB2 GLU A 79 5.742 10.237 -0.098 1.00 62.45 H new ATOM 0 HB3 GLU A 79 7.428 9.955 -0.487 1.00 62.45 H new ATOM 0 HG2 GLU A 79 6.389 12.473 0.879 1.00 12.20 H new ATOM 0 HG3 GLU A 79 7.038 11.088 1.734 1.00 12.20 H new ATOM 1307 N ARG A 80 7.291 10.198 -3.603 1.00 71.11 N ATOM 1308 CA ARG A 80 7.278 9.229 -4.707 1.00 11.13 C ATOM 1309 C ARG A 80 8.194 8.046 -4.357 1.00 12.34 C ATOM 1310 O ARG A 80 9.322 8.270 -3.913 1.00 50.44 O ATOM 1311 CB ARG A 80 7.766 9.885 -6.029 1.00 51.54 C ATOM 1312 CG ARG A 80 6.795 10.914 -6.623 1.00 61.32 C ATOM 1313 CD ARG A 80 7.260 11.432 -7.994 1.00 34.22 C ATOM 1314 NE ARG A 80 6.334 12.419 -8.566 1.00 54.40 N ATOM 1315 CZ ARG A 80 6.304 12.787 -9.857 1.00 13.44 C ATOM 1316 NH1 ARG A 80 7.150 12.257 -10.750 1.00 53.50 N ATOM 1317 NH2 ARG A 80 5.445 13.717 -10.253 1.00 21.25 N ATOM 0 H ARG A 80 8.197 10.649 -3.476 1.00 71.11 H new ATOM 0 HA ARG A 80 6.255 8.882 -4.850 1.00 11.13 H new ATOM 0 HB2 ARG A 80 8.724 10.371 -5.847 1.00 51.54 H new ATOM 0 HB3 ARG A 80 7.941 9.101 -6.766 1.00 51.54 H new ATOM 0 HG2 ARG A 80 5.808 10.463 -6.723 1.00 61.32 H new ATOM 0 HG3 ARG A 80 6.693 11.754 -5.935 1.00 61.32 H new ATOM 0 HD2 ARG A 80 8.248 11.881 -7.893 1.00 34.22 H new ATOM 0 HD3 ARG A 80 7.361 10.592 -8.681 1.00 34.22 H new ATOM 0 HE ARG A 80 5.663 12.858 -7.935 1.00 54.40 H new ATOM 0 HH11 ARG A 80 7.833 11.560 -10.454 1.00 53.50 H new ATOM 0 HH12 ARG A 80 7.111 12.550 -11.726 1.00 53.50 H new ATOM 0 HH21 ARG A 80 4.813 14.148 -9.578 1.00 21.25 H new ATOM 0 HH22 ARG A 80 5.417 14.001 -11.232 1.00 21.25 H new ATOM 1331 N PRO A 81 7.740 6.772 -4.560 1.00 32.21 N ATOM 1332 CA PRO A 81 8.614 5.590 -4.391 1.00 41.32 C ATOM 1333 C PRO A 81 9.706 5.569 -5.488 1.00 13.21 C ATOM 1334 O PRO A 81 9.410 5.537 -6.692 1.00 22.02 O ATOM 1335 CB PRO A 81 7.633 4.394 -4.500 1.00 2.10 C ATOM 1336 CG PRO A 81 6.459 4.917 -5.277 1.00 5.33 C ATOM 1337 CD PRO A 81 6.358 6.393 -4.965 1.00 42.40 C ATOM 0 HA PRO A 81 9.161 5.575 -3.448 1.00 41.32 H new ATOM 0 HB2 PRO A 81 8.097 3.549 -5.009 1.00 2.10 H new ATOM 0 HB3 PRO A 81 7.328 4.044 -3.514 1.00 2.10 H new ATOM 0 HG2 PRO A 81 6.599 4.756 -6.346 1.00 5.33 H new ATOM 0 HG3 PRO A 81 5.544 4.397 -4.993 1.00 5.33 H new ATOM 0 HD2 PRO A 81 6.026 6.963 -5.833 1.00 42.40 H new ATOM 0 HD3 PRO A 81 5.642 6.584 -4.166 1.00 42.40 H new ATOM 1345 N ARG A 82 10.965 5.613 -5.045 1.00 3.44 N ATOM 1346 CA ARG A 82 12.151 5.715 -5.922 1.00 12.34 C ATOM 1347 C ARG A 82 13.047 4.483 -5.706 1.00 13.41 C ATOM 1348 O ARG A 82 12.821 3.715 -4.774 1.00 74.13 O ATOM 1349 CB ARG A 82 12.918 7.057 -5.626 1.00 32.14 C ATOM 1350 CG ARG A 82 13.144 7.974 -6.852 1.00 41.24 C ATOM 1351 CD ARG A 82 11.827 8.389 -7.541 1.00 1.14 C ATOM 1352 NE ARG A 82 12.047 9.397 -8.597 1.00 41.34 N ATOM 1353 CZ ARG A 82 11.360 9.490 -9.754 1.00 23.31 C ATOM 1354 NH1 ARG A 82 10.384 8.627 -10.054 1.00 73.23 N ATOM 1355 NH2 ARG A 82 11.650 10.468 -10.605 1.00 70.20 N ATOM 0 H ARG A 82 11.201 5.579 -4.053 1.00 3.44 H new ATOM 0 HA ARG A 82 11.847 5.734 -6.969 1.00 12.34 H new ATOM 0 HB2 ARG A 82 12.362 7.615 -4.873 1.00 32.14 H new ATOM 0 HB3 ARG A 82 13.888 6.814 -5.191 1.00 32.14 H new ATOM 0 HG2 ARG A 82 13.681 8.869 -6.536 1.00 41.24 H new ATOM 0 HG3 ARG A 82 13.779 7.459 -7.573 1.00 41.24 H new ATOM 0 HD2 ARG A 82 11.352 7.509 -7.974 1.00 1.14 H new ATOM 0 HD3 ARG A 82 11.139 8.789 -6.796 1.00 1.14 H new ATOM 0 HE ARG A 82 12.784 10.084 -8.437 1.00 41.34 H new ATOM 0 HH11 ARG A 82 10.146 7.880 -9.402 1.00 73.23 H new ATOM 0 HH12 ARG A 82 9.877 8.716 -10.935 1.00 73.23 H new ATOM 0 HH21 ARG A 82 12.385 11.138 -10.380 1.00 70.20 H new ATOM 0 HH22 ARG A 82 11.137 10.549 -11.483 1.00 70.20 H new ATOM 1369 N LEU A 83 14.065 4.305 -6.564 1.00 33.53 N ATOM 1370 CA LEU A 83 14.939 3.117 -6.538 1.00 32.14 C ATOM 1371 C LEU A 83 15.747 3.054 -5.212 1.00 4.23 C ATOM 1372 O LEU A 83 16.793 3.701 -5.070 1.00 42.01 O ATOM 1373 CB LEU A 83 15.876 3.135 -7.773 1.00 73.22 C ATOM 1374 CG LEU A 83 16.790 1.885 -7.976 1.00 23.52 C ATOM 1375 CD1 LEU A 83 15.953 0.610 -8.207 1.00 33.22 C ATOM 1376 CD2 LEU A 83 17.791 2.117 -9.129 1.00 22.04 C ATOM 0 H LEU A 83 14.306 4.977 -7.293 1.00 33.53 H new ATOM 0 HA LEU A 83 14.324 2.218 -6.583 1.00 32.14 H new ATOM 0 HB2 LEU A 83 15.261 3.256 -8.665 1.00 73.22 H new ATOM 0 HB3 LEU A 83 16.514 4.016 -7.704 1.00 73.22 H new ATOM 0 HG LEU A 83 17.363 1.737 -7.061 1.00 23.52 H new ATOM 0 HD11 LEU A 83 16.619 -0.242 -8.345 1.00 33.22 H new ATOM 0 HD12 LEU A 83 15.312 0.434 -7.343 1.00 33.22 H new ATOM 0 HD13 LEU A 83 15.336 0.736 -9.097 1.00 33.22 H new ATOM 0 HD21 LEU A 83 18.417 1.233 -9.251 1.00 22.04 H new ATOM 0 HD22 LEU A 83 17.244 2.305 -10.053 1.00 22.04 H new ATOM 0 HD23 LEU A 83 18.420 2.977 -8.898 1.00 22.04 H new ATOM 1388 N GLY A 84 15.215 2.307 -4.229 1.00 51.33 N ATOM 1389 CA GLY A 84 15.794 2.220 -2.876 1.00 30.32 C ATOM 1390 C GLY A 84 14.899 2.889 -1.833 1.00 24.33 C ATOM 1391 O GLY A 84 14.881 2.491 -0.667 1.00 71.44 O ATOM 0 H GLY A 84 14.371 1.746 -4.350 1.00 51.33 H new ATOM 0 HA2 GLY A 84 15.942 1.173 -2.610 1.00 30.32 H new ATOM 0 HA3 GLY A 84 16.776 2.693 -2.870 1.00 30.32 H new ATOM 1395 N LYS A 85 14.145 3.908 -2.285 1.00 55.41 N ATOM 1396 CA LYS A 85 13.197 4.681 -1.460 1.00 21.33 C ATOM 1397 C LYS A 85 11.779 4.066 -1.546 1.00 2.52 C ATOM 1398 O LYS A 85 11.132 4.118 -2.593 1.00 4.05 O ATOM 1399 CB LYS A 85 13.178 6.153 -1.963 1.00 25.22 C ATOM 1400 CG LYS A 85 12.087 7.057 -1.340 1.00 2.20 C ATOM 1401 CD LYS A 85 12.062 8.469 -1.970 1.00 64.51 C ATOM 1402 CE LYS A 85 10.916 9.336 -1.435 1.00 11.21 C ATOM 1403 NZ LYS A 85 11.018 9.538 0.025 1.00 14.51 N ATOM 0 H LYS A 85 14.178 4.224 -3.254 1.00 55.41 H new ATOM 0 HA LYS A 85 13.514 4.653 -0.418 1.00 21.33 H new ATOM 0 HB2 LYS A 85 14.152 6.599 -1.763 1.00 25.22 H new ATOM 0 HB3 LYS A 85 13.046 6.147 -3.045 1.00 25.22 H new ATOM 0 HG2 LYS A 85 11.112 6.587 -1.469 1.00 2.20 H new ATOM 0 HG3 LYS A 85 12.260 7.144 -0.267 1.00 2.20 H new ATOM 0 HD2 LYS A 85 13.011 8.967 -1.773 1.00 64.51 H new ATOM 0 HD3 LYS A 85 11.968 8.378 -3.052 1.00 64.51 H new ATOM 0 HE2 LYS A 85 10.926 10.303 -1.938 1.00 11.21 H new ATOM 0 HE3 LYS A 85 9.962 8.864 -1.671 1.00 11.21 H new ATOM 0 HZ1 LYS A 85 10.433 10.351 0.305 1.00 14.51 H new ATOM 0 HZ2 LYS A 85 10.684 8.685 0.518 1.00 14.51 H new ATOM 0 HZ3 LYS A 85 12.009 9.720 0.282 1.00 14.51 H new ATOM 1417 N ALA A 86 11.311 3.470 -0.448 1.00 0.33 N ATOM 1418 CA ALA A 86 9.931 2.957 -0.336 1.00 35.32 C ATOM 1419 C ALA A 86 9.088 3.923 0.495 1.00 50.45 C ATOM 1420 O ALA A 86 9.559 4.419 1.529 1.00 44.45 O ATOM 1421 CB ALA A 86 9.929 1.561 0.296 1.00 75.42 C ATOM 0 H ALA A 86 11.872 3.326 0.392 1.00 0.33 H new ATOM 0 HA ALA A 86 9.499 2.879 -1.334 1.00 35.32 H new ATOM 0 HB1 ALA A 86 8.904 1.197 0.371 1.00 75.42 H new ATOM 0 HB2 ALA A 86 10.511 0.880 -0.325 1.00 75.42 H new ATOM 0 HB3 ALA A 86 10.370 1.612 1.291 1.00 75.42 H new ATOM 1427 N VAL A 87 7.853 4.207 0.039 1.00 63.45 N ATOM 1428 CA VAL A 87 6.905 5.044 0.790 1.00 52.21 C ATOM 1429 C VAL A 87 6.279 4.190 1.915 1.00 32.02 C ATOM 1430 O VAL A 87 5.272 3.502 1.718 1.00 0.11 O ATOM 1431 CB VAL A 87 5.803 5.673 -0.154 1.00 51.42 C ATOM 1432 CG1 VAL A 87 4.785 6.531 0.632 1.00 3.32 C ATOM 1433 CG2 VAL A 87 6.454 6.501 -1.283 1.00 64.52 C ATOM 0 H VAL A 87 7.490 3.866 -0.851 1.00 63.45 H new ATOM 0 HA VAL A 87 7.437 5.887 1.231 1.00 52.21 H new ATOM 0 HB VAL A 87 5.253 4.845 -0.601 1.00 51.42 H new ATOM 0 HG11 VAL A 87 4.047 6.943 -0.057 1.00 3.32 H new ATOM 0 HG12 VAL A 87 4.282 5.911 1.374 1.00 3.32 H new ATOM 0 HG13 VAL A 87 5.307 7.346 1.134 1.00 3.32 H new ATOM 0 HG21 VAL A 87 5.676 6.924 -1.919 1.00 64.52 H new ATOM 0 HG22 VAL A 87 7.045 7.307 -0.849 1.00 64.52 H new ATOM 0 HG23 VAL A 87 7.101 5.858 -1.879 1.00 64.52 H new ATOM 1443 N SER A 88 6.945 4.199 3.079 1.00 71.21 N ATOM 1444 CA SER A 88 6.520 3.449 4.257 1.00 42.13 C ATOM 1445 C SER A 88 5.384 4.210 4.946 1.00 43.14 C ATOM 1446 O SER A 88 5.622 5.218 5.620 1.00 30.24 O ATOM 1447 CB SER A 88 7.721 3.226 5.210 1.00 75.30 C ATOM 1448 OG SER A 88 7.361 2.471 6.351 1.00 24.32 O ATOM 0 H SER A 88 7.801 4.734 3.224 1.00 71.21 H new ATOM 0 HA SER A 88 6.152 2.466 3.964 1.00 42.13 H new ATOM 0 HB2 SER A 88 8.519 2.713 4.673 1.00 75.30 H new ATOM 0 HB3 SER A 88 8.118 4.191 5.525 1.00 75.30 H new ATOM 0 HG SER A 88 6.935 3.058 7.010 1.00 24.32 H new ATOM 1454 N ILE A 89 4.155 3.747 4.697 1.00 54.21 N ATOM 1455 CA ILE A 89 2.931 4.312 5.273 1.00 45.34 C ATOM 1456 C ILE A 89 2.728 3.742 6.695 1.00 71.32 C ATOM 1457 O ILE A 89 2.427 2.549 6.831 1.00 55.02 O ATOM 1458 CB ILE A 89 1.683 3.959 4.377 1.00 63.42 C ATOM 1459 CG1 ILE A 89 1.926 4.400 2.897 1.00 23.43 C ATOM 1460 CG2 ILE A 89 0.378 4.577 4.950 1.00 1.43 C ATOM 1461 CD1 ILE A 89 0.857 3.954 1.923 1.00 53.50 C ATOM 0 H ILE A 89 3.980 2.955 4.079 1.00 54.21 H new ATOM 0 HA ILE A 89 3.029 5.397 5.319 1.00 45.34 H new ATOM 0 HB ILE A 89 1.555 2.877 4.388 1.00 63.42 H new ATOM 0 HG12 ILE A 89 1.999 5.487 2.863 1.00 23.43 H new ATOM 0 HG13 ILE A 89 2.887 4.005 2.567 1.00 23.43 H new ATOM 0 HG21 ILE A 89 -0.462 4.314 4.307 1.00 1.43 H new ATOM 0 HG22 ILE A 89 0.202 4.190 5.954 1.00 1.43 H new ATOM 0 HG23 ILE A 89 0.477 5.662 4.992 1.00 1.43 H new ATOM 0 HD11 ILE A 89 1.108 4.304 0.922 1.00 53.50 H new ATOM 0 HD12 ILE A 89 0.797 2.866 1.922 1.00 53.50 H new ATOM 0 HD13 ILE A 89 -0.105 4.370 2.223 1.00 53.50 H new ATOM 1473 N PRO A 90 2.924 4.561 7.777 1.00 14.24 N ATOM 1474 CA PRO A 90 2.658 4.115 9.158 1.00 45.42 C ATOM 1475 C PRO A 90 1.146 3.977 9.398 1.00 34.41 C ATOM 1476 O PRO A 90 0.407 4.965 9.309 1.00 1.32 O ATOM 1477 CB PRO A 90 3.298 5.236 10.043 1.00 14.21 C ATOM 1478 CG PRO A 90 4.116 6.073 9.093 1.00 34.11 C ATOM 1479 CD PRO A 90 3.418 5.959 7.760 1.00 10.31 C ATOM 0 HA PRO A 90 3.075 3.134 9.385 1.00 45.42 H new ATOM 0 HB2 PRO A 90 2.531 5.835 10.535 1.00 14.21 H new ATOM 0 HB3 PRO A 90 3.922 4.809 10.828 1.00 14.21 H new ATOM 0 HG2 PRO A 90 4.164 7.110 9.424 1.00 34.11 H new ATOM 0 HG3 PRO A 90 5.142 5.710 9.032 1.00 34.11 H new ATOM 0 HD2 PRO A 90 2.603 6.677 7.666 1.00 10.31 H new ATOM 0 HD3 PRO A 90 4.099 6.139 6.928 1.00 10.31 H new ATOM 1487 N LEU A 91 0.681 2.744 9.652 1.00 61.12 N ATOM 1488 CA LEU A 91 -0.730 2.501 9.948 1.00 10.03 C ATOM 1489 C LEU A 91 -0.997 2.888 11.405 1.00 14.51 C ATOM 1490 O LEU A 91 -0.766 2.098 12.323 1.00 64.34 O ATOM 1491 CB LEU A 91 -1.113 1.025 9.671 1.00 34.20 C ATOM 1492 CG LEU A 91 -0.880 0.515 8.214 1.00 4.33 C ATOM 1493 CD1 LEU A 91 -1.409 -0.919 8.052 1.00 63.15 C ATOM 1494 CD2 LEU A 91 -1.506 1.464 7.170 1.00 50.13 C ATOM 0 H LEU A 91 1.263 1.906 9.657 1.00 61.12 H new ATOM 0 HA LEU A 91 -1.353 3.112 9.294 1.00 10.03 H new ATOM 0 HB2 LEU A 91 -0.545 0.390 10.351 1.00 34.20 H new ATOM 0 HB3 LEU A 91 -2.167 0.893 9.916 1.00 34.20 H new ATOM 0 HG LEU A 91 0.195 0.505 8.033 1.00 4.33 H new ATOM 0 HD11 LEU A 91 -1.238 -1.257 7.030 1.00 63.15 H new ATOM 0 HD12 LEU A 91 -0.888 -1.580 8.745 1.00 63.15 H new ATOM 0 HD13 LEU A 91 -2.478 -0.939 8.266 1.00 63.15 H new ATOM 0 HD21 LEU A 91 -1.323 1.075 6.168 1.00 50.13 H new ATOM 0 HD22 LEU A 91 -2.580 1.535 7.341 1.00 50.13 H new ATOM 0 HD23 LEU A 91 -1.058 2.453 7.263 1.00 50.13 H new ATOM 1506 N ASP A 92 -1.410 4.147 11.592 1.00 32.31 N ATOM 1507 CA ASP A 92 -1.763 4.684 12.911 1.00 11.24 C ATOM 1508 C ASP A 92 -3.005 3.956 13.442 1.00 21.00 C ATOM 1509 O ASP A 92 -4.132 4.203 13.000 1.00 74.22 O ATOM 1510 CB ASP A 92 -1.979 6.224 12.817 1.00 53.31 C ATOM 1511 CG ASP A 92 -2.579 6.874 14.083 1.00 14.24 C ATOM 1512 OD1 ASP A 92 -2.069 6.625 15.195 1.00 33.51 O ATOM 1513 OD2 ASP A 92 -3.573 7.633 13.965 1.00 12.30 O ATOM 0 H ASP A 92 -1.509 4.822 10.833 1.00 32.31 H new ATOM 0 HA ASP A 92 -0.949 4.514 13.616 1.00 11.24 H new ATOM 0 HB2 ASP A 92 -1.021 6.698 12.602 1.00 53.31 H new ATOM 0 HB3 ASP A 92 -2.636 6.433 11.973 1.00 53.31 H new ATOM 1518 N LEU A 93 -2.762 2.981 14.333 1.00 21.14 N ATOM 1519 CA LEU A 93 -3.812 2.174 14.948 1.00 64.30 C ATOM 1520 C LEU A 93 -3.851 2.464 16.453 1.00 2.41 C ATOM 1521 O LEU A 93 -3.412 1.659 17.276 1.00 42.04 O ATOM 1522 CB LEU A 93 -3.587 0.656 14.653 1.00 3.21 C ATOM 1523 CG LEU A 93 -3.437 0.254 13.146 1.00 55.15 C ATOM 1524 CD1 LEU A 93 -3.189 -1.264 12.998 1.00 72.14 C ATOM 1525 CD2 LEU A 93 -4.652 0.704 12.306 1.00 21.42 C ATOM 0 H LEU A 93 -1.823 2.734 14.645 1.00 21.14 H new ATOM 0 HA LEU A 93 -4.778 2.439 14.519 1.00 64.30 H new ATOM 0 HB2 LEU A 93 -2.691 0.334 15.183 1.00 3.21 H new ATOM 0 HB3 LEU A 93 -4.424 0.098 15.074 1.00 3.21 H new ATOM 0 HG LEU A 93 -2.565 0.779 12.757 1.00 55.15 H new ATOM 0 HD11 LEU A 93 -3.089 -1.515 11.942 1.00 72.14 H new ATOM 0 HD12 LEU A 93 -2.274 -1.536 13.524 1.00 72.14 H new ATOM 0 HD13 LEU A 93 -4.029 -1.813 13.423 1.00 72.14 H new ATOM 0 HD21 LEU A 93 -4.507 0.406 11.268 1.00 21.42 H new ATOM 0 HD22 LEU A 93 -5.557 0.237 12.695 1.00 21.42 H new ATOM 0 HD23 LEU A 93 -4.751 1.788 12.361 1.00 21.42 H new ATOM 1537 N GLY A 94 -4.300 3.677 16.792 1.00 32.10 N ATOM 1538 CA GLY A 94 -4.648 4.026 18.174 1.00 24.43 C ATOM 1539 C GLY A 94 -6.155 4.099 18.299 1.00 2.11 C ATOM 1540 O GLY A 94 -6.788 3.266 18.963 1.00 72.04 O ATOM 0 H GLY A 94 -4.432 4.437 16.125 1.00 32.10 H new ATOM 0 HA2 GLY A 94 -4.249 3.281 18.862 1.00 24.43 H new ATOM 0 HA3 GLY A 94 -4.201 4.982 18.445 1.00 24.43 H new ATOM 1544 N GLU A 95 -6.726 5.084 17.585 1.00 41.43 N ATOM 1545 CA GLU A 95 -8.178 5.236 17.402 1.00 70.41 C ATOM 1546 C GLU A 95 -8.709 4.073 16.545 1.00 14.31 C ATOM 1547 O GLU A 95 -9.757 3.493 16.839 1.00 44.52 O ATOM 1548 CB GLU A 95 -8.484 6.601 16.715 1.00 25.55 C ATOM 1549 CG GLU A 95 -7.888 7.829 17.438 1.00 62.54 C ATOM 1550 CD GLU A 95 -8.071 9.143 16.656 1.00 71.45 C ATOM 1551 OE1 GLU A 95 -7.404 9.318 15.616 1.00 3.30 O ATOM 1552 OE2 GLU A 95 -8.875 10.008 17.080 1.00 3.34 O ATOM 0 H GLU A 95 -6.183 5.807 17.112 1.00 41.43 H new ATOM 0 HA GLU A 95 -8.673 5.217 18.373 1.00 70.41 H new ATOM 0 HB2 GLU A 95 -8.101 6.574 15.695 1.00 25.55 H new ATOM 0 HB3 GLU A 95 -9.565 6.725 16.646 1.00 25.55 H new ATOM 0 HG2 GLU A 95 -8.357 7.928 18.417 1.00 62.54 H new ATOM 0 HG3 GLU A 95 -6.825 7.661 17.609 1.00 62.54 H new ATOM 1559 N ARG A 96 -7.930 3.711 15.506 1.00 11.03 N ATOM 1560 CA ARG A 96 -8.297 2.663 14.539 1.00 34.31 C ATOM 1561 C ARG A 96 -8.083 1.243 15.101 1.00 64.22 C ATOM 1562 O ARG A 96 -8.556 0.263 14.519 1.00 0.22 O ATOM 1563 CB ARG A 96 -7.529 2.859 13.211 1.00 32.01 C ATOM 1564 CG ARG A 96 -7.842 4.194 12.502 1.00 41.31 C ATOM 1565 CD ARG A 96 -9.320 4.331 12.095 1.00 23.31 C ATOM 1566 NE ARG A 96 -9.605 5.637 11.491 1.00 61.55 N ATOM 1567 CZ ARG A 96 -10.805 6.039 11.030 1.00 4.52 C ATOM 1568 NH1 ARG A 96 -11.877 5.241 11.103 1.00 11.34 N ATOM 1569 NH2 ARG A 96 -10.921 7.245 10.505 1.00 64.35 N ATOM 0 H ARG A 96 -7.025 4.141 15.315 1.00 11.03 H new ATOM 0 HA ARG A 96 -9.365 2.762 14.343 1.00 34.31 H new ATOM 0 HB2 ARG A 96 -6.459 2.806 13.410 1.00 32.01 H new ATOM 0 HB3 ARG A 96 -7.769 2.036 12.538 1.00 32.01 H new ATOM 0 HG2 ARG A 96 -7.575 5.020 13.162 1.00 41.31 H new ATOM 0 HG3 ARG A 96 -7.217 4.281 11.613 1.00 41.31 H new ATOM 0 HD2 ARG A 96 -9.576 3.541 11.389 1.00 23.31 H new ATOM 0 HD3 ARG A 96 -9.952 4.192 12.972 1.00 23.31 H new ATOM 0 HE ARG A 96 -8.830 6.296 11.414 1.00 61.55 H new ATOM 0 HH11 ARG A 96 -11.793 4.311 11.513 1.00 11.34 H new ATOM 0 HH12 ARG A 96 -12.778 5.563 10.749 1.00 11.34 H new ATOM 0 HH21 ARG A 96 -10.108 7.859 10.453 1.00 64.35 H new ATOM 0 HH22 ARG A 96 -11.824 7.563 10.152 1.00 64.35 H new ATOM 1583 N ALA A 97 -7.377 1.143 16.239 1.00 1.24 N ATOM 1584 CA ALA A 97 -7.246 -0.123 16.980 1.00 72.32 C ATOM 1585 C ALA A 97 -8.548 -0.446 17.737 1.00 1.43 C ATOM 1586 O ALA A 97 -8.814 -1.598 18.051 1.00 25.21 O ATOM 1587 CB ALA A 97 -6.070 -0.053 17.954 1.00 4.03 C ATOM 0 H ALA A 97 -6.886 1.927 16.668 1.00 1.24 H new ATOM 0 HA ALA A 97 -7.057 -0.921 16.262 1.00 72.32 H new ATOM 0 HB1 ALA A 97 -5.988 -0.997 18.493 1.00 4.03 H new ATOM 0 HB2 ALA A 97 -5.149 0.130 17.400 1.00 4.03 H new ATOM 0 HB3 ALA A 97 -6.233 0.758 18.664 1.00 4.03 H new ATOM 1593 N SER A 98 -9.340 0.602 18.040 1.00 43.42 N ATOM 1594 CA SER A 98 -10.595 0.483 18.809 1.00 21.04 C ATOM 1595 C SER A 98 -11.804 0.178 17.896 1.00 4.31 C ATOM 1596 O SER A 98 -12.888 -0.123 18.408 1.00 32.02 O ATOM 1597 CB SER A 98 -10.822 1.788 19.619 1.00 12.41 C ATOM 1598 OG SER A 98 -11.996 1.716 20.426 1.00 34.34 O ATOM 0 H SER A 98 -9.126 1.558 17.757 1.00 43.42 H new ATOM 0 HA SER A 98 -10.504 -0.359 19.495 1.00 21.04 H new ATOM 0 HB2 SER A 98 -9.956 1.976 20.254 1.00 12.41 H new ATOM 0 HB3 SER A 98 -10.904 2.631 18.933 1.00 12.41 H new ATOM 0 HG SER A 98 -12.645 1.113 20.007 1.00 34.34 H new ATOM 1604 N GLU A 99 -11.608 0.250 16.553 1.00 63.52 N ATOM 1605 CA GLU A 99 -12.685 0.010 15.554 1.00 31.32 C ATOM 1606 C GLU A 99 -13.343 -1.364 15.756 1.00 23.23 C ATOM 1607 O GLU A 99 -14.573 -1.492 15.733 1.00 45.41 O ATOM 1608 CB GLU A 99 -12.126 0.087 14.105 1.00 13.03 C ATOM 1609 CG GLU A 99 -11.527 1.444 13.707 1.00 13.23 C ATOM 1610 CD GLU A 99 -12.550 2.585 13.605 1.00 55.02 C ATOM 1611 OE1 GLU A 99 -12.826 3.252 14.616 1.00 33.53 O ATOM 1612 OE2 GLU A 99 -13.061 2.838 12.500 1.00 14.14 O ATOM 0 H GLU A 99 -10.706 0.474 16.134 1.00 63.52 H new ATOM 0 HA GLU A 99 -13.432 0.790 15.701 1.00 31.32 H new ATOM 0 HB2 GLU A 99 -11.360 -0.679 13.987 1.00 13.03 H new ATOM 0 HB3 GLU A 99 -12.929 -0.156 13.409 1.00 13.03 H new ATOM 0 HG2 GLU A 99 -10.766 1.719 14.437 1.00 13.23 H new ATOM 0 HG3 GLU A 99 -11.023 1.337 12.746 1.00 13.23 H new ATOM 1619 N TRP A 100 -12.501 -2.388 15.967 1.00 22.15 N ATOM 1620 CA TRP A 100 -12.952 -3.784 16.079 1.00 61.21 C ATOM 1621 C TRP A 100 -13.352 -4.166 17.521 1.00 14.13 C ATOM 1622 O TRP A 100 -13.822 -5.283 17.754 1.00 43.15 O ATOM 1623 CB TRP A 100 -11.880 -4.745 15.488 1.00 74.43 C ATOM 1624 CG TRP A 100 -10.513 -4.699 16.144 1.00 34.22 C ATOM 1625 CD1 TRP A 100 -9.496 -3.812 15.894 1.00 13.00 C ATOM 1626 CD2 TRP A 100 -10.000 -5.611 17.131 1.00 0.22 C ATOM 1627 NE1 TRP A 100 -8.408 -4.111 16.675 1.00 54.03 N ATOM 1628 CE2 TRP A 100 -8.690 -5.207 17.438 1.00 22.40 C ATOM 1629 CE3 TRP A 100 -10.533 -6.726 17.789 1.00 54.33 C ATOM 1630 CZ2 TRP A 100 -7.903 -5.871 18.372 1.00 63.34 C ATOM 1631 CZ3 TRP A 100 -9.750 -7.390 18.712 1.00 62.10 C ATOM 1632 CH2 TRP A 100 -8.447 -6.960 18.997 1.00 33.32 C ATOM 0 H TRP A 100 -11.492 -2.272 16.064 1.00 22.15 H new ATOM 0 HA TRP A 100 -13.862 -3.888 15.488 1.00 61.21 H new ATOM 0 HB2 TRP A 100 -12.259 -5.765 15.554 1.00 74.43 H new ATOM 0 HB3 TRP A 100 -11.761 -4.517 14.429 1.00 74.43 H new ATOM 0 HD1 TRP A 100 -9.545 -2.998 15.186 1.00 13.00 H new ATOM 0 HE1 TRP A 100 -7.528 -3.596 16.684 1.00 54.03 H new ATOM 0 HE3 TRP A 100 -11.538 -7.060 17.578 1.00 54.33 H new ATOM 0 HZ2 TRP A 100 -6.900 -5.540 18.596 1.00 63.34 H new ATOM 0 HZ3 TRP A 100 -10.148 -8.255 19.223 1.00 62.10 H new ATOM 0 HH2 TRP A 100 -7.860 -7.500 19.725 1.00 33.32 H new ATOM 1643 N ILE A 101 -13.181 -3.233 18.480 1.00 1.01 N ATOM 1644 CA ILE A 101 -13.675 -3.412 19.860 1.00 14.52 C ATOM 1645 C ILE A 101 -15.142 -2.954 19.915 1.00 71.41 C ATOM 1646 O ILE A 101 -15.432 -1.757 19.836 1.00 44.21 O ATOM 1647 CB ILE A 101 -12.798 -2.633 20.942 1.00 62.04 C ATOM 1648 CG1 ILE A 101 -11.438 -3.356 21.210 1.00 3.21 C ATOM 1649 CG2 ILE A 101 -13.553 -2.440 22.286 1.00 25.12 C ATOM 1650 CD1 ILE A 101 -10.473 -3.375 20.048 1.00 71.44 C ATOM 0 H ILE A 101 -12.703 -2.346 18.323 1.00 1.01 H new ATOM 0 HA ILE A 101 -13.594 -4.468 20.117 1.00 14.52 H new ATOM 0 HB ILE A 101 -12.601 -1.650 20.515 1.00 62.04 H new ATOM 0 HG12 ILE A 101 -10.950 -2.873 22.057 1.00 3.21 H new ATOM 0 HG13 ILE A 101 -11.645 -4.385 21.505 1.00 3.21 H new ATOM 0 HG21 ILE A 101 -12.914 -1.905 22.989 1.00 25.12 H new ATOM 0 HG22 ILE A 101 -14.463 -1.865 22.113 1.00 25.12 H new ATOM 0 HG23 ILE A 101 -13.812 -3.414 22.701 1.00 25.12 H new ATOM 0 HD11 ILE A 101 -9.563 -3.900 20.339 1.00 71.44 H new ATOM 0 HD12 ILE A 101 -10.932 -3.887 19.202 1.00 71.44 H new ATOM 0 HD13 ILE A 101 -10.227 -2.352 19.763 1.00 71.44 H new ATOM 1662 N ILE A 102 -16.058 -3.929 19.949 1.00 51.42 N ATOM 1663 CA ILE A 102 -17.472 -3.698 20.266 1.00 5.20 C ATOM 1664 C ILE A 102 -17.775 -4.509 21.541 1.00 50.33 C ATOM 1665 O ILE A 102 -18.218 -5.663 21.481 1.00 22.12 O ATOM 1666 CB ILE A 102 -18.479 -4.085 19.094 1.00 34.01 C ATOM 1667 CG1 ILE A 102 -18.172 -3.321 17.751 1.00 44.51 C ATOM 1668 CG2 ILE A 102 -19.949 -3.834 19.532 1.00 41.51 C ATOM 1669 CD1 ILE A 102 -17.016 -3.881 16.926 1.00 71.14 C ATOM 0 H ILE A 102 -15.838 -4.906 19.756 1.00 51.42 H new ATOM 0 HA ILE A 102 -17.628 -2.629 20.410 1.00 5.20 H new ATOM 0 HB ILE A 102 -18.337 -5.148 18.897 1.00 34.01 H new ATOM 0 HG12 ILE A 102 -19.072 -3.328 17.136 1.00 44.51 H new ATOM 0 HG13 ILE A 102 -17.956 -2.279 17.987 1.00 44.51 H new ATOM 0 HG21 ILE A 102 -20.622 -4.104 18.718 1.00 41.51 H new ATOM 0 HG22 ILE A 102 -20.176 -4.441 20.408 1.00 41.51 H new ATOM 0 HG23 ILE A 102 -20.081 -2.780 19.777 1.00 41.51 H new ATOM 0 HD11 ILE A 102 -16.890 -3.283 16.024 1.00 71.14 H new ATOM 0 HD12 ILE A 102 -16.099 -3.848 17.515 1.00 71.14 H new ATOM 0 HD13 ILE A 102 -17.233 -4.913 16.650 1.00 71.14 H new ATOM 1681 N LEU A 103 -17.391 -3.934 22.687 1.00 41.42 N ATOM 1682 CA LEU A 103 -17.613 -4.540 24.016 1.00 74.43 C ATOM 1683 C LEU A 103 -18.687 -3.743 24.772 1.00 35.33 C ATOM 1684 O LEU A 103 -18.798 -2.527 24.602 1.00 53.25 O ATOM 1685 CB LEU A 103 -16.276 -4.574 24.813 1.00 63.11 C ATOM 1686 CG LEU A 103 -15.131 -5.443 24.200 1.00 70.22 C ATOM 1687 CD1 LEU A 103 -13.816 -5.288 24.991 1.00 44.34 C ATOM 1688 CD2 LEU A 103 -15.546 -6.925 24.095 1.00 42.33 C ATOM 0 H LEU A 103 -16.916 -3.032 22.724 1.00 41.42 H new ATOM 0 HA LEU A 103 -17.963 -5.565 23.898 1.00 74.43 H new ATOM 0 HB2 LEU A 103 -15.913 -3.552 24.917 1.00 63.11 H new ATOM 0 HB3 LEU A 103 -16.485 -4.941 25.818 1.00 63.11 H new ATOM 0 HG LEU A 103 -14.951 -5.076 23.190 1.00 70.22 H new ATOM 0 HD11 LEU A 103 -13.043 -5.907 24.536 1.00 44.34 H new ATOM 0 HD12 LEU A 103 -13.502 -4.244 24.974 1.00 44.34 H new ATOM 0 HD13 LEU A 103 -13.973 -5.603 26.023 1.00 44.34 H new ATOM 0 HD21 LEU A 103 -14.728 -7.502 23.665 1.00 42.33 H new ATOM 0 HD22 LEU A 103 -15.778 -7.309 25.088 1.00 42.33 H new ATOM 0 HD23 LEU A 103 -16.426 -7.012 23.458 1.00 42.33 H new ATOM 1700 N GLU A 104 -19.492 -4.445 25.583 1.00 32.31 N ATOM 1701 CA GLU A 104 -20.591 -3.849 26.368 1.00 15.33 C ATOM 1702 C GLU A 104 -20.423 -4.242 27.861 1.00 1.20 C ATOM 1703 O GLU A 104 -19.737 -3.514 28.604 1.00 52.21 O ATOM 1704 CB GLU A 104 -21.956 -4.325 25.779 1.00 2.00 C ATOM 1705 CG GLU A 104 -22.252 -3.827 24.343 1.00 51.23 C ATOM 1706 CD GLU A 104 -23.478 -4.507 23.703 1.00 22.53 C ATOM 1707 OE1 GLU A 104 -24.615 -4.265 24.156 1.00 1.04 O ATOM 1708 OE2 GLU A 104 -23.310 -5.288 22.748 1.00 51.01 O ATOM 0 H GLU A 104 -19.400 -5.452 25.716 1.00 32.31 H new ATOM 0 HA GLU A 104 -20.566 -2.761 26.309 1.00 15.33 H new ATOM 0 HB2 GLU A 104 -21.977 -5.415 25.782 1.00 2.00 H new ATOM 0 HB3 GLU A 104 -22.757 -3.989 26.437 1.00 2.00 H new ATOM 0 HG2 GLU A 104 -22.413 -2.749 24.366 1.00 51.23 H new ATOM 0 HG3 GLU A 104 -21.378 -4.005 23.717 1.00 51.23 H new TER 1715 GLU A 104