USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 771 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 76 THR OG1 : rot -121:sc= 0.402 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0.228 USER MOD Set 2.1: A 44 SER OG : rot 111:sc= 2.33 USER MOD Set 2.2: A 47 GLN : amide:sc= 1.07 K(o=3.4,f=1.6) USER MOD Set 3.1: A 38 LYS NZ :NH3+ 141:sc= 1.44 (180deg=-1.36!) USER MOD Set 3.2: A 73 SER OG : rot -69:sc= 1.84 USER MOD Set 4.1: A 26 TYR OH : rot 108:sc= -0.675! USER MOD Set 4.2: A 40 GLN : amide:sc= -0.222 K(o=-0.9,f=-5.1!) USER MOD Set 5.1: A 15 GLN : amide:sc= 0.0535 K(o=1.1,f=-0.17) USER MOD Set 5.2: A 16 THR OG1 : rot 62:sc= 1.04 USER MOD Set 6.1: A -6 GLN : amide:sc= 1.59 K(o=4.7,f=-13!) USER MOD Set 6.2: A -25 TYR OH : rot 0:sc= 0.983 USER MOD Set 6.3: A -27 SER N :NH3+ -104:sc= 2.1 (180deg=0.0551) USER MOD Set 7.1: A 6 HIS : no HD1:sc= -0.448 K(o=0.66,f=-10!) USER MOD Set 7.2: A 36 TYR OH : rot 3:sc= 1.1 USER MOD Single : A 9 SER OG : rot 104:sc= 1.24 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl 163:sc= -1.25! (180deg=-2.63!) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.61 K(o=0.61,f=-0.27) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 77:sc= 0.314 USER MOD Single : A 23 GLN : amide:sc= -0.0315 X(o=-0.032,f=-0.097) USER MOD Single : A 24 THR OG1 : rot 171:sc= -0.869 USER MOD Single : A 29 ASN : amide:sc= -1.34! C(o=-1.3!,f=-13!) USER MOD Single : A 32 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.0018) USER MOD Single : A 43 SER OG : rot 88:sc= 1.24 USER MOD Single : A 45 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.9!) USER MOD Single : A 58 MET CE :methyl -158:sc= -0.448 (180deg=-1.83!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0678 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00081 USER MOD Single : A 69 ASN : amide:sc= 0.105 K(o=0.1,f=-5.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 72 SER OG : rot -126:sc= -2.48! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A -10 ASN : amide:sc= -0.843 K(o=-0.84,f=-2.3!) USER MOD Single : A -12 THR OG1 : rot 133:sc= 1.42 USER MOD Single : A -13 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -19 HIS : no HE2:sc= 0.815 K(o=0.81,f=-2.7!) USER MOD Single : A -20 HIS : no HE2:sc= 0.76 K(o=0.76,f=-5.4!) USER MOD Single : A -21 HIS : no HD1:sc= 0 X(o=0,f=-0.00047) USER MOD Single : A -22 HIS :FLIP no HD1:sc= -0.342 F(o=-2,f=-0.34) USER MOD Single : A -23 HIS :FLIP no HD1:sc= -0.513 F(o=-1.1,f=-0.51) USER MOD Single : A -24 HIS : no HE2:sc= -0.0366 K(o=-0.037,f=-0.69) USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER OG : rot -59:sc= 2.17 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -3.594 6.625 11.577 1.00 0.00 N ATOM 2 CA SER A -27 -2.397 6.953 12.416 1.00 0.00 C ATOM 3 C SER A -27 -2.758 6.928 13.913 1.00 0.00 C ATOM 4 O SER A -27 -3.919 6.860 14.274 1.00 0.00 O ATOM 5 CB SER A -27 -1.968 8.358 11.980 1.00 0.00 C ATOM 6 OG SER A -27 -1.583 8.326 10.607 1.00 0.00 O ATOM 0 H1 SER A -27 -3.515 5.649 11.225 1.00 0.00 H new ATOM 0 H2 SER A -27 -4.456 6.717 12.151 1.00 0.00 H new ATOM 0 H3 SER A -27 -3.643 7.280 10.771 1.00 0.00 H new ATOM 0 HA SER A -27 -1.595 6.227 12.280 1.00 0.00 H new ATOM 0 HB2 SER A -27 -2.787 9.062 12.124 1.00 0.00 H new ATOM 0 HB3 SER A -27 -1.138 8.705 12.595 1.00 0.00 H new ATOM 0 HG SER A -27 -0.842 7.696 10.490 1.00 0.00 H new ATOM 14 N TYR A -26 -1.763 6.978 14.779 1.00 0.00 N ATOM 15 CA TYR A -26 -2.008 6.952 16.265 1.00 0.00 C ATOM 16 C TYR A -26 -2.667 5.630 16.677 1.00 0.00 C ATOM 17 O TYR A -26 -3.857 5.431 16.502 1.00 0.00 O ATOM 18 CB TYR A -26 -2.925 8.146 16.574 1.00 0.00 C ATOM 19 CG TYR A -26 -2.130 9.425 16.504 1.00 0.00 C ATOM 20 CD1 TYR A -26 -1.189 9.719 17.496 1.00 0.00 C ATOM 21 CD2 TYR A -26 -2.333 10.317 15.445 1.00 0.00 C ATOM 22 CE1 TYR A -26 -0.448 10.903 17.430 1.00 0.00 C ATOM 23 CE2 TYR A -26 -1.594 11.501 15.379 1.00 0.00 C ATOM 24 CZ TYR A -26 -0.650 11.797 16.373 1.00 0.00 C ATOM 25 OH TYR A -26 0.078 12.970 16.310 1.00 0.00 O ATOM 0 H TYR A -26 -0.780 7.036 14.515 1.00 0.00 H new ATOM 0 HA TYR A -26 -1.075 7.025 16.823 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -3.749 8.179 15.861 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -3.365 8.033 17.565 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -1.034 9.031 18.314 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -3.060 10.090 14.679 1.00 0.00 H new ATOM 0 HE1 TYR A -26 0.280 11.127 18.195 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -1.750 12.189 14.561 1.00 0.00 H new ATOM 0 HH TYR A -26 -0.185 13.476 15.513 1.00 0.00 H new ATOM 35 N TYR A -25 -1.899 4.713 17.210 1.00 0.00 N ATOM 36 CA TYR A -25 -2.480 3.395 17.612 1.00 0.00 C ATOM 37 C TYR A -25 -2.131 3.044 19.066 1.00 0.00 C ATOM 38 O TYR A -25 -1.956 1.889 19.400 1.00 0.00 O ATOM 39 CB TYR A -25 -1.866 2.383 16.636 1.00 0.00 C ATOM 40 CG TYR A -25 -2.160 2.821 15.216 1.00 0.00 C ATOM 41 CD1 TYR A -25 -3.397 2.528 14.628 1.00 0.00 C ATOM 42 CD2 TYR A -25 -1.202 3.546 14.498 1.00 0.00 C ATOM 43 CE1 TYR A -25 -3.668 2.954 13.321 1.00 0.00 C ATOM 44 CE2 TYR A -25 -1.472 3.968 13.192 1.00 0.00 C ATOM 45 CZ TYR A -25 -2.705 3.674 12.605 1.00 0.00 C ATOM 46 OH TYR A -25 -2.971 4.103 11.319 1.00 0.00 O ATOM 0 H TYR A -25 -0.899 4.819 17.384 1.00 0.00 H new ATOM 0 HA TYR A -25 -3.569 3.402 17.567 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -0.790 2.315 16.793 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -2.278 1.390 16.816 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -4.141 1.974 15.181 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -0.251 3.780 14.954 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -4.621 2.727 12.866 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -0.728 4.521 12.638 1.00 0.00 H new ATOM 0 HH TYR A -25 -3.875 3.826 11.062 1.00 0.00 H new ATOM 56 N HIS A -24 -2.062 4.027 19.932 1.00 0.00 N ATOM 57 CA HIS A -24 -1.761 3.770 21.383 1.00 0.00 C ATOM 58 C HIS A -24 -0.457 2.976 21.575 1.00 0.00 C ATOM 59 O HIS A -24 -0.463 1.766 21.718 1.00 0.00 O ATOM 60 CB HIS A -24 -2.965 2.977 21.909 1.00 0.00 C ATOM 61 CG HIS A -24 -2.979 3.010 23.417 1.00 0.00 C ATOM 62 ND1 HIS A -24 -2.116 2.237 24.178 1.00 0.00 N ATOM 63 CD2 HIS A -24 -3.738 3.717 24.315 1.00 0.00 C ATOM 64 CE1 HIS A -24 -2.377 2.493 25.472 1.00 0.00 C ATOM 65 NE2 HIS A -24 -3.357 3.389 25.612 1.00 0.00 N ATOM 0 H HIS A -24 -2.203 5.009 19.695 1.00 0.00 H new ATOM 0 HA HIS A -24 -1.612 4.705 21.923 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -3.890 3.401 21.518 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -2.914 1.946 21.559 1.00 0.00 H new ATOM 0 HD1 HIS A -24 -1.411 1.592 23.821 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -4.514 4.422 24.054 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -1.857 2.030 26.298 1.00 0.00 H new ATOM 73 N HIS A -23 0.652 3.660 21.612 1.00 0.00 N ATOM 74 CA HIS A -23 1.972 2.986 21.831 1.00 0.00 C ATOM 75 C HIS A -23 2.995 4.041 22.266 1.00 0.00 C ATOM 76 O HIS A -23 3.556 3.982 23.345 1.00 0.00 O ATOM 77 CB HIS A -23 2.356 2.373 20.481 1.00 0.00 C ATOM 78 CG HIS A -23 3.146 1.115 20.708 1.00 0.00 C ATOM 79 ND1 HIS A -23 2.872 -0.202 20.435 1.00 0.00 N flip ATOM 80 CD2 HIS A -23 4.404 1.128 21.293 1.00 0.00 C flip ATOM 81 CE1 HIS A -23 3.939 -0.993 20.842 1.00 0.00 C flip ATOM 82 NE2 HIS A -23 4.835 -0.145 21.350 1.00 0.00 N flip ATOM 0 H HIS A -23 0.705 4.672 21.499 1.00 0.00 H new ATOM 0 HA HIS A -23 1.933 2.219 22.604 1.00 0.00 H new ATOM 0 HB2 HIS A -23 1.459 2.152 19.902 1.00 0.00 H new ATOM 0 HB3 HIS A -23 2.944 3.084 19.901 1.00 0.00 H new ATOM 0 HD2 HIS A -23 4.939 2.000 21.639 1.00 0.00 H new ATOM 0 HE1 HIS A -23 4.025 -2.067 20.764 1.00 0.00 H new ATOM 0 HE2 HIS A -23 5.737 -0.427 21.735 1.00 0.00 H new ATOM 90 N HIS A -22 3.209 5.020 21.435 1.00 0.00 N ATOM 91 CA HIS A -22 4.153 6.126 21.756 1.00 0.00 C ATOM 92 C HIS A -22 3.421 7.443 21.500 1.00 0.00 C ATOM 93 O HIS A -22 2.484 7.482 20.724 1.00 0.00 O ATOM 94 CB HIS A -22 5.319 5.951 20.772 1.00 0.00 C ATOM 95 CG HIS A -22 6.480 6.831 21.164 1.00 0.00 C ATOM 96 ND1 HIS A -22 6.644 8.195 21.170 1.00 0.00 N flip ATOM 97 CD2 HIS A -22 7.688 6.308 21.597 1.00 0.00 C flip ATOM 98 CE1 HIS A -22 7.930 8.511 21.595 1.00 0.00 C flip ATOM 99 NE2 HIS A -22 8.515 7.339 21.840 1.00 0.00 N flip ATOM 0 H HIS A -22 2.758 5.102 20.524 1.00 0.00 H new ATOM 0 HA HIS A -22 4.509 6.121 22.786 1.00 0.00 H new ATOM 0 HB2 HIS A -22 5.635 4.908 20.756 1.00 0.00 H new ATOM 0 HB3 HIS A -22 4.991 6.200 19.763 1.00 0.00 H new ATOM 0 HD2 HIS A -22 7.923 5.261 21.717 1.00 0.00 H new ATOM 0 HE1 HIS A -22 8.362 9.495 21.703 1.00 0.00 H new ATOM 0 HE2 HIS A -22 9.474 7.237 22.172 1.00 0.00 H new ATOM 107 N HIS A -21 3.819 8.521 22.119 1.00 0.00 N ATOM 108 CA HIS A -21 3.110 9.816 21.857 1.00 0.00 C ATOM 109 C HIS A -21 3.598 10.409 20.527 1.00 0.00 C ATOM 110 O HIS A -21 3.992 11.557 20.446 1.00 0.00 O ATOM 111 CB HIS A -21 3.445 10.738 23.036 1.00 0.00 C ATOM 112 CG HIS A -21 2.176 11.381 23.519 1.00 0.00 C ATOM 113 ND1 HIS A -21 1.815 12.663 23.145 1.00 0.00 N ATOM 114 CD2 HIS A -21 1.167 10.929 24.332 1.00 0.00 C ATOM 115 CE1 HIS A -21 0.633 12.937 23.721 1.00 0.00 C ATOM 116 NE2 HIS A -21 0.192 11.913 24.458 1.00 0.00 N ATOM 0 H HIS A -21 4.591 8.567 22.785 1.00 0.00 H new ATOM 0 HA HIS A -21 2.031 9.684 21.774 1.00 0.00 H new ATOM 0 HB2 HIS A -21 3.910 10.169 23.841 1.00 0.00 H new ATOM 0 HB3 HIS A -21 4.162 11.500 22.729 1.00 0.00 H new ATOM 0 HD2 HIS A -21 1.135 9.957 24.802 1.00 0.00 H new ATOM 0 HE1 HIS A -21 0.104 13.871 23.603 1.00 0.00 H new ATOM 0 HE2 HIS A -21 -0.673 11.864 24.997 1.00 0.00 H new ATOM 124 N HIS A -20 3.561 9.617 19.486 1.00 0.00 N ATOM 125 CA HIS A -20 4.008 10.064 18.131 1.00 0.00 C ATOM 126 C HIS A -20 3.424 9.091 17.100 1.00 0.00 C ATOM 127 O HIS A -20 2.519 8.337 17.405 1.00 0.00 O ATOM 128 CB HIS A -20 5.540 9.949 18.159 1.00 0.00 C ATOM 129 CG HIS A -20 6.173 11.315 18.070 1.00 0.00 C ATOM 130 ND1 HIS A -20 5.649 12.418 18.723 1.00 0.00 N ATOM 131 CD2 HIS A -20 7.290 11.770 17.413 1.00 0.00 C ATOM 132 CE1 HIS A -20 6.437 13.469 18.445 1.00 0.00 C ATOM 133 NE2 HIS A -20 7.454 13.131 17.652 1.00 0.00 N ATOM 0 H HIS A -20 3.230 8.653 19.520 1.00 0.00 H new ATOM 0 HA HIS A -20 3.690 11.075 17.878 1.00 0.00 H new ATOM 0 HB2 HIS A -20 5.857 9.454 19.077 1.00 0.00 H new ATOM 0 HB3 HIS A -20 5.879 9.329 17.329 1.00 0.00 H new ATOM 0 HD1 HIS A -20 4.815 12.430 19.310 1.00 0.00 H new ATOM 0 HD2 HIS A -20 7.943 11.163 16.803 1.00 0.00 H new ATOM 0 HE1 HIS A -20 6.267 14.468 18.819 1.00 0.00 H new ATOM 141 N HIS A -19 3.935 9.070 15.900 1.00 0.00 N ATOM 142 CA HIS A -19 3.401 8.103 14.890 1.00 0.00 C ATOM 143 C HIS A -19 4.129 6.761 15.050 1.00 0.00 C ATOM 144 O HIS A -19 4.849 6.328 14.173 1.00 0.00 O ATOM 145 CB HIS A -19 3.699 8.725 13.521 1.00 0.00 C ATOM 146 CG HIS A -19 2.668 9.779 13.214 1.00 0.00 C ATOM 147 ND1 HIS A -19 1.790 9.666 12.145 1.00 0.00 N ATOM 148 CD2 HIS A -19 2.357 10.972 13.825 1.00 0.00 C ATOM 149 CE1 HIS A -19 1.005 10.762 12.146 1.00 0.00 C ATOM 150 NE2 HIS A -19 1.307 11.587 13.149 1.00 0.00 N ATOM 0 H HIS A -19 4.691 9.672 15.574 1.00 0.00 H new ATOM 0 HA HIS A -19 2.333 7.918 15.009 1.00 0.00 H new ATOM 0 HB2 HIS A -19 4.696 9.165 13.519 1.00 0.00 H new ATOM 0 HB3 HIS A -19 3.688 7.955 12.750 1.00 0.00 H new ATOM 0 HD1 HIS A -19 1.747 8.894 11.480 1.00 0.00 H new ATOM 0 HD2 HIS A -19 2.853 11.371 14.698 1.00 0.00 H new ATOM 0 HE1 HIS A -19 0.226 10.949 11.422 1.00 0.00 H new ATOM 158 N ASP A -18 3.963 6.118 16.180 1.00 0.00 N ATOM 159 CA ASP A -18 4.666 4.812 16.433 1.00 0.00 C ATOM 160 C ASP A -18 4.504 3.839 15.265 1.00 0.00 C ATOM 161 O ASP A -18 5.447 3.537 14.552 1.00 0.00 O ATOM 162 CB ASP A -18 4.058 4.216 17.727 1.00 0.00 C ATOM 163 CG ASP A -18 2.568 4.562 17.882 1.00 0.00 C ATOM 164 OD1 ASP A -18 1.794 4.240 16.998 1.00 0.00 O ATOM 165 OD2 ASP A -18 2.227 5.139 18.897 1.00 0.00 O ATOM 0 H ASP A -18 3.369 6.440 16.944 1.00 0.00 H new ATOM 0 HA ASP A -18 5.737 4.982 16.540 1.00 0.00 H new ATOM 0 HB2 ASP A -18 4.179 3.133 17.717 1.00 0.00 H new ATOM 0 HB3 ASP A -18 4.608 4.590 18.591 1.00 0.00 H new ATOM 170 N TYR A -17 3.330 3.337 15.082 1.00 0.00 N ATOM 171 CA TYR A -17 3.076 2.364 13.977 1.00 0.00 C ATOM 172 C TYR A -17 2.117 2.984 12.961 1.00 0.00 C ATOM 173 O TYR A -17 0.956 2.632 12.899 1.00 0.00 O ATOM 174 CB TYR A -17 2.429 1.143 14.650 1.00 0.00 C ATOM 175 CG TYR A -17 3.426 0.472 15.569 1.00 0.00 C ATOM 176 CD1 TYR A -17 3.595 0.944 16.875 1.00 0.00 C ATOM 177 CD2 TYR A -17 4.179 -0.619 15.120 1.00 0.00 C ATOM 178 CE1 TYR A -17 4.512 0.328 17.730 1.00 0.00 C ATOM 179 CE2 TYR A -17 5.096 -1.238 15.978 1.00 0.00 C ATOM 180 CZ TYR A -17 5.263 -0.763 17.283 1.00 0.00 C ATOM 181 OH TYR A -17 6.166 -1.374 18.132 1.00 0.00 O ATOM 0 H TYR A -17 2.515 3.556 15.655 1.00 0.00 H new ATOM 0 HA TYR A -17 3.987 2.092 13.445 1.00 0.00 H new ATOM 0 HB2 TYR A -17 1.550 1.452 15.216 1.00 0.00 H new ATOM 0 HB3 TYR A -17 2.088 0.438 13.892 1.00 0.00 H new ATOM 0 HD1 TYR A -17 3.015 1.786 17.223 1.00 0.00 H new ATOM 0 HD2 TYR A -17 4.053 -0.984 14.111 1.00 0.00 H new ATOM 0 HE1 TYR A -17 4.641 0.695 18.737 1.00 0.00 H new ATOM 0 HE2 TYR A -17 5.674 -2.082 15.632 1.00 0.00 H new ATOM 0 HH TYR A -17 6.604 -2.116 17.665 1.00 0.00 H new ATOM 191 N ASP A -16 2.592 3.903 12.158 1.00 0.00 N ATOM 192 CA ASP A -16 1.696 4.552 11.145 1.00 0.00 C ATOM 193 C ASP A -16 1.335 3.599 9.996 1.00 0.00 C ATOM 194 O ASP A -16 0.819 4.020 8.977 1.00 0.00 O ATOM 195 CB ASP A -16 2.486 5.753 10.618 1.00 0.00 C ATOM 196 CG ASP A -16 1.521 6.800 10.067 1.00 0.00 C ATOM 197 OD1 ASP A -16 0.801 7.387 10.856 1.00 0.00 O ATOM 198 OD2 ASP A -16 1.519 7.005 8.869 1.00 0.00 O ATOM 0 H ASP A -16 3.557 4.233 12.158 1.00 0.00 H new ATOM 0 HA ASP A -16 0.747 4.842 11.596 1.00 0.00 H new ATOM 0 HB2 ASP A -16 3.088 6.184 11.418 1.00 0.00 H new ATOM 0 HB3 ASP A -16 3.176 5.433 9.837 1.00 0.00 H new ATOM 203 N ILE A -15 1.569 2.328 10.151 1.00 0.00 N ATOM 204 CA ILE A -15 1.217 1.367 9.077 1.00 0.00 C ATOM 205 C ILE A -15 0.159 0.392 9.595 1.00 0.00 C ATOM 206 O ILE A -15 0.447 -0.498 10.369 1.00 0.00 O ATOM 207 CB ILE A -15 2.506 0.639 8.665 1.00 0.00 C ATOM 208 CG1 ILE A -15 3.592 0.707 9.764 1.00 0.00 C ATOM 209 CG2 ILE A -15 3.011 1.287 7.382 1.00 0.00 C ATOM 210 CD1 ILE A -15 4.401 2.008 9.657 1.00 0.00 C ATOM 0 H ILE A -15 1.992 1.913 10.981 1.00 0.00 H new ATOM 0 HA ILE A -15 0.797 1.874 8.208 1.00 0.00 H new ATOM 0 HB ILE A -15 2.288 -0.418 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A -15 3.125 0.645 10.747 1.00 0.00 H new ATOM 0 HG13 ILE A -15 4.260 -0.150 9.674 1.00 0.00 H new ATOM 0 HG21 ILE A -15 3.928 0.792 7.061 1.00 0.00 H new ATOM 0 HG22 ILE A -15 2.255 1.190 6.603 1.00 0.00 H new ATOM 0 HG23 ILE A -15 3.212 2.343 7.563 1.00 0.00 H new ATOM 0 HD11 ILE A -15 5.158 2.031 10.441 1.00 0.00 H new ATOM 0 HD12 ILE A -15 4.886 2.055 8.682 1.00 0.00 H new ATOM 0 HD13 ILE A -15 3.733 2.862 9.772 1.00 0.00 H new ATOM 222 N PRO A -14 -1.051 0.639 9.174 1.00 0.00 N ATOM 223 CA PRO A -14 -2.204 -0.185 9.604 1.00 0.00 C ATOM 224 C PRO A -14 -2.174 -1.590 8.987 1.00 0.00 C ATOM 225 O PRO A -14 -1.628 -1.804 7.916 1.00 0.00 O ATOM 226 CB PRO A -14 -3.417 0.621 9.142 1.00 0.00 C ATOM 227 CG PRO A -14 -2.923 1.479 8.019 1.00 0.00 C ATOM 228 CD PRO A -14 -1.445 1.690 8.227 1.00 0.00 C ATOM 0 HA PRO A -14 -2.209 -0.367 10.679 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -4.221 -0.036 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -3.817 1.229 9.954 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -3.110 0.999 7.059 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -3.449 2.434 8.006 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -0.896 1.605 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -1.239 2.682 8.628 1.00 0.00 H new ATOM 236 N THR A -13 -2.780 -2.537 9.651 1.00 0.00 N ATOM 237 CA THR A -13 -2.839 -3.933 9.125 1.00 0.00 C ATOM 238 C THR A -13 -4.129 -4.096 8.294 1.00 0.00 C ATOM 239 O THR A -13 -4.612 -3.143 7.707 1.00 0.00 O ATOM 240 CB THR A -13 -2.853 -4.824 10.372 1.00 0.00 C ATOM 241 OG1 THR A -13 -3.909 -4.415 11.235 1.00 0.00 O ATOM 242 CG2 THR A -13 -1.520 -4.701 11.113 1.00 0.00 C ATOM 0 H THR A -13 -3.244 -2.401 10.549 1.00 0.00 H new ATOM 0 HA THR A -13 -2.003 -4.190 8.474 1.00 0.00 H new ATOM 0 HB THR A -13 -3.004 -5.860 10.070 1.00 0.00 H new ATOM 0 HG1 THR A -13 -3.920 -4.985 12.032 1.00 0.00 H new ATOM 0 HG21 THR A -13 -1.536 -5.337 11.998 1.00 0.00 H new ATOM 0 HG22 THR A -13 -0.708 -5.014 10.456 1.00 0.00 H new ATOM 0 HG23 THR A -13 -1.365 -3.665 11.413 1.00 0.00 H new ATOM 250 N THR A -12 -4.692 -5.279 8.236 1.00 0.00 N ATOM 251 CA THR A -12 -5.945 -5.474 7.437 1.00 0.00 C ATOM 252 C THR A -12 -7.161 -4.881 8.167 1.00 0.00 C ATOM 253 O THR A -12 -7.765 -3.924 7.718 1.00 0.00 O ATOM 254 CB THR A -12 -6.092 -6.996 7.296 1.00 0.00 C ATOM 255 OG1 THR A -12 -5.651 -7.636 8.494 1.00 0.00 O ATOM 256 CG2 THR A -12 -5.246 -7.482 6.122 1.00 0.00 C ATOM 0 H THR A -12 -4.341 -6.114 8.704 1.00 0.00 H new ATOM 0 HA THR A -12 -5.891 -4.973 6.471 1.00 0.00 H new ATOM 0 HB THR A -12 -7.139 -7.241 7.119 1.00 0.00 H new ATOM 0 HG1 THR A -12 -6.308 -8.311 8.765 1.00 0.00 H new ATOM 0 HG21 THR A -12 -5.350 -8.562 6.021 1.00 0.00 H new ATOM 0 HG22 THR A -12 -5.583 -6.998 5.205 1.00 0.00 H new ATOM 0 HG23 THR A -12 -4.200 -7.233 6.300 1.00 0.00 H new ATOM 264 N GLU A -11 -7.519 -5.456 9.280 1.00 0.00 N ATOM 265 CA GLU A -11 -8.701 -4.961 10.059 1.00 0.00 C ATOM 266 C GLU A -11 -8.418 -3.608 10.722 1.00 0.00 C ATOM 267 O GLU A -11 -9.321 -2.936 11.181 1.00 0.00 O ATOM 268 CB GLU A -11 -8.983 -6.040 11.107 1.00 0.00 C ATOM 269 CG GLU A -11 -9.579 -7.279 10.422 1.00 0.00 C ATOM 270 CD GLU A -11 -8.613 -8.449 10.547 1.00 0.00 C ATOM 271 OE1 GLU A -11 -7.769 -8.593 9.683 1.00 0.00 O ATOM 272 OE2 GLU A -11 -8.731 -9.184 11.509 1.00 0.00 O ATOM 0 H GLU A -11 -7.041 -6.257 9.693 1.00 0.00 H new ATOM 0 HA GLU A -11 -9.559 -4.795 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -8.062 -6.306 11.626 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -9.674 -5.659 11.859 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -10.535 -7.534 10.879 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -9.774 -7.067 9.371 1.00 0.00 H new ATOM 279 N ASN A -10 -7.183 -3.192 10.758 1.00 0.00 N ATOM 280 CA ASN A -10 -6.853 -1.865 11.376 1.00 0.00 C ATOM 281 C ASN A -10 -7.527 -0.755 10.584 1.00 0.00 C ATOM 282 O ASN A -10 -8.003 0.222 11.128 1.00 0.00 O ATOM 283 CB ASN A -10 -5.332 -1.733 11.303 1.00 0.00 C ATOM 284 CG ASN A -10 -4.870 -0.550 12.157 1.00 0.00 C ATOM 285 OD1 ASN A -10 -5.007 0.590 11.762 1.00 0.00 O ATOM 286 ND2 ASN A -10 -4.318 -0.771 13.318 1.00 0.00 N ATOM 0 H ASN A -10 -6.385 -3.708 10.388 1.00 0.00 H new ATOM 0 HA ASN A -10 -7.202 -1.793 12.406 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -4.861 -2.652 11.654 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -5.020 -1.590 10.268 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -4.003 0.012 13.890 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -4.201 -1.727 13.653 1.00 0.00 H new ATOM 293 N LEU A -9 -7.595 -0.931 9.303 1.00 0.00 N ATOM 294 CA LEU A -9 -8.260 0.076 8.427 1.00 0.00 C ATOM 295 C LEU A -9 -9.742 0.199 8.813 1.00 0.00 C ATOM 296 O LEU A -9 -10.391 1.184 8.515 1.00 0.00 O ATOM 297 CB LEU A -9 -8.098 -0.472 7.006 1.00 0.00 C ATOM 298 CG LEU A -9 -6.615 -0.446 6.612 1.00 0.00 C ATOM 299 CD1 LEU A -9 -6.367 -1.394 5.442 1.00 0.00 C ATOM 300 CD2 LEU A -9 -6.212 0.971 6.208 1.00 0.00 C ATOM 0 H LEU A -9 -7.214 -1.740 8.812 1.00 0.00 H new ATOM 0 HA LEU A -9 -7.828 1.073 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -8.482 -1.491 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -8.682 0.126 6.306 1.00 0.00 H new ATOM 0 HG LEU A -9 -6.019 -0.766 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -5.312 -1.368 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -6.643 -2.408 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -6.969 -1.084 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -5.158 0.984 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -6.816 1.293 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -6.374 1.648 7.047 1.00 0.00 H new ATOM 312 N TYR A -8 -10.280 -0.790 9.493 1.00 0.00 N ATOM 313 CA TYR A -8 -11.711 -0.728 9.920 1.00 0.00 C ATOM 314 C TYR A -8 -11.866 0.146 11.170 1.00 0.00 C ATOM 315 O TYR A -8 -12.963 0.429 11.614 1.00 0.00 O ATOM 316 CB TYR A -8 -12.086 -2.179 10.223 1.00 0.00 C ATOM 317 CG TYR A -8 -13.590 -2.335 10.234 1.00 0.00 C ATOM 318 CD1 TYR A -8 -14.288 -2.460 9.027 1.00 0.00 C ATOM 319 CD2 TYR A -8 -14.283 -2.361 11.451 1.00 0.00 C ATOM 320 CE1 TYR A -8 -15.678 -2.612 9.037 1.00 0.00 C ATOM 321 CE2 TYR A -8 -15.671 -2.512 11.460 1.00 0.00 C ATOM 322 CZ TYR A -8 -16.369 -2.637 10.255 1.00 0.00 C ATOM 323 OH TYR A -8 -17.738 -2.785 10.266 1.00 0.00 O ATOM 0 H TYR A -8 -9.785 -1.638 9.769 1.00 0.00 H new ATOM 0 HA TYR A -8 -12.352 -0.287 9.157 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -11.649 -2.840 9.474 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -11.675 -2.475 11.188 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -13.753 -2.439 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -13.744 -2.264 12.382 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -16.218 -2.710 8.107 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -16.206 -2.532 12.398 1.00 0.00 H new ATOM 0 HH TYR A -8 -18.060 -2.783 11.192 1.00 0.00 H new ATOM 333 N PHE A -7 -10.776 0.587 11.721 1.00 0.00 N ATOM 334 CA PHE A -7 -10.835 1.463 12.928 1.00 0.00 C ATOM 335 C PHE A -7 -10.850 2.922 12.474 1.00 0.00 C ATOM 336 O PHE A -7 -11.703 3.695 12.858 1.00 0.00 O ATOM 337 CB PHE A -7 -9.561 1.153 13.729 1.00 0.00 C ATOM 338 CG PHE A -7 -9.857 1.164 15.211 1.00 0.00 C ATOM 339 CD1 PHE A -7 -10.733 2.115 15.756 1.00 0.00 C ATOM 340 CD2 PHE A -7 -9.245 0.223 16.044 1.00 0.00 C ATOM 341 CE1 PHE A -7 -10.995 2.116 17.132 1.00 0.00 C ATOM 342 CE2 PHE A -7 -9.505 0.227 17.418 1.00 0.00 C ATOM 343 CZ PHE A -7 -10.381 1.174 17.962 1.00 0.00 C ATOM 0 H PHE A -7 -9.835 0.379 11.387 1.00 0.00 H new ATOM 0 HA PHE A -7 -11.725 1.291 13.534 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -9.168 0.179 13.437 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -8.791 1.890 13.500 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -11.205 2.845 15.115 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -8.570 -0.509 15.626 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -11.672 2.845 17.552 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -9.030 -0.500 18.060 1.00 0.00 H new ATOM 0 HZ PHE A -7 -10.582 1.177 19.023 1.00 0.00 H new ATOM 353 N GLN A -6 -9.914 3.291 11.637 1.00 0.00 N ATOM 354 CA GLN A -6 -9.860 4.690 11.116 1.00 0.00 C ATOM 355 C GLN A -6 -10.189 4.674 9.618 1.00 0.00 C ATOM 356 O GLN A -6 -9.454 5.194 8.794 1.00 0.00 O ATOM 357 CB GLN A -6 -8.419 5.165 11.356 1.00 0.00 C ATOM 358 CG GLN A -6 -8.087 5.084 12.851 1.00 0.00 C ATOM 359 CD GLN A -6 -6.782 5.832 13.141 1.00 0.00 C ATOM 360 OE1 GLN A -6 -6.033 6.163 12.238 1.00 0.00 O ATOM 361 NE2 GLN A -6 -6.476 6.114 14.370 1.00 0.00 N ATOM 0 H GLN A -6 -9.178 2.676 11.289 1.00 0.00 H new ATOM 0 HA GLN A -6 -10.574 5.352 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -7.724 4.549 10.786 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -8.301 6.189 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -8.900 5.514 13.436 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -7.993 4.041 13.155 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -7.101 5.838 15.127 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -5.610 6.612 14.579 1.00 0.00 H new ATOM 370 N GLY A -5 -11.285 4.055 9.259 1.00 0.00 N ATOM 371 CA GLY A -5 -11.665 3.972 7.821 1.00 0.00 C ATOM 372 C GLY A -5 -12.451 5.218 7.412 1.00 0.00 C ATOM 373 O GLY A -5 -12.235 5.770 6.348 1.00 0.00 O ATOM 0 H GLY A -5 -11.933 3.603 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -10.770 3.879 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -12.266 3.080 7.647 1.00 0.00 H new ATOM 377 N ALA A -4 -13.366 5.663 8.241 1.00 0.00 N ATOM 378 CA ALA A -4 -14.172 6.876 7.895 1.00 0.00 C ATOM 379 C ALA A -4 -13.280 8.120 7.871 1.00 0.00 C ATOM 380 O ALA A -4 -13.260 8.904 8.806 1.00 0.00 O ATOM 381 CB ALA A -4 -15.233 6.989 8.995 1.00 0.00 C ATOM 0 H ALA A -4 -13.589 5.239 9.141 1.00 0.00 H new ATOM 0 HA ALA A -4 -14.626 6.796 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -15.862 7.859 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -15.849 6.090 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -14.744 7.099 9.963 1.00 0.00 H new ATOM 387 N MET A -3 -12.541 8.305 6.811 1.00 0.00 N ATOM 388 CA MET A -3 -11.647 9.501 6.713 1.00 0.00 C ATOM 389 C MET A -3 -12.272 10.550 5.776 1.00 0.00 C ATOM 390 O MET A -3 -13.470 10.540 5.541 1.00 0.00 O ATOM 391 CB MET A -3 -10.306 8.972 6.177 1.00 0.00 C ATOM 392 CG MET A -3 -10.478 8.419 4.757 1.00 0.00 C ATOM 393 SD MET A -3 -9.088 7.328 4.307 1.00 0.00 S ATOM 394 CE MET A -3 -8.676 6.670 5.943 1.00 0.00 C ATOM 0 H MET A -3 -12.516 7.680 6.005 1.00 0.00 H new ATOM 0 HA MET A -3 -11.505 9.998 7.673 1.00 0.00 H new ATOM 0 HB2 MET A -3 -9.567 9.773 6.175 1.00 0.00 H new ATOM 0 HB3 MET A -3 -9.927 8.190 6.835 1.00 0.00 H new ATOM 0 HG2 MET A -3 -11.415 7.866 4.689 1.00 0.00 H new ATOM 0 HG3 MET A -3 -10.542 9.244 4.047 1.00 0.00 H new ATOM 0 HE1 MET A -3 -8.064 5.775 5.832 1.00 0.00 H new ATOM 0 HE2 MET A -3 -8.123 7.420 6.508 1.00 0.00 H new ATOM 0 HE3 MET A -3 -9.593 6.418 6.475 1.00 0.00 H new ATOM 404 N GLY A -2 -11.487 11.465 5.258 1.00 0.00 N ATOM 405 CA GLY A -2 -12.042 12.532 4.364 1.00 0.00 C ATOM 406 C GLY A -2 -12.400 11.981 2.977 1.00 0.00 C ATOM 407 O GLY A -2 -11.971 12.516 1.976 1.00 0.00 O ATOM 0 H GLY A -2 -10.481 11.519 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.930 12.966 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -11.312 13.335 4.259 1.00 0.00 H new ATOM 411 N SER A -1 -13.205 10.938 2.920 1.00 0.00 N ATOM 412 CA SER A -1 -13.647 10.341 1.608 1.00 0.00 C ATOM 413 C SER A -1 -12.616 10.565 0.490 1.00 0.00 C ATOM 414 O SER A -1 -12.840 11.325 -0.437 1.00 0.00 O ATOM 415 CB SER A -1 -14.967 11.049 1.285 1.00 0.00 C ATOM 416 OG SER A -1 -15.972 10.605 2.196 1.00 0.00 O ATOM 0 H SER A -1 -13.581 10.467 3.743 1.00 0.00 H new ATOM 0 HA SER A -1 -13.757 9.259 1.681 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.842 12.129 1.360 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.268 10.834 0.260 1.00 0.00 H new ATOM 0 HG SER A -1 -16.818 11.056 1.995 1.00 0.00 H new ATOM 422 N GLY A 1 -11.493 9.908 0.560 1.00 0.00 N ATOM 423 CA GLY A 1 -10.466 10.088 -0.506 1.00 0.00 C ATOM 424 C GLY A 1 -10.498 8.884 -1.449 1.00 0.00 C ATOM 425 O GLY A 1 -11.169 7.905 -1.181 1.00 0.00 O ATOM 0 H GLY A 1 -11.241 9.257 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.660 11.005 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.476 10.189 -0.060 1.00 0.00 H new ATOM 429 N PRO A 2 -9.759 8.993 -2.522 1.00 0.00 N ATOM 430 CA PRO A 2 -9.691 7.898 -3.530 1.00 0.00 C ATOM 431 C PRO A 2 -9.093 6.617 -2.935 1.00 0.00 C ATOM 432 O PRO A 2 -9.364 5.530 -3.404 1.00 0.00 O ATOM 433 CB PRO A 2 -8.798 8.481 -4.630 1.00 0.00 C ATOM 434 CG PRO A 2 -7.996 9.538 -3.943 1.00 0.00 C ATOM 435 CD PRO A 2 -8.909 10.131 -2.904 1.00 0.00 C ATOM 0 HA PRO A 2 -10.673 7.601 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.155 7.716 -5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.392 8.899 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.103 9.115 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.662 10.297 -4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.352 10.522 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.496 10.956 -3.307 1.00 0.00 H new ATOM 443 N CYS A 3 -8.292 6.731 -1.911 1.00 0.00 N ATOM 444 CA CYS A 3 -7.691 5.509 -1.303 1.00 0.00 C ATOM 445 C CYS A 3 -8.706 4.809 -0.391 1.00 0.00 C ATOM 446 O CYS A 3 -8.827 3.596 -0.413 1.00 0.00 O ATOM 447 CB CYS A 3 -6.476 6.003 -0.508 1.00 0.00 C ATOM 448 SG CYS A 3 -5.571 4.594 0.169 1.00 0.00 S ATOM 0 H CYS A 3 -8.028 7.612 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.400 4.777 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.822 6.590 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.801 6.660 0.299 1.00 0.00 H new ATOM 453 N ARG A 4 -9.439 5.550 0.412 1.00 0.00 N ATOM 454 CA ARG A 4 -10.437 4.897 1.322 1.00 0.00 C ATOM 455 C ARG A 4 -11.414 4.033 0.518 1.00 0.00 C ATOM 456 O ARG A 4 -11.655 2.884 0.856 1.00 0.00 O ATOM 457 CB ARG A 4 -11.191 6.047 1.999 1.00 0.00 C ATOM 458 CG ARG A 4 -11.592 5.628 3.416 1.00 0.00 C ATOM 459 CD ARG A 4 -12.751 4.623 3.372 1.00 0.00 C ATOM 460 NE ARG A 4 -12.293 3.471 4.203 1.00 0.00 N ATOM 461 CZ ARG A 4 -12.819 2.292 4.026 1.00 0.00 C ATOM 462 NH1 ARG A 4 -12.630 1.671 2.896 1.00 0.00 N ATOM 463 NH2 ARG A 4 -13.537 1.739 4.975 1.00 0.00 N ATOM 0 H ARG A 4 -9.390 6.567 0.476 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.949 4.244 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.563 6.937 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.077 6.306 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.737 5.184 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.886 6.506 3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.667 5.059 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.965 4.312 2.350 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.569 3.606 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.075 2.108 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.037 0.748 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.685 2.232 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.947 0.816 4.832 1.00 0.00 H new ATOM 477 N ARG A 5 -11.962 4.566 -0.544 1.00 0.00 N ATOM 478 CA ARG A 5 -12.915 3.763 -1.373 1.00 0.00 C ATOM 479 C ARG A 5 -12.154 2.645 -2.088 1.00 0.00 C ATOM 480 O ARG A 5 -12.652 1.544 -2.246 1.00 0.00 O ATOM 481 CB ARG A 5 -13.553 4.745 -2.368 1.00 0.00 C ATOM 482 CG ARG A 5 -12.495 5.345 -3.305 1.00 0.00 C ATOM 483 CD ARG A 5 -12.831 6.817 -3.608 1.00 0.00 C ATOM 484 NE ARG A 5 -14.292 6.845 -3.890 1.00 0.00 N ATOM 485 CZ ARG A 5 -14.712 7.005 -5.112 1.00 0.00 C ATOM 486 NH1 ARG A 5 -14.610 8.181 -5.681 1.00 0.00 N ATOM 487 NH2 ARG A 5 -15.199 5.984 -5.771 1.00 0.00 N ATOM 0 H ARG A 5 -11.793 5.517 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.687 3.285 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.314 4.230 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.057 5.544 -1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.509 5.276 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.454 4.775 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.583 7.458 -2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.260 7.181 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.962 6.739 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.204 8.963 -5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.937 8.315 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.248 5.067 -5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.529 6.105 -6.728 1.00 0.00 H new ATOM 501 N HIS A 6 -10.937 2.907 -2.498 1.00 0.00 N ATOM 502 CA HIS A 6 -10.129 1.853 -3.173 1.00 0.00 C ATOM 503 C HIS A 6 -9.911 0.691 -2.196 1.00 0.00 C ATOM 504 O HIS A 6 -10.038 -0.461 -2.553 1.00 0.00 O ATOM 505 CB HIS A 6 -8.796 2.529 -3.517 1.00 0.00 C ATOM 506 CG HIS A 6 -8.049 1.732 -4.553 1.00 0.00 C ATOM 507 ND1 HIS A 6 -6.995 2.274 -5.269 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.173 0.436 -4.989 1.00 0.00 C ATOM 509 CE1 HIS A 6 -6.528 1.317 -6.089 1.00 0.00 C ATOM 510 NE2 HIS A 6 -7.210 0.176 -5.960 1.00 0.00 N ATOM 0 H HIS A 6 -10.471 3.808 -2.393 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.612 1.451 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.979 3.537 -3.888 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.188 2.626 -2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.906 -0.273 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.701 1.454 -6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.058 -0.698 -6.464 1.00 0.00 H new ATOM 518 N LEU A 7 -9.590 0.998 -0.957 1.00 0.00 N ATOM 519 CA LEU A 7 -9.364 -0.083 0.058 1.00 0.00 C ATOM 520 C LEU A 7 -10.620 -0.951 0.188 1.00 0.00 C ATOM 521 O LEU A 7 -10.550 -2.161 0.113 1.00 0.00 O ATOM 522 CB LEU A 7 -9.063 0.644 1.380 1.00 0.00 C ATOM 523 CG LEU A 7 -7.616 0.374 1.809 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.335 1.076 3.142 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.408 -1.136 1.977 1.00 0.00 C ATOM 0 H LEU A 7 -9.475 1.949 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.546 -0.745 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.221 1.716 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.750 0.305 2.155 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.936 0.756 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.306 0.883 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.484 2.150 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.015 0.696 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.380 -1.330 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.090 -1.515 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.606 -1.638 1.030 1.00 0.00 H new ATOM 537 N ASP A 8 -11.772 -0.346 0.361 1.00 0.00 N ATOM 538 CA ASP A 8 -13.027 -1.160 0.472 1.00 0.00 C ATOM 539 C ASP A 8 -13.199 -1.988 -0.801 1.00 0.00 C ATOM 540 O ASP A 8 -13.537 -3.153 -0.756 1.00 0.00 O ATOM 541 CB ASP A 8 -14.174 -0.156 0.625 1.00 0.00 C ATOM 542 CG ASP A 8 -15.007 -0.537 1.846 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.910 -1.335 1.699 1.00 0.00 O ATOM 544 OD2 ASP A 8 -14.724 -0.025 2.913 1.00 0.00 O ATOM 0 H ASP A 8 -11.898 0.664 0.430 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.001 -1.847 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.778 0.853 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.796 -0.155 -0.270 1.00 0.00 H new ATOM 549 N SER A 9 -12.930 -1.393 -1.933 1.00 0.00 N ATOM 550 CA SER A 9 -13.031 -2.130 -3.226 1.00 0.00 C ATOM 551 C SER A 9 -12.040 -3.297 -3.191 1.00 0.00 C ATOM 552 O SER A 9 -12.396 -4.425 -3.464 1.00 0.00 O ATOM 553 CB SER A 9 -12.651 -1.110 -4.307 1.00 0.00 C ATOM 554 OG SER A 9 -13.496 0.039 -4.205 1.00 0.00 O ATOM 0 H SER A 9 -12.642 -0.418 -2.017 1.00 0.00 H new ATOM 0 HA SER A 9 -14.023 -2.539 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.607 -0.817 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.750 -1.559 -5.295 1.00 0.00 H new ATOM 0 HG SER A 9 -13.001 0.773 -3.784 1.00 0.00 H new ATOM 560 N VAL A 10 -10.811 -3.033 -2.817 1.00 0.00 N ATOM 561 CA VAL A 10 -9.796 -4.125 -2.717 1.00 0.00 C ATOM 562 C VAL A 10 -10.270 -5.139 -1.675 1.00 0.00 C ATOM 563 O VAL A 10 -10.216 -6.330 -1.889 1.00 0.00 O ATOM 564 CB VAL A 10 -8.500 -3.438 -2.263 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.441 -4.493 -1.935 1.00 0.00 C ATOM 566 CG2 VAL A 10 -7.977 -2.538 -3.385 1.00 0.00 C ATOM 0 H VAL A 10 -10.467 -2.103 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.646 -4.657 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.707 -2.840 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.524 -4.000 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.806 -5.138 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.239 -5.093 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.057 -2.051 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.777 -3.140 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.724 -1.781 -3.622 1.00 0.00 H new ATOM 576 N LEU A 11 -10.752 -4.665 -0.557 1.00 0.00 N ATOM 577 CA LEU A 11 -11.252 -5.591 0.498 1.00 0.00 C ATOM 578 C LEU A 11 -12.354 -6.461 -0.093 1.00 0.00 C ATOM 579 O LEU A 11 -12.329 -7.675 -0.005 1.00 0.00 O ATOM 580 CB LEU A 11 -11.847 -4.676 1.577 1.00 0.00 C ATOM 581 CG LEU A 11 -11.549 -5.229 2.969 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.957 -6.704 3.061 1.00 0.00 C ATOM 583 CD2 LEU A 11 -10.053 -5.098 3.245 1.00 0.00 C ATOM 0 H LEU A 11 -10.821 -3.673 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.472 -6.241 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.432 -3.673 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.924 -4.590 1.436 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.119 -4.664 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.737 -7.081 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.025 -6.799 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.399 -7.282 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.830 -5.490 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.494 -5.662 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.765 -4.048 3.197 1.00 0.00 H new ATOM 595 N GLN A 12 -13.314 -5.837 -0.709 1.00 0.00 N ATOM 596 CA GLN A 12 -14.431 -6.606 -1.338 1.00 0.00 C ATOM 597 C GLN A 12 -13.897 -7.476 -2.488 1.00 0.00 C ATOM 598 O GLN A 12 -14.267 -8.620 -2.633 1.00 0.00 O ATOM 599 CB GLN A 12 -15.389 -5.542 -1.886 1.00 0.00 C ATOM 600 CG GLN A 12 -16.088 -4.816 -0.734 1.00 0.00 C ATOM 601 CD GLN A 12 -16.957 -3.689 -1.299 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.677 -3.886 -2.256 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.926 -2.511 -0.743 1.00 0.00 N ATOM 0 H GLN A 12 -13.378 -4.824 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.919 -7.273 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.838 -4.826 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.130 -6.009 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.703 -5.516 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.349 -4.410 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.322 -2.342 0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.506 -1.757 -1.112 1.00 0.00 H new ATOM 612 N GLN A 13 -13.050 -6.929 -3.316 1.00 0.00 N ATOM 613 CA GLN A 13 -12.499 -7.703 -4.476 1.00 0.00 C ATOM 614 C GLN A 13 -11.479 -8.772 -4.045 1.00 0.00 C ATOM 615 O GLN A 13 -11.343 -9.784 -4.687 1.00 0.00 O ATOM 616 CB GLN A 13 -11.801 -6.662 -5.359 1.00 0.00 C ATOM 617 CG GLN A 13 -12.768 -6.146 -6.427 1.00 0.00 C ATOM 618 CD GLN A 13 -12.249 -4.819 -6.982 1.00 0.00 C ATOM 619 OE1 GLN A 13 -11.125 -4.735 -7.439 1.00 0.00 O ATOM 620 NE2 GLN A 13 -13.015 -3.767 -6.957 1.00 0.00 N ATOM 0 H GLN A 13 -12.710 -5.970 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.300 -8.238 -4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.447 -5.833 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.925 -7.105 -5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.864 -6.876 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.761 -6.011 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.958 -3.832 -6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.672 -2.878 -7.320 1.00 0.00 H new ATOM 629 N LEU A 14 -10.719 -8.524 -3.015 1.00 0.00 N ATOM 630 CA LEU A 14 -9.638 -9.487 -2.607 1.00 0.00 C ATOM 631 C LEU A 14 -10.103 -10.944 -2.491 1.00 0.00 C ATOM 632 O LEU A 14 -9.406 -11.841 -2.932 1.00 0.00 O ATOM 633 CB LEU A 14 -9.149 -8.993 -1.243 1.00 0.00 C ATOM 634 CG LEU A 14 -7.749 -8.392 -1.396 1.00 0.00 C ATOM 635 CD1 LEU A 14 -7.242 -7.924 -0.031 1.00 0.00 C ATOM 636 CD2 LEU A 14 -6.797 -9.452 -1.972 1.00 0.00 C ATOM 0 H LEU A 14 -10.795 -7.692 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.863 -9.501 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.837 -8.246 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.128 -9.818 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.789 -7.540 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.245 -7.496 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.919 -7.169 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.200 -8.772 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.800 -9.025 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.753 -10.307 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.161 -9.777 -2.947 1.00 0.00 H new ATOM 648 N GLN A 15 -11.232 -11.216 -1.900 1.00 0.00 N ATOM 649 CA GLN A 15 -11.658 -12.649 -1.783 1.00 0.00 C ATOM 650 C GLN A 15 -12.216 -13.167 -3.121 1.00 0.00 C ATOM 651 O GLN A 15 -12.239 -14.360 -3.373 1.00 0.00 O ATOM 652 CB GLN A 15 -12.693 -12.705 -0.634 1.00 0.00 C ATOM 653 CG GLN A 15 -14.126 -12.764 -1.172 1.00 0.00 C ATOM 654 CD GLN A 15 -14.609 -11.352 -1.495 1.00 0.00 C ATOM 655 OE1 GLN A 15 -15.102 -11.106 -2.575 1.00 0.00 O ATOM 656 NE2 GLN A 15 -14.498 -10.413 -0.601 1.00 0.00 N ATOM 0 H GLN A 15 -11.870 -10.529 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.818 -13.304 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.501 -13.579 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.578 -11.828 0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.164 -13.386 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.784 -13.225 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.083 -10.620 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.826 -9.470 -0.809 1.00 0.00 H new ATOM 665 N THR A 16 -12.651 -12.291 -3.983 1.00 0.00 N ATOM 666 CA THR A 16 -13.194 -12.728 -5.296 1.00 0.00 C ATOM 667 C THR A 16 -12.099 -12.627 -6.364 1.00 0.00 C ATOM 668 O THR A 16 -12.058 -13.398 -7.308 1.00 0.00 O ATOM 669 CB THR A 16 -14.326 -11.739 -5.575 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.459 -12.086 -4.793 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.693 -11.775 -7.052 1.00 0.00 C ATOM 0 H THR A 16 -12.653 -11.282 -3.831 1.00 0.00 H new ATOM 0 HA THR A 16 -13.542 -13.761 -5.300 1.00 0.00 H new ATOM 0 HB THR A 16 -13.998 -10.733 -5.314 1.00 0.00 H new ATOM 0 HG1 THR A 16 -15.232 -12.022 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.500 -11.068 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.823 -11.503 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.019 -12.780 -7.322 1.00 0.00 H new ATOM 679 N GLU A 17 -11.211 -11.683 -6.217 1.00 0.00 N ATOM 680 CA GLU A 17 -10.115 -11.518 -7.209 1.00 0.00 C ATOM 681 C GLU A 17 -8.894 -12.320 -6.771 1.00 0.00 C ATOM 682 O GLU A 17 -7.771 -11.853 -6.865 1.00 0.00 O ATOM 683 CB GLU A 17 -9.795 -10.019 -7.230 1.00 0.00 C ATOM 684 CG GLU A 17 -10.969 -9.242 -7.836 1.00 0.00 C ATOM 685 CD GLU A 17 -10.585 -8.671 -9.205 1.00 0.00 C ATOM 686 OE1 GLU A 17 -9.414 -8.417 -9.429 1.00 0.00 O ATOM 687 OE2 GLU A 17 -11.476 -8.493 -10.011 1.00 0.00 O ATOM 0 H GLU A 17 -11.199 -11.015 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.402 -11.877 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.598 -9.666 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.891 -9.840 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.833 -9.899 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.261 -8.433 -7.167 1.00 0.00 H new ATOM 694 N VAL A 18 -9.099 -13.518 -6.288 1.00 0.00 N ATOM 695 CA VAL A 18 -7.935 -14.345 -5.838 1.00 0.00 C ATOM 696 C VAL A 18 -6.871 -14.416 -6.925 1.00 0.00 C ATOM 697 O VAL A 18 -5.696 -14.495 -6.635 1.00 0.00 O ATOM 698 CB VAL A 18 -8.483 -15.742 -5.531 1.00 0.00 C ATOM 699 CG1 VAL A 18 -7.321 -16.740 -5.481 1.00 0.00 C ATOM 700 CG2 VAL A 18 -9.181 -15.729 -4.172 1.00 0.00 C ATOM 0 H VAL A 18 -10.013 -13.958 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.463 -13.906 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.192 -16.032 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.706 -17.736 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.810 -16.752 -6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.620 -16.443 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.571 -16.723 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.468 -15.441 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.003 -15.013 -4.192 1.00 0.00 H new ATOM 710 N TYR A 19 -7.256 -14.372 -8.164 1.00 0.00 N ATOM 711 CA TYR A 19 -6.215 -14.422 -9.250 1.00 0.00 C ATOM 712 C TYR A 19 -5.172 -13.363 -8.952 1.00 0.00 C ATOM 713 O TYR A 19 -3.981 -13.589 -9.001 1.00 0.00 O ATOM 714 CB TYR A 19 -6.882 -14.160 -10.627 1.00 0.00 C ATOM 715 CG TYR A 19 -8.333 -13.742 -10.504 1.00 0.00 C ATOM 716 CD1 TYR A 19 -9.339 -14.715 -10.487 1.00 0.00 C ATOM 717 CD2 TYR A 19 -8.670 -12.387 -10.407 1.00 0.00 C ATOM 718 CE1 TYR A 19 -10.679 -14.335 -10.368 1.00 0.00 C ATOM 719 CE2 TYR A 19 -10.010 -12.006 -10.286 1.00 0.00 C ATOM 720 CZ TYR A 19 -11.017 -12.981 -10.269 1.00 0.00 C ATOM 721 OH TYR A 19 -12.336 -12.609 -10.141 1.00 0.00 O ATOM 0 H TYR A 19 -8.223 -14.305 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.743 -15.404 -9.284 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.328 -13.383 -11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.819 -15.063 -11.234 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.080 -15.760 -10.566 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.895 -11.635 -10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.454 -15.087 -10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.269 -10.961 -10.206 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.632 -12.766 -9.220 1.00 0.00 H new ATOM 731 N ARG A 20 -5.645 -12.233 -8.589 1.00 0.00 N ATOM 732 CA ARG A 20 -4.751 -11.104 -8.202 1.00 0.00 C ATOM 733 C ARG A 20 -4.398 -11.229 -6.717 1.00 0.00 C ATOM 734 O ARG A 20 -3.257 -11.143 -6.326 1.00 0.00 O ATOM 735 CB ARG A 20 -5.563 -9.822 -8.460 1.00 0.00 C ATOM 736 CG ARG A 20 -5.261 -9.295 -9.866 1.00 0.00 C ATOM 737 CD ARG A 20 -6.073 -10.084 -10.892 1.00 0.00 C ATOM 738 NE ARG A 20 -7.348 -9.323 -11.064 1.00 0.00 N ATOM 739 CZ ARG A 20 -7.665 -8.842 -12.234 1.00 0.00 C ATOM 740 NH1 ARG A 20 -8.072 -9.645 -13.187 1.00 0.00 N ATOM 741 NH2 ARG A 20 -7.552 -7.563 -12.459 1.00 0.00 N ATOM 0 H ARG A 20 -6.641 -12.021 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.818 -11.098 -8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.629 -10.028 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.313 -9.066 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.507 -8.235 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.196 -9.388 -10.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.536 -10.168 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.266 -11.099 -10.543 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.969 -9.180 -10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.141 -10.648 -13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.320 -9.267 -14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.217 -6.943 -11.722 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.799 -7.182 -13.372 1.00 0.00 H new ATOM 755 N GLY A 21 -5.396 -11.431 -5.901 1.00 0.00 N ATOM 756 CA GLY A 21 -5.196 -11.554 -4.416 1.00 0.00 C ATOM 757 C GLY A 21 -4.167 -12.626 -4.081 1.00 0.00 C ATOM 758 O GLY A 21 -3.349 -12.457 -3.197 1.00 0.00 O ATOM 0 H GLY A 21 -6.367 -11.519 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.871 -10.596 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.145 -11.797 -3.938 1.00 0.00 H new ATOM 762 N ALA A 22 -4.207 -13.733 -4.760 1.00 0.00 N ATOM 763 CA ALA A 22 -3.242 -14.823 -4.465 1.00 0.00 C ATOM 764 C ALA A 22 -1.825 -14.429 -4.886 1.00 0.00 C ATOM 765 O ALA A 22 -0.859 -14.890 -4.301 1.00 0.00 O ATOM 766 CB ALA A 22 -3.710 -16.027 -5.294 1.00 0.00 C ATOM 0 H ALA A 22 -4.869 -13.931 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.212 -15.041 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.040 -16.869 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.722 -16.302 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.701 -15.766 -6.352 1.00 0.00 H new ATOM 772 N GLN A 23 -1.673 -13.626 -5.911 1.00 0.00 N ATOM 773 CA GLN A 23 -0.291 -13.288 -6.365 1.00 0.00 C ATOM 774 C GLN A 23 0.120 -11.831 -6.150 1.00 0.00 C ATOM 775 O GLN A 23 1.256 -11.550 -5.816 1.00 0.00 O ATOM 776 CB GLN A 23 -0.273 -13.606 -7.859 1.00 0.00 C ATOM 777 CG GLN A 23 -0.419 -15.116 -8.083 1.00 0.00 C ATOM 778 CD GLN A 23 -1.503 -15.366 -9.132 1.00 0.00 C ATOM 779 OE1 GLN A 23 -1.485 -14.773 -10.192 1.00 0.00 O ATOM 780 NE2 GLN A 23 -2.456 -16.218 -8.880 1.00 0.00 N ATOM 0 H GLN A 23 -2.431 -13.198 -6.443 1.00 0.00 H new ATOM 0 HA GLN A 23 0.423 -13.862 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.084 -13.077 -8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.659 -13.254 -8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.529 -15.540 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.680 -15.611 -7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.472 -16.717 -7.990 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.186 -16.386 -9.572 1.00 0.00 H new ATOM 789 N THR A 24 -0.737 -10.906 -6.431 1.00 0.00 N ATOM 790 CA THR A 24 -0.312 -9.473 -6.329 1.00 0.00 C ATOM 791 C THR A 24 -1.478 -8.464 -6.296 1.00 0.00 C ATOM 792 O THR A 24 -1.410 -7.421 -6.922 1.00 0.00 O ATOM 793 CB THR A 24 0.588 -9.283 -7.547 1.00 0.00 C ATOM 794 OG1 THR A 24 1.161 -7.983 -7.553 1.00 0.00 O ATOM 795 CG2 THR A 24 -0.213 -9.515 -8.824 1.00 0.00 C ATOM 0 H THR A 24 -1.701 -11.063 -6.724 1.00 0.00 H new ATOM 0 HA THR A 24 0.192 -9.274 -5.383 1.00 0.00 H new ATOM 0 HB THR A 24 1.398 -10.010 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.843 -7.929 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.435 -9.378 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.610 -10.530 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.037 -8.803 -8.871 1.00 0.00 H new ATOM 803 N LEU A 25 -2.537 -8.732 -5.596 1.00 0.00 N ATOM 804 CA LEU A 25 -3.650 -7.738 -5.578 1.00 0.00 C ATOM 805 C LEU A 25 -3.208 -6.565 -4.720 1.00 0.00 C ATOM 806 O LEU A 25 -2.691 -6.719 -3.629 1.00 0.00 O ATOM 807 CB LEU A 25 -4.858 -8.435 -4.960 1.00 0.00 C ATOM 808 CG LEU A 25 -6.138 -7.754 -5.450 1.00 0.00 C ATOM 809 CD1 LEU A 25 -7.255 -8.791 -5.574 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.560 -6.673 -4.451 1.00 0.00 C ATOM 0 H LEU A 25 -2.685 -9.577 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.904 -7.374 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.865 -9.490 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.802 -8.390 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.953 -7.299 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.166 -8.305 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.959 -9.561 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.437 -9.247 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.472 -6.189 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.742 -7.128 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.767 -5.931 -4.361 1.00 0.00 H new ATOM 822 N TYR A 26 -3.337 -5.401 -5.263 1.00 0.00 N ATOM 823 CA TYR A 26 -2.853 -4.174 -4.579 1.00 0.00 C ATOM 824 C TYR A 26 -3.736 -3.744 -3.398 1.00 0.00 C ATOM 825 O TYR A 26 -4.947 -3.666 -3.493 1.00 0.00 O ATOM 826 CB TYR A 26 -2.877 -3.100 -5.675 1.00 0.00 C ATOM 827 CG TYR A 26 -2.754 -1.739 -5.048 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.541 -1.340 -4.491 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.861 -0.887 -5.014 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.429 -0.080 -3.903 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.749 0.376 -4.427 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.532 0.779 -3.866 1.00 0.00 C ATOM 833 OH TYR A 26 -2.417 2.016 -3.269 1.00 0.00 O ATOM 0 H TYR A 26 -3.767 -5.238 -6.174 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.868 -4.340 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.059 -3.264 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.804 -3.167 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.690 -2.004 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.801 -1.204 -5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.488 0.233 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.600 1.040 -4.406 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.421 2.713 -3.958 1.00 0.00 H new ATOM 843 N VAL A 27 -3.097 -3.406 -2.305 1.00 0.00 N ATOM 844 CA VAL A 27 -3.818 -2.908 -1.098 1.00 0.00 C ATOM 845 C VAL A 27 -3.266 -1.505 -0.768 1.00 0.00 C ATOM 846 O VAL A 27 -2.091 -1.356 -0.467 1.00 0.00 O ATOM 847 CB VAL A 27 -3.503 -3.921 0.014 1.00 0.00 C ATOM 848 CG1 VAL A 27 -3.822 -3.316 1.382 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.352 -5.176 -0.177 1.00 0.00 C ATOM 0 H VAL A 27 -2.084 -3.457 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.896 -2.821 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.444 -4.175 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.595 -4.042 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.219 -2.420 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.879 -3.054 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.126 -5.892 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.408 -4.911 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.128 -5.622 -1.146 1.00 0.00 H new ATOM 859 N PRO A 28 -4.117 -0.517 -0.888 1.00 0.00 N ATOM 860 CA PRO A 28 -3.703 0.887 -0.657 1.00 0.00 C ATOM 861 C PRO A 28 -3.736 1.293 0.823 1.00 0.00 C ATOM 862 O PRO A 28 -4.621 0.923 1.571 1.00 0.00 O ATOM 863 CB PRO A 28 -4.739 1.681 -1.448 1.00 0.00 C ATOM 864 CG PRO A 28 -5.956 0.804 -1.540 1.00 0.00 C ATOM 865 CD PRO A 28 -5.532 -0.616 -1.252 1.00 0.00 C ATOM 0 HA PRO A 28 -2.671 1.058 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.973 2.621 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.363 1.932 -2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.713 1.128 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.402 0.875 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.120 -1.048 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.673 -1.255 -2.124 1.00 0.00 H new ATOM 873 N ASN A 29 -2.788 2.101 1.226 1.00 0.00 N ATOM 874 CA ASN A 29 -2.757 2.600 2.635 1.00 0.00 C ATOM 875 C ASN A 29 -3.247 4.052 2.623 1.00 0.00 C ATOM 876 O ASN A 29 -2.711 4.873 1.901 1.00 0.00 O ATOM 877 CB ASN A 29 -1.284 2.529 3.051 1.00 0.00 C ATOM 878 CG ASN A 29 -1.166 2.555 4.576 1.00 0.00 C ATOM 879 OD1 ASN A 29 -0.726 1.595 5.176 1.00 0.00 O ATOM 880 ND2 ASN A 29 -1.525 3.621 5.235 1.00 0.00 N ATOM 0 H ASN A 29 -2.029 2.439 0.635 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.383 2.028 3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.831 1.618 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.736 3.368 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.436 3.647 6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.895 4.429 4.735 1.00 0.00 H new ATOM 887 N CYS A 30 -4.268 4.385 3.366 1.00 0.00 N ATOM 888 CA CYS A 30 -4.781 5.792 3.309 1.00 0.00 C ATOM 889 C CYS A 30 -4.683 6.531 4.642 1.00 0.00 C ATOM 890 O CYS A 30 -4.767 5.952 5.706 1.00 0.00 O ATOM 891 CB CYS A 30 -6.257 5.663 2.921 1.00 0.00 C ATOM 892 SG CYS A 30 -6.518 4.186 1.903 1.00 0.00 S ATOM 0 H CYS A 30 -4.764 3.759 4.001 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.184 6.370 2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.872 5.606 3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.574 6.550 2.373 1.00 0.00 H new ATOM 897 N ASP A 31 -4.553 7.833 4.553 1.00 0.00 N ATOM 898 CA ASP A 31 -4.503 8.708 5.760 1.00 0.00 C ATOM 899 C ASP A 31 -5.873 9.378 5.920 1.00 0.00 C ATOM 900 O ASP A 31 -6.737 9.234 5.073 1.00 0.00 O ATOM 901 CB ASP A 31 -3.419 9.754 5.450 1.00 0.00 C ATOM 902 CG ASP A 31 -3.381 10.859 6.513 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.623 10.571 7.674 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.100 11.983 6.150 1.00 0.00 O ATOM 0 H ASP A 31 -4.478 8.336 3.669 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.277 8.169 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.446 9.266 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.608 10.196 4.472 1.00 0.00 H new ATOM 909 N HIS A 32 -6.074 10.108 6.980 1.00 0.00 N ATOM 910 CA HIS A 32 -7.380 10.805 7.208 1.00 0.00 C ATOM 911 C HIS A 32 -7.823 11.588 5.956 1.00 0.00 C ATOM 912 O HIS A 32 -8.994 11.851 5.773 1.00 0.00 O ATOM 913 CB HIS A 32 -7.117 11.770 8.368 1.00 0.00 C ATOM 914 CG HIS A 32 -7.063 11.005 9.668 1.00 0.00 C ATOM 915 ND1 HIS A 32 -7.850 11.348 10.752 1.00 0.00 N ATOM 916 CD2 HIS A 32 -6.324 9.916 10.071 1.00 0.00 C ATOM 917 CE1 HIS A 32 -7.570 10.485 11.747 1.00 0.00 C ATOM 918 NE2 HIS A 32 -6.646 9.594 11.386 1.00 0.00 N ATOM 0 H HIS A 32 -5.380 10.257 7.713 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.178 10.095 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.177 12.299 8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.903 12.524 8.411 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.604 9.392 9.460 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.038 10.511 12.720 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.259 8.839 11.952 1.00 0.00 H new ATOM 926 N ARG A 33 -6.904 11.940 5.085 1.00 0.00 N ATOM 927 CA ARG A 33 -7.290 12.688 3.834 1.00 0.00 C ATOM 928 C ARG A 33 -7.816 11.709 2.766 1.00 0.00 C ATOM 929 O ARG A 33 -8.103 12.095 1.651 1.00 0.00 O ATOM 930 CB ARG A 33 -6.033 13.410 3.289 1.00 0.00 C ATOM 931 CG ARG A 33 -4.964 13.632 4.364 1.00 0.00 C ATOM 932 CD ARG A 33 -5.467 14.636 5.413 1.00 0.00 C ATOM 933 NE ARG A 33 -4.255 15.407 5.818 1.00 0.00 N ATOM 934 CZ ARG A 33 -3.804 15.328 7.045 1.00 0.00 C ATOM 935 NH1 ARG A 33 -3.346 14.188 7.488 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.803 16.386 7.812 1.00 0.00 N ATOM 0 H ARG A 33 -5.908 11.745 5.182 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.075 13.407 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.607 12.824 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.326 14.373 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.719 12.685 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.048 14.003 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.232 15.292 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.914 14.126 6.266 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.777 15.997 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.342 13.369 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.993 14.117 8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.154 17.275 7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.451 16.323 8.767 1.00 0.00 H new ATOM 950 N GLY A 34 -7.944 10.449 3.094 1.00 0.00 N ATOM 951 CA GLY A 34 -8.447 9.449 2.101 1.00 0.00 C ATOM 952 C GLY A 34 -7.457 9.230 0.948 1.00 0.00 C ATOM 953 O GLY A 34 -7.719 8.441 0.059 1.00 0.00 O ATOM 0 H GLY A 34 -7.721 10.066 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.631 8.500 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.402 9.787 1.699 1.00 0.00 H new ATOM 957 N PHE A 35 -6.325 9.880 0.949 1.00 0.00 N ATOM 958 CA PHE A 35 -5.340 9.654 -0.156 1.00 0.00 C ATOM 959 C PHE A 35 -4.372 8.535 0.248 1.00 0.00 C ATOM 960 O PHE A 35 -4.280 8.191 1.416 1.00 0.00 O ATOM 961 CB PHE A 35 -4.570 10.975 -0.296 1.00 0.00 C ATOM 962 CG PHE A 35 -5.515 12.110 -0.619 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.485 11.953 -1.611 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.418 13.321 0.080 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.364 13.001 -1.902 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.300 14.370 -0.208 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.272 14.210 -1.203 1.00 0.00 C ATOM 0 H PHE A 35 -6.038 10.553 1.659 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.826 9.366 -1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.036 11.191 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.820 10.884 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.556 11.022 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.662 13.445 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.115 12.877 -2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.231 15.300 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.950 15.019 -1.431 1.00 0.00 H new ATOM 977 N TYR A 36 -3.619 7.997 -0.683 1.00 0.00 N ATOM 978 CA TYR A 36 -2.618 6.944 -0.307 1.00 0.00 C ATOM 979 C TYR A 36 -1.530 7.681 0.463 1.00 0.00 C ATOM 980 O TYR A 36 -0.756 8.403 -0.121 1.00 0.00 O ATOM 981 CB TYR A 36 -2.049 6.385 -1.627 1.00 0.00 C ATOM 982 CG TYR A 36 -3.158 5.958 -2.563 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.749 4.696 -2.428 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.589 6.824 -3.574 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.767 4.301 -3.304 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.608 6.428 -4.449 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.198 5.164 -4.313 1.00 0.00 C ATOM 988 OH TYR A 36 -6.204 4.766 -5.176 1.00 0.00 O ATOM 0 H TYR A 36 -3.652 8.236 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.030 6.129 0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.433 7.143 -2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.400 5.535 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.419 4.027 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.135 7.798 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.220 3.326 -3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.940 7.097 -5.229 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.528 3.879 -4.913 1.00 0.00 H new ATOM 998 N ARG A 37 -1.505 7.614 1.766 1.00 0.00 N ATOM 999 CA ARG A 37 -0.493 8.448 2.460 1.00 0.00 C ATOM 1000 C ARG A 37 0.924 7.874 2.391 1.00 0.00 C ATOM 1001 O ARG A 37 1.804 8.464 1.794 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.056 8.529 3.898 1.00 0.00 C ATOM 1003 CG ARG A 37 0.028 8.381 4.966 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.600 7.953 6.298 1.00 0.00 C ATOM 1005 NE ARG A 37 0.064 8.794 7.332 1.00 0.00 N ATOM 1006 CZ ARG A 37 -0.413 9.976 7.620 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -0.168 10.990 6.828 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -1.140 10.137 8.692 1.00 0.00 N ATOM 0 H ARG A 37 -2.113 7.045 2.355 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.360 9.427 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.564 9.484 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.804 7.748 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.764 7.643 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.557 9.326 5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.678 8.112 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.435 6.892 6.488 1.00 0.00 H new ATOM 0 HE ARG A 37 0.892 8.447 7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.394 10.856 5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.540 11.913 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.334 9.342 9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.514 11.058 8.921 1.00 0.00 H new ATOM 1022 N LYS A 38 1.162 6.763 2.995 1.00 0.00 N ATOM 1023 CA LYS A 38 2.521 6.182 2.960 1.00 0.00 C ATOM 1024 C LYS A 38 2.696 4.999 2.011 1.00 0.00 C ATOM 1025 O LYS A 38 3.719 4.841 1.377 1.00 0.00 O ATOM 1026 CB LYS A 38 2.753 5.723 4.387 1.00 0.00 C ATOM 1027 CG LYS A 38 4.078 4.984 4.460 1.00 0.00 C ATOM 1028 CD LYS A 38 3.850 3.541 4.924 1.00 0.00 C ATOM 1029 CE LYS A 38 5.180 2.925 5.386 1.00 0.00 C ATOM 1030 NZ LYS A 38 5.647 3.793 6.500 1.00 0.00 N ATOM 0 H LYS A 38 0.471 6.224 3.517 1.00 0.00 H new ATOM 0 HA LYS A 38 3.228 6.924 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.762 6.580 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.941 5.072 4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.560 4.988 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.751 5.494 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.127 3.522 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.428 2.950 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.043 1.896 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.906 2.902 4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.070 3.204 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.358 4.463 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.840 4.320 6.891 1.00 0.00 H new ATOM 1044 N ARG A 39 1.771 4.078 2.049 1.00 0.00 N ATOM 1045 CA ARG A 39 1.978 2.812 1.300 1.00 0.00 C ATOM 1046 C ARG A 39 1.050 2.531 0.127 1.00 0.00 C ATOM 1047 O ARG A 39 -0.135 2.807 0.135 1.00 0.00 O ATOM 1048 CB ARG A 39 1.714 1.743 2.363 1.00 0.00 C ATOM 1049 CG ARG A 39 2.985 0.951 2.668 1.00 0.00 C ATOM 1050 CD ARG A 39 2.604 -0.370 3.350 1.00 0.00 C ATOM 1051 NE ARG A 39 1.839 0.003 4.578 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.264 -0.932 5.294 1.00 0.00 C ATOM 1053 NH1 ARG A 39 1.951 -1.983 5.662 1.00 0.00 N ATOM 1054 NH2 ARG A 39 0.008 -0.808 5.637 1.00 0.00 N ATOM 0 H ARG A 39 0.892 4.148 2.561 1.00 0.00 H new ATOM 0 HA ARG A 39 2.966 2.845 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.347 2.214 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.933 1.066 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.535 0.754 1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.643 1.531 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.000 -0.990 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.493 -0.947 3.605 1.00 0.00 H new ATOM 0 HE ARG A 39 1.765 0.981 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.930 -2.072 5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.507 -2.713 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.521 0.015 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.443 -1.534 6.194 1.00 0.00 H new ATOM 1068 N GLN A 40 1.612 1.809 -0.795 1.00 0.00 N ATOM 1069 CA GLN A 40 0.876 1.241 -1.953 1.00 0.00 C ATOM 1070 C GLN A 40 1.469 -0.159 -2.038 1.00 0.00 C ATOM 1071 O GLN A 40 2.679 -0.300 -2.047 1.00 0.00 O ATOM 1072 CB GLN A 40 1.223 2.052 -3.205 1.00 0.00 C ATOM 1073 CG GLN A 40 0.357 3.317 -3.282 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.260 3.435 -4.683 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.435 3.719 -4.823 1.00 0.00 O ATOM 1076 NE2 GLN A 40 0.478 3.226 -5.737 1.00 0.00 N ATOM 0 H GLN A 40 2.606 1.578 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.210 1.248 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.278 2.327 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.067 1.443 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.430 3.277 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.962 4.198 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.464 2.987 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.070 3.301 -6.669 1.00 0.00 H new ATOM 1085 N CYS A 41 0.694 -1.196 -1.988 1.00 0.00 N ATOM 1086 CA CYS A 41 1.347 -2.530 -1.964 1.00 0.00 C ATOM 1087 C CYS A 41 0.647 -3.574 -2.802 1.00 0.00 C ATOM 1088 O CYS A 41 -0.560 -3.696 -2.784 1.00 0.00 O ATOM 1089 CB CYS A 41 1.258 -2.958 -0.505 1.00 0.00 C ATOM 1090 SG CYS A 41 2.127 -1.771 0.544 1.00 0.00 S ATOM 0 H CYS A 41 -0.326 -1.187 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 41 2.356 -2.452 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.213 -3.027 -0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.692 -3.950 -0.382 1.00 0.00 H new ATOM 1095 N ARG A 42 1.418 -4.404 -3.444 1.00 0.00 N ATOM 1096 CA ARG A 42 0.826 -5.539 -4.183 1.00 0.00 C ATOM 1097 C ARG A 42 0.792 -6.674 -3.165 1.00 0.00 C ATOM 1098 O ARG A 42 1.711 -6.806 -2.374 1.00 0.00 O ATOM 1099 CB ARG A 42 1.776 -5.834 -5.347 1.00 0.00 C ATOM 1100 CG ARG A 42 1.626 -4.747 -6.418 1.00 0.00 C ATOM 1101 CD ARG A 42 0.261 -4.879 -7.101 1.00 0.00 C ATOM 1102 NE ARG A 42 0.505 -5.741 -8.296 1.00 0.00 N ATOM 1103 CZ ARG A 42 0.313 -5.270 -9.498 1.00 0.00 C ATOM 1104 NH1 ARG A 42 0.878 -4.143 -9.849 1.00 0.00 N ATOM 1105 NH2 ARG A 42 -0.430 -5.931 -10.346 1.00 0.00 N ATOM 0 H ARG A 42 2.435 -4.341 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.171 -5.370 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.805 -5.868 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.553 -6.812 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.722 -3.761 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.423 -4.838 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.472 -5.330 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.130 -3.904 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 42 0.823 -6.702 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.465 -3.638 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.732 -3.770 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.859 -6.814 -10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.581 -5.564 -11.286 1.00 0.00 H new ATOM 1119 N SER A 43 -0.256 -7.437 -3.110 1.00 0.00 N ATOM 1120 CA SER A 43 -0.330 -8.504 -2.059 1.00 0.00 C ATOM 1121 C SER A 43 -0.619 -9.885 -2.647 1.00 0.00 C ATOM 1122 O SER A 43 -1.305 -10.030 -3.644 1.00 0.00 O ATOM 1123 CB SER A 43 -1.477 -8.083 -1.128 1.00 0.00 C ATOM 1124 OG SER A 43 -1.698 -6.677 -1.222 1.00 0.00 O ATOM 0 H SER A 43 -1.060 -7.377 -3.735 1.00 0.00 H new ATOM 0 HA SER A 43 0.626 -8.593 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.387 -8.620 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.238 -8.353 -0.099 1.00 0.00 H new ATOM 0 HG SER A 43 -2.332 -6.493 -1.947 1.00 0.00 H new ATOM 1130 N SER A 44 -0.118 -10.901 -2.003 1.00 0.00 N ATOM 1131 CA SER A 44 -0.360 -12.293 -2.465 1.00 0.00 C ATOM 1132 C SER A 44 -0.758 -13.163 -1.266 1.00 0.00 C ATOM 1133 O SER A 44 -0.468 -12.837 -0.125 1.00 0.00 O ATOM 1134 CB SER A 44 0.959 -12.779 -3.073 1.00 0.00 C ATOM 1135 OG SER A 44 2.046 -11.986 -2.593 1.00 0.00 O ATOM 0 H SER A 44 0.457 -10.823 -1.164 1.00 0.00 H new ATOM 0 HA SER A 44 -1.165 -12.348 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.122 -13.826 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.910 -12.721 -4.160 1.00 0.00 H new ATOM 0 HG SER A 44 2.607 -12.526 -1.998 1.00 0.00 H new ATOM 1141 N GLN A 45 -1.416 -14.263 -1.512 1.00 0.00 N ATOM 1142 CA GLN A 45 -1.829 -15.156 -0.399 1.00 0.00 C ATOM 1143 C GLN A 45 -0.695 -16.139 -0.092 1.00 0.00 C ATOM 1144 O GLN A 45 -0.214 -16.216 1.023 1.00 0.00 O ATOM 1145 CB GLN A 45 -3.067 -15.889 -0.925 1.00 0.00 C ATOM 1146 CG GLN A 45 -3.700 -16.699 0.202 1.00 0.00 C ATOM 1147 CD GLN A 45 -3.629 -18.192 -0.130 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -2.867 -18.603 -0.984 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -4.394 -19.027 0.508 1.00 0.00 N ATOM 0 H GLN A 45 -1.686 -14.581 -2.443 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.046 -14.619 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.787 -15.171 -1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.790 -16.547 -1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.182 -16.501 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.738 -16.397 0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.034 -18.686 1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.354 -20.023 0.292 1.00 0.00 H new ATOM 1158 N GLY A 46 -0.256 -16.875 -1.081 1.00 0.00 N ATOM 1159 CA GLY A 46 0.855 -17.845 -0.862 1.00 0.00 C ATOM 1160 C GLY A 46 2.147 -17.066 -0.622 1.00 0.00 C ATOM 1161 O GLY A 46 2.816 -17.254 0.377 1.00 0.00 O ATOM 0 H GLY A 46 -0.621 -16.845 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.635 -18.484 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.963 -18.498 -1.728 1.00 0.00 H new ATOM 1165 N GLN A 47 2.491 -16.180 -1.518 1.00 0.00 N ATOM 1166 CA GLN A 47 3.729 -15.375 -1.325 1.00 0.00 C ATOM 1167 C GLN A 47 3.424 -14.253 -0.332 1.00 0.00 C ATOM 1168 O GLN A 47 2.534 -13.450 -0.547 1.00 0.00 O ATOM 1169 CB GLN A 47 4.071 -14.805 -2.711 1.00 0.00 C ATOM 1170 CG GLN A 47 5.264 -13.846 -2.600 1.00 0.00 C ATOM 1171 CD GLN A 47 5.309 -12.940 -3.832 1.00 0.00 C ATOM 1172 OE1 GLN A 47 6.301 -12.904 -4.534 1.00 0.00 O ATOM 1173 NE2 GLN A 47 4.282 -12.191 -4.125 1.00 0.00 N ATOM 0 H GLN A 47 1.970 -15.980 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 47 4.562 -15.957 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.308 -15.616 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.208 -14.280 -3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.177 -13.244 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.192 -14.412 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.448 -12.218 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.313 -11.579 -4.940 1.00 0.00 H new ATOM 1182 N ARG A 48 4.131 -14.197 0.762 1.00 0.00 N ATOM 1183 CA ARG A 48 3.852 -13.128 1.769 1.00 0.00 C ATOM 1184 C ARG A 48 4.505 -11.804 1.358 1.00 0.00 C ATOM 1185 O ARG A 48 4.104 -10.748 1.809 1.00 0.00 O ATOM 1186 CB ARG A 48 4.431 -13.643 3.092 1.00 0.00 C ATOM 1187 CG ARG A 48 3.983 -15.098 3.359 1.00 0.00 C ATOM 1188 CD ARG A 48 2.501 -15.288 2.989 1.00 0.00 C ATOM 1189 NE ARG A 48 1.747 -14.400 3.918 1.00 0.00 N ATOM 1190 CZ ARG A 48 0.841 -13.575 3.452 1.00 0.00 C ATOM 1191 NH1 ARG A 48 -0.063 -14.007 2.606 1.00 0.00 N ATOM 1192 NH2 ARG A 48 0.872 -12.318 3.806 1.00 0.00 N ATOM 0 H ARG A 48 4.886 -14.839 1.004 1.00 0.00 H new ATOM 0 HA ARG A 48 2.784 -12.926 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.519 -13.593 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.105 -13.002 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.599 -15.785 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.135 -15.343 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.317 -15.017 1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.197 -16.328 3.105 1.00 0.00 H new ATOM 0 HE ARG A 48 1.936 -14.434 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.061 -14.984 2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.769 -13.366 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.598 -11.985 4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.171 -11.670 3.448 1.00 0.00 H new ATOM 1206 N ARG A 49 5.492 -11.848 0.502 1.00 0.00 N ATOM 1207 CA ARG A 49 6.151 -10.580 0.058 1.00 0.00 C ATOM 1208 C ARG A 49 5.172 -9.778 -0.806 1.00 0.00 C ATOM 1209 O ARG A 49 4.731 -10.236 -1.843 1.00 0.00 O ATOM 1210 CB ARG A 49 7.380 -11.001 -0.760 1.00 0.00 C ATOM 1211 CG ARG A 49 8.499 -11.451 0.187 1.00 0.00 C ATOM 1212 CD ARG A 49 9.812 -11.590 -0.594 1.00 0.00 C ATOM 1213 NE ARG A 49 10.524 -10.297 -0.390 1.00 0.00 N ATOM 1214 CZ ARG A 49 11.683 -10.282 0.213 1.00 0.00 C ATOM 1215 NH1 ARG A 49 12.779 -10.441 -0.481 1.00 0.00 N ATOM 1216 NH2 ARG A 49 11.735 -10.114 1.508 1.00 0.00 N ATOM 0 H ARG A 49 5.870 -12.702 0.092 1.00 0.00 H new ATOM 0 HA ARG A 49 6.444 -9.951 0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.117 -11.812 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.723 -10.169 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.619 -10.728 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.237 -12.403 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.403 -12.428 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.624 -11.774 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 49 10.108 -9.426 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.728 -10.576 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.685 -10.430 -0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.874 -9.996 2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.637 -10.101 1.985 1.00 0.00 H new ATOM 1230 N GLY A 50 4.813 -8.604 -0.363 1.00 0.00 N ATOM 1231 CA GLY A 50 3.834 -7.760 -1.119 1.00 0.00 C ATOM 1232 C GLY A 50 4.213 -7.643 -2.605 1.00 0.00 C ATOM 1233 O GLY A 50 3.617 -8.291 -3.446 1.00 0.00 O ATOM 0 H GLY A 50 5.159 -8.186 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.837 -8.191 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.792 -6.766 -0.675 1.00 0.00 H new ATOM 1237 N PRO A 51 5.177 -6.813 -2.897 1.00 0.00 N ATOM 1238 CA PRO A 51 5.894 -6.031 -1.863 1.00 0.00 C ATOM 1239 C PRO A 51 5.239 -4.669 -1.590 1.00 0.00 C ATOM 1240 O PRO A 51 4.530 -4.115 -2.415 1.00 0.00 O ATOM 1241 CB PRO A 51 7.264 -5.823 -2.487 1.00 0.00 C ATOM 1242 CG PRO A 51 7.056 -5.906 -3.973 1.00 0.00 C ATOM 1243 CD PRO A 51 5.704 -6.534 -4.231 1.00 0.00 C ATOM 0 HA PRO A 51 5.903 -6.543 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.679 -4.856 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.967 -6.584 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.104 -4.913 -4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.845 -6.501 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.051 -5.859 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.795 -7.445 -4.822 1.00 0.00 H new ATOM 1251 N CYS A 52 5.508 -4.126 -0.435 1.00 0.00 N ATOM 1252 CA CYS A 52 4.970 -2.786 -0.059 1.00 0.00 C ATOM 1253 C CYS A 52 5.998 -1.707 -0.408 1.00 0.00 C ATOM 1254 O CYS A 52 7.191 -1.964 -0.403 1.00 0.00 O ATOM 1255 CB CYS A 52 4.788 -2.840 1.457 1.00 0.00 C ATOM 1256 SG CYS A 52 3.036 -2.966 1.882 1.00 0.00 S ATOM 0 H CYS A 52 6.090 -4.563 0.279 1.00 0.00 H new ATOM 0 HA CYS A 52 4.041 -2.554 -0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.329 -3.694 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.215 -1.946 1.912 1.00 0.00 H new ATOM 1261 N TRP A 53 5.568 -0.502 -0.669 1.00 0.00 N ATOM 1262 CA TRP A 53 6.558 0.586 -0.968 1.00 0.00 C ATOM 1263 C TRP A 53 6.038 1.963 -0.513 1.00 0.00 C ATOM 1264 O TRP A 53 4.875 2.124 -0.172 1.00 0.00 O ATOM 1265 CB TRP A 53 6.842 0.530 -2.486 1.00 0.00 C ATOM 1266 CG TRP A 53 5.635 0.851 -3.314 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.225 2.095 -3.629 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.715 -0.061 -3.978 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.102 2.010 -4.430 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.745 0.701 -4.672 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.622 -1.460 -4.038 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.719 0.092 -5.399 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.596 -2.075 -4.770 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.645 -1.301 -5.449 1.00 0.00 C ATOM 0 H TRP A 53 4.588 -0.221 -0.689 1.00 0.00 H new ATOM 0 HA TRP A 53 7.484 0.435 -0.413 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.640 1.232 -2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.202 -0.465 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.698 3.011 -3.307 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.599 2.818 -4.797 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.346 -2.068 -3.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.989 0.695 -5.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.538 -3.153 -4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.857 -1.781 -6.010 1.00 0.00 H new ATOM 1285 N CYS A 54 6.914 2.947 -0.481 1.00 0.00 N ATOM 1286 CA CYS A 54 6.527 4.327 -0.023 1.00 0.00 C ATOM 1287 C CYS A 54 5.772 5.039 -1.143 1.00 0.00 C ATOM 1288 O CYS A 54 6.086 4.870 -2.308 1.00 0.00 O ATOM 1289 CB CYS A 54 7.860 5.040 0.236 1.00 0.00 C ATOM 1290 SG CYS A 54 7.826 5.984 1.792 1.00 0.00 S ATOM 0 H CYS A 54 7.892 2.851 -0.756 1.00 0.00 H new ATOM 0 HA CYS A 54 5.886 4.313 0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.665 4.306 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.080 5.712 -0.593 1.00 0.00 H new ATOM 1295 N VAL A 55 4.767 5.809 -0.816 1.00 0.00 N ATOM 1296 CA VAL A 55 3.984 6.488 -1.889 1.00 0.00 C ATOM 1297 C VAL A 55 3.581 7.909 -1.484 1.00 0.00 C ATOM 1298 O VAL A 55 3.655 8.276 -0.326 1.00 0.00 O ATOM 1299 CB VAL A 55 2.729 5.617 -2.095 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.069 4.148 -1.859 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.618 6.030 -1.118 1.00 0.00 C ATOM 0 H VAL A 55 4.457 5.995 0.138 1.00 0.00 H new ATOM 0 HA VAL A 55 4.575 6.587 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 55 2.382 5.759 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.177 3.540 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.841 3.836 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.432 4.018 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.741 5.404 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.969 5.906 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.354 7.074 -1.287 1.00 0.00 H new ATOM 1311 N ASP A 56 3.117 8.689 -2.433 1.00 0.00 N ATOM 1312 CA ASP A 56 2.648 10.059 -2.117 1.00 0.00 C ATOM 1313 C ASP A 56 1.130 9.982 -1.975 1.00 0.00 C ATOM 1314 O ASP A 56 0.541 8.940 -2.183 1.00 0.00 O ATOM 1315 CB ASP A 56 3.064 10.959 -3.301 1.00 0.00 C ATOM 1316 CG ASP A 56 1.949 11.065 -4.344 1.00 0.00 C ATOM 1317 OD1 ASP A 56 1.721 10.107 -5.047 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.346 12.115 -4.432 1.00 0.00 O ATOM 0 H ASP A 56 3.046 8.425 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 56 3.071 10.465 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.315 11.954 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.963 10.556 -3.768 1.00 0.00 H new ATOM 1323 N ARG A 57 0.499 11.059 -1.640 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.991 11.050 -1.476 1.00 0.00 C ATOM 1325 C ARG A 57 -1.695 10.445 -2.703 1.00 0.00 C ATOM 1326 O ARG A 57 -2.734 9.816 -2.582 1.00 0.00 O ATOM 1327 CB ARG A 57 -1.400 12.514 -1.279 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.599 13.431 -2.217 1.00 0.00 C ATOM 1329 CD ARG A 57 -1.503 13.942 -3.325 1.00 0.00 C ATOM 1330 NE ARG A 57 -0.623 14.018 -4.524 1.00 0.00 N ATOM 1331 CZ ARG A 57 -0.477 15.153 -5.148 1.00 0.00 C ATOM 1332 NH1 ARG A 57 -1.400 15.569 -5.976 1.00 0.00 N ATOM 1333 NH2 ARG A 57 0.590 15.871 -4.931 1.00 0.00 N ATOM 0 H ARG A 57 0.945 11.960 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.285 10.431 -0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.466 12.628 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.231 12.808 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.185 14.269 -1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.243 12.886 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.344 13.269 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.921 14.918 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.136 13.185 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.235 15.005 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.285 16.457 -6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.301 15.543 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.713 16.761 -5.415 1.00 0.00 H new ATOM 1347 N MET A 58 -1.152 10.625 -3.878 1.00 0.00 N ATOM 1348 CA MET A 58 -1.790 10.063 -5.094 1.00 0.00 C ATOM 1349 C MET A 58 -1.355 8.593 -5.296 1.00 0.00 C ATOM 1350 O MET A 58 -1.990 7.856 -6.029 1.00 0.00 O ATOM 1351 CB MET A 58 -1.288 10.984 -6.205 1.00 0.00 C ATOM 1352 CG MET A 58 -1.381 10.308 -7.562 1.00 0.00 C ATOM 1353 SD MET A 58 -2.838 10.932 -8.444 1.00 0.00 S ATOM 1354 CE MET A 58 -4.102 10.005 -7.532 1.00 0.00 C ATOM 0 H MET A 58 -0.288 11.141 -4.044 1.00 0.00 H new ATOM 0 HA MET A 58 -2.879 10.031 -5.054 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.875 11.903 -6.212 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.254 11.267 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.479 10.505 -8.142 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.451 9.227 -7.439 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.005 9.930 -8.137 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.730 9.005 -7.309 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.331 10.522 -6.600 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.307 8.154 -4.638 1.00 0.00 N ATOM 1365 CA GLY A 59 0.138 6.731 -4.783 1.00 0.00 C ATOM 1366 C GLY A 59 1.441 6.621 -5.594 1.00 0.00 C ATOM 1367 O GLY A 59 1.834 5.535 -5.979 1.00 0.00 O ATOM 0 H GLY A 59 0.259 8.721 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.286 6.294 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.645 6.153 -5.273 1.00 0.00 H new ATOM 1371 N LYS A 60 2.134 7.703 -5.839 1.00 0.00 N ATOM 1372 CA LYS A 60 3.407 7.621 -6.589 1.00 0.00 C ATOM 1373 C LYS A 60 4.473 6.973 -5.705 1.00 0.00 C ATOM 1374 O LYS A 60 4.585 7.288 -4.543 1.00 0.00 O ATOM 1375 CB LYS A 60 3.755 9.073 -6.884 1.00 0.00 C ATOM 1376 CG LYS A 60 5.050 9.117 -7.672 1.00 0.00 C ATOM 1377 CD LYS A 60 6.029 10.091 -7.004 1.00 0.00 C ATOM 1378 CE LYS A 60 6.531 11.111 -8.033 1.00 0.00 C ATOM 1379 NZ LYS A 60 5.486 12.172 -8.079 1.00 0.00 N ATOM 0 H LYS A 60 1.865 8.642 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 60 3.340 7.024 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.953 9.545 -7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.860 9.632 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.490 8.121 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.853 9.431 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.538 10.606 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.871 9.542 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.497 11.523 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.665 10.649 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.764 12.904 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.579 11.754 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.384 12.600 -7.137 1.00 0.00 H new ATOM 1393 N SER A 61 5.242 6.066 -6.243 1.00 0.00 N ATOM 1394 CA SER A 61 6.292 5.374 -5.430 1.00 0.00 C ATOM 1395 C SER A 61 7.388 6.352 -4.970 1.00 0.00 C ATOM 1396 O SER A 61 8.282 6.700 -5.719 1.00 0.00 O ATOM 1397 CB SER A 61 6.871 4.309 -6.368 1.00 0.00 C ATOM 1398 OG SER A 61 5.817 3.743 -7.148 1.00 0.00 O ATOM 0 H SER A 61 5.190 5.770 -7.218 1.00 0.00 H new ATOM 0 HA SER A 61 5.878 4.945 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.623 4.753 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.369 3.531 -5.790 1.00 0.00 H new ATOM 0 HG SER A 61 6.185 3.063 -7.750 1.00 0.00 H new ATOM 1404 N LEU A 62 7.331 6.778 -3.733 1.00 0.00 N ATOM 1405 CA LEU A 62 8.373 7.709 -3.191 1.00 0.00 C ATOM 1406 C LEU A 62 9.495 6.893 -2.529 1.00 0.00 C ATOM 1407 O LEU A 62 9.341 5.704 -2.321 1.00 0.00 O ATOM 1408 CB LEU A 62 7.659 8.573 -2.140 1.00 0.00 C ATOM 1409 CG LEU A 62 6.488 9.335 -2.772 1.00 0.00 C ATOM 1410 CD1 LEU A 62 5.853 10.244 -1.719 1.00 0.00 C ATOM 1411 CD2 LEU A 62 6.989 10.200 -3.931 1.00 0.00 C ATOM 0 H LEU A 62 6.602 6.519 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 62 8.820 8.322 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.294 7.942 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.365 9.279 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 62 5.756 8.618 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.020 10.788 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.490 9.640 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.596 10.953 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.150 10.737 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.723 10.915 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.451 9.564 -4.686 1.00 0.00 H new ATOM 1423 N PRO A 63 10.581 7.555 -2.203 1.00 0.00 N ATOM 1424 CA PRO A 63 11.715 6.863 -1.539 1.00 0.00 C ATOM 1425 C PRO A 63 11.421 6.664 -0.036 1.00 0.00 C ATOM 1426 O PRO A 63 10.848 5.664 0.360 1.00 0.00 O ATOM 1427 CB PRO A 63 12.893 7.809 -1.768 1.00 0.00 C ATOM 1428 CG PRO A 63 12.290 9.171 -1.961 1.00 0.00 C ATOM 1429 CD PRO A 63 10.861 8.984 -2.423 1.00 0.00 C ATOM 0 HA PRO A 63 11.906 5.864 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.574 7.799 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.471 7.510 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.319 9.737 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.858 9.739 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.176 9.614 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.746 9.253 -3.473 1.00 0.00 H new ATOM 1437 N GLY A 64 11.794 7.608 0.800 1.00 0.00 N ATOM 1438 CA GLY A 64 11.526 7.480 2.266 1.00 0.00 C ATOM 1439 C GLY A 64 12.662 6.708 2.946 1.00 0.00 C ATOM 1440 O GLY A 64 13.250 5.812 2.369 1.00 0.00 O ATOM 0 H GLY A 64 12.275 8.465 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.430 8.469 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.579 6.964 2.426 1.00 0.00 H new ATOM 1444 N SER A 65 12.970 7.046 4.175 1.00 0.00 N ATOM 1445 CA SER A 65 14.060 6.327 4.907 1.00 0.00 C ATOM 1446 C SER A 65 13.593 4.914 5.280 1.00 0.00 C ATOM 1447 O SER A 65 12.410 4.687 5.449 1.00 0.00 O ATOM 1448 CB SER A 65 14.319 7.149 6.172 1.00 0.00 C ATOM 1449 OG SER A 65 14.486 8.523 5.827 1.00 0.00 O ATOM 0 H SER A 65 12.513 7.789 4.703 1.00 0.00 H new ATOM 0 HA SER A 65 14.961 6.227 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.487 7.037 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.210 6.781 6.680 1.00 0.00 H new ATOM 0 HG SER A 65 14.650 9.047 6.639 1.00 0.00 H new ATOM 1455 N PRO A 66 14.531 4.004 5.403 1.00 0.00 N ATOM 1456 CA PRO A 66 14.197 2.592 5.757 1.00 0.00 C ATOM 1457 C PRO A 66 13.753 2.427 7.225 1.00 0.00 C ATOM 1458 O PRO A 66 13.802 1.338 7.763 1.00 0.00 O ATOM 1459 CB PRO A 66 15.502 1.842 5.501 1.00 0.00 C ATOM 1460 CG PRO A 66 16.578 2.871 5.627 1.00 0.00 C ATOM 1461 CD PRO A 66 15.979 4.194 5.223 1.00 0.00 C ATOM 0 HA PRO A 66 13.354 2.222 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.641 1.037 6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.507 1.387 4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.951 2.914 6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 66 17.426 2.621 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.354 5.007 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 66 16.223 4.443 4.190 1.00 0.00 H new ATOM 1469 N ASP A 67 13.304 3.469 7.876 1.00 0.00 N ATOM 1470 CA ASP A 67 12.852 3.317 9.294 1.00 0.00 C ATOM 1471 C ASP A 67 11.493 2.614 9.338 1.00 0.00 C ATOM 1472 O ASP A 67 11.128 2.024 10.333 1.00 0.00 O ATOM 1473 CB ASP A 67 12.715 4.737 9.844 1.00 0.00 C ATOM 1474 CG ASP A 67 14.085 5.394 9.944 1.00 0.00 C ATOM 1475 OD1 ASP A 67 14.842 5.010 10.817 1.00 0.00 O ATOM 1476 OD2 ASP A 67 14.351 6.272 9.150 1.00 0.00 O ATOM 0 H ASP A 67 13.231 4.411 7.492 1.00 0.00 H new ATOM 0 HA ASP A 67 13.555 2.722 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.067 5.326 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.243 4.711 10.826 1.00 0.00 H new ATOM 1481 N GLY A 68 10.735 2.681 8.270 1.00 0.00 N ATOM 1482 CA GLY A 68 9.397 2.020 8.257 1.00 0.00 C ATOM 1483 C GLY A 68 8.315 2.993 8.752 1.00 0.00 C ATOM 1484 O GLY A 68 7.170 2.902 8.344 1.00 0.00 O ATOM 0 H GLY A 68 10.987 3.165 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.160 1.685 7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.416 1.134 8.891 1.00 0.00 H new ATOM 1488 N ASN A 69 8.657 3.919 9.618 1.00 0.00 N ATOM 1489 CA ASN A 69 7.629 4.882 10.135 1.00 0.00 C ATOM 1490 C ASN A 69 7.164 5.811 9.010 1.00 0.00 C ATOM 1491 O ASN A 69 7.868 6.025 8.040 1.00 0.00 O ATOM 1492 CB ASN A 69 8.333 5.688 11.235 1.00 0.00 C ATOM 1493 CG ASN A 69 7.289 6.323 12.152 1.00 0.00 C ATOM 1494 OD1 ASN A 69 6.408 7.024 11.695 1.00 0.00 O ATOM 1495 ND2 ASN A 69 7.350 6.109 13.433 1.00 0.00 N ATOM 0 H ASN A 69 9.598 4.050 9.988 1.00 0.00 H new ATOM 0 HA ASN A 69 6.747 4.367 10.516 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.991 5.038 11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.959 6.461 10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.658 6.529 14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.089 5.521 13.817 1.00 0.00 H new ATOM 1502 N GLY A 70 5.982 6.361 9.129 1.00 0.00 N ATOM 1503 CA GLY A 70 5.452 7.276 8.071 1.00 0.00 C ATOM 1504 C GLY A 70 6.373 8.486 7.920 1.00 0.00 C ATOM 1505 O GLY A 70 6.772 8.830 6.827 1.00 0.00 O ATOM 0 H GLY A 70 5.356 6.214 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.377 6.744 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.446 7.604 8.333 1.00 0.00 H new ATOM 1509 N SER A 71 6.709 9.135 9.006 1.00 0.00 N ATOM 1510 CA SER A 71 7.602 10.337 8.924 1.00 0.00 C ATOM 1511 C SER A 71 8.892 10.006 8.161 1.00 0.00 C ATOM 1512 O SER A 71 9.324 10.764 7.312 1.00 0.00 O ATOM 1513 CB SER A 71 7.917 10.714 10.374 1.00 0.00 C ATOM 1514 OG SER A 71 6.775 10.459 11.191 1.00 0.00 O ATOM 0 H SER A 71 6.405 8.886 9.947 1.00 0.00 H new ATOM 0 HA SER A 71 7.123 11.156 8.388 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.770 10.139 10.733 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.194 11.767 10.435 1.00 0.00 H new ATOM 0 HG SER A 71 6.977 10.699 12.120 1.00 0.00 H new ATOM 1520 N SER A 72 9.510 8.887 8.447 1.00 0.00 N ATOM 1521 CA SER A 72 10.772 8.521 7.728 1.00 0.00 C ATOM 1522 C SER A 72 10.445 8.041 6.312 1.00 0.00 C ATOM 1523 O SER A 72 11.056 8.470 5.349 1.00 0.00 O ATOM 1524 CB SER A 72 11.412 7.393 8.540 1.00 0.00 C ATOM 1525 OG SER A 72 10.478 6.889 9.494 1.00 0.00 O ATOM 0 H SER A 72 9.197 8.212 9.145 1.00 0.00 H new ATOM 0 HA SER A 72 11.446 9.373 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.733 6.592 7.875 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.303 7.761 9.050 1.00 0.00 H new ATOM 0 HG SER A 72 10.878 6.914 10.388 1.00 0.00 H new ATOM 1531 N SER A 73 9.486 7.163 6.170 1.00 0.00 N ATOM 1532 CA SER A 73 9.123 6.674 4.806 1.00 0.00 C ATOM 1533 C SER A 73 8.299 7.753 4.090 1.00 0.00 C ATOM 1534 O SER A 73 8.849 8.641 3.462 1.00 0.00 O ATOM 1535 CB SER A 73 8.321 5.374 5.016 1.00 0.00 C ATOM 1536 OG SER A 73 7.126 5.639 5.752 1.00 0.00 O ATOM 0 H SER A 73 8.941 6.765 6.935 1.00 0.00 H new ATOM 0 HA SER A 73 9.994 6.474 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.071 4.934 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.931 4.645 5.550 1.00 0.00 H new ATOM 0 HG SER A 73 7.356 5.883 6.673 1.00 0.00 H new ATOM 1542 N CYS A 74 6.997 7.709 4.191 1.00 0.00 N ATOM 1543 CA CYS A 74 6.179 8.760 3.523 1.00 0.00 C ATOM 1544 C CYS A 74 4.977 9.162 4.390 1.00 0.00 C ATOM 1545 O CYS A 74 4.192 8.326 4.786 1.00 0.00 O ATOM 1546 CB CYS A 74 5.676 8.122 2.209 1.00 0.00 C ATOM 1547 SG CYS A 74 5.878 6.311 2.227 1.00 0.00 S ATOM 0 H CYS A 74 6.471 7.000 4.701 1.00 0.00 H new ATOM 0 HA CYS A 74 6.768 9.661 3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.625 8.371 2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.224 8.542 1.366 1.00 0.00 H new ATOM 1552 N PRO A 75 4.844 10.455 4.595 1.00 0.00 N ATOM 1553 CA PRO A 75 3.688 11.009 5.344 1.00 0.00 C ATOM 1554 C PRO A 75 2.537 11.323 4.375 1.00 0.00 C ATOM 1555 O PRO A 75 1.376 11.085 4.653 1.00 0.00 O ATOM 1556 CB PRO A 75 4.249 12.297 5.931 1.00 0.00 C ATOM 1557 CG PRO A 75 5.381 12.709 5.024 1.00 0.00 C ATOM 1558 CD PRO A 75 5.779 11.512 4.190 1.00 0.00 C ATOM 0 HA PRO A 75 3.288 10.329 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.483 13.071 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.603 12.140 6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.072 13.534 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.229 13.062 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.699 11.726 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.812 11.222 4.380 1.00 0.00 H new ATOM 1566 N THR A 76 2.876 11.872 3.239 1.00 0.00 N ATOM 1567 CA THR A 76 1.869 12.232 2.207 1.00 0.00 C ATOM 1568 C THR A 76 2.613 12.568 0.905 1.00 0.00 C ATOM 1569 O THR A 76 3.721 12.108 0.687 1.00 0.00 O ATOM 1570 CB THR A 76 1.128 13.457 2.770 1.00 0.00 C ATOM 1571 OG1 THR A 76 0.096 13.838 1.868 1.00 0.00 O ATOM 1572 CG2 THR A 76 2.100 14.628 2.965 1.00 0.00 C ATOM 0 H THR A 76 3.838 12.091 2.980 1.00 0.00 H new ATOM 0 HA THR A 76 1.164 11.431 1.986 1.00 0.00 H new ATOM 0 HB THR A 76 0.696 13.197 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.242 14.762 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.560 15.487 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.885 14.337 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.547 14.894 2.007 1.00 0.00 H new ATOM 1580 N GLY A 77 2.031 13.363 0.049 1.00 0.00 N ATOM 1581 CA GLY A 77 2.727 13.721 -1.225 1.00 0.00 C ATOM 1582 C GLY A 77 2.185 15.047 -1.755 1.00 0.00 C ATOM 1583 O GLY A 77 2.033 15.230 -2.949 1.00 0.00 O ATOM 0 H GLY A 77 1.108 13.780 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.801 13.799 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.578 12.935 -1.965 1.00 0.00 H new ATOM 1587 N SER A 78 1.884 15.970 -0.886 1.00 0.00 N ATOM 1588 CA SER A 78 1.341 17.284 -1.338 1.00 0.00 C ATOM 1589 C SER A 78 2.488 18.208 -1.759 1.00 0.00 C ATOM 1590 O SER A 78 3.458 18.375 -1.038 1.00 0.00 O ATOM 1591 CB SER A 78 0.602 17.860 -0.120 1.00 0.00 C ATOM 1592 OG SER A 78 0.399 16.837 0.857 1.00 0.00 O ATOM 0 H SER A 78 1.991 15.872 0.124 1.00 0.00 H new ATOM 0 HA SER A 78 0.679 17.182 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.179 18.678 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.357 18.275 -0.429 1.00 0.00 H new ATOM 0 HG SER A 78 -0.071 17.212 1.631 1.00 0.00 H new ATOM 1598 N SER A 79 2.382 18.818 -2.913 1.00 0.00 N ATOM 1599 CA SER A 79 3.457 19.743 -3.383 1.00 0.00 C ATOM 1600 C SER A 79 3.265 21.114 -2.726 1.00 0.00 C ATOM 1601 O SER A 79 2.947 22.095 -3.375 1.00 0.00 O ATOM 1602 CB SER A 79 3.292 19.835 -4.907 1.00 0.00 C ATOM 1603 OG SER A 79 4.193 18.927 -5.537 1.00 0.00 O ATOM 0 H SER A 79 1.594 18.714 -3.552 1.00 0.00 H new ATOM 0 HA SER A 79 4.455 19.391 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.265 19.599 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.489 20.853 -5.244 1.00 0.00 H new ATOM 0 HG SER A 79 4.087 18.983 -6.510 1.00 0.00 H new ATOM 1609 N GLY A 80 3.442 21.180 -1.436 1.00 0.00 N ATOM 1610 CA GLY A 80 3.268 22.471 -0.717 1.00 0.00 C ATOM 1611 C GLY A 80 2.392 22.246 0.513 1.00 0.00 C ATOM 1612 O GLY A 80 1.431 22.973 0.669 1.00 0.00 O ATOM 1613 OXT GLY A 80 2.689 21.342 1.275 1.00 0.00 O ATOM 0 H GLY A 80 3.701 20.389 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.238 22.869 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.809 23.209 -1.375 1.00 0.00 H new TER 1617 GLY A 80