USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.0557 K(o=-0.056,f=-1.5!) USER MOD Set 2.1: A 68 THR OG1 : rot -71:sc= 0.784 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.0694 K(o=0.85,f=0.064) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0185 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 9 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 165:sc= -0.0102 (180deg=-0.288) USER MOD Single : A 29 SER OG : rot -52:sc= 0.0911 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 32 MET CE :methyl 175:sc= -1.33 (180deg=-1.38) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -60:sc= -1.2 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -165:sc= -1.19 USER MOD Single : A 53 HIS : no HD1:sc= -0.878 K(o=-0.88,f=-1.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.4!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.33 USER MOD Single : A 69 MET CE :methyl -139:sc= -2.87 (180deg=-5.31!) USER MOD Single : A 75 ASN : amide:sc= -2.8 K(o=-2.8,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0412 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0898) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 92 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 93 SER OG : rot 180:sc= -0.168 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.783 12.559 -2.509 1.00 0.00 N ATOM 2 CA GLY A 1 25.983 13.506 -3.334 1.00 0.00 C ATOM 3 C GLY A 1 26.848 14.501 -4.080 1.00 0.00 C ATOM 4 O GLY A 1 27.989 14.200 -4.433 1.00 0.00 O ATOM 0 H1 GLY A 1 26.424 11.592 -2.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.780 12.602 -2.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.704 12.820 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.384 12.943 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.288 14.045 -2.691 1.00 0.00 H new ATOM 10 N SER A 2 26.306 15.690 -4.320 1.00 0.00 N ATOM 11 CA SER A 2 27.035 16.735 -5.029 1.00 0.00 C ATOM 12 C SER A 2 27.717 17.684 -4.049 1.00 0.00 C ATOM 13 O SER A 2 28.908 17.967 -4.170 1.00 0.00 O ATOM 14 CB SER A 2 26.090 17.517 -5.942 1.00 0.00 C ATOM 15 OG SER A 2 24.871 17.811 -5.282 1.00 0.00 O ATOM 0 H SER A 2 25.363 15.954 -4.034 1.00 0.00 H new ATOM 0 HA SER A 2 27.803 16.258 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.569 18.444 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.889 16.938 -6.844 1.00 0.00 H new ATOM 0 HG SER A 2 24.285 18.313 -5.886 1.00 0.00 H new ATOM 21 N SER A 3 26.952 18.172 -3.077 1.00 0.00 N ATOM 22 CA SER A 3 27.482 19.090 -2.075 1.00 0.00 C ATOM 23 C SER A 3 26.825 18.853 -0.719 1.00 0.00 C ATOM 24 O SER A 3 25.832 19.497 -0.379 1.00 0.00 O ATOM 25 CB SER A 3 27.268 20.539 -2.518 1.00 0.00 C ATOM 26 OG SER A 3 28.480 21.271 -2.469 1.00 0.00 O ATOM 0 H SER A 3 25.964 17.947 -2.962 1.00 0.00 H new ATOM 0 HA SER A 3 28.551 18.904 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.869 20.557 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.527 21.013 -1.875 1.00 0.00 H new ATOM 0 HG SER A 3 28.317 22.193 -2.758 1.00 0.00 H new ATOM 32 N GLY A 4 27.385 17.927 0.051 1.00 0.00 N ATOM 33 CA GLY A 4 26.841 17.622 1.361 1.00 0.00 C ATOM 34 C GLY A 4 25.727 16.596 1.302 1.00 0.00 C ATOM 35 O GLY A 4 25.947 15.452 0.904 1.00 0.00 O ATOM 0 H GLY A 4 28.207 17.382 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.639 17.251 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.464 18.538 1.816 1.00 0.00 H new ATOM 39 N SER A 5 24.526 17.005 1.700 1.00 0.00 N ATOM 40 CA SER A 5 23.372 16.114 1.690 1.00 0.00 C ATOM 41 C SER A 5 22.130 16.836 1.180 1.00 0.00 C ATOM 42 O SER A 5 21.486 17.582 1.917 1.00 0.00 O ATOM 43 CB SER A 5 23.115 15.564 3.095 1.00 0.00 C ATOM 44 OG SER A 5 24.324 15.158 3.713 1.00 0.00 O ATOM 0 H SER A 5 24.327 17.948 2.033 1.00 0.00 H new ATOM 0 HA SER A 5 23.590 15.286 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.630 16.327 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.430 14.718 3.038 1.00 0.00 H new ATOM 0 HG SER A 5 24.133 14.812 4.610 1.00 0.00 H new ATOM 50 N SER A 6 21.799 16.610 -0.088 1.00 0.00 N ATOM 51 CA SER A 6 20.634 17.239 -0.697 1.00 0.00 C ATOM 52 C SER A 6 19.343 16.604 -0.188 1.00 0.00 C ATOM 53 O SER A 6 19.375 15.609 0.536 1.00 0.00 O ATOM 54 CB SER A 6 20.706 17.127 -2.221 1.00 0.00 C ATOM 55 OG SER A 6 21.445 15.983 -2.614 1.00 0.00 O ATOM 0 H SER A 6 22.322 15.996 -0.713 1.00 0.00 H new ATOM 0 HA SER A 6 20.633 18.292 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.698 17.072 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.170 18.023 -2.633 1.00 0.00 H new ATOM 0 HG SER A 6 21.475 15.933 -3.592 1.00 0.00 H new ATOM 61 N GLY A 7 18.212 17.184 -0.572 1.00 0.00 N ATOM 62 CA GLY A 7 16.927 16.660 -0.146 1.00 0.00 C ATOM 63 C GLY A 7 16.004 17.742 0.377 1.00 0.00 C ATOM 64 O GLY A 7 15.547 18.597 -0.381 1.00 0.00 O ATOM 0 H GLY A 7 18.161 18.008 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.449 16.153 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.083 15.912 0.632 1.00 0.00 H new ATOM 68 N LEU A 8 15.729 17.706 1.677 1.00 0.00 N ATOM 69 CA LEU A 8 14.854 18.691 2.301 1.00 0.00 C ATOM 70 C LEU A 8 15.382 19.096 3.674 1.00 0.00 C ATOM 71 O LEU A 8 16.399 18.576 4.136 1.00 0.00 O ATOM 72 CB LEU A 8 13.434 18.134 2.430 1.00 0.00 C ATOM 73 CG LEU A 8 12.468 18.559 1.323 1.00 0.00 C ATOM 74 CD1 LEU A 8 11.107 17.913 1.523 1.00 0.00 C ATOM 75 CD2 LEU A 8 12.340 20.075 1.285 1.00 0.00 C ATOM 0 H LEU A 8 16.100 17.005 2.319 1.00 0.00 H new ATOM 0 HA LEU A 8 14.833 19.576 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.487 17.045 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.023 18.447 3.390 1.00 0.00 H new ATOM 0 HG LEU A 8 12.869 18.222 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.434 18.228 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.212 16.828 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.697 18.219 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.649 20.362 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.962 20.432 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.317 20.518 1.093 1.00 0.00 H new ATOM 87 N GLN A 9 14.687 20.025 4.319 1.00 0.00 N ATOM 88 CA GLN A 9 15.086 20.501 5.639 1.00 0.00 C ATOM 89 C GLN A 9 13.878 20.994 6.427 1.00 0.00 C ATOM 90 O GLN A 9 13.705 20.649 7.597 1.00 0.00 O ATOM 91 CB GLN A 9 16.118 21.623 5.509 1.00 0.00 C ATOM 92 CG GLN A 9 17.139 21.643 6.635 1.00 0.00 C ATOM 93 CD GLN A 9 16.732 22.558 7.774 1.00 0.00 C ATOM 94 OE1 GLN A 9 16.152 23.622 7.554 1.00 0.00 O ATOM 95 NE2 GLN A 9 17.034 22.148 9.000 1.00 0.00 N ATOM 0 H GLN A 9 13.844 20.464 3.950 1.00 0.00 H new ATOM 0 HA GLN A 9 15.533 19.667 6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 9 16.640 21.517 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 9 15.599 22.581 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 9 17.273 20.631 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 9 18.103 21.966 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 9 17.515 21.259 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.785 22.722 9.806 1.00 0.00 H new ATOM 104 N GLN A 10 13.044 21.801 5.779 1.00 0.00 N ATOM 105 CA GLN A 10 11.851 22.342 6.421 1.00 0.00 C ATOM 106 C GLN A 10 10.637 21.460 6.145 1.00 0.00 C ATOM 107 O GLN A 10 10.186 21.348 5.006 1.00 0.00 O ATOM 108 CB GLN A 10 11.583 23.766 5.930 1.00 0.00 C ATOM 109 CG GLN A 10 12.774 24.697 6.086 1.00 0.00 C ATOM 110 CD GLN A 10 12.941 25.633 4.905 1.00 0.00 C ATOM 111 OE1 GLN A 10 12.159 26.566 4.722 1.00 0.00 O ATOM 112 NE2 GLN A 10 13.964 25.387 4.095 1.00 0.00 N ATOM 0 H GLN A 10 13.172 22.095 4.811 1.00 0.00 H new ATOM 0 HA GLN A 10 12.026 22.363 7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.295 23.731 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.736 24.178 6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.654 25.284 6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.681 24.104 6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.588 24.602 4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.126 25.983 3.283 1.00 0.00 H new ATOM 121 N GLN A 11 10.112 20.840 7.197 1.00 0.00 N ATOM 122 CA GLN A 11 8.949 19.970 7.069 1.00 0.00 C ATOM 123 C GLN A 11 7.690 20.670 7.570 1.00 0.00 C ATOM 124 O GLN A 11 7.700 21.306 8.624 1.00 0.00 O ATOM 125 CB GLN A 11 9.170 18.671 7.846 1.00 0.00 C ATOM 126 CG GLN A 11 9.968 17.630 7.079 1.00 0.00 C ATOM 127 CD GLN A 11 9.947 16.270 7.748 1.00 0.00 C ATOM 128 OE1 GLN A 11 10.950 15.823 8.304 1.00 0.00 O ATOM 129 NE2 GLN A 11 8.800 15.604 7.697 1.00 0.00 N ATOM 0 H GLN A 11 10.474 20.924 8.147 1.00 0.00 H new ATOM 0 HA GLN A 11 8.816 19.734 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.687 18.899 8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.201 18.249 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.566 17.541 6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.000 17.967 6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.993 16.013 7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.725 14.683 8.130 1.00 0.00 H new ATOM 138 N GLU A 12 6.607 20.549 6.808 1.00 0.00 N ATOM 139 CA GLU A 12 5.341 21.171 7.177 1.00 0.00 C ATOM 140 C GLU A 12 4.180 20.200 6.990 1.00 0.00 C ATOM 141 O GLU A 12 3.903 19.757 5.875 1.00 0.00 O ATOM 142 CB GLU A 12 5.106 22.432 6.343 1.00 0.00 C ATOM 143 CG GLU A 12 5.695 23.689 6.962 1.00 0.00 C ATOM 144 CD GLU A 12 6.271 24.634 5.924 1.00 0.00 C ATOM 145 OE1 GLU A 12 5.706 24.711 4.813 1.00 0.00 O ATOM 146 OE2 GLU A 12 7.287 25.297 6.224 1.00 0.00 O ATOM 0 H GLU A 12 6.581 20.026 5.932 1.00 0.00 H new ATOM 0 HA GLU A 12 5.394 21.445 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.538 22.288 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.034 22.572 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.922 24.206 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.477 23.410 7.668 1.00 0.00 H new ATOM 153 N GLU A 13 3.504 19.875 8.087 1.00 0.00 N ATOM 154 CA GLU A 13 2.372 18.957 8.043 1.00 0.00 C ATOM 155 C GLU A 13 2.791 17.596 7.497 1.00 0.00 C ATOM 156 O GLU A 13 3.884 17.445 6.952 1.00 0.00 O ATOM 157 CB GLU A 13 1.250 19.541 7.181 1.00 0.00 C ATOM 158 CG GLU A 13 0.968 21.008 7.460 1.00 0.00 C ATOM 159 CD GLU A 13 0.189 21.217 8.743 1.00 0.00 C ATOM 160 OE1 GLU A 13 0.601 20.664 9.785 1.00 0.00 O ATOM 161 OE2 GLU A 13 -0.833 21.935 8.708 1.00 0.00 O ATOM 0 H GLU A 13 3.720 20.234 9.017 1.00 0.00 H new ATOM 0 HA GLU A 13 2.008 18.821 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.513 19.424 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.339 18.967 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.911 21.551 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.408 21.432 6.626 1.00 0.00 H new ATOM 168 N GLU A 14 1.915 16.608 7.649 1.00 0.00 N ATOM 169 CA GLU A 14 2.192 15.259 7.172 1.00 0.00 C ATOM 170 C GLU A 14 1.252 14.882 6.032 1.00 0.00 C ATOM 171 O GLU A 14 0.169 15.453 5.891 1.00 0.00 O ATOM 172 CB GLU A 14 2.058 14.252 8.318 1.00 0.00 C ATOM 173 CG GLU A 14 3.393 13.743 8.838 1.00 0.00 C ATOM 174 CD GLU A 14 3.288 13.152 10.231 1.00 0.00 C ATOM 175 OE1 GLU A 14 2.347 12.368 10.473 1.00 0.00 O ATOM 176 OE2 GLU A 14 4.148 13.473 11.077 1.00 0.00 O ATOM 0 H GLU A 14 1.006 16.717 8.099 1.00 0.00 H new ATOM 0 HA GLU A 14 3.215 15.235 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.511 14.718 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.462 13.405 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.781 12.987 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.111 14.563 8.848 1.00 0.00 H new ATOM 183 N THR A 15 1.671 13.917 5.220 1.00 0.00 N ATOM 184 CA THR A 15 0.867 13.462 4.090 1.00 0.00 C ATOM 185 C THR A 15 1.587 12.361 3.316 1.00 0.00 C ATOM 186 O THR A 15 0.959 11.423 2.826 1.00 0.00 O ATOM 187 CB THR A 15 0.551 14.632 3.155 1.00 0.00 C ATOM 188 OG1 THR A 15 -0.069 14.171 1.967 1.00 0.00 O ATOM 189 CG2 THR A 15 1.775 15.426 2.755 1.00 0.00 C ATOM 0 H THR A 15 2.564 13.434 5.323 1.00 0.00 H new ATOM 0 HA THR A 15 -0.065 13.057 4.483 1.00 0.00 H new ATOM 0 HB THR A 15 -0.115 15.283 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.265 14.933 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.480 16.240 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.249 15.837 3.646 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.479 14.774 2.238 1.00 0.00 H new ATOM 197 N TYR A 16 2.907 12.482 3.213 1.00 0.00 N ATOM 198 CA TYR A 16 3.713 11.498 2.499 1.00 0.00 C ATOM 199 C TYR A 16 3.335 11.452 1.022 1.00 0.00 C ATOM 200 O TYR A 16 2.684 10.511 0.565 1.00 0.00 O ATOM 201 CB TYR A 16 3.545 10.113 3.127 1.00 0.00 C ATOM 202 CG TYR A 16 4.038 10.029 4.553 1.00 0.00 C ATOM 203 CD1 TYR A 16 5.375 9.777 4.833 1.00 0.00 C ATOM 204 CD2 TYR A 16 3.167 10.204 5.621 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.830 9.699 6.135 1.00 0.00 C ATOM 206 CE2 TYR A 16 3.614 10.129 6.926 1.00 0.00 C ATOM 207 CZ TYR A 16 4.946 9.875 7.178 1.00 0.00 C ATOM 208 OH TYR A 16 5.395 9.800 8.477 1.00 0.00 O ATOM 0 H TYR A 16 3.441 13.252 3.615 1.00 0.00 H new ATOM 0 HA TYR A 16 4.758 11.797 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.491 9.837 3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.082 9.382 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.071 9.640 4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.123 10.402 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.873 9.501 6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.924 10.269 7.745 1.00 0.00 H new ATOM 0 HH TYR A 16 4.646 9.948 9.091 1.00 0.00 H new ATOM 218 N ALA A 17 3.747 12.474 0.280 1.00 0.00 N ATOM 219 CA ALA A 17 3.452 12.552 -1.145 1.00 0.00 C ATOM 220 C ALA A 17 4.572 11.927 -1.971 1.00 0.00 C ATOM 221 O ALA A 17 4.331 11.369 -3.042 1.00 0.00 O ATOM 222 CB ALA A 17 3.232 13.999 -1.560 1.00 0.00 C ATOM 0 H ALA A 17 4.287 13.260 0.642 1.00 0.00 H new ATOM 0 HA ALA A 17 2.538 11.989 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.013 14.042 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.394 14.415 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.131 14.578 -1.351 1.00 0.00 H new ATOM 228 N ASP A 18 5.797 12.027 -1.466 1.00 0.00 N ATOM 229 CA ASP A 18 6.956 11.471 -2.155 1.00 0.00 C ATOM 230 C ASP A 18 6.858 9.952 -2.253 1.00 0.00 C ATOM 231 O ASP A 18 7.424 9.341 -3.160 1.00 0.00 O ATOM 232 CB ASP A 18 8.244 11.868 -1.430 1.00 0.00 C ATOM 233 CG ASP A 18 8.959 13.019 -2.111 1.00 0.00 C ATOM 234 OD1 ASP A 18 9.800 12.755 -2.995 1.00 0.00 O ATOM 235 OD2 ASP A 18 8.676 14.184 -1.762 1.00 0.00 O ATOM 0 H ASP A 18 6.013 12.488 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 18 6.976 11.878 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.009 12.147 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.911 11.007 -1.382 1.00 0.00 H new ATOM 240 N ALA A 19 6.139 9.345 -1.312 1.00 0.00 N ATOM 241 CA ALA A 19 5.969 7.897 -1.295 1.00 0.00 C ATOM 242 C ALA A 19 5.399 7.392 -2.616 1.00 0.00 C ATOM 243 O ALA A 19 4.611 8.079 -3.266 1.00 0.00 O ATOM 244 CB ALA A 19 5.068 7.487 -0.139 1.00 0.00 C ATOM 0 H ALA A 19 5.666 9.834 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 19 6.951 7.443 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.949 6.404 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.517 7.804 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.092 7.959 -0.253 1.00 0.00 H new ATOM 250 N CYS A 20 5.805 6.189 -3.009 1.00 0.00 N ATOM 251 CA CYS A 20 5.336 5.592 -4.253 1.00 0.00 C ATOM 252 C CYS A 20 3.853 5.242 -4.165 1.00 0.00 C ATOM 253 O CYS A 20 3.275 5.219 -3.079 1.00 0.00 O ATOM 254 CB CYS A 20 6.152 4.339 -4.582 1.00 0.00 C ATOM 255 SG CYS A 20 6.890 4.353 -6.232 1.00 0.00 S ATOM 0 H CYS A 20 6.458 5.609 -2.483 1.00 0.00 H new ATOM 0 HA CYS A 20 5.470 6.323 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.945 4.230 -3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.508 3.464 -4.491 1.00 0.00 H new ATOM 0 HG CYS A 20 7.561 3.255 -6.417 1.00 0.00 H new ATOM 261 N ASP A 21 3.245 4.973 -5.316 1.00 0.00 N ATOM 262 CA ASP A 21 1.830 4.625 -5.370 1.00 0.00 C ATOM 263 C ASP A 21 1.566 3.298 -4.667 1.00 0.00 C ATOM 264 O ASP A 21 0.487 3.082 -4.114 1.00 0.00 O ATOM 265 CB ASP A 21 1.358 4.548 -6.823 1.00 0.00 C ATOM 266 CG ASP A 21 0.909 5.894 -7.357 1.00 0.00 C ATOM 267 OD1 ASP A 21 1.291 6.925 -6.764 1.00 0.00 O ATOM 268 OD2 ASP A 21 0.175 5.917 -8.367 1.00 0.00 O ATOM 0 H ASP A 21 3.710 4.989 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 21 1.271 5.405 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.167 4.165 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.535 3.838 -6.898 1.00 0.00 H new ATOM 273 N GLU A 22 2.556 2.412 -4.691 1.00 0.00 N ATOM 274 CA GLU A 22 2.427 1.105 -4.056 1.00 0.00 C ATOM 275 C GLU A 22 2.181 1.249 -2.556 1.00 0.00 C ATOM 276 O GLU A 22 1.535 0.403 -1.940 1.00 0.00 O ATOM 277 CB GLU A 22 3.683 0.266 -4.303 1.00 0.00 C ATOM 278 CG GLU A 22 3.385 -1.148 -4.773 1.00 0.00 C ATOM 279 CD GLU A 22 4.636 -1.995 -4.901 1.00 0.00 C ATOM 280 OE1 GLU A 22 5.602 -1.745 -4.150 1.00 0.00 O ATOM 281 OE2 GLU A 22 4.650 -2.910 -5.752 1.00 0.00 O ATOM 0 H GLU A 22 3.456 2.575 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 22 1.569 0.598 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.303 0.765 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.266 0.219 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.699 -1.623 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.878 -1.107 -5.737 1.00 0.00 H new ATOM 288 N PHE A 23 2.699 2.327 -1.975 1.00 0.00 N ATOM 289 CA PHE A 23 2.534 2.580 -0.549 1.00 0.00 C ATOM 290 C PHE A 23 1.226 3.313 -0.274 1.00 0.00 C ATOM 291 O PHE A 23 0.586 3.096 0.755 1.00 0.00 O ATOM 292 CB PHE A 23 3.712 3.398 -0.014 1.00 0.00 C ATOM 293 CG PHE A 23 5.046 2.741 -0.226 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.215 1.389 0.021 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.132 3.478 -0.672 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.442 0.783 -0.173 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.361 2.878 -0.867 1.00 0.00 C ATOM 298 CZ PHE A 23 7.516 1.528 -0.618 1.00 0.00 C ATOM 0 H PHE A 23 3.236 3.039 -2.470 1.00 0.00 H new ATOM 0 HA PHE A 23 2.506 1.618 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.716 4.374 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.568 3.573 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.378 0.801 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.016 4.533 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.561 -0.272 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.200 3.464 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.475 1.056 -0.771 1.00 0.00 H new ATOM 308 N LEU A 24 0.833 4.180 -1.201 1.00 0.00 N ATOM 309 CA LEU A 24 -0.400 4.945 -1.059 1.00 0.00 C ATOM 310 C LEU A 24 -1.620 4.036 -1.170 1.00 0.00 C ATOM 311 O LEU A 24 -1.707 3.205 -2.075 1.00 0.00 O ATOM 312 CB LEU A 24 -0.471 6.042 -2.123 1.00 0.00 C ATOM 313 CG LEU A 24 0.363 7.290 -1.822 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.453 8.179 -3.053 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.232 8.057 -0.651 1.00 0.00 C ATOM 0 H LEU A 24 1.351 4.370 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.399 5.406 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.143 5.625 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.512 6.340 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 24 1.371 6.976 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.049 9.062 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.923 7.627 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.549 8.486 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.373 8.941 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.250 8.361 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.246 7.419 0.232 1.00 0.00 H new ATOM 327 N ASP A 25 -2.560 4.199 -0.246 1.00 0.00 N ATOM 328 CA ASP A 25 -3.775 3.393 -0.242 1.00 0.00 C ATOM 329 C ASP A 25 -4.699 3.801 -1.388 1.00 0.00 C ATOM 330 O ASP A 25 -4.836 4.986 -1.690 1.00 0.00 O ATOM 331 CB ASP A 25 -4.504 3.540 1.095 1.00 0.00 C ATOM 332 CG ASP A 25 -5.184 2.255 1.529 1.00 0.00 C ATOM 333 OD1 ASP A 25 -6.353 2.042 1.144 1.00 0.00 O ATOM 334 OD2 ASP A 25 -4.547 1.464 2.255 1.00 0.00 O ATOM 0 H ASP A 25 -2.504 4.882 0.510 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.492 2.349 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.793 3.848 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.248 4.332 1.014 1.00 0.00 H new ATOM 339 N PRO A 26 -5.348 2.824 -2.045 1.00 0.00 N ATOM 340 CA PRO A 26 -6.260 3.096 -3.161 1.00 0.00 C ATOM 341 C PRO A 26 -7.548 3.773 -2.705 1.00 0.00 C ATOM 342 O PRO A 26 -8.191 4.487 -3.475 1.00 0.00 O ATOM 343 CB PRO A 26 -6.556 1.707 -3.727 1.00 0.00 C ATOM 344 CG PRO A 26 -6.349 0.779 -2.581 1.00 0.00 C ATOM 345 CD PRO A 26 -5.246 1.381 -1.754 1.00 0.00 C ATOM 0 HA PRO A 26 -5.821 3.780 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.575 1.644 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.890 1.467 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.262 0.673 -1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.076 -0.217 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.382 1.175 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.271 0.983 -2.034 1.00 0.00 H new ATOM 353 N ILE A 27 -7.920 3.544 -1.450 1.00 0.00 N ATOM 354 CA ILE A 27 -9.131 4.132 -0.893 1.00 0.00 C ATOM 355 C ILE A 27 -8.802 5.281 0.052 1.00 0.00 C ATOM 356 O ILE A 27 -9.341 6.380 -0.080 1.00 0.00 O ATOM 357 CB ILE A 27 -9.965 3.083 -0.133 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.133 1.820 -0.980 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.323 3.657 0.247 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.754 0.664 -0.226 1.00 0.00 C ATOM 0 H ILE A 27 -7.400 2.955 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.712 4.512 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.436 2.816 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.753 2.053 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.158 1.514 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.900 2.903 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.184 4.529 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.860 3.950 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.843 -0.197 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.124 0.404 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.743 0.951 0.130 1.00 0.00 H new ATOM 372 N MET A 28 -7.916 5.021 1.007 1.00 0.00 N ATOM 373 CA MET A 28 -7.515 6.034 1.976 1.00 0.00 C ATOM 374 C MET A 28 -6.669 7.120 1.318 1.00 0.00 C ATOM 375 O MET A 28 -6.665 8.269 1.760 1.00 0.00 O ATOM 376 CB MET A 28 -6.735 5.389 3.123 1.00 0.00 C ATOM 377 CG MET A 28 -7.609 4.974 4.295 1.00 0.00 C ATOM 378 SD MET A 28 -7.690 6.235 5.581 1.00 0.00 S ATOM 379 CE MET A 28 -9.230 7.048 5.160 1.00 0.00 C ATOM 0 H MET A 28 -7.461 4.116 1.131 1.00 0.00 H new ATOM 0 HA MET A 28 -8.419 6.497 2.372 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.208 4.513 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.978 6.089 3.475 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.616 4.762 3.935 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.222 4.049 4.722 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.557 7.665 5.997 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.081 7.677 4.282 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.990 6.298 4.944 1.00 0.00 H new ATOM 389 N SER A 29 -5.954 6.750 0.260 1.00 0.00 N ATOM 390 CA SER A 29 -5.104 7.695 -0.455 1.00 0.00 C ATOM 391 C SER A 29 -4.003 8.232 0.453 1.00 0.00 C ATOM 392 O SER A 29 -3.560 9.371 0.303 1.00 0.00 O ATOM 393 CB SER A 29 -5.941 8.855 -1.000 1.00 0.00 C ATOM 394 OG SER A 29 -5.261 9.530 -2.043 1.00 0.00 O ATOM 0 H SER A 29 -5.946 5.804 -0.121 1.00 0.00 H new ATOM 0 HA SER A 29 -4.639 7.168 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.895 8.477 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.165 9.555 -0.195 1.00 0.00 H new ATOM 0 HG SER A 29 -4.363 9.779 -1.741 1.00 0.00 H new ATOM 400 N THR A 30 -3.566 7.405 1.398 1.00 0.00 N ATOM 401 CA THR A 30 -2.517 7.796 2.331 1.00 0.00 C ATOM 402 C THR A 30 -1.496 6.676 2.505 1.00 0.00 C ATOM 403 O THR A 30 -1.577 5.640 1.844 1.00 0.00 O ATOM 404 CB THR A 30 -3.124 8.163 3.687 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.796 7.053 4.252 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.110 9.308 3.610 1.00 0.00 C ATOM 0 H THR A 30 -3.923 6.460 1.537 1.00 0.00 H new ATOM 0 HA THR A 30 -2.006 8.667 1.920 1.00 0.00 H new ATOM 0 HB THR A 30 -2.282 8.471 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.176 7.307 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.503 9.517 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.608 10.195 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.931 9.038 2.945 1.00 0.00 H new ATOM 414 N LEU A 31 -0.535 6.891 3.398 1.00 0.00 N ATOM 415 CA LEU A 31 0.502 5.900 3.659 1.00 0.00 C ATOM 416 C LEU A 31 -0.098 4.625 4.241 1.00 0.00 C ATOM 417 O LEU A 31 -0.981 4.677 5.097 1.00 0.00 O ATOM 418 CB LEU A 31 1.550 6.468 4.618 1.00 0.00 C ATOM 419 CG LEU A 31 2.910 5.771 4.578 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.660 6.137 3.307 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.731 6.134 5.806 1.00 0.00 C ATOM 0 H LEU A 31 -0.453 7.743 3.953 1.00 0.00 H new ATOM 0 HA LEU A 31 0.982 5.655 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.694 7.524 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.159 6.411 5.634 1.00 0.00 H new ATOM 0 HG LEU A 31 2.745 4.694 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.626 5.632 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.078 5.827 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.815 7.215 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.696 5.629 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.887 7.212 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.199 5.821 6.705 1.00 0.00 H new ATOM 433 N MET A 32 0.389 3.480 3.773 1.00 0.00 N ATOM 434 CA MET A 32 -0.101 2.191 4.247 1.00 0.00 C ATOM 435 C MET A 32 0.904 1.543 5.193 1.00 0.00 C ATOM 436 O MET A 32 2.088 1.430 4.875 1.00 0.00 O ATOM 437 CB MET A 32 -0.380 1.262 3.065 1.00 0.00 C ATOM 438 CG MET A 32 -1.630 1.631 2.283 1.00 0.00 C ATOM 439 SD MET A 32 -2.101 0.365 1.088 1.00 0.00 S ATOM 440 CE MET A 32 -0.823 0.577 -0.149 1.00 0.00 C ATOM 0 H MET A 32 1.122 3.419 3.066 1.00 0.00 H new ATOM 0 HA MET A 32 -1.029 2.361 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.477 1.277 2.392 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.479 0.240 3.432 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.454 1.794 2.978 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.463 2.573 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.924 -0.194 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.923 1.560 -0.610 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.157 0.495 0.322 1.00 0.00 H new ATOM 450 N CYS A 33 0.424 1.115 6.357 1.00 0.00 N ATOM 451 CA CYS A 33 1.279 0.476 7.349 1.00 0.00 C ATOM 452 C CYS A 33 1.196 -1.043 7.239 1.00 0.00 C ATOM 453 O CYS A 33 2.216 -1.726 7.148 1.00 0.00 O ATOM 454 CB CYS A 33 0.883 0.919 8.758 1.00 0.00 C ATOM 455 SG CYS A 33 1.748 2.396 9.340 1.00 0.00 S ATOM 0 H CYS A 33 -0.554 1.200 6.635 1.00 0.00 H new ATOM 0 HA CYS A 33 2.307 0.782 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.190 1.108 8.779 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.076 0.101 9.452 1.00 0.00 H new ATOM 0 HG CYS A 33 1.343 2.692 10.539 1.00 0.00 H new ATOM 461 N ASP A 34 -0.026 -1.563 7.247 1.00 0.00 N ATOM 462 CA ASP A 34 -0.246 -3.002 7.148 1.00 0.00 C ATOM 463 C ASP A 34 -1.157 -3.331 5.967 1.00 0.00 C ATOM 464 O ASP A 34 -2.344 -3.606 6.145 1.00 0.00 O ATOM 465 CB ASP A 34 -0.858 -3.536 8.445 1.00 0.00 C ATOM 466 CG ASP A 34 0.176 -3.717 9.539 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.482 -2.725 10.235 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.678 -4.848 9.701 1.00 0.00 O ATOM 0 H ASP A 34 -0.880 -1.010 7.321 1.00 0.00 H new ATOM 0 HA ASP A 34 0.718 -3.483 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.631 -2.849 8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.345 -4.491 8.248 1.00 0.00 H new ATOM 473 N PRO A 35 -0.611 -3.307 4.739 1.00 0.00 N ATOM 474 CA PRO A 35 -1.380 -3.603 3.526 1.00 0.00 C ATOM 475 C PRO A 35 -1.766 -5.075 3.429 1.00 0.00 C ATOM 476 O PRO A 35 -0.914 -5.958 3.527 1.00 0.00 O ATOM 477 CB PRO A 35 -0.421 -3.225 2.395 1.00 0.00 C ATOM 478 CG PRO A 35 0.938 -3.365 2.988 1.00 0.00 C ATOM 479 CD PRO A 35 0.798 -2.988 4.437 1.00 0.00 C ATOM 0 HA PRO A 35 -2.325 -3.060 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.547 -3.881 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.599 -2.207 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.306 -4.386 2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.653 -2.715 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.482 -3.555 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.015 -1.932 4.600 1.00 0.00 H new ATOM 487 N VAL A 36 -3.055 -5.332 3.234 1.00 0.00 N ATOM 488 CA VAL A 36 -3.556 -6.696 3.122 1.00 0.00 C ATOM 489 C VAL A 36 -3.998 -7.002 1.696 1.00 0.00 C ATOM 490 O VAL A 36 -4.735 -6.229 1.085 1.00 0.00 O ATOM 491 CB VAL A 36 -4.738 -6.942 4.077 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.260 -6.976 5.521 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.808 -5.879 3.887 1.00 0.00 C ATOM 0 H VAL A 36 -3.772 -4.612 3.150 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.735 -7.358 3.396 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.176 -7.912 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.109 -7.151 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.533 -7.779 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.795 -6.023 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.635 -6.069 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.385 -4.896 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.172 -5.908 2.860 1.00 0.00 H new ATOM 503 N VAL A 37 -3.542 -8.133 1.169 1.00 0.00 N ATOM 504 CA VAL A 37 -3.891 -8.541 -0.186 1.00 0.00 C ATOM 505 C VAL A 37 -5.283 -9.161 -0.234 1.00 0.00 C ATOM 506 O VAL A 37 -5.558 -10.145 0.453 1.00 0.00 O ATOM 507 CB VAL A 37 -2.873 -9.551 -0.750 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.124 -9.792 -2.230 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.451 -9.064 -0.515 1.00 0.00 C ATOM 0 H VAL A 37 -2.929 -8.784 1.660 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.876 -7.640 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.999 -10.498 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.395 -10.508 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.130 -10.189 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.027 -8.852 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.746 -9.790 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.308 -8.104 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.278 -8.948 0.555 1.00 0.00 H new ATOM 519 N LEU A 38 -6.156 -8.581 -1.050 1.00 0.00 N ATOM 520 CA LEU A 38 -7.519 -9.078 -1.188 1.00 0.00 C ATOM 521 C LEU A 38 -7.570 -10.254 -2.165 1.00 0.00 C ATOM 522 O LEU A 38 -7.165 -10.125 -3.319 1.00 0.00 O ATOM 523 CB LEU A 38 -8.445 -7.960 -1.671 1.00 0.00 C ATOM 524 CG LEU A 38 -8.589 -6.778 -0.711 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.164 -5.570 -1.433 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.465 -7.159 0.473 1.00 0.00 C ATOM 0 H LEU A 38 -5.944 -7.766 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.856 -9.423 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.074 -7.589 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.433 -8.382 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.599 -6.515 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.259 -4.739 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.500 -5.284 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.146 -5.820 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.557 -6.307 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.453 -7.448 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.013 -7.995 1.006 1.00 0.00 H new ATOM 538 N PRO A 39 -8.067 -11.422 -1.716 1.00 0.00 N ATOM 539 CA PRO A 39 -8.161 -12.614 -2.565 1.00 0.00 C ATOM 540 C PRO A 39 -9.290 -12.527 -3.590 1.00 0.00 C ATOM 541 O PRO A 39 -9.463 -13.430 -4.409 1.00 0.00 O ATOM 542 CB PRO A 39 -8.438 -13.734 -1.562 1.00 0.00 C ATOM 543 CG PRO A 39 -9.147 -13.063 -0.438 1.00 0.00 C ATOM 544 CD PRO A 39 -8.573 -11.674 -0.352 1.00 0.00 C ATOM 0 HA PRO A 39 -7.259 -12.759 -3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.050 -14.520 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.513 -14.202 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.221 -13.030 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.998 -13.605 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.330 -10.945 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.776 -11.615 0.389 1.00 0.00 H new ATOM 552 N SER A 40 -10.059 -11.442 -3.543 1.00 0.00 N ATOM 553 CA SER A 40 -11.168 -11.254 -4.470 1.00 0.00 C ATOM 554 C SER A 40 -10.816 -10.239 -5.554 1.00 0.00 C ATOM 555 O SER A 40 -10.618 -10.599 -6.714 1.00 0.00 O ATOM 556 CB SER A 40 -12.417 -10.797 -3.715 1.00 0.00 C ATOM 557 OG SER A 40 -13.210 -11.903 -3.321 1.00 0.00 O ATOM 0 H SER A 40 -9.934 -10.682 -2.874 1.00 0.00 H new ATOM 0 HA SER A 40 -11.368 -12.211 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.124 -10.224 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.005 -10.132 -4.348 1.00 0.00 H new ATOM 0 HG SER A 40 -14.001 -11.583 -2.839 1.00 0.00 H new ATOM 563 N SER A 41 -10.747 -8.968 -5.170 1.00 0.00 N ATOM 564 CA SER A 41 -10.426 -7.899 -6.109 1.00 0.00 C ATOM 565 C SER A 41 -8.934 -7.865 -6.435 1.00 0.00 C ATOM 566 O SER A 41 -8.516 -7.200 -7.382 1.00 0.00 O ATOM 567 CB SER A 41 -10.863 -6.548 -5.541 1.00 0.00 C ATOM 568 OG SER A 41 -9.942 -6.080 -4.571 1.00 0.00 O ATOM 0 H SER A 41 -10.909 -8.653 -4.214 1.00 0.00 H new ATOM 0 HA SER A 41 -10.969 -8.098 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.946 -5.821 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.852 -6.641 -5.093 1.00 0.00 H new ATOM 0 HG SER A 41 -9.887 -6.724 -3.835 1.00 0.00 H new ATOM 574 N ARG A 42 -8.132 -8.580 -5.648 1.00 0.00 N ATOM 575 CA ARG A 42 -6.691 -8.619 -5.863 1.00 0.00 C ATOM 576 C ARG A 42 -6.082 -7.229 -5.705 1.00 0.00 C ATOM 577 O ARG A 42 -5.085 -6.899 -6.348 1.00 0.00 O ATOM 578 CB ARG A 42 -6.374 -9.172 -7.255 1.00 0.00 C ATOM 579 CG ARG A 42 -6.233 -10.686 -7.289 1.00 0.00 C ATOM 580 CD ARG A 42 -7.280 -11.330 -8.184 1.00 0.00 C ATOM 581 NE ARG A 42 -7.935 -12.462 -7.533 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.363 -13.651 -7.360 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.126 -13.869 -7.791 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.028 -14.625 -6.756 1.00 0.00 N ATOM 0 H ARG A 42 -8.457 -9.138 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.254 -9.277 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.164 -8.873 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.449 -8.721 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.238 -10.951 -7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.325 -11.083 -6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.029 -10.587 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.810 -11.666 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.887 -12.333 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.610 -13.123 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.692 -14.782 -7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.979 -14.464 -6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.589 -15.536 -6.624 1.00 0.00 H new ATOM 598 N VAL A 43 -6.688 -6.418 -4.844 1.00 0.00 N ATOM 599 CA VAL A 43 -6.208 -5.065 -4.599 1.00 0.00 C ATOM 600 C VAL A 43 -5.603 -4.941 -3.205 1.00 0.00 C ATOM 601 O VAL A 43 -6.202 -5.368 -2.218 1.00 0.00 O ATOM 602 CB VAL A 43 -7.340 -4.031 -4.747 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.785 -2.616 -4.686 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.102 -4.257 -6.045 1.00 0.00 C ATOM 0 H VAL A 43 -7.514 -6.676 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.441 -4.862 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.034 -4.159 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.600 -1.900 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.289 -2.461 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.068 -2.471 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.898 -3.518 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.420 -4.158 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.535 -5.257 -6.043 1.00 0.00 H new ATOM 614 N THR A 44 -4.412 -4.355 -3.131 1.00 0.00 N ATOM 615 CA THR A 44 -3.726 -4.177 -1.857 1.00 0.00 C ATOM 616 C THR A 44 -4.271 -2.965 -1.110 1.00 0.00 C ATOM 617 O THR A 44 -4.085 -1.824 -1.536 1.00 0.00 O ATOM 618 CB THR A 44 -2.222 -4.019 -2.082 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.776 -4.881 -3.114 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.399 -4.316 -0.848 1.00 0.00 C ATOM 0 H THR A 44 -3.903 -3.996 -3.938 1.00 0.00 H new ATOM 0 HA THR A 44 -3.904 -5.065 -1.250 1.00 0.00 H new ATOM 0 HB THR A 44 -2.078 -2.973 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.812 -4.764 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.341 -4.185 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.685 -3.634 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.577 -5.343 -0.530 1.00 0.00 H new ATOM 628 N VAL A 45 -4.945 -3.218 0.007 1.00 0.00 N ATOM 629 CA VAL A 45 -5.517 -2.149 0.816 1.00 0.00 C ATOM 630 C VAL A 45 -5.112 -2.288 2.279 1.00 0.00 C ATOM 631 O VAL A 45 -4.759 -3.377 2.733 1.00 0.00 O ATOM 632 CB VAL A 45 -7.053 -2.131 0.720 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.498 -1.791 -0.694 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.630 -3.469 1.160 1.00 0.00 C ATOM 0 H VAL A 45 -5.108 -4.156 0.373 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.125 -1.212 0.421 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.431 -1.358 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.587 -1.783 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.116 -0.808 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.110 -2.538 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.717 -3.439 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.244 -4.260 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.342 -3.667 2.192 1.00 0.00 H new ATOM 644 N ASP A 46 -5.165 -1.182 3.012 1.00 0.00 N ATOM 645 CA ASP A 46 -4.804 -1.183 4.425 1.00 0.00 C ATOM 646 C ASP A 46 -5.682 -2.151 5.211 1.00 0.00 C ATOM 647 O ASP A 46 -6.873 -2.294 4.930 1.00 0.00 O ATOM 648 CB ASP A 46 -4.926 0.229 5.005 1.00 0.00 C ATOM 649 CG ASP A 46 -3.581 0.823 5.372 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.557 0.357 4.827 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.548 1.754 6.203 1.00 0.00 O ATOM 0 H ASP A 46 -5.454 -0.273 2.651 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.769 -1.513 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.419 0.875 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.561 0.201 5.890 1.00 0.00 H new ATOM 656 N ARG A 47 -5.088 -2.815 6.198 1.00 0.00 N ATOM 657 CA ARG A 47 -5.817 -3.771 7.025 1.00 0.00 C ATOM 658 C ARG A 47 -6.993 -3.099 7.725 1.00 0.00 C ATOM 659 O ARG A 47 -8.018 -3.731 7.983 1.00 0.00 O ATOM 660 CB ARG A 47 -4.881 -4.398 8.060 1.00 0.00 C ATOM 661 CG ARG A 47 -5.266 -5.816 8.447 1.00 0.00 C ATOM 662 CD ARG A 47 -6.386 -5.830 9.475 1.00 0.00 C ATOM 663 NE ARG A 47 -6.345 -7.025 10.314 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.513 -7.182 11.340 1.00 0.00 C ATOM 665 NH1 ARG A 47 -4.652 -6.223 11.659 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.540 -8.301 12.051 1.00 0.00 N ATOM 0 H ARG A 47 -4.104 -2.709 6.445 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.206 -4.555 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.865 -4.401 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.873 -3.775 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.580 -6.364 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.395 -6.333 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.312 -4.943 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.347 -5.779 8.964 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.992 -7.784 10.101 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.626 -5.360 11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.017 -6.349 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.199 -9.042 11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.902 -8.421 12.838 1.00 0.00 H new ATOM 680 N SER A 48 -6.839 -1.814 8.031 1.00 0.00 N ATOM 681 CA SER A 48 -7.890 -1.057 8.701 1.00 0.00 C ATOM 682 C SER A 48 -8.914 -0.539 7.695 1.00 0.00 C ATOM 683 O SER A 48 -10.093 -0.389 8.017 1.00 0.00 O ATOM 684 CB SER A 48 -7.287 0.113 9.480 1.00 0.00 C ATOM 685 OG SER A 48 -7.964 0.310 10.710 1.00 0.00 O ATOM 0 H SER A 48 -5.997 -1.276 7.826 1.00 0.00 H new ATOM 0 HA SER A 48 -8.397 -1.725 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.231 -0.078 9.669 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.344 1.021 8.880 1.00 0.00 H new ATOM 0 HG SER A 48 -7.559 1.062 11.190 1.00 0.00 H new ATOM 691 N THR A 49 -8.457 -0.270 6.476 1.00 0.00 N ATOM 692 CA THR A 49 -9.335 0.230 5.424 1.00 0.00 C ATOM 693 C THR A 49 -10.388 -0.809 5.058 1.00 0.00 C ATOM 694 O THR A 49 -11.538 -0.470 4.780 1.00 0.00 O ATOM 695 CB THR A 49 -8.520 0.607 4.187 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.515 1.551 4.515 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.359 1.197 3.074 1.00 0.00 C ATOM 0 H THR A 49 -7.485 -0.390 6.193 1.00 0.00 H new ATOM 0 HA THR A 49 -9.842 1.119 5.799 1.00 0.00 H new ATOM 0 HB THR A 49 -8.083 -0.327 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.166 1.956 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.719 1.442 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.112 0.473 2.763 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.852 2.102 3.430 1.00 0.00 H new ATOM 705 N ILE A 50 -9.985 -2.075 5.059 1.00 0.00 N ATOM 706 CA ILE A 50 -10.893 -3.165 4.727 1.00 0.00 C ATOM 707 C ILE A 50 -11.808 -3.491 5.904 1.00 0.00 C ATOM 708 O ILE A 50 -12.987 -3.796 5.722 1.00 0.00 O ATOM 709 CB ILE A 50 -10.121 -4.436 4.316 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.091 -5.519 3.843 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.272 -4.945 5.472 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.945 -5.095 2.667 1.00 0.00 C ATOM 0 H ILE A 50 -9.036 -2.371 5.286 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.497 -2.832 3.883 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.456 -4.184 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.524 -6.408 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.741 -5.800 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.735 -5.842 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.556 -4.176 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.915 -5.182 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.609 -5.913 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.539 -4.224 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.303 -4.842 1.823 1.00 0.00 H new ATOM 724 N ALA A 51 -11.256 -3.423 7.112 1.00 0.00 N ATOM 725 CA ALA A 51 -12.020 -3.709 8.320 1.00 0.00 C ATOM 726 C ALA A 51 -13.247 -2.809 8.419 1.00 0.00 C ATOM 727 O ALA A 51 -14.331 -3.259 8.791 1.00 0.00 O ATOM 728 CB ALA A 51 -11.141 -3.543 9.551 1.00 0.00 C ATOM 0 H ALA A 51 -10.282 -3.172 7.279 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.363 -4.742 8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.724 -3.760 10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.298 -4.231 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.771 -2.519 9.598 1.00 0.00 H new ATOM 734 N ARG A 52 -13.069 -1.536 8.082 1.00 0.00 N ATOM 735 CA ARG A 52 -14.163 -0.573 8.131 1.00 0.00 C ATOM 736 C ARG A 52 -15.262 -0.956 7.146 1.00 0.00 C ATOM 737 O ARG A 52 -16.447 -0.757 7.414 1.00 0.00 O ATOM 738 CB ARG A 52 -13.648 0.833 7.817 1.00 0.00 C ATOM 739 CG ARG A 52 -14.398 1.934 8.552 1.00 0.00 C ATOM 740 CD ARG A 52 -13.446 2.968 9.131 1.00 0.00 C ATOM 741 NE ARG A 52 -12.967 2.588 10.458 1.00 0.00 N ATOM 742 CZ ARG A 52 -12.211 3.370 11.225 1.00 0.00 C ATOM 743 NH1 ARG A 52 -11.844 4.574 10.801 1.00 0.00 N ATOM 744 NH2 ARG A 52 -11.817 2.947 12.418 1.00 0.00 N ATOM 0 H ARG A 52 -12.178 -1.147 7.772 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.580 -0.581 9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.591 0.890 8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.723 1.007 6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.093 2.421 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.993 1.497 9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.596 3.093 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.950 3.932 9.190 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.227 1.670 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.142 4.904 9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.265 5.169 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.093 2.022 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.238 3.546 13.006 1.00 0.00 H new ATOM 758 N HIS A 53 -14.861 -1.508 6.006 1.00 0.00 N ATOM 759 CA HIS A 53 -15.811 -1.924 4.980 1.00 0.00 C ATOM 760 C HIS A 53 -16.474 -3.247 5.354 1.00 0.00 C ATOM 761 O HIS A 53 -17.565 -3.560 4.877 1.00 0.00 O ATOM 762 CB HIS A 53 -15.107 -2.056 3.629 1.00 0.00 C ATOM 763 CG HIS A 53 -16.051 -2.117 2.467 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.906 -1.096 2.120 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.262 -3.107 1.563 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.597 -1.488 1.040 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.243 -2.701 0.663 1.00 0.00 N ATOM 0 H HIS A 53 -13.884 -1.678 5.769 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.585 -1.160 4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.433 -1.210 3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.492 -2.956 3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.750 -4.058 1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.346 -0.889 0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -17.612 -3.232 -0.126 1.00 0.00 H new ATOM 775 N LEU A 54 -15.810 -4.020 6.209 1.00 0.00 N ATOM 776 CA LEU A 54 -16.338 -5.308 6.645 1.00 0.00 C ATOM 777 C LEU A 54 -17.059 -5.180 7.983 1.00 0.00 C ATOM 778 O LEU A 54 -17.100 -6.126 8.770 1.00 0.00 O ATOM 779 CB LEU A 54 -15.208 -6.333 6.759 1.00 0.00 C ATOM 780 CG LEU A 54 -14.456 -6.618 5.457 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.378 -7.666 5.681 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.424 -7.068 4.373 1.00 0.00 C ATOM 0 H LEU A 54 -14.906 -3.776 6.613 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.056 -5.648 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.494 -5.982 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.624 -7.269 7.133 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.974 -5.697 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.854 -7.855 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.669 -7.305 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.836 -8.590 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.874 -7.267 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.934 -7.976 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.159 -6.284 4.193 1.00 0.00 H new ATOM 794 N LEU A 55 -17.629 -4.006 8.235 1.00 0.00 N ATOM 795 CA LEU A 55 -18.350 -3.757 9.478 1.00 0.00 C ATOM 796 C LEU A 55 -19.809 -4.184 9.355 1.00 0.00 C ATOM 797 O LEU A 55 -20.292 -5.010 10.130 1.00 0.00 O ATOM 798 CB LEU A 55 -18.270 -2.276 9.852 1.00 0.00 C ATOM 799 CG LEU A 55 -16.874 -1.777 10.231 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.871 -0.264 10.386 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.401 -2.447 11.512 1.00 0.00 C ATOM 0 H LEU A 55 -17.606 -3.212 7.595 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.882 -4.348 10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.635 -1.685 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.944 -2.091 10.688 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.184 -2.040 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.870 0.072 10.656 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.168 0.199 9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.573 0.023 11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.407 -2.081 11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.093 -2.214 12.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.364 -3.527 11.366 1.00 0.00 H new ATOM 813 N SER A 56 -20.506 -3.618 8.375 1.00 0.00 N ATOM 814 CA SER A 56 -21.909 -3.940 8.148 1.00 0.00 C ATOM 815 C SER A 56 -22.067 -4.860 6.942 1.00 0.00 C ATOM 816 O SER A 56 -22.973 -5.692 6.896 1.00 0.00 O ATOM 817 CB SER A 56 -22.722 -2.660 7.940 1.00 0.00 C ATOM 818 OG SER A 56 -22.870 -1.947 9.156 1.00 0.00 O ATOM 0 H SER A 56 -20.121 -2.933 7.725 1.00 0.00 H new ATOM 0 HA SER A 56 -22.284 -4.459 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.229 -2.028 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.704 -2.910 7.540 1.00 0.00 H new ATOM 0 HG SER A 56 -23.391 -1.133 8.996 1.00 0.00 H new ATOM 824 N ASP A 57 -21.179 -4.704 5.966 1.00 0.00 N ATOM 825 CA ASP A 57 -21.217 -5.521 4.758 1.00 0.00 C ATOM 826 C ASP A 57 -19.895 -6.254 4.557 1.00 0.00 C ATOM 827 O ASP A 57 -18.963 -5.719 3.955 1.00 0.00 O ATOM 828 CB ASP A 57 -21.521 -4.650 3.537 1.00 0.00 C ATOM 829 CG ASP A 57 -22.790 -3.837 3.708 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.854 -4.442 3.956 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.718 -2.595 3.594 1.00 0.00 O ATOM 0 H ASP A 57 -20.424 -4.019 5.988 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.009 -6.261 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.683 -3.977 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.615 -5.285 2.656 1.00 0.00 H new ATOM 836 N GLN A 58 -19.819 -7.479 5.066 1.00 0.00 N ATOM 837 CA GLN A 58 -18.610 -8.283 4.943 1.00 0.00 C ATOM 838 C GLN A 58 -18.360 -8.674 3.489 1.00 0.00 C ATOM 839 O GLN A 58 -18.593 -9.815 3.093 1.00 0.00 O ATOM 840 CB GLN A 58 -18.718 -9.540 5.809 1.00 0.00 C ATOM 841 CG GLN A 58 -18.275 -9.327 7.247 1.00 0.00 C ATOM 842 CD GLN A 58 -19.445 -9.169 8.200 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.726 -10.055 9.007 1.00 0.00 O ATOM 844 NE2 GLN A 58 -20.134 -8.038 8.109 1.00 0.00 N ATOM 0 H GLN A 58 -20.581 -7.936 5.567 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.769 -7.682 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.751 -9.887 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.113 -10.331 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.664 -10.172 7.564 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.644 -8.440 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.865 -7.331 7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.932 -7.876 8.723 1.00 0.00 H new ATOM 853 N THR A 59 -17.886 -7.716 2.697 1.00 0.00 N ATOM 854 CA THR A 59 -17.605 -7.959 1.287 1.00 0.00 C ATOM 855 C THR A 59 -16.462 -7.074 0.801 1.00 0.00 C ATOM 856 O THR A 59 -15.894 -6.299 1.569 1.00 0.00 O ATOM 857 CB THR A 59 -18.857 -7.705 0.446 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.567 -6.579 0.930 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.813 -8.878 0.427 1.00 0.00 C ATOM 0 H THR A 59 -17.689 -6.765 3.008 1.00 0.00 H new ATOM 0 HA THR A 59 -17.306 -9.001 1.175 1.00 0.00 H new ATOM 0 HB THR A 59 -18.494 -7.536 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.363 -6.432 0.378 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.679 -8.632 -0.187 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.310 -9.751 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.140 -9.098 1.443 1.00 0.00 H new ATOM 867 N ASP A 60 -16.130 -7.196 -0.481 1.00 0.00 N ATOM 868 CA ASP A 60 -15.055 -6.407 -1.070 1.00 0.00 C ATOM 869 C ASP A 60 -15.587 -5.076 -1.601 1.00 0.00 C ATOM 870 O ASP A 60 -16.651 -5.027 -2.215 1.00 0.00 O ATOM 871 CB ASP A 60 -14.384 -7.189 -2.201 1.00 0.00 C ATOM 872 CG ASP A 60 -13.050 -6.592 -2.606 1.00 0.00 C ATOM 873 OD1 ASP A 60 -13.044 -5.465 -3.143 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.013 -7.252 -2.386 1.00 0.00 O ATOM 0 H ASP A 60 -16.590 -7.834 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.319 -6.200 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.236 -8.222 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.047 -7.211 -3.066 1.00 0.00 H new ATOM 879 N PRO A 61 -14.851 -3.974 -1.370 1.00 0.00 N ATOM 880 CA PRO A 61 -15.262 -2.644 -1.832 1.00 0.00 C ATOM 881 C PRO A 61 -15.179 -2.503 -3.349 1.00 0.00 C ATOM 882 O PRO A 61 -15.846 -1.653 -3.939 1.00 0.00 O ATOM 883 CB PRO A 61 -14.262 -1.705 -1.152 1.00 0.00 C ATOM 884 CG PRO A 61 -13.057 -2.546 -0.912 1.00 0.00 C ATOM 885 CD PRO A 61 -13.566 -3.935 -0.645 1.00 0.00 C ATOM 0 HA PRO A 61 -16.302 -2.432 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.028 -0.850 -1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.662 -1.310 -0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.394 -2.533 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.483 -2.172 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.875 -4.694 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.701 -4.115 0.421 1.00 0.00 H new ATOM 893 N PHE A 62 -14.357 -3.339 -3.974 1.00 0.00 N ATOM 894 CA PHE A 62 -14.189 -3.304 -5.423 1.00 0.00 C ATOM 895 C PHE A 62 -14.863 -4.503 -6.081 1.00 0.00 C ATOM 896 O PHE A 62 -15.396 -4.400 -7.186 1.00 0.00 O ATOM 897 CB PHE A 62 -12.702 -3.278 -5.786 1.00 0.00 C ATOM 898 CG PHE A 62 -11.890 -2.341 -4.938 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.903 -0.977 -5.184 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.115 -2.825 -3.897 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.156 -0.113 -4.405 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.367 -1.965 -3.115 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.387 -0.607 -3.370 1.00 0.00 C ATOM 0 H PHE A 62 -13.797 -4.048 -3.501 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.663 -2.396 -5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.296 -4.285 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.597 -2.990 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.503 -0.585 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.095 -3.886 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.174 0.948 -4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.767 -2.354 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.802 0.067 -2.761 1.00 0.00 H new ATOM 913 N ASN A 63 -14.834 -5.643 -5.396 1.00 0.00 N ATOM 914 CA ASN A 63 -15.441 -6.863 -5.916 1.00 0.00 C ATOM 915 C ASN A 63 -16.899 -6.978 -5.483 1.00 0.00 C ATOM 916 O ASN A 63 -17.730 -7.528 -6.206 1.00 0.00 O ATOM 917 CB ASN A 63 -14.657 -8.089 -5.444 1.00 0.00 C ATOM 918 CG ASN A 63 -14.447 -9.103 -6.551 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.150 -10.111 -6.627 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.476 -8.840 -7.419 1.00 0.00 N ATOM 0 H ASN A 63 -14.397 -5.747 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.410 -6.817 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.689 -7.771 -5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.189 -8.562 -4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.289 -9.486 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.918 -7.992 -7.318 1.00 0.00 H new ATOM 927 N ARG A 64 -17.203 -6.454 -4.300 1.00 0.00 N ATOM 928 CA ARG A 64 -18.563 -6.499 -3.772 1.00 0.00 C ATOM 929 C ARG A 64 -19.020 -7.940 -3.567 1.00 0.00 C ATOM 930 O ARG A 64 -20.205 -8.250 -3.691 1.00 0.00 O ATOM 931 CB ARG A 64 -19.525 -5.774 -4.716 1.00 0.00 C ATOM 932 CG ARG A 64 -20.554 -4.916 -3.996 1.00 0.00 C ATOM 933 CD ARG A 64 -20.559 -3.486 -4.515 1.00 0.00 C ATOM 934 NE ARG A 64 -21.896 -3.054 -4.915 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.835 -2.658 -4.059 1.00 0.00 C ATOM 936 NH1 ARG A 64 -22.587 -2.639 -2.754 1.00 0.00 N ATOM 937 NH2 ARG A 64 -24.024 -2.281 -4.507 1.00 0.00 N ATOM 0 H ARG A 64 -16.528 -5.994 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.567 -5.995 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.949 -5.144 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.044 -6.511 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.545 -5.353 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.342 -4.914 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.178 -2.818 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.883 -3.407 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.123 -3.056 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.674 -2.929 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -23.310 -2.335 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -24.220 -2.294 -5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -24.744 -1.978 -3.851 1.00 0.00 H new ATOM 951 N SER A 65 -18.072 -8.818 -3.253 1.00 0.00 N ATOM 952 CA SER A 65 -18.377 -10.226 -3.029 1.00 0.00 C ATOM 953 C SER A 65 -17.991 -10.648 -1.613 1.00 0.00 C ATOM 954 O SER A 65 -17.385 -9.876 -0.871 1.00 0.00 O ATOM 955 CB SER A 65 -17.642 -11.095 -4.054 1.00 0.00 C ATOM 956 OG SER A 65 -18.527 -12.012 -4.673 1.00 0.00 O ATOM 0 H SER A 65 -17.086 -8.578 -3.148 1.00 0.00 H new ATOM 0 HA SER A 65 -19.451 -10.365 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.183 -10.460 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.835 -11.639 -3.563 1.00 0.00 H new ATOM 0 HG SER A 65 -18.034 -12.554 -5.324 1.00 0.00 H new ATOM 962 N PRO A 66 -18.338 -11.886 -1.219 1.00 0.00 N ATOM 963 CA PRO A 66 -18.023 -12.406 0.115 1.00 0.00 C ATOM 964 C PRO A 66 -16.549 -12.246 0.467 1.00 0.00 C ATOM 965 O PRO A 66 -15.675 -12.764 -0.227 1.00 0.00 O ATOM 966 CB PRO A 66 -18.392 -13.889 0.015 1.00 0.00 C ATOM 967 CG PRO A 66 -19.424 -13.950 -1.058 1.00 0.00 C ATOM 968 CD PRO A 66 -19.061 -12.874 -2.043 1.00 0.00 C ATOM 0 HA PRO A 66 -18.561 -11.871 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.523 -14.497 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.782 -14.265 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.433 -14.930 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.421 -13.785 -0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.436 -13.260 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.946 -12.439 -2.507 1.00 0.00 H new ATOM 976 N LEU A 67 -16.280 -11.523 1.550 1.00 0.00 N ATOM 977 CA LEU A 67 -14.910 -11.294 1.995 1.00 0.00 C ATOM 978 C LEU A 67 -14.861 -11.049 3.499 1.00 0.00 C ATOM 979 O LEU A 67 -15.788 -10.481 4.077 1.00 0.00 O ATOM 980 CB LEU A 67 -14.304 -10.101 1.253 1.00 0.00 C ATOM 981 CG LEU A 67 -12.848 -9.793 1.605 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.904 -10.637 0.763 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.556 -8.312 1.412 1.00 0.00 C ATOM 0 H LEU A 67 -16.992 -11.086 2.135 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.327 -12.187 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.371 -10.287 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.907 -9.218 1.462 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.687 -10.043 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.873 -10.404 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.096 -11.694 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.065 -10.420 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.516 -8.110 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.735 -8.038 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.208 -7.725 2.059 1.00 0.00 H new ATOM 995 N THR A 68 -13.774 -11.482 4.129 1.00 0.00 N ATOM 996 CA THR A 68 -13.604 -11.309 5.568 1.00 0.00 C ATOM 997 C THR A 68 -12.136 -11.090 5.920 1.00 0.00 C ATOM 998 O THR A 68 -11.254 -11.254 5.078 1.00 0.00 O ATOM 999 CB THR A 68 -14.144 -12.528 6.317 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.728 -13.727 5.687 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.654 -12.556 6.404 1.00 0.00 C ATOM 0 H THR A 68 -12.998 -11.955 3.666 1.00 0.00 H new ATOM 0 HA THR A 68 -14.167 -10.427 5.872 1.00 0.00 H new ATOM 0 HB THR A 68 -13.740 -12.450 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.201 -13.830 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.971 -13.446 6.947 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.005 -11.667 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.076 -12.575 5.399 1.00 0.00 H new ATOM 1009 N MET A 69 -11.882 -10.717 7.171 1.00 0.00 N ATOM 1010 CA MET A 69 -10.521 -10.476 7.635 1.00 0.00 C ATOM 1011 C MET A 69 -9.696 -11.758 7.592 1.00 0.00 C ATOM 1012 O MET A 69 -8.482 -11.720 7.390 1.00 0.00 O ATOM 1013 CB MET A 69 -10.537 -9.913 9.058 1.00 0.00 C ATOM 1014 CG MET A 69 -9.283 -9.131 9.416 1.00 0.00 C ATOM 1015 SD MET A 69 -9.640 -7.449 9.962 1.00 0.00 S ATOM 1016 CE MET A 69 -9.910 -6.634 8.390 1.00 0.00 C ATOM 0 H MET A 69 -12.601 -10.575 7.881 1.00 0.00 H new ATOM 0 HA MET A 69 -10.060 -9.747 6.968 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.405 -9.264 9.174 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.657 -10.735 9.764 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.745 -9.657 10.204 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.623 -9.094 8.549 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.442 -5.650 8.406 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.472 -7.231 7.590 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.980 -6.525 8.216 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.362 -12.892 7.785 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.689 -14.185 7.768 1.00 0.00 C ATOM 1028 C ASP A 70 -9.222 -14.537 6.359 1.00 0.00 C ATOM 1029 O ASP A 70 -8.175 -15.157 6.178 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.624 -15.276 8.297 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.372 -15.594 9.758 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -10.790 -14.793 10.620 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.757 -16.643 10.040 1.00 0.00 O ATOM 0 H ASP A 70 -11.367 -12.941 7.955 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.814 -14.121 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.659 -14.957 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.495 -16.181 7.703 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.006 -14.135 5.364 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.673 -14.409 3.971 1.00 0.00 C ATOM 1040 C GLN A 71 -8.474 -13.578 3.525 1.00 0.00 C ATOM 1041 O GLN A 71 -7.495 -14.112 3.004 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.874 -14.115 3.071 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.006 -15.118 3.221 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.279 -14.669 2.530 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.355 -14.659 3.129 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -13.163 -14.295 1.260 1.00 0.00 N ATOM 0 H GLN A 71 -10.876 -13.619 5.496 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.413 -15.464 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.251 -13.118 3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.545 -14.104 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.693 -16.078 2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.208 -15.276 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.252 -14.319 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.985 -13.984 0.743 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.558 -12.267 3.733 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.480 -11.363 3.352 1.00 0.00 C ATOM 1057 C ILE A 72 -6.206 -11.666 4.135 1.00 0.00 C ATOM 1058 O ILE A 72 -6.257 -11.989 5.322 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.873 -9.891 3.582 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.244 -9.662 5.048 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -9.027 -9.504 2.670 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.078 -9.217 5.904 1.00 0.00 C ATOM 0 H ILE A 72 -9.361 -11.808 4.163 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.296 -11.520 2.289 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.018 -9.259 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.032 -8.910 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.655 -10.584 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.294 -8.462 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.728 -9.634 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.887 -10.139 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.414 -9.074 6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.298 -9.978 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.681 -8.278 5.518 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.065 -11.557 3.463 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.776 -11.820 4.096 1.00 0.00 C ATOM 1076 C ARG A 73 -2.882 -10.584 4.042 1.00 0.00 C ATOM 1077 O ARG A 73 -2.974 -9.781 3.113 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.080 -12.998 3.414 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.776 -14.331 3.639 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.970 -15.234 4.560 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.828 -16.093 5.372 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.476 -15.680 6.458 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.368 -14.421 6.866 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.236 -16.527 7.139 1.00 0.00 N ATOM 0 H ARG A 73 -5.006 -11.289 2.481 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.957 -12.071 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.022 -12.804 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.056 -13.066 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.763 -14.159 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.928 -14.829 2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.298 -15.852 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.347 -14.623 5.213 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.937 -17.067 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.786 -13.765 6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.867 -14.110 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.324 -17.495 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.733 -16.210 7.972 1.00 0.00 H new ATOM 1098 N PRO A 74 -2.001 -10.414 5.043 1.00 0.00 N ATOM 1099 CA PRO A 74 -1.087 -9.270 5.105 1.00 0.00 C ATOM 1100 C PRO A 74 0.031 -9.365 4.071 1.00 0.00 C ATOM 1101 O PRO A 74 0.764 -10.352 4.025 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.514 -9.352 6.520 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.594 -10.796 6.875 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.825 -11.325 6.191 1.00 0.00 C ATOM 0 HA PRO A 74 -1.595 -8.330 4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.514 -8.992 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.088 -8.740 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.297 -11.329 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.660 -10.929 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.692 -12.357 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.691 -11.308 6.853 1.00 0.00 H new ATOM 1112 N ASN A 75 0.153 -8.333 3.244 1.00 0.00 N ATOM 1113 CA ASN A 75 1.182 -8.299 2.210 1.00 0.00 C ATOM 1114 C ASN A 75 2.567 -8.129 2.827 1.00 0.00 C ATOM 1115 O ASN A 75 3.020 -7.008 3.059 1.00 0.00 O ATOM 1116 CB ASN A 75 0.906 -7.165 1.222 1.00 0.00 C ATOM 1117 CG ASN A 75 1.248 -7.546 -0.205 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.654 -8.676 -0.478 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.086 -6.603 -1.125 1.00 0.00 N ATOM 0 H ASN A 75 -0.447 -7.509 3.269 1.00 0.00 H new ATOM 0 HA ASN A 75 1.157 -9.249 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.146 -6.886 1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.485 -6.287 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.300 -6.802 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.747 -5.680 -0.855 1.00 0.00 H new ATOM 1126 N THR A 76 3.233 -9.247 3.090 1.00 0.00 N ATOM 1127 CA THR A 76 4.567 -9.222 3.680 1.00 0.00 C ATOM 1128 C THR A 76 5.588 -8.664 2.694 1.00 0.00 C ATOM 1129 O THR A 76 6.555 -8.013 3.089 1.00 0.00 O ATOM 1130 CB THR A 76 4.979 -10.628 4.119 1.00 0.00 C ATOM 1131 OG1 THR A 76 3.845 -11.391 4.486 1.00 0.00 O ATOM 1132 CG2 THR A 76 5.935 -10.631 5.293 1.00 0.00 C ATOM 0 H THR A 76 2.872 -10.183 2.904 1.00 0.00 H new ATOM 0 HA THR A 76 4.539 -8.570 4.553 1.00 0.00 H new ATOM 0 HB THR A 76 5.485 -11.064 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.129 -12.287 4.762 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.187 -11.659 5.554 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.843 -10.091 5.024 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.464 -10.145 6.147 1.00 0.00 H new ATOM 1140 N GLU A 77 5.366 -8.924 1.410 1.00 0.00 N ATOM 1141 CA GLU A 77 6.268 -8.448 0.367 1.00 0.00 C ATOM 1142 C GLU A 77 6.207 -6.929 0.246 1.00 0.00 C ATOM 1143 O GLU A 77 7.200 -6.281 -0.082 1.00 0.00 O ATOM 1144 CB GLU A 77 5.916 -9.093 -0.976 1.00 0.00 C ATOM 1145 CG GLU A 77 6.676 -10.381 -1.248 1.00 0.00 C ATOM 1146 CD GLU A 77 5.932 -11.309 -2.188 1.00 0.00 C ATOM 1147 OE1 GLU A 77 4.683 -11.275 -2.190 1.00 0.00 O ATOM 1148 OE2 GLU A 77 6.596 -12.071 -2.921 1.00 0.00 O ATOM 0 H GLU A 77 4.570 -9.461 1.067 1.00 0.00 H new ATOM 0 HA GLU A 77 7.283 -8.732 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.846 -9.300 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.123 -8.383 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.649 -10.141 -1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.860 -10.896 -0.305 1.00 0.00 H new ATOM 1155 N LEU A 78 5.032 -6.366 0.515 1.00 0.00 N ATOM 1156 CA LEU A 78 4.841 -4.922 0.436 1.00 0.00 C ATOM 1157 C LEU A 78 5.222 -4.251 1.751 1.00 0.00 C ATOM 1158 O LEU A 78 5.818 -3.174 1.761 1.00 0.00 O ATOM 1159 CB LEU A 78 3.387 -4.596 0.089 1.00 0.00 C ATOM 1160 CG LEU A 78 3.122 -3.138 -0.289 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.666 -2.838 -1.676 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.633 -2.833 -0.220 1.00 0.00 C ATOM 0 H LEU A 78 4.199 -6.887 0.789 1.00 0.00 H new ATOM 0 HA LEU A 78 5.490 -4.538 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.076 -5.232 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.759 -4.854 0.942 1.00 0.00 H new ATOM 0 HG LEU A 78 3.638 -2.497 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.468 -1.796 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.741 -3.017 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.180 -3.486 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.462 -1.791 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.096 -3.482 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.273 -3.007 0.794 1.00 0.00 H new ATOM 1174 N LYS A 79 4.874 -4.895 2.861 1.00 0.00 N ATOM 1175 CA LYS A 79 5.177 -4.361 4.185 1.00 0.00 C ATOM 1176 C LYS A 79 6.674 -4.113 4.346 1.00 0.00 C ATOM 1177 O LYS A 79 7.089 -3.214 5.077 1.00 0.00 O ATOM 1178 CB LYS A 79 4.689 -5.324 5.268 1.00 0.00 C ATOM 1179 CG LYS A 79 4.481 -4.662 6.621 1.00 0.00 C ATOM 1180 CD LYS A 79 4.976 -5.544 7.756 1.00 0.00 C ATOM 1181 CE LYS A 79 4.206 -5.282 9.040 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.635 -4.017 9.698 1.00 0.00 N ATOM 0 H LYS A 79 4.382 -5.788 2.870 1.00 0.00 H new ATOM 0 HA LYS A 79 4.658 -3.409 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.751 -5.775 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.411 -6.133 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.007 -3.708 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.422 -4.446 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.872 -6.592 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.038 -5.362 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.140 -5.233 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.352 -6.116 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.086 -3.876 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.647 -4.073 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.472 -3.218 9.053 1.00 0.00 H new ATOM 1196 N GLU A 80 7.481 -4.917 3.660 1.00 0.00 N ATOM 1197 CA GLU A 80 8.931 -4.783 3.728 1.00 0.00 C ATOM 1198 C GLU A 80 9.402 -3.567 2.937 1.00 0.00 C ATOM 1199 O GLU A 80 10.379 -2.914 3.307 1.00 0.00 O ATOM 1200 CB GLU A 80 9.607 -6.047 3.196 1.00 0.00 C ATOM 1201 CG GLU A 80 9.681 -7.171 4.215 1.00 0.00 C ATOM 1202 CD GLU A 80 10.938 -8.008 4.069 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.087 -8.677 3.025 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.771 -7.995 4.999 1.00 0.00 O ATOM 0 H GLU A 80 7.155 -5.668 3.051 1.00 0.00 H new ATOM 0 HA GLU A 80 9.210 -4.644 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.063 -6.398 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.616 -5.799 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.644 -6.749 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.807 -7.813 4.107 1.00 0.00 H new ATOM 1211 N LYS A 81 8.702 -3.268 1.848 1.00 0.00 N ATOM 1212 CA LYS A 81 9.050 -2.129 1.006 1.00 0.00 C ATOM 1213 C LYS A 81 8.778 -0.814 1.730 1.00 0.00 C ATOM 1214 O LYS A 81 9.453 0.188 1.492 1.00 0.00 O ATOM 1215 CB LYS A 81 8.259 -2.175 -0.303 1.00 0.00 C ATOM 1216 CG LYS A 81 8.840 -3.133 -1.331 1.00 0.00 C ATOM 1217 CD LYS A 81 8.120 -3.024 -2.667 1.00 0.00 C ATOM 1218 CE LYS A 81 8.937 -2.237 -3.679 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.619 -3.129 -4.657 1.00 0.00 N ATOM 0 H LYS A 81 7.891 -3.798 1.528 1.00 0.00 H new ATOM 0 HA LYS A 81 10.115 -2.187 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.231 -2.467 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.223 -1.173 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.900 -2.920 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.766 -4.155 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.921 -4.022 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.154 -2.540 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.285 -1.545 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.681 -1.636 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.165 -2.554 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.260 -3.773 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.908 -3.685 -5.174 1.00 0.00 H new ATOM 1233 N ILE A 82 7.787 -0.825 2.615 1.00 0.00 N ATOM 1234 CA ILE A 82 7.427 0.367 3.374 1.00 0.00 C ATOM 1235 C ILE A 82 8.468 0.668 4.447 1.00 0.00 C ATOM 1236 O ILE A 82 8.797 1.828 4.698 1.00 0.00 O ATOM 1237 CB ILE A 82 6.046 0.214 4.041 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.009 -0.255 3.019 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.615 1.529 4.678 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.706 -0.702 3.642 1.00 0.00 C ATOM 0 H ILE A 82 7.219 -1.646 2.824 1.00 0.00 H new ATOM 0 HA ILE A 82 7.388 1.194 2.666 1.00 0.00 H new ATOM 0 HB ILE A 82 6.120 -0.539 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.808 0.556 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.427 -1.079 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.638 1.404 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.343 1.823 5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.555 2.302 3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.019 -1.021 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.894 -1.534 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.265 0.126 4.197 1.00 0.00 H new ATOM 1252 N GLN A 83 8.983 -0.382 5.077 1.00 0.00 N ATOM 1253 CA GLN A 83 9.987 -0.230 6.124 1.00 0.00 C ATOM 1254 C GLN A 83 11.309 0.261 5.542 1.00 0.00 C ATOM 1255 O GLN A 83 11.968 1.128 6.115 1.00 0.00 O ATOM 1256 CB GLN A 83 10.199 -1.557 6.853 1.00 0.00 C ATOM 1257 CG GLN A 83 8.910 -2.201 7.333 1.00 0.00 C ATOM 1258 CD GLN A 83 8.503 -1.731 8.715 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.141 -0.855 9.298 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.434 -2.311 9.248 1.00 0.00 N ATOM 0 H GLN A 83 8.722 -1.348 4.881 1.00 0.00 H new ATOM 0 HA GLN A 83 9.625 0.513 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.715 -2.249 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.853 -1.391 7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.111 -1.976 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.031 -3.284 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.934 -3.033 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.113 -2.034 10.176 1.00 0.00 H new ATOM 1269 N ARG A 84 11.692 -0.302 4.400 1.00 0.00 N ATOM 1270 CA ARG A 84 12.936 0.077 3.740 1.00 0.00 C ATOM 1271 C ARG A 84 12.933 1.560 3.382 1.00 0.00 C ATOM 1272 O ARG A 84 13.963 2.230 3.459 1.00 0.00 O ATOM 1273 CB ARG A 84 13.147 -0.764 2.480 1.00 0.00 C ATOM 1274 CG ARG A 84 13.956 -2.028 2.722 1.00 0.00 C ATOM 1275 CD ARG A 84 14.601 -2.532 1.440 1.00 0.00 C ATOM 1276 NE ARG A 84 14.480 -3.980 1.298 1.00 0.00 N ATOM 1277 CZ ARG A 84 15.095 -4.857 2.090 1.00 0.00 C ATOM 1278 NH1 ARG A 84 15.873 -4.436 3.079 1.00 0.00 N ATOM 1279 NH2 ARG A 84 14.928 -6.158 1.892 1.00 0.00 N ATOM 0 H ARG A 84 11.159 -1.022 3.913 1.00 0.00 H new ATOM 0 HA ARG A 84 13.756 -0.109 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.175 -1.037 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.652 -0.157 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.728 -1.830 3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.308 -2.802 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.135 -2.044 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.655 -2.254 1.431 1.00 0.00 H new ATOM 0 HE ARG A 84 13.890 -4.341 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.003 -3.436 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.341 -5.112 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.329 -6.486 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.398 -6.831 2.498 1.00 0.00 H new ATOM 1293 N TRP A 85 11.769 2.067 2.988 1.00 0.00 N ATOM 1294 CA TRP A 85 11.634 3.471 2.616 1.00 0.00 C ATOM 1295 C TRP A 85 11.541 4.357 3.855 1.00 0.00 C ATOM 1296 O TRP A 85 12.314 5.302 4.013 1.00 0.00 O ATOM 1297 CB TRP A 85 10.397 3.672 1.739 1.00 0.00 C ATOM 1298 CG TRP A 85 10.232 5.082 1.261 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.013 5.737 0.352 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.222 6.013 1.668 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.551 7.018 0.170 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.452 7.212 0.967 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.146 5.949 2.557 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.646 8.335 1.127 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.346 7.066 2.716 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.599 8.245 2.004 1.00 0.00 C ATOM 0 H TRP A 85 10.906 1.527 2.918 1.00 0.00 H new ATOM 0 HA TRP A 85 12.522 3.757 2.052 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.460 3.008 0.877 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.510 3.380 2.302 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.869 5.310 -0.150 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.959 7.712 -0.456 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.943 5.044 3.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.840 9.245 0.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.512 7.028 3.401 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.955 9.100 2.150 1.00 0.00 H new ATOM 1317 N LEU A 86 10.590 4.045 4.730 1.00 0.00 N ATOM 1318 CA LEU A 86 10.393 4.813 5.956 1.00 0.00 C ATOM 1319 C LEU A 86 11.689 4.914 6.755 1.00 0.00 C ATOM 1320 O LEU A 86 11.940 5.915 7.427 1.00 0.00 O ATOM 1321 CB LEU A 86 9.302 4.170 6.815 1.00 0.00 C ATOM 1322 CG LEU A 86 7.871 4.563 6.446 1.00 0.00 C ATOM 1323 CD1 LEU A 86 6.895 3.475 6.865 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.500 5.890 7.089 1.00 0.00 C ATOM 0 H LEU A 86 9.943 3.265 4.613 1.00 0.00 H new ATOM 0 HA LEU A 86 10.083 5.820 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.395 3.086 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.478 4.436 7.857 1.00 0.00 H new ATOM 0 HG LEU A 86 7.814 4.678 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.882 3.772 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.148 2.544 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.955 3.328 7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.478 6.154 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.574 5.802 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.181 6.666 6.740 1.00 0.00 H new ATOM 1336 N ALA A 87 12.510 3.871 6.678 1.00 0.00 N ATOM 1337 CA ALA A 87 13.778 3.842 7.394 1.00 0.00 C ATOM 1338 C ALA A 87 14.873 4.555 6.605 1.00 0.00 C ATOM 1339 O ALA A 87 15.824 5.081 7.183 1.00 0.00 O ATOM 1340 CB ALA A 87 14.186 2.405 7.684 1.00 0.00 C ATOM 0 H ALA A 87 12.318 3.035 6.126 1.00 0.00 H new ATOM 0 HA ALA A 87 13.645 4.370 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.135 2.397 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.421 1.926 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.294 1.861 6.746 1.00 0.00 H new ATOM 1346 N GLU A 88 14.734 4.567 5.284 1.00 0.00 N ATOM 1347 CA GLU A 88 15.713 5.215 4.419 1.00 0.00 C ATOM 1348 C GLU A 88 15.451 6.714 4.321 1.00 0.00 C ATOM 1349 O GLU A 88 16.381 7.510 4.193 1.00 0.00 O ATOM 1350 CB GLU A 88 15.684 4.589 3.023 1.00 0.00 C ATOM 1351 CG GLU A 88 16.554 3.349 2.894 1.00 0.00 C ATOM 1352 CD GLU A 88 17.759 3.571 2.000 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.578 3.626 0.765 1.00 0.00 O ATOM 1354 OE2 GLU A 88 18.881 3.690 2.534 1.00 0.00 O ATOM 0 H GLU A 88 13.953 4.136 4.789 1.00 0.00 H new ATOM 0 HA GLU A 88 16.700 5.067 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.656 4.329 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.012 5.330 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.892 3.043 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.956 2.530 2.494 1.00 0.00 H new ATOM 1361 N ARG A 89 14.178 7.095 4.382 1.00 0.00 N ATOM 1362 CA ARG A 89 13.797 8.501 4.299 1.00 0.00 C ATOM 1363 C ARG A 89 13.902 9.186 5.662 1.00 0.00 C ATOM 1364 O ARG A 89 13.907 10.414 5.748 1.00 0.00 O ATOM 1365 CB ARG A 89 12.373 8.635 3.755 1.00 0.00 C ATOM 1366 CG ARG A 89 11.306 8.082 4.686 1.00 0.00 C ATOM 1367 CD ARG A 89 10.064 8.959 4.696 1.00 0.00 C ATOM 1368 NE ARG A 89 10.333 10.281 5.257 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.557 11.344 5.057 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.463 11.244 4.313 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.876 12.509 5.603 1.00 0.00 N ATOM 0 H ARG A 89 13.394 6.451 4.488 1.00 0.00 H new ATOM 0 HA ARG A 89 14.489 8.994 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.165 9.688 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.310 8.118 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.037 7.073 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.707 8.007 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.688 9.066 3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.280 8.471 5.276 1.00 0.00 H new ATOM 0 HE ARG A 89 11.165 10.396 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.213 10.350 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.872 12.062 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.716 12.591 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.282 13.324 5.450 1.00 0.00 H new ATOM 1385 N LYS A 90 13.985 8.388 6.724 1.00 0.00 N ATOM 1386 CA LYS A 90 14.089 8.925 8.076 1.00 0.00 C ATOM 1387 C LYS A 90 15.546 9.010 8.522 1.00 0.00 C ATOM 1388 O LYS A 90 15.867 8.739 9.679 1.00 0.00 O ATOM 1389 CB LYS A 90 13.293 8.057 9.054 1.00 0.00 C ATOM 1390 CG LYS A 90 11.819 8.419 9.128 1.00 0.00 C ATOM 1391 CD LYS A 90 11.566 9.520 10.145 1.00 0.00 C ATOM 1392 CE LYS A 90 11.226 8.949 11.512 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.400 8.963 12.429 1.00 0.00 N ATOM 0 H LYS A 90 13.982 7.369 6.673 1.00 0.00 H new ATOM 0 HA LYS A 90 13.673 9.932 8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.387 7.012 8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.731 8.149 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.473 8.743 8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.239 7.535 9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.449 10.154 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.749 10.154 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.413 9.526 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.866 7.926 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.088 8.744 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.091 8.251 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.842 9.904 12.413 1.00 0.00 H new ATOM 1407 N GLN A 91 16.422 9.389 7.598 1.00 0.00 N ATOM 1408 CA GLN A 91 17.845 9.510 7.897 1.00 0.00 C ATOM 1409 C GLN A 91 18.286 10.971 7.852 1.00 0.00 C ATOM 1410 O GLN A 91 19.170 11.386 8.602 1.00 0.00 O ATOM 1411 CB GLN A 91 18.668 8.681 6.908 1.00 0.00 C ATOM 1412 CG GLN A 91 19.333 7.468 7.539 1.00 0.00 C ATOM 1413 CD GLN A 91 20.708 7.780 8.096 1.00 0.00 C ATOM 1414 OE1 GLN A 91 20.863 8.657 8.945 1.00 0.00 O ATOM 1415 NE2 GLN A 91 21.717 7.061 7.616 1.00 0.00 N ATOM 0 H GLN A 91 16.172 9.618 6.636 1.00 0.00 H new ATOM 0 HA GLN A 91 18.015 9.130 8.904 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.020 8.349 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.435 9.316 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.699 7.086 8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.418 6.677 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 91 21.543 6.343 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 91 22.666 7.227 7.951 1.00 0.00 H new ATOM 1424 N GLN A 92 17.664 11.745 6.968 1.00 0.00 N ATOM 1425 CA GLN A 92 17.992 13.158 6.825 1.00 0.00 C ATOM 1426 C GLN A 92 17.084 14.019 7.698 1.00 0.00 C ATOM 1427 O GLN A 92 15.861 13.969 7.576 1.00 0.00 O ATOM 1428 CB GLN A 92 17.866 13.585 5.362 1.00 0.00 C ATOM 1429 CG GLN A 92 19.139 13.382 4.556 1.00 0.00 C ATOM 1430 CD GLN A 92 19.582 11.933 4.524 1.00 0.00 C ATOM 1431 OE1 GLN A 92 20.504 11.538 5.237 1.00 0.00 O ATOM 1432 NE2 GLN A 92 18.928 11.132 3.691 1.00 0.00 N ATOM 0 H GLN A 92 16.930 11.417 6.340 1.00 0.00 H new ATOM 0 HA GLN A 92 19.022 13.302 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 92 17.058 13.021 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.585 14.637 5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.979 13.732 3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 92 19.936 13.993 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.169 11.502 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.184 10.147 3.624 1.00 0.00 H new ATOM 1441 N SER A 93 17.692 14.807 8.578 1.00 0.00 N ATOM 1442 CA SER A 93 16.938 15.678 9.471 1.00 0.00 C ATOM 1443 C SER A 93 17.733 16.939 9.800 1.00 0.00 C ATOM 1444 O SER A 93 17.208 18.050 9.737 1.00 0.00 O ATOM 1445 CB SER A 93 16.580 14.936 10.760 1.00 0.00 C ATOM 1446 OG SER A 93 16.375 13.557 10.514 1.00 0.00 O ATOM 0 H SER A 93 18.704 14.860 8.692 1.00 0.00 H new ATOM 0 HA SER A 93 16.020 15.971 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.379 15.063 11.491 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.679 15.369 11.194 1.00 0.00 H new ATOM 0 HG SER A 93 16.149 13.105 11.354 1.00 0.00 H new ATOM 1452 N GLY A 94 19.002 16.756 10.150 1.00 0.00 N ATOM 1453 CA GLY A 94 19.848 17.886 10.484 1.00 0.00 C ATOM 1454 C GLY A 94 21.325 17.548 10.403 1.00 0.00 C ATOM 1455 O GLY A 94 22.050 17.683 11.391 1.00 0.00 O ATOM 0 H GLY A 94 19.459 15.846 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 94 19.630 18.712 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 94 19.611 18.228 11.491 1.00 0.00 H new ATOM 1459 N PRO A 95 21.807 17.101 9.230 1.00 0.00 N ATOM 1460 CA PRO A 95 23.217 16.744 9.039 1.00 0.00 C ATOM 1461 C PRO A 95 24.131 17.964 9.072 1.00 0.00 C ATOM 1462 O PRO A 95 23.788 19.024 8.550 1.00 0.00 O ATOM 1463 CB PRO A 95 23.236 16.100 7.651 1.00 0.00 C ATOM 1464 CG PRO A 95 22.062 16.681 6.945 1.00 0.00 C ATOM 1465 CD PRO A 95 21.015 16.910 8.001 1.00 0.00 C ATOM 0 HA PRO A 95 23.583 16.091 9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 95 24.164 16.323 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 95 23.160 15.015 7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 95 22.327 17.615 6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 95 21.696 16.004 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.403 17.784 7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.338 16.060 8.087 1.00 0.00 H new ATOM 1473 N SER A 96 25.297 17.806 9.690 1.00 0.00 N ATOM 1474 CA SER A 96 26.262 18.894 9.791 1.00 0.00 C ATOM 1475 C SER A 96 26.786 19.285 8.413 1.00 0.00 C ATOM 1476 O SER A 96 26.357 18.739 7.397 1.00 0.00 O ATOM 1477 CB SER A 96 27.427 18.488 10.696 1.00 0.00 C ATOM 1478 OG SER A 96 28.131 17.383 10.157 1.00 0.00 O ATOM 0 H SER A 96 25.596 16.935 10.128 1.00 0.00 H new ATOM 0 HA SER A 96 25.756 19.756 10.226 1.00 0.00 H new ATOM 0 HB2 SER A 96 28.107 19.331 10.819 1.00 0.00 H new ATOM 0 HB3 SER A 96 27.050 18.235 11.687 1.00 0.00 H new ATOM 0 HG SER A 96 28.871 17.144 10.753 1.00 0.00 H new ATOM 1484 N SER A 97 27.716 20.235 8.387 1.00 0.00 N ATOM 1485 CA SER A 97 28.298 20.700 7.134 1.00 0.00 C ATOM 1486 C SER A 97 29.764 21.081 7.324 1.00 0.00 C ATOM 1487 O SER A 97 30.199 21.377 8.436 1.00 0.00 O ATOM 1488 CB SER A 97 27.513 21.898 6.595 1.00 0.00 C ATOM 1489 OG SER A 97 26.548 21.488 5.642 1.00 0.00 O ATOM 0 H SER A 97 28.082 20.697 9.219 1.00 0.00 H new ATOM 0 HA SER A 97 28.243 19.885 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 97 27.019 22.414 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 97 28.199 22.611 6.138 1.00 0.00 H new ATOM 0 HG SER A 97 26.059 22.271 5.314 1.00 0.00 H new ATOM 1495 N GLY A 98 30.520 21.069 6.231 1.00 0.00 N ATOM 1496 CA GLY A 98 31.928 21.413 6.299 1.00 0.00 C ATOM 1497 C GLY A 98 32.830 20.244 5.956 1.00 0.00 C ATOM 1498 O GLY A 98 33.481 20.289 4.891 1.00 0.00 O ATOM 1499 OXT GLY A 98 32.884 19.283 6.752 1.00 0.00 O ATOM 0 H GLY A 98 30.183 20.827 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 98 32.131 22.237 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 98 32.164 21.767 7.303 1.00 0.00 H new TER 1503 GLY A 98