USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 725 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 8 HIS : no HE2:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Set 1.2: A 37 THR OG1 : rot -120:sc= -0.005 USER MOD Set 2.1: A 2 HIS : no HD1:sc= -0.3 K(o=-0.86,f=-0.19) USER MOD Set 2.2: A 4 HIS : no HD1:sc= -0.564 K(o=-0.86,f=-1.4) USER MOD Set 2.3: A 78 ASN : amide:sc= 0 K(o=-0.86,f=-1.7) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00277 X(o=-0.0028,f=-0.23) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -160:sc= -0.176 USER MOD Single : A 9 MET CE :methyl -164:sc=-4.35e-06 (180deg=-0.501) USER MOD Single : A 13 THR OG1 : rot -120:sc= -0.0284 USER MOD Single : A 19 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.3) USER MOD Single : A 20 GLN : amide:sc= 0.0943 K(o=0.094,f=-4.4!) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.0299 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0168) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.488 USER MOD Single : A 33 THR OG1 : rot 32:sc= 0.362 USER MOD Single : A 38 THR OG1 : rot -157:sc= 1.08 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 43 LYS NZ :NH3+ 143:sc= -0.086 (180deg=-0.327) USER MOD Single : A 52 HIS : no HD1:sc= -0.0524 K(o=-0.052,f=-0.56) USER MOD Single : A 55 HIS : no HE2:sc= -0.315 K(o=-0.32,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0465) USER MOD Single : A 66 SER OG : rot 133:sc= 0.409 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 34:sc= 0.0666 USER MOD Single : A 74 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.24) USER MOD Single : A 76 SER OG : rot 60:sc= 0.166 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0165) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -3.973 -24.700 14.025 1.00 75.00 N ATOM 2 CA HIS A 1 -3.009 -23.634 14.349 1.00 75.00 C ATOM 3 C HIS A 1 -1.581 -24.120 14.032 1.00 75.00 C ATOM 4 O HIS A 1 -0.965 -24.824 14.840 1.00 75.00 O ATOM 5 CB HIS A 1 -3.163 -23.212 15.833 1.00 75.00 C ATOM 6 CG HIS A 1 -2.419 -21.958 16.222 1.00 75.00 C ATOM 7 ND1 HIS A 1 -3.039 -20.733 16.361 1.00 75.00 N ATOM 8 CD2 HIS A 1 -1.111 -21.742 16.518 1.00 75.00 C ATOM 9 CE1 HIS A 1 -2.151 -19.832 16.723 1.00 75.00 C ATOM 10 NE2 HIS A 1 -0.981 -20.420 16.828 1.00 75.00 N ATOM 0 H1 HIS A 1 -4.937 -24.373 14.239 1.00 75.00 H new ATOM 0 H2 HIS A 1 -3.903 -24.936 13.014 1.00 75.00 H new ATOM 0 H3 HIS A 1 -3.760 -25.545 14.593 1.00 75.00 H new ATOM 0 HA HIS A 1 -3.208 -22.753 13.738 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -4.222 -23.068 16.046 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -2.819 -24.031 16.465 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -0.322 -22.479 16.509 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -2.350 -18.786 16.903 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -0.112 -19.960 17.099 1.00 75.00 H new ATOM 21 N HIS A 2 -1.091 -23.779 12.823 1.00 75.00 N ATOM 22 CA HIS A 2 0.294 -24.047 12.394 1.00 75.00 C ATOM 23 C HIS A 2 0.667 -23.080 11.257 1.00 75.00 C ATOM 24 O HIS A 2 -0.201 -22.681 10.468 1.00 75.00 O ATOM 25 CB HIS A 2 0.493 -25.527 11.947 1.00 75.00 C ATOM 26 CG HIS A 2 -0.198 -25.916 10.659 1.00 75.00 C ATOM 27 ND1 HIS A 2 0.440 -25.914 9.438 1.00 75.00 N ATOM 28 CD2 HIS A 2 -1.468 -26.321 10.406 1.00 75.00 C ATOM 29 CE1 HIS A 2 -0.401 -26.302 8.507 1.00 75.00 C ATOM 30 NE2 HIS A 2 -1.561 -26.552 9.062 1.00 75.00 N ATOM 0 H HIS A 2 -1.650 -23.307 12.113 1.00 75.00 H new ATOM 0 HA HIS A 2 0.954 -23.886 13.246 1.00 75.00 H new ATOM 0 HB2 HIS A 2 1.561 -25.715 11.837 1.00 75.00 H new ATOM 0 HB3 HIS A 2 0.135 -26.180 12.743 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -2.259 -26.439 11.132 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -0.174 -26.399 7.456 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -2.398 -26.868 8.571 1.00 75.00 H new ATOM 39 N HIS A 3 1.955 -22.713 11.176 1.00 75.00 N ATOM 40 CA HIS A 3 2.462 -21.720 10.203 1.00 75.00 C ATOM 41 C HIS A 3 2.763 -22.367 8.841 1.00 75.00 C ATOM 42 O HIS A 3 2.558 -23.575 8.650 1.00 75.00 O ATOM 43 CB HIS A 3 3.721 -20.998 10.776 1.00 75.00 C ATOM 44 CG HIS A 3 3.445 -20.142 11.979 1.00 75.00 C ATOM 45 ND1 HIS A 3 4.410 -19.786 12.890 1.00 75.00 N ATOM 46 CD2 HIS A 3 2.305 -19.563 12.405 1.00 75.00 C ATOM 47 CE1 HIS A 3 3.874 -19.033 13.821 1.00 75.00 C ATOM 48 NE2 HIS A 3 2.592 -18.881 13.557 1.00 75.00 N ATOM 0 H HIS A 3 2.680 -23.095 11.783 1.00 75.00 H new ATOM 0 HA HIS A 3 1.682 -20.977 10.039 1.00 75.00 H new ATOM 0 HB2 HIS A 3 4.467 -21.747 11.041 1.00 75.00 H new ATOM 0 HB3 HIS A 3 4.157 -20.376 9.994 1.00 75.00 H new ATOM 0 HD2 HIS A 3 1.340 -19.626 11.925 1.00 75.00 H new ATOM 0 HE1 HIS A 3 4.397 -18.608 14.665 1.00 75.00 H new ATOM 0 HE2 HIS A 3 1.927 -18.346 14.116 1.00 75.00 H new ATOM 57 N HIS A 4 3.223 -21.528 7.894 1.00 75.00 N ATOM 58 CA HIS A 4 3.547 -21.925 6.505 1.00 75.00 C ATOM 59 C HIS A 4 4.736 -21.085 5.979 1.00 75.00 C ATOM 60 O HIS A 4 5.510 -20.531 6.775 1.00 75.00 O ATOM 61 CB HIS A 4 2.287 -21.778 5.584 1.00 75.00 C ATOM 62 CG HIS A 4 1.301 -22.915 5.686 1.00 75.00 C ATOM 63 ND1 HIS A 4 -0.051 -22.731 5.828 1.00 75.00 N ATOM 64 CD2 HIS A 4 1.482 -24.258 5.606 1.00 75.00 C ATOM 65 CE1 HIS A 4 -0.655 -23.896 5.833 1.00 75.00 C ATOM 66 NE2 HIS A 4 0.251 -24.839 5.700 1.00 75.00 N ATOM 0 H HIS A 4 3.384 -20.537 8.073 1.00 75.00 H new ATOM 0 HA HIS A 4 3.842 -22.974 6.492 1.00 75.00 H new ATOM 0 HB2 HIS A 4 1.777 -20.848 5.834 1.00 75.00 H new ATOM 0 HB3 HIS A 4 2.617 -21.692 4.549 1.00 75.00 H new ATOM 0 HD2 HIS A 4 2.425 -24.771 5.490 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -1.719 -24.054 5.930 1.00 75.00 H new ATOM 0 HE2 HIS A 4 0.064 -25.841 5.672 1.00 75.00 H new ATOM 75 N HIS A 5 4.883 -21.042 4.631 1.00 75.00 N ATOM 76 CA HIS A 5 5.931 -20.284 3.925 1.00 75.00 C ATOM 77 C HIS A 5 5.868 -18.785 4.295 1.00 75.00 C ATOM 78 O HIS A 5 4.773 -18.209 4.359 1.00 75.00 O ATOM 79 CB HIS A 5 5.750 -20.485 2.391 1.00 75.00 C ATOM 80 CG HIS A 5 6.842 -19.896 1.527 1.00 75.00 C ATOM 81 ND1 HIS A 5 7.927 -20.623 1.087 1.00 75.00 N ATOM 82 CD2 HIS A 5 6.993 -18.658 0.990 1.00 75.00 C ATOM 83 CE1 HIS A 5 8.680 -19.865 0.322 1.00 75.00 C ATOM 84 NE2 HIS A 5 8.137 -18.671 0.245 1.00 75.00 N ATOM 0 H HIS A 5 4.261 -21.545 3.998 1.00 75.00 H new ATOM 0 HA HIS A 5 6.912 -20.653 4.226 1.00 75.00 H new ATOM 0 HB2 HIS A 5 5.685 -21.554 2.187 1.00 75.00 H new ATOM 0 HB3 HIS A 5 4.798 -20.045 2.094 1.00 75.00 H new ATOM 0 HD2 HIS A 5 6.330 -17.817 1.127 1.00 75.00 H new ATOM 0 HE1 HIS A 5 9.594 -20.173 -0.163 1.00 75.00 H new ATOM 0 HE2 HIS A 5 8.509 -17.883 -0.285 1.00 75.00 H new ATOM 93 N HIS A 6 7.050 -18.185 4.552 1.00 75.00 N ATOM 94 CA HIS A 6 7.185 -16.753 4.867 1.00 75.00 C ATOM 95 C HIS A 6 6.687 -15.891 3.687 1.00 75.00 C ATOM 96 O HIS A 6 7.232 -15.961 2.584 1.00 75.00 O ATOM 97 CB HIS A 6 8.666 -16.412 5.207 1.00 75.00 C ATOM 98 CG HIS A 6 8.933 -14.938 5.459 1.00 75.00 C ATOM 99 ND1 HIS A 6 8.728 -14.335 6.680 1.00 75.00 N ATOM 100 CD2 HIS A 6 9.354 -13.945 4.629 1.00 75.00 C ATOM 101 CE1 HIS A 6 9.022 -13.053 6.594 1.00 75.00 C ATOM 102 NE2 HIS A 6 9.401 -12.793 5.365 1.00 75.00 N ATOM 0 H HIS A 6 7.939 -18.685 4.546 1.00 75.00 H new ATOM 0 HA HIS A 6 6.570 -16.529 5.738 1.00 75.00 H new ATOM 0 HB2 HIS A 6 8.962 -16.978 6.090 1.00 75.00 H new ATOM 0 HB3 HIS A 6 9.300 -16.748 4.386 1.00 75.00 H new ATOM 0 HD2 HIS A 6 9.604 -14.048 3.583 1.00 75.00 H new ATOM 0 HE1 HIS A 6 8.961 -12.337 7.400 1.00 75.00 H new ATOM 0 HE2 HIS A 6 9.685 -11.878 5.015 1.00 75.00 H new ATOM 111 N SER A 7 5.640 -15.107 3.949 1.00 75.00 N ATOM 112 CA SER A 7 5.086 -14.113 3.014 1.00 75.00 C ATOM 113 C SER A 7 5.603 -12.710 3.400 1.00 75.00 C ATOM 114 O SER A 7 6.506 -12.597 4.242 1.00 75.00 O ATOM 115 CB SER A 7 3.540 -14.198 3.089 1.00 75.00 C ATOM 116 OG SER A 7 3.083 -14.111 4.428 1.00 75.00 O ATOM 0 H SER A 7 5.138 -15.143 4.836 1.00 75.00 H new ATOM 0 HA SER A 7 5.401 -14.309 1.989 1.00 75.00 H new ATOM 0 HB2 SER A 7 3.101 -13.393 2.500 1.00 75.00 H new ATOM 0 HB3 SER A 7 3.204 -15.136 2.648 1.00 75.00 H new ATOM 0 HG SER A 7 2.175 -14.476 4.488 1.00 75.00 H new ATOM 122 N HIS A 8 5.067 -11.641 2.761 1.00 50.00 N ATOM 123 CA HIS A 8 5.285 -10.256 3.237 1.00 50.00 C ATOM 124 C HIS A 8 4.702 -10.137 4.651 1.00 50.00 C ATOM 125 O HIS A 8 3.582 -10.618 4.905 1.00 50.00 O ATOM 126 CB HIS A 8 4.651 -9.188 2.294 1.00 50.00 C ATOM 127 CG HIS A 8 5.467 -8.855 1.067 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.206 -7.701 0.960 1.00 75.00 N ATOM 129 CD2 HIS A 8 5.619 -9.498 -0.111 1.00 75.00 C ATOM 130 CE1 HIS A 8 6.769 -7.644 -0.221 1.00 75.00 C ATOM 131 NE2 HIS A 8 6.428 -8.722 -0.902 1.00 75.00 N ATOM 0 H HIS A 8 4.487 -11.711 1.925 1.00 50.00 H new ATOM 0 HA HIS A 8 6.357 -10.057 3.242 1.00 50.00 H new ATOM 0 HB2 HIS A 8 3.671 -9.543 1.975 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.489 -8.273 2.863 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.301 -6.995 1.690 1.00 75.00 H new ATOM 0 HD2 HIS A 8 5.184 -10.449 -0.381 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.406 -6.848 -0.578 1.00 75.00 H new ATOM 140 N MET A 9 5.488 -9.537 5.565 1.00 10.00 N ATOM 141 CA MET A 9 5.116 -9.406 6.978 1.00 10.00 C ATOM 142 C MET A 9 3.857 -8.532 7.123 1.00 10.00 C ATOM 143 O MET A 9 3.734 -7.503 6.452 1.00 50.00 O ATOM 144 CB MET A 9 6.298 -8.816 7.825 1.00 50.00 C ATOM 145 CG MET A 9 6.763 -7.404 7.429 1.00 50.00 C ATOM 146 SD MET A 9 8.093 -6.788 8.487 1.00 50.00 S ATOM 147 CE MET A 9 8.369 -5.146 7.813 1.00 75.00 C ATOM 0 H MET A 9 6.397 -9.131 5.340 1.00 10.00 H new ATOM 0 HA MET A 9 4.896 -10.402 7.362 1.00 10.00 H new ATOM 0 HB2 MET A 9 5.997 -8.799 8.872 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.149 -9.493 7.749 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.103 -7.415 6.393 1.00 50.00 H new ATOM 0 HG3 MET A 9 5.917 -6.719 7.480 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.327 -4.765 8.165 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.376 -5.196 6.724 1.00 75.00 H new ATOM 0 HE3 MET A 9 7.571 -4.480 8.140 1.00 75.00 H new ATOM 157 N VAL A 10 2.904 -8.998 7.945 1.00 10.00 N ATOM 158 CA VAL A 10 1.764 -8.183 8.390 1.00 10.00 C ATOM 159 C VAL A 10 2.311 -6.976 9.174 1.00 10.00 C ATOM 160 O VAL A 10 2.830 -7.129 10.276 1.00 50.00 O ATOM 161 CB VAL A 10 0.764 -9.031 9.279 1.00 50.00 C ATOM 162 CG1 VAL A 10 -0.064 -10.018 8.428 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.521 -9.791 10.385 1.00 50.00 C ATOM 0 H VAL A 10 2.902 -9.947 8.319 1.00 10.00 H new ATOM 0 HA VAL A 10 1.200 -7.838 7.523 1.00 10.00 H new ATOM 0 HB VAL A 10 0.073 -8.327 9.744 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.737 -10.580 9.075 1.00 50.00 H new ATOM 0 HG12 VAL A 10 -0.647 -9.464 7.692 1.00 50.00 H new ATOM 0 HG13 VAL A 10 0.607 -10.708 7.915 1.00 50.00 H new ATOM 0 HG21 VAL A 10 0.813 -10.366 10.982 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.246 -10.467 9.931 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.041 -9.079 11.026 1.00 50.00 H new ATOM 173 N GLY A 11 2.229 -5.780 8.584 1.00 10.00 N ATOM 174 CA GLY A 11 2.898 -4.608 9.147 1.00 10.00 C ATOM 175 C GLY A 11 3.984 -4.046 8.235 1.00 10.00 C ATOM 176 O GLY A 11 4.761 -3.192 8.676 1.00 50.00 O ATOM 0 H GLY A 11 1.710 -5.600 7.724 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.157 -3.832 9.342 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.340 -4.875 10.107 1.00 10.00 H new ATOM 180 N ASP A 12 4.058 -4.548 6.970 1.00 10.00 N ATOM 181 CA ASP A 12 5.057 -4.086 5.969 1.00 10.00 C ATOM 182 C ASP A 12 4.873 -2.575 5.715 1.00 10.00 C ATOM 183 O ASP A 12 3.858 -2.159 5.159 1.00 50.00 O ATOM 184 CB ASP A 12 4.904 -4.885 4.639 1.00 50.00 C ATOM 185 CG ASP A 12 5.987 -4.628 3.553 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.945 -3.855 3.785 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.851 -5.202 2.444 1.00 50.00 O ATOM 0 H ASP A 12 3.434 -5.275 6.621 1.00 10.00 H new ATOM 0 HA ASP A 12 6.060 -4.262 6.358 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.904 -5.949 4.877 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.929 -4.654 4.211 1.00 50.00 H new ATOM 192 N THR A 13 5.875 -1.766 6.108 1.00 10.00 N ATOM 193 CA THR A 13 5.768 -0.303 6.085 1.00 10.00 C ATOM 194 C THR A 13 5.820 0.191 4.628 1.00 10.00 C ATOM 195 O THR A 13 6.815 -0.004 3.934 1.00 50.00 O ATOM 196 CB THR A 13 6.898 0.354 6.934 1.00 50.00 C ATOM 197 OG1 THR A 13 6.824 -0.150 8.286 1.00 50.00 O ATOM 198 CG2 THR A 13 6.812 1.902 6.933 1.00 50.00 C ATOM 0 H THR A 13 6.774 -2.109 6.447 1.00 10.00 H new ATOM 0 HA THR A 13 4.815 -0.011 6.527 1.00 10.00 H new ATOM 0 HB THR A 13 7.856 0.091 6.484 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.677 0.595 8.905 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.621 2.312 7.538 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.901 2.271 5.911 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.854 2.213 7.349 1.00 50.00 H new ATOM 206 N VAL A 14 4.698 0.760 4.173 1.00 10.00 N ATOM 207 CA VAL A 14 4.495 1.239 2.796 1.00 10.00 C ATOM 208 C VAL A 14 3.741 2.579 2.818 1.00 10.00 C ATOM 209 O VAL A 14 3.336 3.064 3.873 1.00 50.00 O ATOM 210 CB VAL A 14 3.667 0.205 1.937 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.426 -1.131 1.755 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.250 -0.012 2.545 1.00 50.00 C ATOM 0 H VAL A 14 3.882 0.905 4.767 1.00 10.00 H new ATOM 0 HA VAL A 14 5.478 1.361 2.341 1.00 10.00 H new ATOM 0 HB VAL A 14 3.539 0.629 0.941 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.822 -1.814 1.158 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.372 -0.946 1.247 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.619 -1.576 2.731 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.699 -0.728 1.936 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.345 -0.396 3.561 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.713 0.937 2.565 1.00 50.00 H new ATOM 222 N TRP A 15 3.559 3.152 1.628 1.00 10.00 N ATOM 223 CA TRP A 15 2.727 4.331 1.379 1.00 10.00 C ATOM 224 C TRP A 15 1.720 3.945 0.287 1.00 10.00 C ATOM 225 O TRP A 15 2.034 3.116 -0.567 1.00 50.00 O ATOM 226 CB TRP A 15 3.596 5.536 0.901 1.00 50.00 C ATOM 227 CG TRP A 15 4.669 6.010 1.874 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.715 5.833 3.231 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.831 6.790 1.547 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.836 6.420 3.752 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.536 7.021 2.743 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.345 7.306 0.358 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.720 7.753 2.782 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.520 8.030 0.395 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.199 8.249 1.600 1.00 50.00 C ATOM 0 H TRP A 15 4.002 2.796 0.781 1.00 10.00 H new ATOM 0 HA TRP A 15 2.221 4.638 2.294 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.079 5.261 -0.037 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.933 6.374 0.685 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.971 5.304 3.809 1.00 50.00 H new ATOM 0 HE1 TRP A 15 6.106 6.411 4.736 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.832 7.142 -0.578 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.242 7.923 3.712 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.923 8.435 -0.522 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.116 8.819 1.596 1.00 50.00 H new ATOM 246 N VAL A 16 0.520 4.532 0.315 1.00 10.00 N ATOM 247 CA VAL A 16 -0.511 4.304 -0.713 1.00 10.00 C ATOM 248 C VAL A 16 -0.637 5.571 -1.578 1.00 10.00 C ATOM 249 O VAL A 16 -1.167 6.596 -1.129 1.00 50.00 O ATOM 250 CB VAL A 16 -1.914 3.926 -0.088 1.00 50.00 C ATOM 251 CG1 VAL A 16 -2.992 3.721 -1.194 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.795 2.668 0.808 1.00 50.00 C ATOM 0 H VAL A 16 0.232 5.179 1.049 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.202 3.455 -1.323 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.236 4.760 0.535 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -3.944 3.462 -0.731 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.105 4.641 -1.767 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.682 2.915 -1.860 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.772 2.426 1.227 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.439 1.829 0.211 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.091 2.863 1.617 1.00 50.00 H new ATOM 262 N ARG A 17 -0.084 5.485 -2.796 1.00 10.00 N ATOM 263 CA ARG A 17 -0.187 6.517 -3.833 1.00 10.00 C ATOM 264 C ARG A 17 -1.643 6.584 -4.352 1.00 10.00 C ATOM 265 O ARG A 17 -2.042 5.805 -5.230 1.00 50.00 O ATOM 266 CB ARG A 17 0.811 6.183 -4.976 1.00 50.00 C ATOM 267 CG ARG A 17 0.799 7.177 -6.155 1.00 50.00 C ATOM 268 CD ARG A 17 1.664 6.717 -7.340 1.00 50.00 C ATOM 269 NE ARG A 17 3.104 6.688 -7.007 1.00 50.00 N ATOM 270 CZ ARG A 17 3.915 5.632 -7.162 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.461 4.479 -7.645 1.00 75.00 N ATOM 272 NH2 ARG A 17 5.196 5.758 -6.852 1.00 75.00 N ATOM 0 H ARG A 17 0.460 4.675 -3.093 1.00 10.00 H new ATOM 0 HA ARG A 17 0.068 7.495 -3.426 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.818 6.146 -4.561 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.586 5.187 -5.357 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.227 7.316 -6.495 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.155 8.147 -5.808 1.00 50.00 H new ATOM 0 HD2 ARG A 17 1.346 5.723 -7.654 1.00 50.00 H new ATOM 0 HD3 ARG A 17 1.503 7.386 -8.186 1.00 50.00 H new ATOM 0 HE ARG A 17 3.514 7.542 -6.628 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.479 4.386 -7.905 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.095 3.687 -7.755 1.00 75.00 H new ATOM 0 HH21 ARG A 17 5.551 6.648 -6.502 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.828 4.965 -6.963 1.00 75.00 H new ATOM 286 N ARG A 18 -2.438 7.484 -3.759 1.00 10.00 N ATOM 287 CA ARG A 18 -3.864 7.626 -4.081 1.00 10.00 C ATOM 288 C ARG A 18 -4.038 8.598 -5.269 1.00 10.00 C ATOM 289 O ARG A 18 -3.629 9.771 -5.199 1.00 50.00 O ATOM 290 CB ARG A 18 -4.660 8.116 -2.837 1.00 50.00 C ATOM 291 CG ARG A 18 -6.189 8.167 -3.063 1.00 50.00 C ATOM 292 CD ARG A 18 -6.988 8.523 -1.798 1.00 50.00 C ATOM 293 NE ARG A 18 -8.440 8.573 -2.081 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.411 8.102 -1.278 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.125 7.534 -0.113 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.675 8.190 -1.657 1.00 75.00 N ATOM 0 H ARG A 18 -2.111 8.133 -3.043 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.262 6.653 -4.368 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.447 7.456 -1.996 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.309 9.110 -2.559 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.409 8.900 -3.839 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.525 7.199 -3.434 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.791 7.785 -1.020 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.656 9.487 -1.414 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.729 9.001 -2.960 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.154 7.448 0.188 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.876 7.183 0.481 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.910 8.614 -2.555 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.415 7.834 -1.052 1.00 75.00 H new ATOM 310 N HIS A 19 -4.629 8.084 -6.365 1.00 50.00 N ATOM 311 CA HIS A 19 -4.880 8.851 -7.599 1.00 50.00 C ATOM 312 C HIS A 19 -6.334 9.335 -7.608 1.00 50.00 C ATOM 313 O HIS A 19 -7.261 8.523 -7.740 1.00 75.00 O ATOM 314 CB HIS A 19 -4.583 7.966 -8.837 1.00 75.00 C ATOM 315 CG HIS A 19 -4.507 8.707 -10.148 1.00 75.00 C ATOM 316 ND1 HIS A 19 -5.021 8.213 -11.322 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.889 9.867 -10.478 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.721 9.026 -12.306 1.00 75.00 C ATOM 319 NE2 HIS A 19 -4.038 10.042 -11.823 1.00 75.00 N ATOM 0 H HIS A 19 -4.948 7.117 -6.418 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.222 9.719 -7.636 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -3.638 7.447 -8.675 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -5.357 7.203 -8.913 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -3.373 10.531 -9.801 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -4.990 8.885 -13.342 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -3.680 10.829 -12.364 1.00 75.00 H new ATOM 328 N GLN A 20 -6.524 10.651 -7.434 1.00 75.00 N ATOM 329 CA GLN A 20 -7.857 11.272 -7.427 1.00 75.00 C ATOM 330 C GLN A 20 -8.433 11.341 -8.855 1.00 75.00 C ATOM 331 O GLN A 20 -9.358 10.598 -9.191 1.00 75.00 O ATOM 332 CB GLN A 20 -7.797 12.676 -6.761 1.00 75.00 C ATOM 333 CG GLN A 20 -7.378 12.654 -5.275 1.00 75.00 C ATOM 334 CD GLN A 20 -8.333 11.844 -4.387 1.00 75.00 C ATOM 335 OE1 GLN A 20 -8.167 10.639 -4.194 1.00 75.00 O ATOM 336 NE2 GLN A 20 -9.354 12.494 -3.857 1.00 75.00 N ATOM 0 H GLN A 20 -5.761 11.313 -7.295 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.530 10.653 -6.834 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -7.095 13.299 -7.316 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -8.776 13.147 -6.844 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -6.375 12.236 -5.194 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -7.328 13.678 -4.904 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -9.469 13.492 -4.032 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -10.027 11.998 -3.273 1.00 75.00 H new ATOM 345 N THR A 21 -7.861 12.217 -9.699 1.00 75.00 N ATOM 346 CA THR A 21 -8.295 12.395 -11.100 1.00 75.00 C ATOM 347 C THR A 21 -7.155 12.015 -12.053 1.00 75.00 C ATOM 348 O THR A 21 -5.982 12.062 -11.671 1.00 75.00 O ATOM 349 CB THR A 21 -8.730 13.875 -11.366 1.00 75.00 C ATOM 350 OG1 THR A 21 -7.645 14.762 -11.061 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.961 14.267 -10.531 1.00 75.00 C ATOM 0 H THR A 21 -7.085 12.822 -9.432 1.00 75.00 H new ATOM 0 HA THR A 21 -9.151 11.744 -11.277 1.00 75.00 H new ATOM 0 HB THR A 21 -8.997 13.957 -12.420 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.965 15.688 -11.076 1.00 75.00 H new ATOM 0 HG21 THR A 21 -10.231 15.301 -10.744 1.00 75.00 H new ATOM 0 HG22 THR A 21 -10.796 13.614 -10.785 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.729 14.164 -9.471 1.00 75.00 H new ATOM 359 N LYS A 22 -7.521 11.649 -13.290 1.00 75.00 N ATOM 360 CA LYS A 22 -6.571 11.281 -14.357 1.00 75.00 C ATOM 361 C LYS A 22 -5.823 12.521 -14.883 1.00 75.00 C ATOM 362 O LYS A 22 -4.689 12.407 -15.360 1.00 75.00 O ATOM 363 CB LYS A 22 -7.331 10.576 -15.515 1.00 75.00 C ATOM 364 CG LYS A 22 -8.157 9.346 -15.069 1.00 75.00 C ATOM 365 CD LYS A 22 -9.018 8.751 -16.214 1.00 75.00 C ATOM 366 CE LYS A 22 -10.069 9.747 -16.751 1.00 75.00 C ATOM 367 NZ LYS A 22 -10.898 9.150 -17.831 1.00 75.00 N ATOM 0 H LYS A 22 -8.496 11.599 -13.584 1.00 75.00 H new ATOM 0 HA LYS A 22 -5.832 10.595 -13.942 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -7.998 11.296 -15.989 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -6.611 10.262 -16.271 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -7.481 8.578 -14.692 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.808 9.632 -14.242 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -8.365 8.443 -17.031 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -9.524 7.855 -15.854 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -10.715 10.069 -15.934 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -9.566 10.637 -17.129 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -11.591 9.850 -18.164 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -10.285 8.866 -18.622 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -11.399 8.316 -17.463 1.00 75.00 H new ATOM 381 N ASN A 23 -6.479 13.698 -14.791 1.00 75.00 N ATOM 382 CA ASN A 23 -5.901 14.984 -15.242 1.00 75.00 C ATOM 383 C ASN A 23 -4.786 15.460 -14.292 1.00 50.00 C ATOM 384 O ASN A 23 -3.787 16.041 -14.736 1.00 50.00 O ATOM 385 CB ASN A 23 -7.003 16.077 -15.374 1.00 50.00 C ATOM 386 CG ASN A 23 -8.059 15.739 -16.436 1.00 75.00 C ATOM 387 OD1 ASN A 23 -9.104 15.157 -16.143 1.00 75.00 O ATOM 388 ND2 ASN A 23 -7.778 16.072 -17.687 1.00 75.00 N ATOM 0 H ASN A 23 -7.419 13.784 -14.404 1.00 75.00 H new ATOM 0 HA ASN A 23 -5.461 14.817 -16.225 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -7.494 16.208 -14.410 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -6.535 17.029 -15.625 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -8.434 15.847 -18.434 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -6.905 16.554 -17.903 1.00 75.00 H new ATOM 395 N LEU A 24 -4.960 15.199 -12.983 1.00 10.00 N ATOM 396 CA LEU A 24 -3.983 15.592 -11.943 1.00 50.00 C ATOM 397 C LEU A 24 -3.105 14.400 -11.543 1.00 50.00 C ATOM 398 O LEU A 24 -3.459 13.242 -11.786 1.00 50.00 O ATOM 399 CB LEU A 24 -4.709 16.159 -10.692 1.00 50.00 C ATOM 400 CG LEU A 24 -5.595 17.421 -10.925 1.00 75.00 C ATOM 401 CD1 LEU A 24 -6.260 17.875 -9.608 1.00 75.00 C ATOM 402 CD2 LEU A 24 -4.788 18.566 -11.575 1.00 75.00 C ATOM 0 H LEU A 24 -5.777 14.712 -12.615 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.345 16.371 -12.361 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -5.336 15.372 -10.274 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -3.958 16.401 -9.940 1.00 50.00 H new ATOM 0 HG LEU A 24 -6.387 17.149 -11.623 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -6.873 18.757 -9.795 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -6.888 17.072 -9.222 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -5.490 18.117 -8.876 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -5.436 19.430 -11.723 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -3.959 18.842 -10.924 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -4.398 18.236 -12.538 1.00 75.00 H new ATOM 414 N GLU A 25 -1.960 14.715 -10.918 1.00 50.00 N ATOM 415 CA GLU A 25 -0.989 13.717 -10.444 1.00 10.00 C ATOM 416 C GLU A 25 -1.519 13.007 -9.170 1.00 10.00 C ATOM 417 O GLU A 25 -2.318 13.589 -8.431 1.00 50.00 O ATOM 418 CB GLU A 25 0.370 14.407 -10.149 1.00 50.00 C ATOM 419 CG GLU A 25 0.986 15.143 -11.357 1.00 50.00 C ATOM 420 CD GLU A 25 2.357 15.763 -11.041 1.00 75.00 C ATOM 421 OE1 GLU A 25 2.401 16.892 -10.502 1.00 75.00 O ATOM 422 OE2 GLU A 25 3.391 15.112 -11.311 1.00 75.00 O ATOM 0 H GLU A 25 -1.680 15.677 -10.726 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.847 12.966 -11.221 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.233 15.120 -9.336 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.077 13.655 -9.798 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.091 14.445 -12.187 1.00 50.00 H new ATOM 0 HG3 GLU A 25 0.304 15.928 -11.685 1.00 50.00 H new ATOM 429 N PRO A 26 -1.105 11.729 -8.907 1.00 10.00 N ATOM 430 CA PRO A 26 -1.447 11.029 -7.650 1.00 50.00 C ATOM 431 C PRO A 26 -0.568 11.505 -6.468 1.00 10.00 C ATOM 432 O PRO A 26 0.604 11.853 -6.654 1.00 50.00 O ATOM 433 CB PRO A 26 -1.191 9.546 -8.010 1.00 50.00 C ATOM 434 CG PRO A 26 -0.087 9.583 -9.026 1.00 50.00 C ATOM 435 CD PRO A 26 -0.296 10.864 -9.815 1.00 50.00 C ATOM 0 HA PRO A 26 -2.466 11.217 -7.313 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -0.901 8.970 -7.131 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.087 9.077 -8.417 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.890 9.576 -8.543 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.126 8.711 -9.678 1.00 50.00 H new ATOM 0 HD2 PRO A 26 0.654 11.334 -10.070 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -0.819 10.673 -10.752 1.00 50.00 H new ATOM 443 N ARG A 27 -1.149 11.519 -5.260 1.00 10.00 N ATOM 444 CA ARG A 27 -0.442 11.905 -4.033 1.00 10.00 C ATOM 445 C ARG A 27 -0.404 10.711 -3.082 1.00 10.00 C ATOM 446 O ARG A 27 -1.442 10.080 -2.835 1.00 50.00 O ATOM 447 CB ARG A 27 -1.113 13.130 -3.354 1.00 50.00 C ATOM 448 CG ARG A 27 -0.479 13.528 -1.994 1.00 50.00 C ATOM 449 CD ARG A 27 -0.984 14.877 -1.457 1.00 50.00 C ATOM 450 NE ARG A 27 -0.596 15.999 -2.334 1.00 50.00 N ATOM 451 CZ ARG A 27 0.550 16.703 -2.237 1.00 75.00 C ATOM 452 NH1 ARG A 27 1.451 16.423 -1.297 1.00 75.00 N ATOM 453 NH2 ARG A 27 0.793 17.678 -3.095 1.00 75.00 N ATOM 0 H ARG A 27 -2.124 11.262 -5.107 1.00 10.00 H new ATOM 0 HA ARG A 27 0.576 12.198 -4.290 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.058 13.982 -4.031 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.170 12.913 -3.200 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.692 12.750 -1.261 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.604 13.572 -2.106 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.070 14.847 -1.364 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -0.583 15.043 -0.457 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.247 16.263 -3.073 1.00 50.00 H new ATOM 0 HH11 ARG A 27 1.280 15.666 -0.636 1.00 75.00 H new ATOM 0 HH12 ARG A 27 2.312 16.966 -1.238 1.00 75.00 H new ATOM 0 HH21 ARG A 27 0.115 17.895 -3.826 1.00 75.00 H new ATOM 0 HH22 ARG A 27 1.658 18.214 -3.026 1.00 75.00 H new ATOM 467 N TRP A 28 0.796 10.397 -2.562 1.00 10.00 N ATOM 468 CA TRP A 28 0.982 9.303 -1.607 1.00 10.00 C ATOM 469 C TRP A 28 0.495 9.732 -0.214 1.00 10.00 C ATOM 470 O TRP A 28 0.548 10.917 0.146 1.00 50.00 O ATOM 471 CB TRP A 28 2.467 8.819 -1.558 1.00 50.00 C ATOM 472 CG TRP A 28 3.473 9.818 -1.000 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.234 10.716 -1.704 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.842 9.999 0.388 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.044 11.424 -0.844 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.818 11.004 0.437 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.435 9.399 1.585 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.393 11.427 1.634 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.001 9.817 2.773 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.973 10.820 2.790 1.00 50.00 C ATOM 0 H TRP A 28 1.656 10.894 -2.794 1.00 10.00 H new ATOM 0 HA TRP A 28 0.384 8.456 -1.944 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.514 7.911 -0.957 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.774 8.548 -2.568 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.203 10.848 -2.775 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.708 12.148 -1.120 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.688 8.619 1.580 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.142 12.205 1.651 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.688 9.362 3.701 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.403 11.124 3.733 1.00 50.00 H new ATOM 491 N LYS A 29 0.012 8.751 0.539 1.00 10.00 N ATOM 492 CA LYS A 29 -0.343 8.881 1.956 1.00 10.00 C ATOM 493 C LYS A 29 0.393 7.779 2.718 1.00 10.00 C ATOM 494 O LYS A 29 0.516 6.667 2.203 1.00 50.00 O ATOM 495 CB LYS A 29 -1.877 8.747 2.144 1.00 50.00 C ATOM 496 CG LYS A 29 -2.712 9.891 1.530 1.00 50.00 C ATOM 497 CD LYS A 29 -4.236 9.704 1.722 1.00 50.00 C ATOM 498 CE LYS A 29 -4.635 9.457 3.191 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.149 10.520 4.110 1.00 75.00 N ATOM 0 H LYS A 29 -0.150 7.813 0.174 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.053 9.861 2.335 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.201 7.804 1.703 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.094 8.691 3.211 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.409 10.836 1.981 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.492 9.961 0.465 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.754 10.590 1.355 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.572 8.864 1.114 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -5.721 9.392 3.261 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.237 8.495 3.513 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -4.475 10.319 5.077 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -3.109 10.545 4.093 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -4.522 11.441 3.803 1.00 75.00 H new ATOM 513 N GLY A 30 0.900 8.076 3.921 1.00 10.00 N ATOM 514 CA GLY A 30 1.651 7.085 4.691 1.00 10.00 C ATOM 515 C GLY A 30 2.103 7.603 6.058 1.00 10.00 C ATOM 516 O GLY A 30 1.911 8.785 6.351 1.00 50.00 O ATOM 0 H GLY A 30 0.804 8.984 4.375 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.033 6.198 4.832 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.526 6.776 4.119 1.00 10.00 H new ATOM 520 N PRO A 31 2.737 6.741 6.925 1.00 10.00 N ATOM 521 CA PRO A 31 3.102 5.338 6.600 1.00 10.00 C ATOM 522 C PRO A 31 1.992 4.294 6.941 1.00 10.00 C ATOM 523 O PRO A 31 1.553 4.164 8.089 1.00 50.00 O ATOM 524 CB PRO A 31 4.378 5.133 7.460 1.00 50.00 C ATOM 525 CG PRO A 31 4.187 6.015 8.677 1.00 50.00 C ATOM 526 CD PRO A 31 3.154 7.083 8.309 1.00 50.00 C ATOM 0 HA PRO A 31 3.247 5.183 5.531 1.00 10.00 H new ATOM 0 HB2 PRO A 31 4.495 4.088 7.746 1.00 50.00 H new ATOM 0 HB3 PRO A 31 5.274 5.415 6.907 1.00 50.00 H new ATOM 0 HG2 PRO A 31 3.844 5.426 9.528 1.00 50.00 H new ATOM 0 HG3 PRO A 31 5.130 6.477 8.968 1.00 50.00 H new ATOM 0 HD2 PRO A 31 2.306 7.067 8.994 1.00 50.00 H new ATOM 0 HD3 PRO A 31 3.584 8.083 8.358 1.00 50.00 H new ATOM 534 N TYR A 32 1.539 3.580 5.896 1.00 10.00 N ATOM 535 CA TYR A 32 0.621 2.425 6.000 1.00 10.00 C ATOM 536 C TYR A 32 1.390 1.111 6.209 1.00 10.00 C ATOM 537 O TYR A 32 2.622 1.103 6.280 1.00 50.00 O ATOM 538 CB TYR A 32 -0.259 2.330 4.732 1.00 50.00 C ATOM 539 CG TYR A 32 -1.339 3.404 4.631 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.093 4.626 4.023 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.620 3.182 5.140 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.077 5.582 3.927 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.611 4.138 5.038 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.330 5.337 4.430 1.00 50.00 C ATOM 545 OH TYR A 32 -4.310 6.299 4.309 1.00 50.00 O ATOM 0 H TYR A 32 1.804 3.792 4.934 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.016 2.581 6.871 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.383 2.394 3.854 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.735 1.350 4.708 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.113 4.830 3.618 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -2.841 2.242 5.624 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.863 6.529 3.454 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.598 3.945 5.433 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.141 5.973 4.714 1.00 50.00 H new ATOM 555 N THR A 33 0.632 -0.003 6.330 1.00 10.00 N ATOM 556 CA THR A 33 1.179 -1.346 6.593 1.00 10.00 C ATOM 557 C THR A 33 0.455 -2.419 5.743 1.00 10.00 C ATOM 558 O THR A 33 -0.734 -2.660 5.945 1.00 50.00 O ATOM 559 CB THR A 33 1.041 -1.702 8.117 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.325 -1.554 8.538 1.00 50.00 O ATOM 561 CG2 THR A 33 1.955 -0.845 9.020 1.00 50.00 C ATOM 0 H THR A 33 -0.384 0.009 6.246 1.00 10.00 H new ATOM 0 HA THR A 33 2.233 -1.337 6.317 1.00 10.00 H new ATOM 0 HB THR A 33 1.359 -2.739 8.225 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.922 -1.760 7.789 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.815 -1.137 10.061 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.996 -1.000 8.736 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.700 0.208 8.901 1.00 50.00 H new ATOM 569 N VAL A 34 1.176 -3.055 4.789 1.00 10.00 N ATOM 570 CA VAL A 34 0.678 -4.235 4.054 1.00 10.00 C ATOM 571 C VAL A 34 0.567 -5.439 5.009 1.00 10.00 C ATOM 572 O VAL A 34 1.546 -5.809 5.683 1.00 50.00 O ATOM 573 CB VAL A 34 1.596 -4.603 2.814 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.192 -5.948 2.152 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.585 -3.473 1.767 1.00 50.00 C ATOM 0 H VAL A 34 2.113 -2.764 4.511 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.308 -3.985 3.662 1.00 10.00 H new ATOM 0 HB VAL A 34 2.608 -4.722 3.202 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.852 -6.151 1.309 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.277 -6.753 2.882 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.163 -5.885 1.799 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.222 -3.749 0.927 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.566 -3.314 1.413 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.959 -2.554 2.219 1.00 50.00 H new ATOM 585 N LEU A 35 -0.655 -5.992 5.091 1.00 10.00 N ATOM 586 CA LEU A 35 -0.955 -7.212 5.858 1.00 10.00 C ATOM 587 C LEU A 35 -0.874 -8.456 4.949 1.00 10.00 C ATOM 588 O LEU A 35 -0.614 -9.565 5.424 1.00 50.00 O ATOM 589 CB LEU A 35 -2.366 -7.118 6.512 1.00 50.00 C ATOM 590 CG LEU A 35 -2.629 -5.879 7.431 1.00 50.00 C ATOM 591 CD1 LEU A 35 -4.043 -5.936 8.049 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.543 -5.732 8.526 1.00 50.00 C ATOM 0 H LEU A 35 -1.471 -5.600 4.621 1.00 10.00 H new ATOM 0 HA LEU A 35 -0.211 -7.307 6.649 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.111 -7.117 5.717 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.530 -8.020 7.101 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.573 -4.991 6.802 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.199 -5.063 8.683 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.788 -5.944 7.253 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -4.142 -6.841 8.648 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.763 -4.860 9.142 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.534 -6.625 9.151 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.567 -5.608 8.056 1.00 50.00 H new ATOM 604 N LEU A 36 -1.100 -8.272 3.638 1.00 10.00 N ATOM 605 CA LEU A 36 -1.143 -9.391 2.683 1.00 10.00 C ATOM 606 C LEU A 36 -0.735 -8.941 1.275 1.00 10.00 C ATOM 607 O LEU A 36 -1.026 -7.827 0.854 1.00 50.00 O ATOM 608 CB LEU A 36 -2.571 -10.010 2.674 1.00 50.00 C ATOM 609 CG LEU A 36 -2.831 -11.167 1.659 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.928 -12.381 1.954 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.327 -11.555 1.628 1.00 50.00 C ATOM 0 H LEU A 36 -1.256 -7.357 3.215 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.425 -10.148 3.000 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.786 -10.382 3.676 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.286 -9.212 2.470 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.570 -10.807 0.664 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.132 -13.171 1.231 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.882 -12.083 1.881 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.130 -12.749 2.960 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.479 -12.363 0.912 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.638 -11.885 2.619 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.921 -10.691 1.330 1.00 50.00 H new ATOM 623 N THR A 37 -0.039 -9.830 0.563 1.00 10.00 N ATOM 624 CA THR A 37 0.336 -9.648 -0.844 1.00 10.00 C ATOM 625 C THR A 37 -0.467 -10.634 -1.714 1.00 10.00 C ATOM 626 O THR A 37 -0.784 -11.743 -1.283 1.00 50.00 O ATOM 627 CB THR A 37 1.875 -9.856 -1.015 1.00 50.00 C ATOM 628 OG1 THR A 37 2.560 -8.880 -0.218 1.00 50.00 O ATOM 629 CG2 THR A 37 2.360 -9.753 -2.478 1.00 50.00 C ATOM 0 H THR A 37 0.287 -10.714 0.954 1.00 10.00 H new ATOM 0 HA THR A 37 0.100 -8.634 -1.166 1.00 10.00 H new ATOM 0 HB THR A 37 2.098 -10.872 -0.690 1.00 50.00 H new ATOM 0 HG1 THR A 37 3.123 -8.323 -0.795 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.438 -9.909 -2.516 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.862 -10.513 -3.081 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.122 -8.765 -2.871 1.00 50.00 H new ATOM 637 N THR A 38 -0.812 -10.201 -2.926 1.00 10.00 N ATOM 638 CA THR A 38 -1.604 -10.976 -3.902 1.00 10.00 C ATOM 639 C THR A 38 -1.122 -10.620 -5.330 1.00 10.00 C ATOM 640 O THR A 38 -0.394 -9.617 -5.489 1.00 50.00 O ATOM 641 CB THR A 38 -3.148 -10.692 -3.731 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.368 -9.290 -3.562 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.770 -11.450 -2.541 1.00 50.00 C ATOM 0 H THR A 38 -0.546 -9.279 -3.273 1.00 10.00 H new ATOM 0 HA THR A 38 -1.456 -12.042 -3.728 1.00 10.00 H new ATOM 0 HB THR A 38 -3.635 -11.051 -4.637 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.222 -9.146 -3.103 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.832 -11.215 -2.475 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.645 -12.523 -2.687 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.274 -11.149 -1.618 1.00 50.00 H new ATOM 651 N PRO A 39 -1.438 -11.459 -6.378 1.00 10.00 N ATOM 652 CA PRO A 39 -1.061 -11.163 -7.780 1.00 10.00 C ATOM 653 C PRO A 39 -1.528 -9.754 -8.243 1.00 10.00 C ATOM 654 O PRO A 39 -2.732 -9.500 -8.383 1.00 50.00 O ATOM 655 CB PRO A 39 -1.724 -12.317 -8.607 1.00 50.00 C ATOM 656 CG PRO A 39 -2.680 -12.992 -7.665 1.00 50.00 C ATOM 657 CD PRO A 39 -2.109 -12.788 -6.279 1.00 50.00 C ATOM 0 HA PRO A 39 0.020 -11.130 -7.913 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.246 -11.924 -9.480 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.974 -13.018 -8.973 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -3.677 -12.559 -7.744 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -2.773 -14.053 -7.897 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.889 -12.789 -5.518 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.404 -13.576 -6.014 1.00 50.00 H new ATOM 665 N THR A 40 -0.530 -8.851 -8.403 1.00 10.00 N ATOM 666 CA THR A 40 -0.689 -7.452 -8.885 1.00 10.00 C ATOM 667 C THR A 40 -1.509 -6.578 -7.890 1.00 10.00 C ATOM 668 O THR A 40 -2.058 -5.527 -8.265 1.00 50.00 O ATOM 669 CB THR A 40 -1.309 -7.394 -10.343 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.803 -8.481 -11.132 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.977 -6.082 -11.076 1.00 50.00 C ATOM 0 H THR A 40 0.441 -9.082 -8.194 1.00 10.00 H new ATOM 0 HA THR A 40 0.314 -7.028 -8.938 1.00 10.00 H new ATOM 0 HB THR A 40 -2.390 -7.460 -10.223 1.00 50.00 H new ATOM 0 HG1 THR A 40 -1.191 -8.441 -12.031 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.426 -6.096 -12.069 1.00 50.00 H new ATOM 0 HG22 THR A 40 -1.374 -5.239 -10.510 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.104 -5.980 -11.168 1.00 50.00 H new ATOM 679 N ALA A 41 -1.534 -6.980 -6.605 1.00 10.00 N ATOM 680 CA ALA A 41 -2.302 -6.275 -5.562 1.00 10.00 C ATOM 681 C ALA A 41 -1.676 -6.494 -4.176 1.00 10.00 C ATOM 682 O ALA A 41 -0.932 -7.448 -3.960 1.00 50.00 O ATOM 683 CB ALA A 41 -3.771 -6.729 -5.579 1.00 50.00 C ATOM 0 H ALA A 41 -1.027 -7.796 -6.263 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.270 -5.207 -5.776 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.324 -6.200 -4.803 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.209 -6.508 -6.552 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -3.822 -7.802 -5.393 1.00 50.00 H new ATOM 689 N LEU A 42 -1.997 -5.586 -3.249 1.00 10.00 N ATOM 690 CA LEU A 42 -1.526 -5.612 -1.861 1.00 10.00 C ATOM 691 C LEU A 42 -2.693 -5.229 -0.950 1.00 10.00 C ATOM 692 O LEU A 42 -3.280 -4.150 -1.111 1.00 50.00 O ATOM 693 CB LEU A 42 -0.358 -4.598 -1.644 1.00 50.00 C ATOM 694 CG LEU A 42 0.968 -4.877 -2.420 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.008 -3.779 -2.169 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.538 -6.259 -2.068 1.00 50.00 C ATOM 0 H LEU A 42 -2.607 -4.793 -3.448 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.159 -6.612 -1.630 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.713 -3.606 -1.923 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.128 -4.567 -0.579 1.00 50.00 H new ATOM 0 HG LEU A 42 0.729 -4.871 -3.483 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.918 -4.006 -2.725 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.611 -2.819 -2.499 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.236 -3.730 -1.104 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.461 -6.424 -2.624 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.745 -6.306 -0.999 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.813 -7.029 -2.331 1.00 50.00 H new ATOM 708 N LYS A 43 -3.020 -6.100 0.005 1.00 10.00 N ATOM 709 CA LYS A 43 -3.976 -5.771 1.055 1.00 10.00 C ATOM 710 C LYS A 43 -3.224 -5.033 2.160 1.00 10.00 C ATOM 711 O LYS A 43 -2.383 -5.612 2.856 1.00 50.00 O ATOM 712 CB LYS A 43 -4.650 -7.033 1.645 1.00 50.00 C ATOM 713 CG LYS A 43 -5.598 -6.716 2.831 1.00 50.00 C ATOM 714 CD LYS A 43 -6.375 -7.943 3.341 1.00 50.00 C ATOM 715 CE LYS A 43 -7.392 -7.568 4.432 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.378 -6.554 3.957 1.00 75.00 N ATOM 0 H LYS A 43 -2.633 -7.042 0.070 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.766 -5.153 0.629 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.215 -7.537 0.861 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.879 -7.727 1.979 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.014 -6.299 3.651 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.308 -5.948 2.523 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.895 -8.415 2.507 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.674 -8.678 3.736 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.922 -8.464 4.756 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -6.863 -7.178 5.302 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -9.312 -6.761 4.364 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.073 -5.606 4.256 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -8.437 -6.587 2.919 1.00 75.00 H new ATOM 730 N VAL A 44 -3.519 -3.743 2.257 1.00 10.00 N ATOM 731 CA VAL A 44 -3.024 -2.869 3.317 1.00 10.00 C ATOM 732 C VAL A 44 -4.061 -2.851 4.467 1.00 10.00 C ATOM 733 O VAL A 44 -5.241 -3.164 4.251 1.00 50.00 O ATOM 734 CB VAL A 44 -2.775 -1.420 2.733 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.284 -0.439 3.812 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.799 -1.460 1.524 1.00 50.00 C ATOM 0 H VAL A 44 -4.121 -3.264 1.588 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.076 -3.236 3.710 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.736 -1.050 2.377 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.126 0.543 3.366 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.031 -0.363 4.602 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.346 -0.801 4.233 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.648 -0.449 1.145 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.843 -1.875 1.842 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.221 -2.084 0.736 1.00 50.00 H new ATOM 746 N ASP A 45 -3.600 -2.522 5.685 1.00 10.00 N ATOM 747 CA ASP A 45 -4.454 -2.364 6.870 1.00 10.00 C ATOM 748 C ASP A 45 -5.502 -1.262 6.624 1.00 10.00 C ATOM 749 O ASP A 45 -5.172 -0.201 6.071 1.00 50.00 O ATOM 750 CB ASP A 45 -3.564 -2.011 8.089 1.00 50.00 C ATOM 751 CG ASP A 45 -4.332 -1.949 9.424 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.497 -3.007 10.075 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.773 -0.847 9.828 1.00 50.00 O ATOM 0 H ASP A 45 -2.612 -2.357 5.875 1.00 10.00 H new ATOM 0 HA ASP A 45 -4.984 -3.295 7.070 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.768 -2.751 8.173 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.086 -1.048 7.911 1.00 50.00 H new ATOM 758 N GLY A 46 -6.766 -1.548 6.981 1.00 10.00 N ATOM 759 CA GLY A 46 -7.868 -0.597 6.824 1.00 10.00 C ATOM 760 C GLY A 46 -8.517 -0.634 5.445 1.00 10.00 C ATOM 761 O GLY A 46 -9.557 0.004 5.246 1.00 50.00 O ATOM 0 H GLY A 46 -7.046 -2.442 7.384 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.626 -0.805 7.579 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.497 0.410 7.014 1.00 10.00 H new ATOM 765 N ILE A 47 -7.919 -1.378 4.488 1.00 10.00 N ATOM 766 CA ILE A 47 -8.443 -1.494 3.110 1.00 10.00 C ATOM 767 C ILE A 47 -9.500 -2.615 3.035 1.00 10.00 C ATOM 768 O ILE A 47 -9.367 -3.638 3.724 1.00 50.00 O ATOM 769 CB ILE A 47 -7.277 -1.763 2.074 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.251 -0.584 2.094 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.804 -2.026 0.633 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.802 0.773 1.684 1.00 50.00 C ATOM 0 H ILE A 47 -7.065 -1.912 4.648 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.913 -0.547 2.845 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.771 -2.676 2.386 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.840 -0.500 3.100 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.423 -0.835 1.431 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.962 -2.204 -0.036 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.455 -2.900 0.638 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.365 -1.158 0.287 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -6.008 1.518 1.733 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.185 0.717 0.665 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.609 1.057 2.360 1.00 50.00 H new ATOM 784 N ALA A 48 -10.531 -2.390 2.181 1.00 10.00 N ATOM 785 CA ALA A 48 -11.689 -3.284 1.995 1.00 10.00 C ATOM 786 C ALA A 48 -11.255 -4.710 1.631 1.00 10.00 C ATOM 787 O ALA A 48 -11.700 -5.676 2.259 1.00 50.00 O ATOM 788 CB ALA A 48 -12.642 -2.712 0.921 1.00 50.00 C ATOM 0 H ALA A 48 -10.575 -1.559 1.591 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.221 -3.339 2.945 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.492 -3.383 0.795 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.998 -1.731 1.235 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.109 -2.619 -0.025 1.00 50.00 H new ATOM 794 N ALA A 49 -10.368 -4.837 0.621 1.00 10.00 N ATOM 795 CA ALA A 49 -9.770 -6.134 0.262 1.00 10.00 C ATOM 796 C ALA A 49 -8.354 -5.970 -0.297 1.00 10.00 C ATOM 797 O ALA A 49 -7.413 -6.527 0.259 1.00 50.00 O ATOM 798 CB ALA A 49 -10.667 -6.899 -0.733 1.00 50.00 C ATOM 0 H ALA A 49 -10.053 -4.058 0.043 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.695 -6.721 1.177 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.203 -7.853 -0.982 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.643 -7.077 -0.281 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.790 -6.308 -1.640 1.00 50.00 H new ATOM 804 N TRP A 50 -8.194 -5.198 -1.393 1.00 10.00 N ATOM 805 CA TRP A 50 -6.880 -5.009 -2.062 1.00 10.00 C ATOM 806 C TRP A 50 -6.727 -3.588 -2.625 1.00 10.00 C ATOM 807 O TRP A 50 -7.715 -2.890 -2.876 1.00 50.00 O ATOM 808 CB TRP A 50 -6.652 -6.026 -3.220 1.00 50.00 C ATOM 809 CG TRP A 50 -6.798 -7.480 -2.823 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.903 -8.241 -2.120 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.891 -8.358 -3.147 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.392 -9.514 -1.960 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.602 -9.616 -2.586 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.089 -8.197 -3.849 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.461 -10.706 -2.706 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.943 -9.276 -3.968 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.625 -10.520 -3.399 1.00 50.00 C ATOM 0 H TRP A 50 -8.959 -4.692 -1.838 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.132 -5.179 -1.288 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.360 -5.809 -4.020 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.653 -5.873 -3.628 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.952 -7.891 -1.746 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.925 -10.266 -1.453 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.343 -7.245 -4.291 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.217 -11.662 -2.268 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.871 -9.161 -4.508 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.313 -11.345 -3.511 1.00 50.00 H new ATOM 828 N ILE A 51 -5.462 -3.193 -2.807 1.00 10.00 N ATOM 829 CA ILE A 51 -5.042 -2.015 -3.584 1.00 10.00 C ATOM 830 C ILE A 51 -4.106 -2.517 -4.690 1.00 10.00 C ATOM 831 O ILE A 51 -3.160 -3.248 -4.386 1.00 50.00 O ATOM 832 CB ILE A 51 -4.281 -0.948 -2.691 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.223 -0.360 -1.595 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.647 0.185 -3.547 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.430 0.397 -2.129 1.00 50.00 C ATOM 0 H ILE A 51 -4.674 -3.700 -2.405 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.923 -1.517 -3.989 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.464 -1.471 -2.194 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.574 -1.175 -0.962 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.644 0.310 -0.960 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.137 0.892 -2.894 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.930 -0.245 -4.246 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.429 0.703 -4.102 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -7.025 0.768 -1.295 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.093 1.237 -2.736 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -7.038 -0.271 -2.739 1.00 50.00 H new ATOM 847 N HIS A 52 -4.363 -2.124 -5.956 1.00 10.00 N ATOM 848 CA HIS A 52 -3.500 -2.490 -7.101 1.00 10.00 C ATOM 849 C HIS A 52 -2.054 -2.035 -6.794 1.00 10.00 C ATOM 850 O HIS A 52 -1.859 -0.866 -6.447 1.00 50.00 O ATOM 851 CB HIS A 52 -4.021 -1.823 -8.399 1.00 50.00 C ATOM 852 CG HIS A 52 -3.366 -2.308 -9.666 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.150 -1.850 -10.120 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.783 -3.217 -10.582 1.00 50.00 C ATOM 855 CE1 HIS A 52 -1.849 -2.454 -11.251 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.822 -3.283 -11.548 1.00 50.00 N ATOM 0 H HIS A 52 -5.166 -1.550 -6.212 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.517 -3.570 -7.250 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.095 -1.995 -8.473 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -3.875 -0.746 -8.321 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.703 -3.782 -10.552 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -0.954 -2.294 -11.834 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.855 -3.883 -12.372 1.00 50.00 H new ATOM 865 N ALA A 53 -1.085 -2.972 -6.920 1.00 10.00 N ATOM 866 CA ALA A 53 0.294 -2.849 -6.378 1.00 10.00 C ATOM 867 C ALA A 53 1.005 -1.540 -6.774 1.00 10.00 C ATOM 868 O ALA A 53 1.689 -0.948 -5.951 1.00 50.00 O ATOM 869 CB ALA A 53 1.142 -4.083 -6.779 1.00 50.00 C ATOM 0 H ALA A 53 -1.240 -3.853 -7.410 1.00 10.00 H new ATOM 0 HA ALA A 53 0.194 -2.813 -5.293 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.149 -3.979 -6.375 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.682 -4.986 -6.379 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.192 -4.153 -7.866 1.00 50.00 H new ATOM 875 N ALA A 54 0.802 -1.083 -8.024 1.00 10.00 N ATOM 876 CA ALA A 54 1.465 0.138 -8.553 1.00 10.00 C ATOM 877 C ALA A 54 0.942 1.453 -7.912 1.00 10.00 C ATOM 878 O ALA A 54 1.453 2.537 -8.209 1.00 50.00 O ATOM 879 CB ALA A 54 1.348 0.181 -10.081 1.00 50.00 C ATOM 0 H ALA A 54 0.182 -1.539 -8.694 1.00 10.00 H new ATOM 0 HA ALA A 54 2.517 0.073 -8.274 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.837 1.079 -10.458 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.828 -0.700 -10.508 1.00 50.00 H new ATOM 0 HB3 ALA A 54 0.296 0.194 -10.365 1.00 50.00 H new ATOM 885 N HIS A 55 -0.079 1.344 -7.041 1.00 10.00 N ATOM 886 CA HIS A 55 -0.570 2.457 -6.188 1.00 10.00 C ATOM 887 C HIS A 55 0.039 2.361 -4.778 1.00 10.00 C ATOM 888 O HIS A 55 -0.464 2.992 -3.847 1.00 50.00 O ATOM 889 CB HIS A 55 -2.127 2.426 -6.078 1.00 50.00 C ATOM 890 CG HIS A 55 -2.871 2.879 -7.298 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.078 4.206 -7.595 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.465 2.181 -8.287 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.779 4.301 -8.705 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.024 3.089 -9.148 1.00 50.00 N ATOM 0 H HIS A 55 -0.595 0.475 -6.904 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.264 3.394 -6.653 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.437 1.408 -5.843 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.427 3.053 -5.238 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.741 4.994 -7.041 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.495 1.106 -8.383 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.099 5.220 -9.173 1.00 50.00 H new ATOM 903 N VAL A 56 1.109 1.560 -4.612 1.00 10.00 N ATOM 904 CA VAL A 56 1.775 1.356 -3.309 1.00 10.00 C ATOM 905 C VAL A 56 3.304 1.490 -3.483 1.00 10.00 C ATOM 906 O VAL A 56 3.884 0.867 -4.371 1.00 50.00 O ATOM 907 CB VAL A 56 1.441 -0.060 -2.691 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.121 -0.248 -1.317 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.087 -0.302 -2.586 1.00 50.00 C ATOM 0 H VAL A 56 1.536 1.036 -5.376 1.00 10.00 H new ATOM 0 HA VAL A 56 1.403 2.118 -2.624 1.00 10.00 H new ATOM 0 HB VAL A 56 1.844 -0.807 -3.375 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.871 -1.232 -0.919 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.202 -0.167 -1.432 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.770 0.521 -0.629 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.271 -1.287 -2.156 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.533 0.461 -1.948 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.533 -0.251 -3.579 1.00 50.00 H new ATOM 919 N LYS A 57 3.943 2.301 -2.622 1.00 10.00 N ATOM 920 CA LYS A 57 5.401 2.470 -2.591 1.00 10.00 C ATOM 921 C LYS A 57 5.947 1.879 -1.285 1.00 10.00 C ATOM 922 O LYS A 57 5.538 2.311 -0.212 1.00 50.00 O ATOM 923 CB LYS A 57 5.768 3.976 -2.682 1.00 50.00 C ATOM 924 CG LYS A 57 7.292 4.268 -2.591 1.00 50.00 C ATOM 925 CD LYS A 57 7.632 5.776 -2.616 1.00 50.00 C ATOM 926 CE LYS A 57 7.238 6.467 -3.929 1.00 50.00 C ATOM 927 NZ LYS A 57 8.001 5.924 -5.079 1.00 75.00 N ATOM 0 H LYS A 57 3.455 2.861 -1.923 1.00 10.00 H new ATOM 0 HA LYS A 57 5.843 1.952 -3.442 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.389 4.374 -3.623 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.259 4.511 -1.881 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.684 3.830 -1.673 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.799 3.775 -3.421 1.00 50.00 H new ATOM 0 HD2 LYS A 57 7.124 6.269 -1.787 1.00 50.00 H new ATOM 0 HD3 LYS A 57 8.702 5.902 -2.454 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.170 6.335 -4.105 1.00 50.00 H new ATOM 0 HE3 LYS A 57 7.417 7.539 -3.845 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 7.812 6.500 -5.924 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 9.018 5.948 -4.863 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.708 4.942 -5.257 1.00 75.00 H new ATOM 941 N ALA A 58 6.869 0.905 -1.377 1.00 10.00 N ATOM 942 CA ALA A 58 7.518 0.312 -0.188 1.00 10.00 C ATOM 943 C ALA A 58 8.386 1.375 0.523 1.00 10.00 C ATOM 944 O ALA A 58 9.216 2.028 -0.113 1.00 50.00 O ATOM 945 CB ALA A 58 8.367 -0.905 -0.587 1.00 50.00 C ATOM 0 H ALA A 58 7.184 0.509 -2.263 1.00 10.00 H new ATOM 0 HA ALA A 58 6.746 -0.027 0.502 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.837 -1.328 0.301 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.729 -1.656 -1.053 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.138 -0.595 -1.293 1.00 50.00 H new ATOM 951 N ALA A 59 8.159 1.557 1.830 1.00 10.00 N ATOM 952 CA ALA A 59 8.879 2.541 2.663 1.00 10.00 C ATOM 953 C ALA A 59 9.773 1.811 3.681 1.00 10.00 C ATOM 954 O ALA A 59 9.416 0.744 4.183 1.00 50.00 O ATOM 955 CB ALA A 59 7.866 3.464 3.369 1.00 50.00 C ATOM 0 H ALA A 59 7.463 1.021 2.349 1.00 10.00 H new ATOM 0 HA ALA A 59 9.520 3.157 2.032 1.00 10.00 H new ATOM 0 HB1 ALA A 59 8.401 4.189 3.983 1.00 50.00 H new ATOM 0 HB2 ALA A 59 7.271 3.990 2.622 1.00 50.00 H new ATOM 0 HB3 ALA A 59 7.209 2.867 4.002 1.00 50.00 H new ATOM 961 N ASP A 60 10.940 2.400 3.975 1.00 10.00 N ATOM 962 CA ASP A 60 11.895 1.868 4.962 1.00 10.00 C ATOM 963 C ASP A 60 11.562 2.453 6.358 1.00 50.00 C ATOM 964 O ASP A 60 11.688 3.667 6.548 1.00 50.00 O ATOM 965 CB ASP A 60 13.350 2.231 4.523 1.00 50.00 C ATOM 966 CG ASP A 60 14.486 1.608 5.367 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.223 0.906 6.376 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.667 1.819 5.013 1.00 75.00 O ATOM 0 H ASP A 60 11.252 3.265 3.533 1.00 10.00 H new ATOM 0 HA ASP A 60 11.819 0.782 5.018 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.483 1.923 3.486 1.00 50.00 H new ATOM 0 HB3 ASP A 60 13.457 3.315 4.550 1.00 50.00 H new ATOM 973 N PRO A 61 11.097 1.610 7.344 1.00 50.00 N ATOM 974 CA PRO A 61 10.752 2.084 8.716 1.00 50.00 C ATOM 975 C PRO A 61 12.002 2.432 9.562 1.00 50.00 C ATOM 976 O PRO A 61 11.874 3.005 10.649 1.00 75.00 O ATOM 977 CB PRO A 61 9.975 0.883 9.316 1.00 75.00 C ATOM 978 CG PRO A 61 10.534 -0.321 8.611 1.00 75.00 C ATOM 979 CD PRO A 61 10.865 0.137 7.201 1.00 50.00 C ATOM 0 HA PRO A 61 10.178 3.011 8.702 1.00 50.00 H new ATOM 0 HB2 PRO A 61 10.122 0.815 10.394 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.903 0.980 9.146 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.423 -0.693 9.119 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.810 -1.136 8.597 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.748 -0.370 6.813 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.048 -0.073 6.511 1.00 50.00 H new ATOM 987 N GLY A 62 13.194 2.082 9.046 1.00 50.00 N ATOM 988 CA GLY A 62 14.468 2.286 9.739 1.00 50.00 C ATOM 989 C GLY A 62 15.160 0.962 10.051 1.00 75.00 C ATOM 990 O GLY A 62 15.891 0.851 11.045 1.00 75.00 O ATOM 0 H GLY A 62 13.295 1.647 8.129 1.00 50.00 H new ATOM 0 HA2 GLY A 62 15.123 2.902 9.123 1.00 50.00 H new ATOM 0 HA3 GLY A 62 14.295 2.833 10.666 1.00 50.00 H new ATOM 994 N GLY A 63 14.925 -0.052 9.192 1.00 75.00 N ATOM 995 CA GLY A 63 15.461 -1.399 9.379 1.00 75.00 C ATOM 996 C GLY A 63 14.338 -2.419 9.499 1.00 75.00 C ATOM 997 O GLY A 63 14.316 -3.428 8.774 1.00 75.00 O ATOM 0 H GLY A 63 14.357 0.050 8.351 1.00 75.00 H new ATOM 0 HA2 GLY A 63 16.105 -1.658 8.539 1.00 75.00 H new ATOM 0 HA3 GLY A 63 16.080 -1.427 10.276 1.00 75.00 H new ATOM 1001 N GLY A 64 13.380 -2.137 10.403 1.00 75.00 N ATOM 1002 CA GLY A 64 12.228 -3.021 10.634 1.00 75.00 C ATOM 1003 C GLY A 64 11.580 -2.726 11.988 1.00 75.00 C ATOM 1004 O GLY A 64 10.710 -1.845 12.068 1.00 75.00 O ATOM 0 H GLY A 64 13.384 -1.300 10.986 1.00 75.00 H new ATOM 0 HA2 GLY A 64 11.495 -2.887 9.838 1.00 75.00 H new ATOM 0 HA3 GLY A 64 12.550 -4.062 10.599 1.00 75.00 H new ATOM 1008 N PRO A 65 12.036 -3.407 13.098 1.00 75.00 N ATOM 1009 CA PRO A 65 11.509 -3.172 14.475 1.00 75.00 C ATOM 1010 C PRO A 65 12.142 -1.940 15.171 1.00 75.00 C ATOM 1011 O PRO A 65 12.273 -1.905 16.402 1.00 75.00 O ATOM 1012 CB PRO A 65 11.885 -4.494 15.192 1.00 75.00 C ATOM 1013 CG PRO A 65 13.181 -4.907 14.556 1.00 75.00 C ATOM 1014 CD PRO A 65 13.077 -4.486 13.095 1.00 75.00 C ATOM 0 HA PRO A 65 10.443 -2.943 14.486 1.00 75.00 H new ATOM 0 HB2 PRO A 65 11.999 -4.345 16.266 1.00 75.00 H new ATOM 0 HB3 PRO A 65 11.115 -5.253 15.055 1.00 75.00 H new ATOM 0 HG2 PRO A 65 14.028 -4.423 15.043 1.00 75.00 H new ATOM 0 HG3 PRO A 65 13.335 -5.983 14.643 1.00 75.00 H new ATOM 0 HD2 PRO A 65 14.031 -4.118 12.717 1.00 75.00 H new ATOM 0 HD3 PRO A 65 12.783 -5.321 12.459 1.00 75.00 H new ATOM 1022 N SER A 66 12.509 -0.922 14.369 1.00 75.00 N ATOM 1023 CA SER A 66 13.025 0.362 14.865 1.00 75.00 C ATOM 1024 C SER A 66 11.890 1.205 15.479 1.00 75.00 C ATOM 1025 O SER A 66 12.129 2.062 16.345 1.00 75.00 O ATOM 1026 CB SER A 66 13.700 1.109 13.697 1.00 75.00 C ATOM 1027 OG SER A 66 12.857 1.136 12.557 1.00 75.00 O ATOM 0 H SER A 66 12.454 -0.971 13.352 1.00 75.00 H new ATOM 0 HA SER A 66 13.758 0.184 15.651 1.00 75.00 H new ATOM 0 HB2 SER A 66 13.939 2.128 14.002 1.00 75.00 H new ATOM 0 HB3 SER A 66 14.642 0.623 13.446 1.00 75.00 H new ATOM 0 HG SER A 66 12.834 2.044 12.189 1.00 75.00 H new ATOM 1033 N SER A 67 10.658 0.962 14.994 1.00 75.00 N ATOM 1034 CA SER A 67 9.439 1.559 15.540 1.00 75.00 C ATOM 1035 C SER A 67 8.864 0.624 16.627 1.00 75.00 C ATOM 1036 O SER A 67 9.061 0.865 17.826 1.00 75.00 O ATOM 1037 CB SER A 67 8.417 1.824 14.403 1.00 75.00 C ATOM 1038 OG SER A 67 7.207 2.366 14.902 1.00 75.00 O ATOM 0 H SER A 67 10.486 0.339 14.205 1.00 75.00 H new ATOM 0 HA SER A 67 9.665 2.521 16.000 1.00 75.00 H new ATOM 0 HB2 SER A 67 8.851 2.511 13.676 1.00 75.00 H new ATOM 0 HB3 SER A 67 8.209 0.893 13.876 1.00 75.00 H new ATOM 0 HG SER A 67 6.587 2.522 14.159 1.00 75.00 H new ATOM 1044 N ARG A 68 8.206 -0.469 16.188 1.00 75.00 N ATOM 1045 CA ARG A 68 7.549 -1.456 17.076 1.00 75.00 C ATOM 1046 C ARG A 68 7.596 -2.856 16.434 1.00 75.00 C ATOM 1047 O ARG A 68 8.014 -3.007 15.276 1.00 75.00 O ATOM 1048 CB ARG A 68 6.058 -1.055 17.376 1.00 75.00 C ATOM 1049 CG ARG A 68 5.863 0.111 18.379 1.00 75.00 C ATOM 1050 CD ARG A 68 4.378 0.372 18.717 1.00 75.00 C ATOM 1051 NE ARG A 68 4.205 1.460 19.702 1.00 75.00 N ATOM 1052 CZ ARG A 68 3.106 1.644 20.462 1.00 75.00 C ATOM 1053 NH1 ARG A 68 2.064 0.820 20.373 1.00 75.00 N ATOM 1054 NH2 ARG A 68 3.052 2.660 21.311 1.00 75.00 N ATOM 0 H ARG A 68 8.114 -0.695 15.198 1.00 75.00 H new ATOM 0 HA ARG A 68 8.092 -1.471 18.021 1.00 75.00 H new ATOM 0 HB2 ARG A 68 5.578 -0.785 16.436 1.00 75.00 H new ATOM 0 HB3 ARG A 68 5.536 -1.931 17.760 1.00 75.00 H new ATOM 0 HG2 ARG A 68 6.406 -0.112 19.298 1.00 75.00 H new ATOM 0 HG3 ARG A 68 6.301 1.018 17.963 1.00 75.00 H new ATOM 0 HD2 ARG A 68 3.840 0.624 17.803 1.00 75.00 H new ATOM 0 HD3 ARG A 68 3.932 -0.542 19.108 1.00 75.00 H new ATOM 0 HE ARG A 68 4.974 2.121 19.816 1.00 75.00 H new ATOM 0 HH11 ARG A 68 2.089 0.035 19.722 1.00 75.00 H new ATOM 0 HH12 ARG A 68 1.241 0.974 20.955 1.00 75.00 H new ATOM 0 HH21 ARG A 68 3.841 3.302 21.389 1.00 75.00 H new ATOM 0 HH22 ARG A 68 2.221 2.800 21.886 1.00 75.00 H new ATOM 1068 N LEU A 69 7.168 -3.874 17.205 1.00 75.00 N ATOM 1069 CA LEU A 69 6.982 -5.242 16.703 1.00 75.00 C ATOM 1070 C LEU A 69 5.614 -5.348 16.013 1.00 75.00 C ATOM 1071 O LEU A 69 4.607 -4.847 16.535 1.00 75.00 O ATOM 1072 CB LEU A 69 7.096 -6.273 17.856 1.00 75.00 C ATOM 1073 CG LEU A 69 8.489 -6.356 18.551 1.00 75.00 C ATOM 1074 CD1 LEU A 69 8.481 -7.369 19.718 1.00 75.00 C ATOM 1075 CD2 LEU A 69 9.604 -6.683 17.529 1.00 75.00 C ATOM 0 H LEU A 69 6.942 -3.767 18.194 1.00 75.00 H new ATOM 0 HA LEU A 69 7.767 -5.466 15.980 1.00 75.00 H new ATOM 0 HB2 LEU A 69 6.347 -6.031 18.611 1.00 75.00 H new ATOM 0 HB3 LEU A 69 6.846 -7.259 17.464 1.00 75.00 H new ATOM 0 HG LEU A 69 8.704 -5.375 18.974 1.00 75.00 H new ATOM 0 HD11 LEU A 69 9.468 -7.401 20.179 1.00 75.00 H new ATOM 0 HD12 LEU A 69 7.743 -7.063 20.460 1.00 75.00 H new ATOM 0 HD13 LEU A 69 8.226 -8.359 19.339 1.00 75.00 H new ATOM 0 HD21 LEU A 69 10.564 -6.735 18.042 1.00 75.00 H new ATOM 0 HD22 LEU A 69 9.394 -7.642 17.055 1.00 75.00 H new ATOM 0 HD23 LEU A 69 9.641 -5.903 16.768 1.00 75.00 H new ATOM 1087 N THR A 70 5.597 -6.001 14.849 1.00 75.00 N ATOM 1088 CA THR A 70 4.403 -6.135 14.013 1.00 75.00 C ATOM 1089 C THR A 70 3.472 -7.244 14.566 1.00 75.00 C ATOM 1090 O THR A 70 3.924 -8.371 14.810 1.00 75.00 O ATOM 1091 CB THR A 70 4.825 -6.436 12.538 1.00 75.00 C ATOM 1092 OG1 THR A 70 5.640 -7.625 12.480 1.00 75.00 O ATOM 1093 CG2 THR A 70 5.597 -5.256 11.912 1.00 75.00 C ATOM 0 H THR A 70 6.421 -6.456 14.457 1.00 75.00 H new ATOM 0 HA THR A 70 3.846 -5.198 14.031 1.00 75.00 H new ATOM 0 HB THR A 70 3.910 -6.589 11.966 1.00 75.00 H new ATOM 0 HG1 THR A 70 5.337 -8.263 13.160 1.00 75.00 H new ATOM 0 HG21 THR A 70 5.873 -5.504 10.887 1.00 75.00 H new ATOM 0 HG22 THR A 70 4.966 -4.367 11.913 1.00 75.00 H new ATOM 0 HG23 THR A 70 6.498 -5.062 12.493 1.00 75.00 H new ATOM 1101 N TRP A 71 2.182 -6.903 14.775 1.00 75.00 N ATOM 1102 CA TRP A 71 1.162 -7.850 15.273 1.00 75.00 C ATOM 1103 C TRP A 71 0.804 -8.839 14.152 1.00 75.00 C ATOM 1104 O TRP A 71 0.452 -8.412 13.044 1.00 75.00 O ATOM 1105 CB TRP A 71 -0.098 -7.079 15.747 1.00 75.00 C ATOM 1106 CG TRP A 71 0.179 -6.105 16.876 1.00 75.00 C ATOM 1107 CD1 TRP A 71 0.702 -4.840 16.771 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -0.039 -6.325 18.283 1.00 75.00 C ATOM 1109 NE1 TRP A 71 0.823 -4.273 18.015 1.00 75.00 N ATOM 1110 CE2 TRP A 71 0.372 -5.159 18.957 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -0.542 -7.394 19.035 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 0.299 -5.034 20.343 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -0.614 -7.268 20.412 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -0.198 -6.096 21.053 1.00 75.00 C ATOM 0 H TRP A 71 1.819 -5.965 14.603 1.00 75.00 H new ATOM 0 HA TRP A 71 1.559 -8.403 16.124 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -0.520 -6.534 14.903 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -0.852 -7.796 16.073 1.00 75.00 H new ATOM 0 HD1 TRP A 71 0.978 -4.360 15.844 1.00 75.00 H new ATOM 0 HE1 TRP A 71 1.190 -3.341 18.207 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -0.868 -8.302 18.549 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 0.623 -4.132 20.840 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -0.998 -8.088 21.001 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -0.270 -6.027 22.128 1.00 75.00 H new ATOM 1125 N ARG A 72 0.897 -10.150 14.460 1.00 75.00 N ATOM 1126 CA ARG A 72 0.762 -11.257 13.479 1.00 75.00 C ATOM 1127 C ARG A 72 -0.723 -11.578 13.160 1.00 75.00 C ATOM 1128 O ARG A 72 -1.174 -12.729 13.268 1.00 75.00 O ATOM 1129 CB ARG A 72 1.531 -12.517 13.989 1.00 75.00 C ATOM 1130 CG ARG A 72 1.053 -13.041 15.360 1.00 75.00 C ATOM 1131 CD ARG A 72 1.752 -14.334 15.799 1.00 75.00 C ATOM 1132 NE ARG A 72 1.228 -14.800 17.090 1.00 75.00 N ATOM 1133 CZ ARG A 72 1.851 -14.681 18.261 1.00 75.00 C ATOM 1134 NH1 ARG A 72 3.046 -14.111 18.351 1.00 75.00 N ATOM 1135 NH2 ARG A 72 1.269 -15.141 19.350 1.00 75.00 N ATOM 0 H ARG A 72 1.070 -10.478 15.410 1.00 75.00 H new ATOM 0 HA ARG A 72 1.211 -10.935 12.539 1.00 75.00 H new ATOM 0 HB2 ARG A 72 1.428 -13.314 13.253 1.00 75.00 H new ATOM 0 HB3 ARG A 72 2.593 -12.279 14.054 1.00 75.00 H new ATOM 0 HG2 ARG A 72 1.223 -12.272 16.113 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -0.022 -13.215 15.319 1.00 75.00 H new ATOM 0 HD2 ARG A 72 1.607 -15.106 15.043 1.00 75.00 H new ATOM 0 HD3 ARG A 72 2.826 -14.163 15.878 1.00 75.00 H new ATOM 0 HE ARG A 72 0.313 -15.251 17.089 1.00 75.00 H new ATOM 0 HH11 ARG A 72 3.505 -13.754 17.513 1.00 75.00 H new ATOM 0 HH12 ARG A 72 3.505 -14.030 19.258 1.00 75.00 H new ATOM 0 HH21 ARG A 72 0.351 -15.582 19.290 1.00 75.00 H new ATOM 0 HH22 ARG A 72 1.736 -15.056 20.253 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.446 -10.560 12.659 1.00 75.00 N ATOM 1150 CA VAL A 73 -2.914 -10.609 12.445 1.00 75.00 C ATOM 1151 C VAL A 73 -3.340 -11.725 11.460 1.00 75.00 C ATOM 1152 O VAL A 73 -4.451 -12.259 11.561 1.00 75.00 O ATOM 1153 CB VAL A 73 -3.463 -9.207 11.972 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.151 -8.106 13.021 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.923 -8.813 10.571 1.00 50.00 C ATOM 0 H VAL A 73 -1.029 -9.670 12.387 1.00 75.00 H new ATOM 0 HA VAL A 73 -3.360 -10.853 13.409 1.00 75.00 H new ATOM 0 HB VAL A 73 -4.546 -9.297 11.884 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.540 -7.150 12.671 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -3.621 -8.364 13.970 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -2.072 -8.031 13.159 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.327 -7.842 10.286 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -1.835 -8.759 10.603 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -3.228 -9.562 9.840 1.00 50.00 H new ATOM 1165 N GLN A 74 -2.446 -12.075 10.515 1.00 75.00 N ATOM 1166 CA GLN A 74 -2.683 -13.157 9.528 1.00 75.00 C ATOM 1167 C GLN A 74 -1.472 -14.103 9.449 1.00 75.00 C ATOM 1168 O GLN A 74 -1.335 -14.857 8.479 1.00 75.00 O ATOM 1169 CB GLN A 74 -3.005 -12.548 8.123 1.00 75.00 C ATOM 1170 CG GLN A 74 -4.317 -11.746 8.067 1.00 75.00 C ATOM 1171 CD GLN A 74 -5.559 -12.600 8.364 1.00 75.00 C ATOM 1172 OE1 GLN A 74 -5.640 -13.772 7.988 1.00 75.00 O ATOM 1173 NE2 GLN A 74 -6.513 -12.039 9.085 1.00 75.00 N ATOM 0 H GLN A 74 -1.540 -11.619 10.411 1.00 75.00 H new ATOM 0 HA GLN A 74 -3.542 -13.741 9.857 1.00 75.00 H new ATOM 0 HB2 GLN A 74 -2.182 -11.898 7.824 1.00 75.00 H new ATOM 0 HB3 GLN A 74 -3.055 -13.355 7.393 1.00 75.00 H new ATOM 0 HG2 GLN A 74 -4.266 -10.927 8.785 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -4.420 -11.297 7.079 1.00 75.00 H new ATOM 0 HE21 GLN A 74 -6.422 -11.068 9.384 1.00 75.00 H new ATOM 0 HE22 GLN A 74 -7.340 -12.577 9.343 1.00 75.00 H new ATOM 1182 N ARG A 75 -0.600 -14.082 10.479 1.00 75.00 N ATOM 1183 CA ARG A 75 0.626 -14.920 10.518 1.00 75.00 C ATOM 1184 C ARG A 75 0.650 -15.825 11.766 1.00 75.00 C ATOM 1185 O ARG A 75 1.650 -16.503 12.015 1.00 75.00 O ATOM 1186 CB ARG A 75 1.906 -14.030 10.465 1.00 75.00 C ATOM 1187 CG ARG A 75 2.007 -13.106 9.233 1.00 75.00 C ATOM 1188 CD ARG A 75 2.000 -13.859 7.893 1.00 75.00 C ATOM 1189 NE ARG A 75 1.973 -12.941 6.736 1.00 75.00 N ATOM 1190 CZ ARG A 75 0.885 -12.635 6.008 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -0.301 -13.164 6.291 1.00 75.00 N ATOM 1192 NH2 ARG A 75 0.998 -11.805 4.988 1.00 75.00 N ATOM 0 H ARG A 75 -0.720 -13.491 11.302 1.00 75.00 H new ATOM 0 HA ARG A 75 0.613 -15.563 9.638 1.00 75.00 H new ATOM 0 HB2 ARG A 75 1.941 -13.416 11.365 1.00 75.00 H new ATOM 0 HB3 ARG A 75 2.782 -14.678 10.487 1.00 75.00 H new ATOM 0 HG2 ARG A 75 1.175 -12.402 9.249 1.00 75.00 H new ATOM 0 HG3 ARG A 75 2.922 -12.519 9.305 1.00 75.00 H new ATOM 0 HD2 ARG A 75 2.884 -14.493 7.830 1.00 75.00 H new ATOM 0 HD3 ARG A 75 1.132 -14.517 7.853 1.00 75.00 H new ATOM 0 HE ARG A 75 2.854 -12.502 6.467 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -0.397 -13.814 7.072 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -1.116 -12.920 5.728 1.00 75.00 H new ATOM 0 HH21 ARG A 75 1.906 -11.401 4.757 1.00 75.00 H new ATOM 0 HH22 ARG A 75 0.178 -11.568 4.430 1.00 75.00 H new ATOM 1206 N SER A 76 -0.453 -15.833 12.546 1.00 75.00 N ATOM 1207 CA SER A 76 -0.598 -16.708 13.732 1.00 75.00 C ATOM 1208 C SER A 76 -0.827 -18.169 13.323 1.00 75.00 C ATOM 1209 O SER A 76 -0.377 -19.095 14.010 1.00 75.00 O ATOM 1210 CB SER A 76 -1.763 -16.223 14.620 1.00 75.00 C ATOM 1211 OG SER A 76 -1.559 -14.888 15.036 1.00 75.00 O ATOM 0 H SER A 76 -1.263 -15.238 12.374 1.00 75.00 H new ATOM 0 HA SER A 76 0.331 -16.654 14.299 1.00 75.00 H new ATOM 0 HB2 SER A 76 -2.701 -16.297 14.069 1.00 75.00 H new ATOM 0 HB3 SER A 76 -1.854 -16.870 15.492 1.00 75.00 H new ATOM 0 HG SER A 76 -1.496 -14.306 14.250 1.00 75.00 H new ATOM 1217 N GLN A 77 -1.523 -18.359 12.191 1.00 75.00 N ATOM 1218 CA GLN A 77 -1.882 -19.683 11.669 1.00 75.00 C ATOM 1219 C GLN A 77 -2.301 -19.558 10.196 1.00 75.00 C ATOM 1220 O GLN A 77 -3.058 -18.641 9.847 1.00 75.00 O ATOM 1221 CB GLN A 77 -3.024 -20.312 12.527 1.00 75.00 C ATOM 1222 CG GLN A 77 -4.350 -19.504 12.544 1.00 75.00 C ATOM 1223 CD GLN A 77 -5.372 -20.014 13.552 1.00 75.00 C ATOM 1224 OE1 GLN A 77 -5.397 -21.192 13.908 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -6.244 -19.131 14.010 1.00 75.00 N ATOM 0 H GLN A 77 -1.854 -17.590 11.609 1.00 75.00 H new ATOM 0 HA GLN A 77 -1.017 -20.344 11.730 1.00 75.00 H new ATOM 0 HB2 GLN A 77 -3.231 -21.314 12.151 1.00 75.00 H new ATOM 0 HB3 GLN A 77 -2.670 -20.423 13.552 1.00 75.00 H new ATOM 0 HG2 GLN A 77 -4.125 -18.461 12.766 1.00 75.00 H new ATOM 0 HG3 GLN A 77 -4.792 -19.530 11.548 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -6.200 -18.161 13.698 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -6.961 -19.420 14.676 1.00 75.00 H new ATOM 1234 N ASN A 78 -1.769 -20.478 9.358 1.00 75.00 N ATOM 1235 CA ASN A 78 -2.056 -20.578 7.907 1.00 75.00 C ATOM 1236 C ASN A 78 -2.024 -19.201 7.196 1.00 75.00 C ATOM 1237 O ASN A 78 -3.077 -18.680 6.797 1.00 75.00 O ATOM 1238 CB ASN A 78 -3.398 -21.333 7.673 1.00 75.00 C ATOM 1239 CG ASN A 78 -3.311 -22.832 7.978 1.00 75.00 C ATOM 1240 OD1 ASN A 78 -2.409 -23.302 8.679 1.00 75.00 O ATOM 1241 ND2 ASN A 78 -4.267 -23.593 7.490 1.00 75.00 N ATOM 0 H ASN A 78 -1.112 -21.189 9.680 1.00 75.00 H new ATOM 0 HA ASN A 78 -1.256 -21.160 7.450 1.00 75.00 H new ATOM 0 HB2 ASN A 78 -4.172 -20.887 8.298 1.00 75.00 H new ATOM 0 HB3 ASN A 78 -3.707 -21.197 6.637 1.00 75.00 H new ATOM 0 HD21 ASN A 78 -4.274 -24.594 7.688 1.00 75.00 H new ATOM 0 HD22 ASN A 78 -5.002 -23.182 6.914 1.00 75.00 H new ATOM 1248 N PRO A 79 -0.807 -18.567 7.078 1.00 75.00 N ATOM 1249 CA PRO A 79 -0.643 -17.271 6.380 1.00 75.00 C ATOM 1250 C PRO A 79 -1.105 -17.348 4.920 1.00 75.00 C ATOM 1251 O PRO A 79 -0.593 -18.179 4.159 1.00 75.00 O ATOM 1252 CB PRO A 79 0.877 -16.995 6.478 1.00 75.00 C ATOM 1253 CG PRO A 79 1.323 -17.789 7.667 1.00 75.00 C ATOM 1254 CD PRO A 79 0.487 -19.045 7.632 1.00 75.00 C ATOM 0 HA PRO A 79 -1.247 -16.479 6.823 1.00 75.00 H new ATOM 0 HB2 PRO A 79 1.397 -17.309 5.573 1.00 75.00 H new ATOM 0 HB3 PRO A 79 1.080 -15.932 6.611 1.00 75.00 H new ATOM 0 HG2 PRO A 79 2.387 -18.021 7.611 1.00 75.00 H new ATOM 0 HG3 PRO A 79 1.166 -17.236 8.593 1.00 75.00 H new ATOM 0 HD2 PRO A 79 0.937 -19.813 7.002 1.00 75.00 H new ATOM 0 HD3 PRO A 79 0.366 -19.478 8.625 1.00 75.00 H new ATOM 1262 N LEU A 80 -2.090 -16.501 4.569 1.00 75.00 N ATOM 1263 CA LEU A 80 -2.684 -16.448 3.224 1.00 75.00 C ATOM 1264 C LEU A 80 -1.577 -16.283 2.161 1.00 75.00 C ATOM 1265 O LEU A 80 -0.755 -15.360 2.249 1.00 75.00 O ATOM 1266 CB LEU A 80 -3.714 -15.290 3.163 1.00 75.00 C ATOM 1267 CG LEU A 80 -4.818 -15.311 4.271 1.00 75.00 C ATOM 1268 CD1 LEU A 80 -5.734 -14.074 4.180 1.00 75.00 C ATOM 1269 CD2 LEU A 80 -5.635 -16.623 4.226 1.00 75.00 C ATOM 0 H LEU A 80 -2.498 -15.829 5.218 1.00 75.00 H new ATOM 0 HA LEU A 80 -3.205 -17.381 3.011 1.00 75.00 H new ATOM 0 HB2 LEU A 80 -3.176 -14.344 3.229 1.00 75.00 H new ATOM 0 HB3 LEU A 80 -4.202 -15.312 2.188 1.00 75.00 H new ATOM 0 HG LEU A 80 -4.313 -15.271 5.236 1.00 75.00 H new ATOM 0 HD11 LEU A 80 -6.489 -14.122 4.965 1.00 75.00 H new ATOM 0 HD12 LEU A 80 -5.138 -13.170 4.305 1.00 75.00 H new ATOM 0 HD13 LEU A 80 -6.223 -14.055 3.206 1.00 75.00 H new ATOM 0 HD21 LEU A 80 -6.394 -16.606 5.008 1.00 75.00 H new ATOM 0 HD22 LEU A 80 -6.118 -16.717 3.254 1.00 75.00 H new ATOM 0 HD23 LEU A 80 -4.970 -17.472 4.384 1.00 75.00 H new ATOM 1281 N LYS A 81 -1.545 -17.219 1.201 1.00 75.00 N ATOM 1282 CA LYS A 81 -0.422 -17.387 0.272 1.00 75.00 C ATOM 1283 C LYS A 81 -0.400 -16.272 -0.778 1.00 75.00 C ATOM 1284 O LYS A 81 -1.448 -15.860 -1.288 1.00 75.00 O ATOM 1285 CB LYS A 81 -0.476 -18.785 -0.404 1.00 75.00 C ATOM 1286 CG LYS A 81 -0.474 -19.984 0.584 1.00 75.00 C ATOM 1287 CD LYS A 81 0.723 -19.976 1.576 1.00 75.00 C ATOM 1288 CE LYS A 81 2.100 -19.977 0.884 1.00 75.00 C ATOM 1289 NZ LYS A 81 2.266 -21.143 -0.012 1.00 75.00 N ATOM 0 H LYS A 81 -2.303 -17.884 1.048 1.00 75.00 H new ATOM 0 HA LYS A 81 0.503 -17.320 0.845 1.00 75.00 H new ATOM 0 HB2 LYS A 81 -1.373 -18.841 -1.020 1.00 75.00 H new ATOM 0 HB3 LYS A 81 0.378 -18.883 -1.074 1.00 75.00 H new ATOM 0 HG2 LYS A 81 -1.405 -19.977 1.152 1.00 75.00 H new ATOM 0 HG3 LYS A 81 -0.455 -20.913 0.014 1.00 75.00 H new ATOM 0 HD2 LYS A 81 0.648 -19.096 2.215 1.00 75.00 H new ATOM 0 HD3 LYS A 81 0.652 -20.849 2.225 1.00 75.00 H new ATOM 0 HE2 LYS A 81 2.219 -19.058 0.310 1.00 75.00 H new ATOM 0 HE3 LYS A 81 2.886 -19.985 1.639 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 3.229 -21.144 -0.406 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 2.111 -22.019 0.526 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 1.575 -21.086 -0.787 1.00 75.00 H new ATOM 1303 N ILE A 82 0.812 -15.802 -1.094 1.00 75.00 N ATOM 1304 CA ILE A 82 1.031 -14.594 -1.912 1.00 75.00 C ATOM 1305 C ILE A 82 1.603 -14.965 -3.295 1.00 75.00 C ATOM 1306 O ILE A 82 2.229 -16.019 -3.455 1.00 75.00 O ATOM 1307 CB ILE A 82 2.009 -13.593 -1.176 1.00 75.00 C ATOM 1308 CG1 ILE A 82 3.483 -14.122 -1.121 1.00 75.00 C ATOM 1309 CG2 ILE A 82 1.490 -13.284 0.257 1.00 75.00 C ATOM 1310 CD1 ILE A 82 4.492 -13.122 -0.576 1.00 75.00 C ATOM 0 H ILE A 82 1.677 -16.249 -0.790 1.00 75.00 H new ATOM 0 HA ILE A 82 0.067 -14.105 -2.053 1.00 75.00 H new ATOM 0 HB ILE A 82 2.023 -12.673 -1.761 1.00 75.00 H new ATOM 0 HG12 ILE A 82 3.511 -15.020 -0.504 1.00 75.00 H new ATOM 0 HG13 ILE A 82 3.788 -14.416 -2.125 1.00 75.00 H new ATOM 0 HG21 ILE A 82 2.174 -12.594 0.751 1.00 75.00 H new ATOM 0 HG22 ILE A 82 0.500 -12.832 0.196 1.00 75.00 H new ATOM 0 HG23 ILE A 82 1.432 -14.209 0.830 1.00 75.00 H new ATOM 0 HD11 ILE A 82 5.485 -13.572 -0.574 1.00 75.00 H new ATOM 0 HD12 ILE A 82 4.498 -12.232 -1.205 1.00 75.00 H new ATOM 0 HD13 ILE A 82 4.217 -12.845 0.442 1.00 75.00 H new ATOM 1322 N ARG A 83 1.357 -14.097 -4.289 1.00 75.00 N ATOM 1323 CA ARG A 83 2.004 -14.159 -5.619 1.00 75.00 C ATOM 1324 C ARG A 83 2.382 -12.745 -6.083 1.00 75.00 C ATOM 1325 O ARG A 83 1.873 -11.755 -5.541 1.00 75.00 O ATOM 1326 CB ARG A 83 1.101 -14.853 -6.684 1.00 75.00 C ATOM 1327 CG ARG A 83 1.000 -16.388 -6.544 1.00 75.00 C ATOM 1328 CD ARG A 83 0.300 -17.055 -7.742 1.00 75.00 C ATOM 1329 NE ARG A 83 1.018 -16.802 -9.005 1.00 75.00 N ATOM 1330 CZ ARG A 83 0.569 -17.117 -10.236 1.00 75.00 C ATOM 1331 NH1 ARG A 83 -0.611 -17.711 -10.395 1.00 75.00 N ATOM 1332 NH2 ARG A 83 1.311 -16.836 -11.300 1.00 75.00 N ATOM 0 H ARG A 83 0.698 -13.324 -4.196 1.00 75.00 H new ATOM 0 HA ARG A 83 2.905 -14.765 -5.518 1.00 75.00 H new ATOM 0 HB2 ARG A 83 0.099 -14.430 -6.622 1.00 75.00 H new ATOM 0 HB3 ARG A 83 1.486 -14.617 -7.676 1.00 75.00 H new ATOM 0 HG2 ARG A 83 2.002 -16.805 -6.437 1.00 75.00 H new ATOM 0 HG3 ARG A 83 0.455 -16.629 -5.631 1.00 75.00 H new ATOM 0 HD2 ARG A 83 0.232 -18.129 -7.571 1.00 75.00 H new ATOM 0 HD3 ARG A 83 -0.720 -16.680 -7.822 1.00 75.00 H new ATOM 0 HE ARG A 83 1.931 -16.351 -8.942 1.00 75.00 H new ATOM 0 HH11 ARG A 83 -1.185 -17.932 -9.581 1.00 75.00 H new ATOM 0 HH12 ARG A 83 -0.942 -17.945 -11.331 1.00 75.00 H new ATOM 0 HH21 ARG A 83 2.218 -16.383 -11.184 1.00 75.00 H new ATOM 0 HH22 ARG A 83 0.975 -17.073 -12.233 1.00 75.00 H new ATOM 1346 N LEU A 84 3.265 -12.695 -7.110 1.00 75.00 N ATOM 1347 CA LEU A 84 3.842 -11.462 -7.674 1.00 75.00 C ATOM 1348 C LEU A 84 4.440 -10.595 -6.559 1.00 75.00 C ATOM 1349 O LEU A 84 3.988 -9.476 -6.282 1.00 75.00 O ATOM 1350 CB LEU A 84 2.816 -10.705 -8.563 1.00 75.00 C ATOM 1351 CG LEU A 84 2.223 -11.536 -9.757 1.00 75.00 C ATOM 1352 CD1 LEU A 84 1.329 -10.671 -10.656 1.00 75.00 C ATOM 1353 CD2 LEU A 84 3.328 -12.225 -10.586 1.00 75.00 C ATOM 0 H LEU A 84 3.601 -13.537 -7.578 1.00 75.00 H new ATOM 0 HA LEU A 84 4.662 -11.729 -8.340 1.00 75.00 H new ATOM 0 HB2 LEU A 84 1.993 -10.367 -7.933 1.00 75.00 H new ATOM 0 HB3 LEU A 84 3.297 -9.813 -8.965 1.00 75.00 H new ATOM 0 HG LEU A 84 1.604 -12.319 -9.318 1.00 75.00 H new ATOM 0 HD11 LEU A 84 0.936 -11.279 -11.471 1.00 75.00 H new ATOM 0 HD12 LEU A 84 0.501 -10.272 -10.070 1.00 75.00 H new ATOM 0 HD13 LEU A 84 1.914 -9.848 -11.066 1.00 75.00 H new ATOM 0 HD21 LEU A 84 2.874 -12.789 -11.401 1.00 75.00 H new ATOM 0 HD22 LEU A 84 3.999 -11.470 -10.997 1.00 75.00 H new ATOM 0 HD23 LEU A 84 3.893 -12.903 -9.947 1.00 75.00 H new ATOM 1365 N THR A 85 5.438 -11.189 -5.888 1.00 75.00 N ATOM 1366 CA THR A 85 6.167 -10.580 -4.780 1.00 75.00 C ATOM 1367 C THR A 85 7.120 -9.487 -5.320 1.00 75.00 C ATOM 1368 O THR A 85 8.311 -9.727 -5.580 1.00 75.00 O ATOM 1369 CB THR A 85 6.931 -11.686 -3.975 1.00 75.00 C ATOM 1370 OG1 THR A 85 5.980 -12.665 -3.522 1.00 75.00 O ATOM 1371 CG2 THR A 85 7.700 -11.130 -2.758 1.00 75.00 C ATOM 0 H THR A 85 5.764 -12.129 -6.111 1.00 75.00 H new ATOM 0 HA THR A 85 5.470 -10.099 -4.094 1.00 75.00 H new ATOM 0 HB THR A 85 7.670 -12.124 -4.645 1.00 75.00 H new ATOM 0 HG1 THR A 85 6.446 -13.365 -3.018 1.00 75.00 H new ATOM 0 HG21 THR A 85 8.207 -11.947 -2.244 1.00 75.00 H new ATOM 0 HG22 THR A 85 8.436 -10.401 -3.095 1.00 75.00 H new ATOM 0 HG23 THR A 85 7.000 -10.650 -2.074 1.00 75.00 H new ATOM 1379 N ARG A 86 6.538 -8.305 -5.552 1.00 75.00 N ATOM 1380 CA ARG A 86 7.250 -7.136 -6.069 1.00 75.00 C ATOM 1381 C ARG A 86 7.914 -6.391 -4.907 1.00 75.00 C ATOM 1382 O ARG A 86 7.240 -5.670 -4.159 1.00 75.00 O ATOM 1383 CB ARG A 86 6.264 -6.223 -6.858 1.00 75.00 C ATOM 1384 CG ARG A 86 5.630 -6.913 -8.088 1.00 75.00 C ATOM 1385 CD ARG A 86 4.656 -6.010 -8.873 1.00 75.00 C ATOM 1386 NE ARG A 86 4.114 -6.724 -10.045 1.00 75.00 N ATOM 1387 CZ ARG A 86 3.632 -6.157 -11.160 1.00 75.00 C ATOM 1388 NH1 ARG A 86 3.600 -4.839 -11.303 1.00 75.00 N ATOM 1389 NH2 ARG A 86 3.203 -6.928 -12.149 1.00 75.00 N ATOM 0 H ARG A 86 5.547 -8.134 -5.383 1.00 75.00 H new ATOM 0 HA ARG A 86 8.033 -7.448 -6.760 1.00 75.00 H new ATOM 0 HB2 ARG A 86 5.470 -5.895 -6.187 1.00 75.00 H new ATOM 0 HB3 ARG A 86 6.794 -5.329 -7.187 1.00 75.00 H new ATOM 0 HG2 ARG A 86 6.424 -7.244 -8.757 1.00 75.00 H new ATOM 0 HG3 ARG A 86 5.098 -7.806 -7.759 1.00 75.00 H new ATOM 0 HD2 ARG A 86 3.840 -5.695 -8.223 1.00 75.00 H new ATOM 0 HD3 ARG A 86 5.171 -5.106 -9.198 1.00 75.00 H new ATOM 0 HE ARG A 86 4.105 -7.743 -10.003 1.00 75.00 H new ATOM 0 HH11 ARG A 86 3.946 -4.236 -10.556 1.00 75.00 H new ATOM 0 HH12 ARG A 86 3.229 -4.428 -12.160 1.00 75.00 H new ATOM 0 HH21 ARG A 86 3.241 -7.943 -12.058 1.00 75.00 H new ATOM 0 HH22 ARG A 86 2.834 -6.506 -13.001 1.00 75.00 H new ATOM 1403 N GLU A 87 9.226 -6.654 -4.717 1.00 75.00 N ATOM 1404 CA GLU A 87 10.070 -5.916 -3.763 1.00 75.00 C ATOM 1405 C GLU A 87 10.134 -4.451 -4.225 1.00 75.00 C ATOM 1406 O GLU A 87 10.780 -4.156 -5.240 1.00 75.00 O ATOM 1407 CB GLU A 87 11.494 -6.523 -3.697 1.00 75.00 C ATOM 1408 CG GLU A 87 12.426 -5.837 -2.671 1.00 75.00 C ATOM 1409 CD GLU A 87 13.888 -6.292 -2.782 1.00 75.00 C ATOM 1410 OE1 GLU A 87 14.631 -5.739 -3.628 1.00 75.00 O ATOM 1411 OE2 GLU A 87 14.305 -7.204 -2.034 1.00 75.00 O ATOM 0 H GLU A 87 9.726 -7.385 -5.223 1.00 75.00 H new ATOM 0 HA GLU A 87 9.642 -5.982 -2.763 1.00 75.00 H new ATOM 0 HB2 GLU A 87 11.415 -7.581 -3.449 1.00 75.00 H new ATOM 0 HB3 GLU A 87 11.950 -6.460 -4.685 1.00 75.00 H new ATOM 0 HG2 GLU A 87 12.377 -4.757 -2.811 1.00 75.00 H new ATOM 0 HG3 GLU A 87 12.063 -6.045 -1.664 1.00 75.00 H new ATOM 1418 N ALA A 88 9.435 -3.560 -3.490 1.00 75.00 N ATOM 1419 CA ALA A 88 9.127 -2.189 -3.933 1.00 75.00 C ATOM 1420 C ALA A 88 8.257 -2.242 -5.214 1.00 75.00 C ATOM 1421 O ALA A 88 8.800 -2.351 -6.315 1.00 75.00 O ATOM 1422 CB ALA A 88 10.402 -1.337 -4.135 1.00 75.00 C ATOM 0 H ALA A 88 9.066 -3.777 -2.564 1.00 75.00 H new ATOM 0 HA ALA A 88 8.561 -1.692 -3.145 1.00 75.00 H new ATOM 0 HB1 ALA A 88 10.122 -0.335 -4.461 1.00 75.00 H new ATOM 0 HB2 ALA A 88 10.949 -1.273 -3.195 1.00 75.00 H new ATOM 0 HB3 ALA A 88 11.034 -1.802 -4.892 1.00 75.00 H new ATOM 1428 N PRO A 89 6.888 -2.239 -5.075 1.00 75.00 N ATOM 1429 CA PRO A 89 5.951 -2.336 -6.228 1.00 75.00 C ATOM 1430 C PRO A 89 6.244 -1.286 -7.333 1.00 75.00 C ATOM 1431 O PRO A 89 6.310 -0.086 -7.011 1.00 75.00 O ATOM 1432 CB PRO A 89 4.559 -2.123 -5.583 1.00 75.00 C ATOM 1433 CG PRO A 89 4.734 -2.530 -4.153 1.00 75.00 C ATOM 1434 CD PRO A 89 6.152 -2.146 -3.783 1.00 75.00 C ATOM 1435 OXT PRO A 89 6.396 -1.664 -8.512 1.00 75.00 O ATOM 0 HA PRO A 89 6.038 -3.290 -6.748 1.00 75.00 H new ATOM 0 HB2 PRO A 89 4.241 -1.083 -5.662 1.00 75.00 H new ATOM 0 HB3 PRO A 89 3.798 -2.728 -6.076 1.00 75.00 H new ATOM 0 HG2 PRO A 89 4.012 -2.024 -3.512 1.00 75.00 H new ATOM 0 HG3 PRO A 89 4.574 -3.601 -4.029 1.00 75.00 H new ATOM 0 HD2 PRO A 89 6.199 -1.140 -3.366 1.00 75.00 H new ATOM 0 HD3 PRO A 89 6.568 -2.821 -3.035 1.00 75.00 H new TER 1443 PRO A 89