USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 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 20 HIS : no HE2:sc= 1.19 K(o=2.2,f=-6.5!) USER MOD Set 1.2: A 21 THR OG1 : rot -88:sc= 1 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.052 (180deg=-0.404) USER MOD Single : A 22 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.0049) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 81:sc= 1.25 USER MOD Single : A 31 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.93) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 22:sc= 0.979 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 48 SER OG : rot -170:sc= -1.01 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0.62 (180deg=0.533) USER MOD Single : A 55 SER OG : rot 87:sc= 1.27 USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= -0.826 (180deg=-1.06) USER MOD Single : A 59 SER OG : rot 117:sc= 1.24 USER MOD Single : A 64 CYS SG : rot 28:sc= 1.22 USER MOD Single : A 68 THR OG1 : rot 77:sc= 0.976 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0013 X(o=-0.0013,f=-0.0013) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 8:sc= 1.95 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 24.881 -3.323 0.636 1.00 0.00 N ATOM 2 CA LYS A 15 23.614 -2.565 0.627 1.00 0.00 C ATOM 3 C LYS A 15 22.463 -3.506 0.951 1.00 0.00 C ATOM 4 O LYS A 15 22.648 -4.722 0.967 1.00 0.00 O ATOM 5 CB LYS A 15 23.381 -1.934 -0.753 1.00 0.00 C ATOM 6 CG LYS A 15 24.559 -1.137 -1.285 1.00 0.00 C ATOM 7 CD LYS A 15 24.202 -0.421 -2.575 1.00 0.00 C ATOM 8 CE LYS A 15 25.430 0.177 -3.243 1.00 0.00 C ATOM 9 NZ LYS A 15 26.408 -0.868 -3.646 1.00 0.00 N ATOM 0 HA LYS A 15 23.669 -1.773 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 15 23.141 -2.724 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.511 -1.280 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 15 24.876 -0.409 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 15 25.404 -1.804 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 15 23.720 -1.120 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.480 0.369 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 15 25.124 0.746 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 15 25.909 0.878 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 27.055 -0.480 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 26.954 -1.172 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 25.900 -1.684 -4.043 1.00 0.00 H new ATOM 25 N PRO A 16 21.272 -2.969 1.251 1.00 0.00 N ATOM 26 CA PRO A 16 20.053 -3.773 1.310 1.00 0.00 C ATOM 27 C PRO A 16 19.772 -4.405 -0.052 1.00 0.00 C ATOM 28 O PRO A 16 19.306 -3.735 -0.972 1.00 0.00 O ATOM 29 CB PRO A 16 18.960 -2.761 1.678 1.00 0.00 C ATOM 30 CG PRO A 16 19.541 -1.428 1.356 1.00 0.00 C ATOM 31 CD PRO A 16 21.016 -1.560 1.591 1.00 0.00 C ATOM 0 HA PRO A 16 20.117 -4.594 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 16 18.048 -2.941 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.696 -2.832 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 16 19.333 -1.149 0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 16 19.112 -0.651 1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 16 21.589 -0.880 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 16 21.283 -1.338 2.624 1.00 0.00 H new ATOM 39 N GLU A 17 20.069 -5.690 -0.183 1.00 0.00 N ATOM 40 CA GLU A 17 20.095 -6.327 -1.495 1.00 0.00 C ATOM 41 C GLU A 17 18.743 -6.901 -1.894 1.00 0.00 C ATOM 42 O GLU A 17 18.624 -7.583 -2.911 1.00 0.00 O ATOM 43 CB GLU A 17 21.155 -7.429 -1.529 1.00 0.00 C ATOM 44 CG GLU A 17 22.570 -6.943 -1.246 1.00 0.00 C ATOM 45 CD GLU A 17 23.081 -5.949 -2.271 1.00 0.00 C ATOM 46 OE1 GLU A 17 22.784 -6.118 -3.471 1.00 0.00 O ATOM 47 OE2 GLU A 17 23.806 -5.004 -1.885 1.00 0.00 O ATOM 0 H GLU A 17 20.294 -6.309 0.596 1.00 0.00 H new ATOM 0 HA GLU A 17 20.345 -5.550 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.892 -8.193 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.136 -7.906 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.597 -6.482 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.242 -7.801 -1.216 1.00 0.00 H new ATOM 54 N VAL A 18 17.726 -6.606 -1.116 1.00 0.00 N ATOM 55 CA VAL A 18 16.388 -7.111 -1.403 1.00 0.00 C ATOM 56 C VAL A 18 15.514 -6.010 -1.985 1.00 0.00 C ATOM 57 O VAL A 18 14.967 -6.142 -3.082 1.00 0.00 O ATOM 58 CB VAL A 18 15.708 -7.697 -0.145 1.00 0.00 C ATOM 59 CG1 VAL A 18 14.362 -8.314 -0.495 1.00 0.00 C ATOM 60 CG2 VAL A 18 16.612 -8.724 0.522 1.00 0.00 C ATOM 0 H VAL A 18 17.791 -6.022 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 18 16.501 -7.913 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 18 15.535 -6.883 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.902 -8.720 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.712 -7.550 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.506 -9.114 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.116 -9.126 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 18 16.820 -9.534 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.548 -8.249 0.815 1.00 0.00 H new ATOM 70 N GLU A 19 15.404 -4.923 -1.251 1.00 0.00 N ATOM 71 CA GLU A 19 14.571 -3.801 -1.656 1.00 0.00 C ATOM 72 C GLU A 19 15.419 -2.667 -2.219 1.00 0.00 C ATOM 73 O GLU A 19 14.951 -1.891 -3.050 1.00 0.00 O ATOM 74 CB GLU A 19 13.768 -3.309 -0.457 1.00 0.00 C ATOM 75 CG GLU A 19 12.813 -4.353 0.093 1.00 0.00 C ATOM 76 CD GLU A 19 12.240 -3.963 1.435 1.00 0.00 C ATOM 77 OE1 GLU A 19 12.858 -4.300 2.465 1.00 0.00 O ATOM 78 OE2 GLU A 19 11.168 -3.325 1.472 1.00 0.00 O ATOM 0 H GLU A 19 15.885 -4.788 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 19 13.892 -4.135 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.456 -3.004 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.201 -2.424 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.999 -4.505 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.336 -5.305 0.187 1.00 0.00 H new ATOM 85 N HIS A 20 16.668 -2.596 -1.757 1.00 0.00 N ATOM 86 CA HIS A 20 17.622 -1.563 -2.173 1.00 0.00 C ATOM 87 C HIS A 20 17.179 -0.176 -1.711 1.00 0.00 C ATOM 88 O HIS A 20 17.659 0.333 -0.699 1.00 0.00 O ATOM 89 CB HIS A 20 17.833 -1.578 -3.693 1.00 0.00 C ATOM 90 CG HIS A 20 18.940 -0.676 -4.161 1.00 0.00 C ATOM 91 ND1 HIS A 20 18.729 0.605 -4.628 1.00 0.00 N ATOM 92 CD2 HIS A 20 20.274 -0.888 -4.245 1.00 0.00 C ATOM 93 CE1 HIS A 20 19.886 1.138 -4.978 1.00 0.00 C ATOM 94 NE2 HIS A 20 20.838 0.253 -4.755 1.00 0.00 N ATOM 0 H HIS A 20 17.050 -3.256 -1.080 1.00 0.00 H new ATOM 0 HA HIS A 20 18.574 -1.793 -1.694 1.00 0.00 H new ATOM 0 HB2 HIS A 20 18.050 -2.598 -4.010 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.905 -1.282 -4.182 1.00 0.00 H new ATOM 0 HD1 HIS A 20 17.822 1.068 -4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.798 -1.789 -3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.028 2.131 -5.379 1.00 0.00 H new ATOM 103 N THR A 21 16.249 0.420 -2.438 1.00 0.00 N ATOM 104 CA THR A 21 15.839 1.782 -2.172 1.00 0.00 C ATOM 105 C THR A 21 14.657 1.815 -1.205 1.00 0.00 C ATOM 106 O THR A 21 13.499 1.695 -1.608 1.00 0.00 O ATOM 107 CB THR A 21 15.464 2.503 -3.481 1.00 0.00 C ATOM 108 OG1 THR A 21 16.404 2.154 -4.512 1.00 0.00 O ATOM 109 CG2 THR A 21 15.463 4.013 -3.288 1.00 0.00 C ATOM 0 H THR A 21 15.764 -0.022 -3.219 1.00 0.00 H new ATOM 0 HA THR A 21 16.681 2.300 -1.713 1.00 0.00 H new ATOM 0 HB THR A 21 14.462 2.188 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.164 2.772 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.195 4.500 -4.226 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.737 4.281 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.456 4.341 -2.979 1.00 0.00 H new ATOM 117 N HIS A 22 14.958 1.959 0.081 1.00 0.00 N ATOM 118 CA HIS A 22 13.920 2.051 1.102 1.00 0.00 C ATOM 119 C HIS A 22 13.117 3.327 0.928 1.00 0.00 C ATOM 120 O HIS A 22 11.925 3.357 1.207 1.00 0.00 O ATOM 121 CB HIS A 22 14.516 2.011 2.510 1.00 0.00 C ATOM 122 CG HIS A 22 15.011 0.661 2.929 1.00 0.00 C ATOM 123 ND1 HIS A 22 16.344 0.363 3.097 1.00 0.00 N ATOM 124 CD2 HIS A 22 14.335 -0.468 3.242 1.00 0.00 C ATOM 125 CE1 HIS A 22 16.467 -0.888 3.496 1.00 0.00 C ATOM 126 NE2 HIS A 22 15.262 -1.416 3.592 1.00 0.00 N ATOM 0 H HIS A 22 15.911 2.015 0.441 1.00 0.00 H new ATOM 0 HA HIS A 22 13.264 1.189 0.980 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.341 2.721 2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.761 2.346 3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 22 13.263 -0.599 3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.397 -1.394 3.708 1.00 0.00 H new ATOM 0 HE2 HIS A 22 15.054 -2.372 3.879 1.00 0.00 H new ATOM 135 N SER A 23 13.774 4.376 0.449 1.00 0.00 N ATOM 136 CA SER A 23 13.105 5.648 0.216 1.00 0.00 C ATOM 137 C SER A 23 11.987 5.480 -0.809 1.00 0.00 C ATOM 138 O SER A 23 10.939 6.121 -0.714 1.00 0.00 O ATOM 139 CB SER A 23 14.113 6.698 -0.259 1.00 0.00 C ATOM 140 OG SER A 23 13.518 7.981 -0.352 1.00 0.00 O ATOM 0 H SER A 23 14.767 4.371 0.215 1.00 0.00 H new ATOM 0 HA SER A 23 12.665 5.988 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.955 6.735 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.511 6.409 -1.231 1.00 0.00 H new ATOM 0 HG SER A 23 14.186 8.630 -0.656 1.00 0.00 H new ATOM 146 N GLU A 24 12.200 4.586 -1.771 1.00 0.00 N ATOM 147 CA GLU A 24 11.214 4.346 -2.809 1.00 0.00 C ATOM 148 C GLU A 24 9.983 3.668 -2.226 1.00 0.00 C ATOM 149 O GLU A 24 8.858 4.069 -2.513 1.00 0.00 O ATOM 150 CB GLU A 24 11.807 3.503 -3.941 1.00 0.00 C ATOM 151 CG GLU A 24 10.856 3.307 -5.112 1.00 0.00 C ATOM 152 CD GLU A 24 11.516 2.643 -6.302 1.00 0.00 C ATOM 153 OE1 GLU A 24 11.471 1.399 -6.404 1.00 0.00 O ATOM 154 OE2 GLU A 24 12.075 3.367 -7.152 1.00 0.00 O ATOM 0 H GLU A 24 13.045 4.020 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 24 10.916 5.308 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.719 3.980 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.091 2.527 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.009 2.702 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.458 4.275 -5.417 1.00 0.00 H new ATOM 161 N ARG A 25 10.192 2.657 -1.389 1.00 0.00 N ATOM 162 CA ARG A 25 9.073 1.981 -0.743 1.00 0.00 C ATOM 163 C ARG A 25 8.404 2.939 0.240 1.00 0.00 C ATOM 164 O ARG A 25 7.184 2.965 0.368 1.00 0.00 O ATOM 165 CB ARG A 25 9.524 0.695 -0.023 1.00 0.00 C ATOM 166 CG ARG A 25 10.091 0.927 1.370 1.00 0.00 C ATOM 167 CD ARG A 25 10.361 -0.374 2.106 1.00 0.00 C ATOM 168 NE ARG A 25 10.643 -0.138 3.522 1.00 0.00 N ATOM 169 CZ ARG A 25 10.952 -1.095 4.398 1.00 0.00 C ATOM 170 NH1 ARG A 25 11.117 -2.349 3.997 1.00 0.00 N ATOM 171 NH2 ARG A 25 11.118 -0.789 5.679 1.00 0.00 N ATOM 0 H ARG A 25 11.112 2.292 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 25 8.358 1.686 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.674 0.016 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.278 0.196 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.017 1.497 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.392 1.531 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.499 -1.034 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.206 -0.886 1.646 1.00 0.00 H new ATOM 0 HE ARG A 25 10.600 0.823 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.008 -2.588 3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.353 -3.074 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.009 0.176 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.354 -1.519 6.351 1.00 0.00 H new ATOM 185 N GLU A 26 9.224 3.749 0.907 1.00 0.00 N ATOM 186 CA GLU A 26 8.746 4.696 1.901 1.00 0.00 C ATOM 187 C GLU A 26 7.778 5.698 1.288 1.00 0.00 C ATOM 188 O GLU A 26 6.718 5.976 1.854 1.00 0.00 O ATOM 189 CB GLU A 26 9.937 5.428 2.517 1.00 0.00 C ATOM 190 CG GLU A 26 9.556 6.511 3.507 1.00 0.00 C ATOM 191 CD GLU A 26 10.766 7.232 4.049 1.00 0.00 C ATOM 192 OE1 GLU A 26 11.126 8.296 3.507 1.00 0.00 O ATOM 193 OE2 GLU A 26 11.379 6.729 5.009 1.00 0.00 O ATOM 0 H GLU A 26 10.235 3.764 0.771 1.00 0.00 H new ATOM 0 HA GLU A 26 8.211 4.146 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.576 4.701 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.528 5.874 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.893 7.228 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.998 6.068 4.332 1.00 0.00 H new ATOM 200 N LYS A 27 8.126 6.228 0.122 1.00 0.00 N ATOM 201 CA LYS A 27 7.264 7.192 -0.534 1.00 0.00 C ATOM 202 C LYS A 27 6.021 6.502 -1.076 1.00 0.00 C ATOM 203 O LYS A 27 4.940 7.081 -1.080 1.00 0.00 O ATOM 204 CB LYS A 27 7.999 7.948 -1.649 1.00 0.00 C ATOM 205 CG LYS A 27 8.391 7.097 -2.844 1.00 0.00 C ATOM 206 CD LYS A 27 8.991 7.951 -3.945 1.00 0.00 C ATOM 207 CE LYS A 27 9.404 7.115 -5.144 1.00 0.00 C ATOM 208 NZ LYS A 27 9.891 7.964 -6.262 1.00 0.00 N ATOM 0 H LYS A 27 8.987 6.008 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 27 6.962 7.930 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.365 8.764 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.899 8.399 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.110 6.338 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.515 6.571 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.266 8.703 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.858 8.486 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.187 6.417 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.556 6.519 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.164 7.360 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.135 8.613 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.715 8.514 -5.947 1.00 0.00 H new ATOM 222 N ARG A 28 6.168 5.249 -1.499 1.00 0.00 N ATOM 223 CA ARG A 28 5.033 4.480 -1.989 1.00 0.00 C ATOM 224 C ARG A 28 4.037 4.217 -0.866 1.00 0.00 C ATOM 225 O ARG A 28 2.831 4.366 -1.054 1.00 0.00 O ATOM 226 CB ARG A 28 5.482 3.161 -2.616 1.00 0.00 C ATOM 227 CG ARG A 28 6.280 3.332 -3.897 1.00 0.00 C ATOM 228 CD ARG A 28 6.466 2.011 -4.630 1.00 0.00 C ATOM 229 NE ARG A 28 7.155 1.007 -3.820 1.00 0.00 N ATOM 230 CZ ARG A 28 8.290 0.409 -4.180 1.00 0.00 C ATOM 231 NH1 ARG A 28 8.879 0.724 -5.327 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.825 -0.521 -3.401 1.00 0.00 N ATOM 0 H ARG A 28 7.057 4.749 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 28 4.543 5.072 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.086 2.613 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.603 2.551 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.771 4.041 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.256 3.758 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.491 1.625 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.033 2.185 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 28 6.741 0.749 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.463 1.427 -5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.748 0.263 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.368 -0.779 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.694 -0.979 -3.676 1.00 0.00 H new ATOM 246 N VAL A 29 4.545 3.835 0.305 1.00 0.00 N ATOM 247 CA VAL A 29 3.699 3.667 1.481 1.00 0.00 C ATOM 248 C VAL A 29 3.029 4.991 1.829 1.00 0.00 C ATOM 249 O VAL A 29 1.832 5.037 2.090 1.00 0.00 O ATOM 250 CB VAL A 29 4.496 3.154 2.705 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.612 3.085 3.947 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.102 1.790 2.416 1.00 0.00 C ATOM 0 H VAL A 29 5.533 3.637 0.462 1.00 0.00 H new ATOM 0 HA VAL A 29 2.946 2.917 1.237 1.00 0.00 H new ATOM 0 HB VAL A 29 5.302 3.862 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.198 2.721 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.226 4.079 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.780 2.406 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.658 1.447 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.307 1.079 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.776 1.865 1.563 1.00 0.00 H new ATOM 262 N SER A 30 3.806 6.068 1.798 1.00 0.00 N ATOM 263 CA SER A 30 3.279 7.399 2.070 1.00 0.00 C ATOM 264 C SER A 30 2.157 7.750 1.087 1.00 0.00 C ATOM 265 O SER A 30 1.108 8.259 1.489 1.00 0.00 O ATOM 266 CB SER A 30 4.404 8.434 1.994 1.00 0.00 C ATOM 267 OG SER A 30 5.466 8.098 2.879 1.00 0.00 O ATOM 0 H SER A 30 4.804 6.045 1.587 1.00 0.00 H new ATOM 0 HA SER A 30 2.861 7.408 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.781 8.492 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.014 9.420 2.246 1.00 0.00 H new ATOM 0 HG SER A 30 6.033 7.414 2.465 1.00 0.00 H new ATOM 273 N ASN A 31 2.375 7.452 -0.193 1.00 0.00 N ATOM 274 CA ASN A 31 1.372 7.689 -1.229 1.00 0.00 C ATOM 275 C ASN A 31 0.125 6.856 -0.973 1.00 0.00 C ATOM 276 O ASN A 31 -0.994 7.300 -1.207 1.00 0.00 O ATOM 277 CB ASN A 31 1.930 7.345 -2.614 1.00 0.00 C ATOM 278 CG ASN A 31 3.007 8.305 -3.076 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.008 9.483 -2.713 1.00 0.00 O ATOM 280 ND2 ASN A 31 3.929 7.812 -3.889 1.00 0.00 N ATOM 0 H ASN A 31 3.243 7.043 -0.539 1.00 0.00 H new ATOM 0 HA ASN A 31 1.111 8.747 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.337 6.334 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.115 7.347 -3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.675 8.413 -4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.893 6.831 -4.166 1.00 0.00 H new ATOM 287 N ALA A 32 0.328 5.647 -0.487 1.00 0.00 N ATOM 288 CA ALA A 32 -0.769 4.736 -0.221 1.00 0.00 C ATOM 289 C ALA A 32 -1.563 5.184 0.991 1.00 0.00 C ATOM 290 O ALA A 32 -2.787 5.198 0.960 1.00 0.00 O ATOM 291 CB ALA A 32 -0.244 3.327 -0.030 1.00 0.00 C ATOM 0 H ALA A 32 1.250 5.270 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.440 4.743 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.077 2.652 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.275 3.006 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.448 3.308 0.812 1.00 0.00 H new ATOM 297 N VAL A 33 -0.864 5.572 2.046 1.00 0.00 N ATOM 298 CA VAL A 33 -1.515 6.030 3.264 1.00 0.00 C ATOM 299 C VAL A 33 -2.358 7.271 2.984 1.00 0.00 C ATOM 300 O VAL A 33 -3.492 7.377 3.447 1.00 0.00 O ATOM 301 CB VAL A 33 -0.480 6.334 4.373 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.155 6.859 5.634 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.328 5.089 4.695 1.00 0.00 C ATOM 0 H VAL A 33 0.155 5.579 2.084 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.165 5.229 3.614 1.00 0.00 H new ATOM 0 HB VAL A 33 0.189 7.109 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.400 7.063 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.694 7.778 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.855 6.113 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.052 5.317 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.341 4.300 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.853 4.755 3.800 1.00 0.00 H new ATOM 313 N GLU A 34 -1.814 8.195 2.203 1.00 0.00 N ATOM 314 CA GLU A 34 -2.534 9.414 1.863 1.00 0.00 C ATOM 315 C GLU A 34 -3.713 9.112 0.931 1.00 0.00 C ATOM 316 O GLU A 34 -4.775 9.725 1.043 1.00 0.00 O ATOM 317 CB GLU A 34 -1.590 10.447 1.236 1.00 0.00 C ATOM 318 CG GLU A 34 -1.115 10.100 -0.161 1.00 0.00 C ATOM 319 CD GLU A 34 -0.301 11.209 -0.788 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.792 11.841 -1.745 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.829 11.470 -0.318 1.00 0.00 O ATOM 0 H GLU A 34 -0.882 8.124 1.795 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.935 9.838 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.097 11.411 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.720 10.565 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.515 9.191 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.978 9.886 -0.792 1.00 0.00 H new ATOM 328 N PHE A 35 -3.519 8.160 0.021 1.00 0.00 N ATOM 329 CA PHE A 35 -4.557 7.778 -0.932 1.00 0.00 C ATOM 330 C PHE A 35 -5.678 7.018 -0.230 1.00 0.00 C ATOM 331 O PHE A 35 -6.855 7.271 -0.465 1.00 0.00 O ATOM 332 CB PHE A 35 -3.942 6.919 -2.045 1.00 0.00 C ATOM 333 CG PHE A 35 -4.913 6.468 -3.100 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.351 7.343 -4.080 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.377 5.162 -3.117 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.231 6.924 -5.061 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.258 4.737 -4.093 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.686 5.620 -5.065 1.00 0.00 C ATOM 0 H PHE A 35 -2.648 7.637 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.984 8.680 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.144 7.486 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.482 6.040 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.001 8.365 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.046 4.468 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.562 7.615 -5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.611 3.716 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.376 5.291 -5.828 1.00 0.00 H new ATOM 348 N LEU A 36 -5.299 6.110 0.655 1.00 0.00 N ATOM 349 CA LEU A 36 -6.256 5.308 1.406 1.00 0.00 C ATOM 350 C LEU A 36 -7.060 6.171 2.373 1.00 0.00 C ATOM 351 O LEU A 36 -8.220 5.876 2.664 1.00 0.00 O ATOM 352 CB LEU A 36 -5.535 4.192 2.158 1.00 0.00 C ATOM 353 CG LEU A 36 -4.969 3.073 1.286 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.184 2.090 2.137 1.00 0.00 C ATOM 355 CD2 LEU A 36 -6.081 2.358 0.540 1.00 0.00 C ATOM 0 H LEU A 36 -4.324 5.907 0.874 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.954 4.861 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.718 4.632 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.228 3.754 2.876 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.296 3.516 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.786 1.297 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.361 2.610 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.841 1.656 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.655 1.565 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.780 1.926 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.607 3.069 -0.098 1.00 0.00 H new ATOM 367 N LEU A 37 -6.442 7.237 2.864 1.00 0.00 N ATOM 368 CA LEU A 37 -7.092 8.131 3.815 1.00 0.00 C ATOM 369 C LEU A 37 -7.928 9.187 3.110 1.00 0.00 C ATOM 370 O LEU A 37 -8.434 10.116 3.742 1.00 0.00 O ATOM 371 CB LEU A 37 -6.058 8.812 4.711 1.00 0.00 C ATOM 372 CG LEU A 37 -5.720 8.055 5.991 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.637 8.779 6.773 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.972 7.885 6.838 1.00 0.00 C ATOM 0 H LEU A 37 -5.489 7.505 2.619 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.755 7.521 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.142 8.956 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.426 9.802 4.978 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.340 7.069 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.411 8.222 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.738 8.857 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.984 9.778 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.723 7.343 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.373 8.865 7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.718 7.324 6.275 1.00 0.00 H new ATOM 386 N ASP A 38 -8.068 9.053 1.805 1.00 0.00 N ATOM 387 CA ASP A 38 -8.916 9.955 1.054 1.00 0.00 C ATOM 388 C ASP A 38 -10.373 9.525 1.175 1.00 0.00 C ATOM 389 O ASP A 38 -10.681 8.336 1.109 1.00 0.00 O ATOM 390 CB ASP A 38 -8.497 10.000 -0.413 1.00 0.00 C ATOM 391 CG ASP A 38 -9.410 10.871 -1.244 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.302 10.323 -1.913 1.00 0.00 O ATOM 393 OD2 ASP A 38 -9.246 12.110 -1.224 1.00 0.00 O ATOM 0 H ASP A 38 -7.609 8.333 1.247 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.806 10.957 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.476 10.375 -0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.495 8.988 -0.819 1.00 0.00 H new ATOM 398 N SER A 39 -11.262 10.492 1.353 1.00 0.00 N ATOM 399 CA SER A 39 -12.675 10.214 1.561 1.00 0.00 C ATOM 400 C SER A 39 -13.294 9.492 0.362 1.00 0.00 C ATOM 401 O SER A 39 -14.150 8.624 0.525 1.00 0.00 O ATOM 402 CB SER A 39 -13.417 11.520 1.832 1.00 0.00 C ATOM 403 OG SER A 39 -12.787 12.251 2.871 1.00 0.00 O ATOM 0 H SER A 39 -11.026 11.484 1.357 1.00 0.00 H new ATOM 0 HA SER A 39 -12.768 9.553 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.446 12.122 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.450 11.306 2.106 1.00 0.00 H new ATOM 0 HG SER A 39 -13.277 13.085 3.028 1.00 0.00 H new ATOM 409 N ARG A 40 -12.856 9.849 -0.839 1.00 0.00 N ATOM 410 CA ARG A 40 -13.383 9.235 -2.051 1.00 0.00 C ATOM 411 C ARG A 40 -12.905 7.793 -2.144 1.00 0.00 C ATOM 412 O ARG A 40 -13.656 6.894 -2.531 1.00 0.00 O ATOM 413 CB ARG A 40 -12.963 10.004 -3.313 1.00 0.00 C ATOM 414 CG ARG A 40 -13.395 11.469 -3.355 1.00 0.00 C ATOM 415 CD ARG A 40 -12.518 12.348 -2.473 1.00 0.00 C ATOM 416 NE ARG A 40 -12.766 13.771 -2.673 1.00 0.00 N ATOM 417 CZ ARG A 40 -11.888 14.726 -2.364 1.00 0.00 C ATOM 418 NH1 ARG A 40 -10.695 14.411 -1.866 1.00 0.00 N ATOM 419 NH2 ARG A 40 -12.199 15.999 -2.567 1.00 0.00 N ATOM 0 H ARG A 40 -12.140 10.558 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.471 9.264 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.878 9.959 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.376 9.495 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.353 11.830 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.432 11.550 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.694 12.096 -1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.470 12.133 -2.681 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.662 14.052 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.446 13.433 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.029 15.148 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.108 16.246 -2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.529 16.731 -2.332 1.00 0.00 H new ATOM 433 N VAL A 41 -11.652 7.587 -1.764 1.00 0.00 N ATOM 434 CA VAL A 41 -11.022 6.276 -1.839 1.00 0.00 C ATOM 435 C VAL A 41 -11.496 5.359 -0.713 1.00 0.00 C ATOM 436 O VAL A 41 -11.677 4.160 -0.909 1.00 0.00 O ATOM 437 CB VAL A 41 -9.488 6.399 -1.794 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.830 5.027 -1.842 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.001 7.271 -2.940 1.00 0.00 C ATOM 0 H VAL A 41 -11.046 8.320 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.317 5.834 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.206 6.870 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.747 5.142 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.159 4.436 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.113 4.520 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.915 7.352 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.296 6.823 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.442 8.264 -2.855 1.00 0.00 H new ATOM 449 N ARG A 42 -11.711 5.915 0.467 1.00 0.00 N ATOM 450 CA ARG A 42 -12.232 5.125 1.572 1.00 0.00 C ATOM 451 C ARG A 42 -13.654 4.669 1.256 1.00 0.00 C ATOM 452 O ARG A 42 -14.153 3.707 1.840 1.00 0.00 O ATOM 453 CB ARG A 42 -12.172 5.896 2.898 1.00 0.00 C ATOM 454 CG ARG A 42 -13.163 7.037 3.024 1.00 0.00 C ATOM 455 CD ARG A 42 -12.938 7.807 4.317 1.00 0.00 C ATOM 456 NE ARG A 42 -13.896 8.897 4.496 1.00 0.00 N ATOM 457 CZ ARG A 42 -13.878 9.740 5.530 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.968 9.607 6.488 1.00 0.00 N ATOM 459 NH2 ARG A 42 -14.777 10.714 5.606 1.00 0.00 N ATOM 0 H ARG A 42 -11.536 6.896 0.684 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.601 4.244 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.342 5.196 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.165 6.294 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.061 7.709 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.180 6.646 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.011 7.121 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.926 8.213 4.323 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.621 9.020 3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.278 8.858 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.959 10.254 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.480 10.817 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.764 11.359 6.396 1.00 0.00 H new ATOM 473 N ARG A 43 -14.295 5.364 0.321 1.00 0.00 N ATOM 474 CA ARG A 43 -15.652 5.034 -0.090 1.00 0.00 C ATOM 475 C ARG A 43 -15.667 3.906 -1.135 1.00 0.00 C ATOM 476 O ARG A 43 -16.691 3.253 -1.328 1.00 0.00 O ATOM 477 CB ARG A 43 -16.343 6.283 -0.648 1.00 0.00 C ATOM 478 CG ARG A 43 -17.816 6.085 -0.975 1.00 0.00 C ATOM 479 CD ARG A 43 -18.611 5.712 0.262 1.00 0.00 C ATOM 480 NE ARG A 43 -20.027 5.499 -0.028 1.00 0.00 N ATOM 481 CZ ARG A 43 -20.936 5.211 0.901 1.00 0.00 C ATOM 482 NH1 ARG A 43 -20.574 5.093 2.174 1.00 0.00 N ATOM 483 NH2 ARG A 43 -22.207 5.034 0.561 1.00 0.00 N ATOM 0 H ARG A 43 -13.892 6.163 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.195 4.679 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.248 7.092 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.821 6.601 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.221 7.000 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.922 5.303 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.192 4.806 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.510 6.502 1.007 1.00 0.00 H new ATOM 0 HE ARG A 43 -20.337 5.575 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.598 5.223 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -21.272 4.872 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.490 5.119 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.900 4.813 1.276 1.00 0.00 H new ATOM 497 N THR A 44 -14.538 3.664 -1.796 1.00 0.00 N ATOM 498 CA THR A 44 -14.458 2.582 -2.769 1.00 0.00 C ATOM 499 C THR A 44 -14.201 1.244 -2.082 1.00 0.00 C ATOM 500 O THR A 44 -13.771 1.207 -0.927 1.00 0.00 O ATOM 501 CB THR A 44 -13.363 2.827 -3.833 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.192 3.408 -3.253 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.871 3.716 -4.955 1.00 0.00 C ATOM 0 H THR A 44 -13.676 4.196 -1.677 1.00 0.00 H new ATOM 0 HA THR A 44 -15.424 2.554 -3.274 1.00 0.00 H new ATOM 0 HB THR A 44 -13.102 1.854 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.174 3.217 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.077 3.869 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.723 3.240 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.178 4.679 -4.546 1.00 0.00 H new ATOM 511 N PRO A 45 -14.482 0.126 -2.773 1.00 0.00 N ATOM 512 CA PRO A 45 -14.201 -1.216 -2.254 1.00 0.00 C ATOM 513 C PRO A 45 -12.715 -1.420 -1.968 1.00 0.00 C ATOM 514 O PRO A 45 -11.856 -0.827 -2.631 1.00 0.00 O ATOM 515 CB PRO A 45 -14.663 -2.149 -3.381 1.00 0.00 C ATOM 516 CG PRO A 45 -14.723 -1.289 -4.595 1.00 0.00 C ATOM 517 CD PRO A 45 -15.109 0.074 -4.104 1.00 0.00 C ATOM 0 HA PRO A 45 -14.706 -1.399 -1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.967 -2.977 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.637 -2.585 -3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.760 -1.264 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.453 -1.670 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.736 0.861 -4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.191 0.193 -4.047 1.00 0.00 H new ATOM 525 N THR A 46 -12.422 -2.259 -0.983 1.00 0.00 N ATOM 526 CA THR A 46 -11.051 -2.518 -0.563 1.00 0.00 C ATOM 527 C THR A 46 -10.219 -3.087 -1.710 1.00 0.00 C ATOM 528 O THR A 46 -9.038 -2.770 -1.852 1.00 0.00 O ATOM 529 CB THR A 46 -11.037 -3.515 0.604 1.00 0.00 C ATOM 530 OG1 THR A 46 -12.285 -3.445 1.306 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.899 -3.212 1.565 1.00 0.00 C ATOM 0 H THR A 46 -13.124 -2.777 -0.455 1.00 0.00 H new ATOM 0 HA THR A 46 -10.616 -1.569 -0.249 1.00 0.00 H new ATOM 0 HB THR A 46 -10.891 -4.517 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.278 -4.082 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.912 -3.933 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.948 -3.280 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.020 -2.206 1.966 1.00 0.00 H new ATOM 539 N SER A 47 -10.853 -3.915 -2.530 1.00 0.00 N ATOM 540 CA SER A 47 -10.191 -4.539 -3.666 1.00 0.00 C ATOM 541 C SER A 47 -9.628 -3.489 -4.619 1.00 0.00 C ATOM 542 O SER A 47 -8.500 -3.613 -5.101 1.00 0.00 O ATOM 543 CB SER A 47 -11.182 -5.442 -4.396 1.00 0.00 C ATOM 544 OG SER A 47 -12.409 -4.764 -4.618 1.00 0.00 O ATOM 0 H SER A 47 -11.835 -4.171 -2.427 1.00 0.00 H new ATOM 0 HA SER A 47 -9.356 -5.136 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.759 -5.759 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.360 -6.344 -3.810 1.00 0.00 H new ATOM 0 HG SER A 47 -13.031 -5.358 -5.088 1.00 0.00 H new ATOM 550 N SER A 48 -10.413 -2.448 -4.868 1.00 0.00 N ATOM 551 CA SER A 48 -9.999 -1.354 -5.720 1.00 0.00 C ATOM 552 C SER A 48 -8.781 -0.643 -5.145 1.00 0.00 C ATOM 553 O SER A 48 -7.815 -0.370 -5.858 1.00 0.00 O ATOM 554 CB SER A 48 -11.151 -0.372 -5.873 1.00 0.00 C ATOM 555 OG SER A 48 -12.194 -0.925 -6.658 1.00 0.00 O ATOM 0 H SER A 48 -11.352 -2.344 -4.483 1.00 0.00 H new ATOM 0 HA SER A 48 -9.725 -1.755 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.536 -0.103 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.791 0.546 -6.337 1.00 0.00 H new ATOM 0 HG SER A 48 -12.847 -0.227 -6.873 1.00 0.00 H new ATOM 561 N LYS A 49 -8.835 -0.367 -3.848 1.00 0.00 N ATOM 562 CA LYS A 49 -7.743 0.311 -3.160 1.00 0.00 C ATOM 563 C LYS A 49 -6.446 -0.469 -3.329 1.00 0.00 C ATOM 564 O LYS A 49 -5.420 0.085 -3.724 1.00 0.00 O ATOM 565 CB LYS A 49 -8.053 0.435 -1.670 1.00 0.00 C ATOM 566 CG LYS A 49 -9.412 1.032 -1.356 1.00 0.00 C ATOM 567 CD LYS A 49 -9.668 1.045 0.143 1.00 0.00 C ATOM 568 CE LYS A 49 -11.118 1.357 0.454 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.394 1.338 1.917 1.00 0.00 N ATOM 0 H LYS A 49 -9.626 -0.603 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.632 1.304 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.991 -0.554 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.284 1.049 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.466 2.048 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.191 0.456 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.404 0.076 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.025 1.787 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.372 2.337 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.760 0.631 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.397 1.557 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.177 0.395 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.801 2.049 2.391 1.00 0.00 H new ATOM 583 N VAL A 50 -6.515 -1.765 -3.051 1.00 0.00 N ATOM 584 CA VAL A 50 -5.343 -2.631 -3.121 1.00 0.00 C ATOM 585 C VAL A 50 -4.805 -2.710 -4.548 1.00 0.00 C ATOM 586 O VAL A 50 -3.598 -2.602 -4.775 1.00 0.00 O ATOM 587 CB VAL A 50 -5.661 -4.058 -2.616 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.440 -4.958 -2.714 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.174 -4.022 -1.185 1.00 0.00 C ATOM 0 H VAL A 50 -7.373 -2.242 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.584 -2.191 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.442 -4.470 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.693 -5.955 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.116 -5.020 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.634 -4.545 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.391 -5.036 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.416 -3.581 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.083 -3.423 -1.139 1.00 0.00 H new ATOM 599 N HIS A 51 -5.707 -2.881 -5.506 1.00 0.00 N ATOM 600 CA HIS A 51 -5.318 -3.021 -6.907 1.00 0.00 C ATOM 601 C HIS A 51 -4.670 -1.741 -7.434 1.00 0.00 C ATOM 602 O HIS A 51 -3.701 -1.795 -8.192 1.00 0.00 O ATOM 603 CB HIS A 51 -6.523 -3.410 -7.771 1.00 0.00 C ATOM 604 CG HIS A 51 -6.942 -4.845 -7.612 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.772 -5.492 -8.502 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.638 -5.760 -6.658 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.961 -6.737 -8.104 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.286 -6.923 -6.989 1.00 0.00 N ATOM 0 H HIS A 51 -6.712 -2.926 -5.341 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.579 -3.820 -6.967 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.364 -2.765 -7.517 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.283 -3.225 -8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.004 -5.602 -5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.566 -7.477 -8.607 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.251 -7.792 -6.457 1.00 0.00 H new ATOM 617 N PHE A 52 -5.194 -0.593 -7.021 1.00 0.00 N ATOM 618 CA PHE A 52 -4.632 0.685 -7.436 1.00 0.00 C ATOM 619 C PHE A 52 -3.217 0.848 -6.890 1.00 0.00 C ATOM 620 O PHE A 52 -2.296 1.207 -7.627 1.00 0.00 O ATOM 621 CB PHE A 52 -5.510 1.848 -6.963 1.00 0.00 C ATOM 622 CG PHE A 52 -5.002 3.198 -7.397 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.123 3.914 -6.600 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.404 3.747 -8.602 1.00 0.00 C ATOM 625 CE1 PHE A 52 -3.654 5.151 -6.996 1.00 0.00 C ATOM 626 CE2 PHE A 52 -4.939 4.985 -9.004 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.064 5.687 -8.200 1.00 0.00 C ATOM 0 H PHE A 52 -6.002 -0.521 -6.403 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.596 0.698 -8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.521 1.709 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.575 1.825 -5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.800 3.499 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.089 3.202 -9.235 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.968 5.697 -6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.260 5.403 -9.947 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.700 6.655 -8.513 1.00 0.00 H new ATOM 637 N LEU A 53 -3.054 0.573 -5.601 1.00 0.00 N ATOM 638 CA LEU A 53 -1.762 0.718 -4.941 1.00 0.00 C ATOM 639 C LEU A 53 -0.724 -0.215 -5.551 1.00 0.00 C ATOM 640 O LEU A 53 0.427 0.173 -5.757 1.00 0.00 O ATOM 641 CB LEU A 53 -1.898 0.446 -3.444 1.00 0.00 C ATOM 642 CG LEU A 53 -2.845 1.387 -2.697 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.891 1.032 -1.222 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.425 2.837 -2.887 1.00 0.00 C ATOM 0 H LEU A 53 -3.803 0.247 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.424 1.744 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.245 -0.578 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.910 0.512 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.846 1.267 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.569 1.711 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.245 0.008 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.892 1.122 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.112 3.489 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.415 2.977 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.447 3.086 -3.948 1.00 0.00 H new ATOM 656 N LYS A 54 -1.130 -1.440 -5.852 1.00 0.00 N ATOM 657 CA LYS A 54 -0.242 -2.392 -6.486 1.00 0.00 C ATOM 658 C LYS A 54 0.204 -1.872 -7.849 1.00 0.00 C ATOM 659 O LYS A 54 1.380 -1.959 -8.206 1.00 0.00 O ATOM 660 CB LYS A 54 -0.936 -3.745 -6.640 1.00 0.00 C ATOM 661 CG LYS A 54 -0.044 -4.802 -7.259 1.00 0.00 C ATOM 662 CD LYS A 54 1.160 -5.085 -6.379 1.00 0.00 C ATOM 663 CE LYS A 54 2.270 -5.739 -7.170 1.00 0.00 C ATOM 664 NZ LYS A 54 3.462 -6.012 -6.327 1.00 0.00 N ATOM 0 H LYS A 54 -2.068 -1.794 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 54 0.637 -2.520 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.271 -4.088 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.826 -3.622 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.613 -5.720 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.290 -4.470 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.521 -4.154 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.867 -5.733 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.908 -6.673 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.553 -5.093 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.266 -6.268 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.701 -5.162 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.255 -6.797 -5.677 1.00 0.00 H new ATOM 678 N SER A 55 -0.736 -1.304 -8.590 1.00 0.00 N ATOM 679 CA SER A 55 -0.452 -0.751 -9.901 1.00 0.00 C ATOM 680 C SER A 55 0.452 0.480 -9.796 1.00 0.00 C ATOM 681 O SER A 55 1.070 0.892 -10.777 1.00 0.00 O ATOM 682 CB SER A 55 -1.766 -0.398 -10.592 1.00 0.00 C ATOM 683 OG SER A 55 -2.623 -1.530 -10.664 1.00 0.00 O ATOM 0 H SER A 55 -1.710 -1.215 -8.300 1.00 0.00 H new ATOM 0 HA SER A 55 0.079 -1.496 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.263 0.405 -10.048 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.564 -0.025 -11.596 1.00 0.00 H new ATOM 0 HG SER A 55 -3.151 -1.594 -9.841 1.00 0.00 H new ATOM 689 N LYS A 56 0.536 1.053 -8.597 1.00 0.00 N ATOM 690 CA LYS A 56 1.408 2.190 -8.344 1.00 0.00 C ATOM 691 C LYS A 56 2.845 1.735 -8.111 1.00 0.00 C ATOM 692 O LYS A 56 3.746 2.554 -7.935 1.00 0.00 O ATOM 693 CB LYS A 56 0.903 2.985 -7.137 1.00 0.00 C ATOM 694 CG LYS A 56 -0.270 3.908 -7.447 1.00 0.00 C ATOM 695 CD LYS A 56 0.181 5.317 -7.832 1.00 0.00 C ATOM 696 CE LYS A 56 1.090 5.334 -9.055 1.00 0.00 C ATOM 697 NZ LYS A 56 0.417 4.810 -10.275 1.00 0.00 N ATOM 0 H LYS A 56 0.005 0.743 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 56 1.393 2.833 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.605 2.287 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.724 3.580 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.858 3.483 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.924 3.964 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.696 5.933 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.705 5.768 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.426 6.354 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.979 4.738 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.991 4.047 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.521 4.439 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.310 5.577 -10.969 1.00 0.00 H new ATOM 711 N GLY A 57 3.050 0.426 -8.100 1.00 0.00 N ATOM 712 CA GLY A 57 4.388 -0.111 -7.966 1.00 0.00 C ATOM 713 C GLY A 57 4.692 -0.592 -6.565 1.00 0.00 C ATOM 714 O GLY A 57 5.835 -0.934 -6.259 1.00 0.00 O ATOM 0 H GLY A 57 2.313 -0.274 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.513 -0.939 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.111 0.655 -8.247 1.00 0.00 H new ATOM 718 N LEU A 58 3.675 -0.623 -5.713 1.00 0.00 N ATOM 719 CA LEU A 58 3.853 -1.050 -4.333 1.00 0.00 C ATOM 720 C LEU A 58 4.009 -2.556 -4.224 1.00 0.00 C ATOM 721 O LEU A 58 3.586 -3.317 -5.102 1.00 0.00 O ATOM 722 CB LEU A 58 2.679 -0.613 -3.453 1.00 0.00 C ATOM 723 CG LEU A 58 2.769 0.797 -2.872 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.457 1.848 -3.927 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.840 0.934 -1.679 1.00 0.00 C ATOM 0 H LEU A 58 2.720 -0.358 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 58 4.767 -0.570 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.763 -0.685 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.586 -1.320 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 58 3.792 0.963 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.529 2.841 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.171 1.764 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.447 1.693 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.914 1.943 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.814 0.743 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.124 0.214 -0.912 1.00 0.00 H new ATOM 737 N SER A 59 4.625 -2.975 -3.138 1.00 0.00 N ATOM 738 CA SER A 59 4.720 -4.377 -2.802 1.00 0.00 C ATOM 739 C SER A 59 3.584 -4.736 -1.846 1.00 0.00 C ATOM 740 O SER A 59 3.004 -3.850 -1.214 1.00 0.00 O ATOM 741 CB SER A 59 6.076 -4.659 -2.161 1.00 0.00 C ATOM 742 OG SER A 59 7.121 -4.075 -2.923 1.00 0.00 O ATOM 0 H SER A 59 5.073 -2.353 -2.465 1.00 0.00 H new ATOM 0 HA SER A 59 4.633 -4.986 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.094 -4.262 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.232 -5.735 -2.085 1.00 0.00 H new ATOM 0 HG SER A 59 7.582 -3.400 -2.382 1.00 0.00 H new ATOM 748 N ALA A 60 3.269 -6.019 -1.738 1.00 0.00 N ATOM 749 CA ALA A 60 2.160 -6.469 -0.902 1.00 0.00 C ATOM 750 C ALA A 60 2.352 -6.046 0.553 1.00 0.00 C ATOM 751 O ALA A 60 1.398 -5.666 1.232 1.00 0.00 O ATOM 752 CB ALA A 60 2.003 -7.978 -1.007 1.00 0.00 C ATOM 0 H ALA A 60 3.765 -6.769 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 60 1.248 -5.994 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.173 -8.302 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.803 -8.252 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.921 -8.463 -0.674 1.00 0.00 H new ATOM 758 N GLU A 61 3.594 -6.092 1.016 1.00 0.00 N ATOM 759 CA GLU A 61 3.925 -5.707 2.386 1.00 0.00 C ATOM 760 C GLU A 61 3.795 -4.198 2.589 1.00 0.00 C ATOM 761 O GLU A 61 3.493 -3.731 3.688 1.00 0.00 O ATOM 762 CB GLU A 61 5.337 -6.174 2.731 1.00 0.00 C ATOM 763 CG GLU A 61 5.443 -7.680 2.907 1.00 0.00 C ATOM 764 CD GLU A 61 6.871 -8.168 2.989 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.515 -7.970 4.043 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.351 -8.769 2.002 1.00 0.00 O ATOM 0 H GLU A 61 4.395 -6.394 0.461 1.00 0.00 H new ATOM 0 HA GLU A 61 3.215 -6.191 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.020 -5.858 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.661 -5.684 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.913 -7.972 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.944 -8.173 2.073 1.00 0.00 H new ATOM 773 N GLU A 62 4.018 -3.441 1.527 1.00 0.00 N ATOM 774 CA GLU A 62 3.865 -1.992 1.573 1.00 0.00 C ATOM 775 C GLU A 62 2.392 -1.621 1.667 1.00 0.00 C ATOM 776 O GLU A 62 2.002 -0.764 2.460 1.00 0.00 O ATOM 777 CB GLU A 62 4.498 -1.355 0.340 1.00 0.00 C ATOM 778 CG GLU A 62 6.012 -1.472 0.319 1.00 0.00 C ATOM 779 CD GLU A 62 6.612 -1.077 -1.011 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.257 -0.007 -1.539 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.452 -1.840 -1.533 1.00 0.00 O ATOM 0 H GLU A 62 4.307 -3.805 0.619 1.00 0.00 H new ATOM 0 HA GLU A 62 4.375 -1.613 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.091 -1.826 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.220 -0.302 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.431 -0.842 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.296 -2.499 0.550 1.00 0.00 H new ATOM 788 N ILE A 63 1.578 -2.288 0.859 1.00 0.00 N ATOM 789 CA ILE A 63 0.133 -2.098 0.887 1.00 0.00 C ATOM 790 C ILE A 63 -0.423 -2.507 2.251 1.00 0.00 C ATOM 791 O ILE A 63 -1.273 -1.823 2.824 1.00 0.00 O ATOM 792 CB ILE A 63 -0.552 -2.933 -0.219 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.065 -2.614 -1.583 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.050 -2.668 -0.241 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.377 -3.550 -2.687 1.00 0.00 C ATOM 0 H ILE A 63 1.897 -2.970 0.171 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.075 -1.043 0.710 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.394 -3.989 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.196 -1.592 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.151 -2.654 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.514 -3.265 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.481 -2.938 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.230 -1.611 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.102 -3.261 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.092 -4.571 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.460 -3.493 -2.801 1.00 0.00 H new ATOM 807 N CYS A 64 0.089 -3.622 2.761 1.00 0.00 N ATOM 808 CA CYS A 64 -0.296 -4.140 4.069 1.00 0.00 C ATOM 809 C CYS A 64 -0.057 -3.099 5.161 1.00 0.00 C ATOM 810 O CYS A 64 -0.926 -2.858 6.008 1.00 0.00 O ATOM 811 CB CYS A 64 0.501 -5.414 4.365 1.00 0.00 C ATOM 812 SG CYS A 64 0.152 -6.168 5.968 1.00 0.00 S ATOM 0 H CYS A 64 0.783 -4.193 2.279 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.361 -4.372 4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.295 -6.145 3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.565 -5.181 4.312 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.066 -5.885 6.325 1.00 0.00 H new ATOM 818 N GLU A 65 1.114 -2.474 5.131 1.00 0.00 N ATOM 819 CA GLU A 65 1.454 -1.453 6.102 1.00 0.00 C ATOM 820 C GLU A 65 0.567 -0.227 5.926 1.00 0.00 C ATOM 821 O GLU A 65 -0.001 0.271 6.894 1.00 0.00 O ATOM 822 CB GLU A 65 2.928 -1.064 5.978 1.00 0.00 C ATOM 823 CG GLU A 65 3.281 0.189 6.756 1.00 0.00 C ATOM 824 CD GLU A 65 4.763 0.492 6.770 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.172 1.424 7.493 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.530 -0.212 6.080 1.00 0.00 O ATOM 0 H GLU A 65 1.842 -2.660 4.442 1.00 0.00 H new ATOM 0 HA GLU A 65 1.285 -1.861 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.546 -1.890 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.170 -0.911 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.749 1.037 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.930 0.081 7.782 1.00 0.00 H new ATOM 833 N ALA A 66 0.428 0.227 4.686 1.00 0.00 N ATOM 834 CA ALA A 66 -0.339 1.430 4.382 1.00 0.00 C ATOM 835 C ALA A 66 -1.773 1.320 4.878 1.00 0.00 C ATOM 836 O ALA A 66 -2.318 2.275 5.428 1.00 0.00 O ATOM 837 CB ALA A 66 -0.321 1.699 2.890 1.00 0.00 C ATOM 0 H ALA A 66 0.840 -0.224 3.869 1.00 0.00 H new ATOM 0 HA ALA A 66 0.130 2.264 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.897 2.599 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.708 1.839 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.761 0.853 2.362 1.00 0.00 H new ATOM 843 N PHE A 67 -2.379 0.156 4.685 1.00 0.00 N ATOM 844 CA PHE A 67 -3.720 -0.088 5.186 1.00 0.00 C ATOM 845 C PHE A 67 -3.758 0.023 6.703 1.00 0.00 C ATOM 846 O PHE A 67 -4.642 0.662 7.271 1.00 0.00 O ATOM 847 CB PHE A 67 -4.219 -1.462 4.743 1.00 0.00 C ATOM 848 CG PHE A 67 -5.074 -1.411 3.514 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.521 -1.556 2.254 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.437 -1.206 3.624 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.317 -1.501 1.126 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.237 -1.152 2.503 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.678 -1.298 1.252 1.00 0.00 C ATOM 0 H PHE A 67 -1.963 -0.630 4.186 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.380 0.672 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.362 -2.109 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.788 -1.914 5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.458 -1.714 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.881 -1.087 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.876 -1.617 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.301 -0.995 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.302 -1.254 0.372 1.00 0.00 H new ATOM 863 N THR A 68 -2.780 -0.577 7.359 1.00 0.00 N ATOM 864 CA THR A 68 -2.716 -0.540 8.809 1.00 0.00 C ATOM 865 C THR A 68 -2.500 0.894 9.294 1.00 0.00 C ATOM 866 O THR A 68 -3.019 1.301 10.336 1.00 0.00 O ATOM 867 CB THR A 68 -1.590 -1.449 9.335 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.676 -2.745 8.720 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.680 -1.597 10.846 1.00 0.00 C ATOM 0 H THR A 68 -2.022 -1.094 6.913 1.00 0.00 H new ATOM 0 HA THR A 68 -3.665 -0.909 9.198 1.00 0.00 H new ATOM 0 HB THR A 68 -0.634 -0.989 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.323 -2.698 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.875 -2.243 11.197 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.588 -0.617 11.314 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.641 -2.037 11.112 1.00 0.00 H new ATOM 877 N LYS A 69 -1.756 1.663 8.504 1.00 0.00 N ATOM 878 CA LYS A 69 -1.478 3.061 8.807 1.00 0.00 C ATOM 879 C LYS A 69 -2.758 3.892 8.823 1.00 0.00 C ATOM 880 O LYS A 69 -2.906 4.805 9.636 1.00 0.00 O ATOM 881 CB LYS A 69 -0.533 3.642 7.758 1.00 0.00 C ATOM 882 CG LYS A 69 0.854 3.025 7.751 1.00 0.00 C ATOM 883 CD LYS A 69 1.812 3.746 8.679 1.00 0.00 C ATOM 884 CE LYS A 69 2.070 5.171 8.220 1.00 0.00 C ATOM 885 NZ LYS A 69 3.135 5.830 9.019 1.00 0.00 N ATOM 0 H LYS A 69 -1.330 1.334 7.638 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.019 3.099 9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.980 3.512 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.439 4.715 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.785 1.978 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.252 3.044 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.402 3.757 9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.755 3.201 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.356 5.167 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.149 5.749 8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.279 6.800 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.852 5.858 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.021 5.294 8.925 1.00 0.00 H new ATOM 899 N VAL A 70 -3.685 3.568 7.929 1.00 0.00 N ATOM 900 CA VAL A 70 -4.897 4.365 7.772 1.00 0.00 C ATOM 901 C VAL A 70 -6.023 3.882 8.685 1.00 0.00 C ATOM 902 O VAL A 70 -7.138 4.409 8.644 1.00 0.00 O ATOM 903 CB VAL A 70 -5.393 4.383 6.307 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.295 4.887 5.386 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.875 3.008 5.865 1.00 0.00 C ATOM 0 H VAL A 70 -3.622 2.764 7.305 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.626 5.381 8.061 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.242 5.064 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.657 4.895 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.011 5.898 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.428 4.231 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.216 3.057 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.056 2.293 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.698 2.688 6.504 1.00 0.00 H new ATOM 915 N GLY A 71 -5.729 2.894 9.517 1.00 0.00 N ATOM 916 CA GLY A 71 -6.722 2.409 10.456 1.00 0.00 C ATOM 917 C GLY A 71 -7.450 1.178 9.960 1.00 0.00 C ATOM 918 O GLY A 71 -8.532 0.847 10.450 1.00 0.00 O ATOM 0 H GLY A 71 -4.826 2.421 9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.236 2.180 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.447 3.199 10.651 1.00 0.00 H new ATOM 922 N GLN A 72 -6.869 0.503 8.983 1.00 0.00 N ATOM 923 CA GLN A 72 -7.450 -0.717 8.448 1.00 0.00 C ATOM 924 C GLN A 72 -6.411 -1.835 8.484 1.00 0.00 C ATOM 925 O GLN A 72 -5.652 -2.018 7.537 1.00 0.00 O ATOM 926 CB GLN A 72 -7.916 -0.469 7.009 1.00 0.00 C ATOM 927 CG GLN A 72 -8.646 -1.638 6.368 1.00 0.00 C ATOM 928 CD GLN A 72 -10.020 -1.862 6.956 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.192 -2.638 7.898 1.00 0.00 O ATOM 930 NE2 GLN A 72 -11.006 -1.167 6.414 1.00 0.00 N ATOM 0 H GLN A 72 -5.992 0.780 8.542 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.307 -1.014 9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.572 0.401 6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.048 -0.221 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.739 -1.460 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.051 -2.543 6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.817 -0.536 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.955 -1.262 6.775 1.00 0.00 H new ATOM 939 N PRO A 73 -6.362 -2.604 9.576 1.00 0.00 N ATOM 940 CA PRO A 73 -5.345 -3.639 9.748 1.00 0.00 C ATOM 941 C PRO A 73 -5.563 -4.839 8.835 1.00 0.00 C ATOM 942 O PRO A 73 -6.407 -5.702 9.091 1.00 0.00 O ATOM 943 CB PRO A 73 -5.472 -4.037 11.215 1.00 0.00 C ATOM 944 CG PRO A 73 -6.865 -3.674 11.602 1.00 0.00 C ATOM 945 CD PRO A 73 -7.272 -2.517 10.729 1.00 0.00 C ATOM 0 HA PRO A 73 -4.353 -3.273 9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.291 -5.103 11.350 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.743 -3.510 11.830 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.538 -4.520 11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.914 -3.399 12.656 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.315 -2.596 10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.165 -1.566 11.251 1.00 0.00 H new ATOM 953 N LYS A 74 -4.808 -4.863 7.752 1.00 0.00 N ATOM 954 CA LYS A 74 -4.834 -5.966 6.810 1.00 0.00 C ATOM 955 C LYS A 74 -3.554 -6.772 6.920 1.00 0.00 C ATOM 956 O LYS A 74 -2.490 -6.222 7.203 1.00 0.00 O ATOM 957 CB LYS A 74 -4.993 -5.450 5.376 1.00 0.00 C ATOM 958 CG LYS A 74 -6.399 -4.988 5.037 1.00 0.00 C ATOM 959 CD LYS A 74 -7.386 -6.143 5.089 1.00 0.00 C ATOM 960 CE LYS A 74 -8.752 -5.735 4.569 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.719 -6.864 4.612 1.00 0.00 N ATOM 0 H LYS A 74 -4.159 -4.117 7.501 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.686 -6.602 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.302 -4.621 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.704 -6.240 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.708 -4.211 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.408 -4.543 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.005 -6.975 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.478 -6.498 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.135 -4.906 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.658 -5.375 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.630 -6.556 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.350 -7.659 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.854 -7.168 5.597 1.00 0.00 H new ATOM 975 N THR A 75 -3.664 -8.071 6.709 1.00 0.00 N ATOM 976 CA THR A 75 -2.511 -8.948 6.734 1.00 0.00 C ATOM 977 C THR A 75 -1.886 -9.049 5.352 1.00 0.00 C ATOM 978 O THR A 75 -2.496 -8.656 4.350 1.00 0.00 O ATOM 979 CB THR A 75 -2.902 -10.359 7.208 1.00 0.00 C ATOM 980 OG1 THR A 75 -3.988 -10.852 6.413 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.301 -10.352 8.674 1.00 0.00 C ATOM 0 H THR A 75 -4.548 -8.543 6.517 1.00 0.00 H new ATOM 0 HA THR A 75 -1.790 -8.522 7.432 1.00 0.00 H new ATOM 0 HB THR A 75 -2.036 -11.011 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.233 -11.751 6.716 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.572 -11.362 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.464 -10.001 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.154 -9.688 8.816 1.00 0.00 H new ATOM 989 N LEU A 76 -0.675 -9.577 5.301 1.00 0.00 N ATOM 990 CA LEU A 76 -0.004 -9.833 4.042 1.00 0.00 C ATOM 991 C LEU A 76 -0.791 -10.866 3.244 1.00 0.00 C ATOM 992 O LEU A 76 -0.882 -10.793 2.017 1.00 0.00 O ATOM 993 CB LEU A 76 1.422 -10.326 4.303 1.00 0.00 C ATOM 994 CG LEU A 76 2.245 -10.660 3.057 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.393 -9.435 2.171 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.611 -11.202 3.452 1.00 0.00 C ATOM 0 H LEU A 76 -0.134 -9.838 6.125 1.00 0.00 H new ATOM 0 HA LEU A 76 0.050 -8.910 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.952 -9.563 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.370 -11.215 4.931 1.00 0.00 H new ATOM 0 HG LEU A 76 1.719 -11.430 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.981 -9.692 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.407 -9.089 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.897 -8.644 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.184 -11.435 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.144 -10.453 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.485 -12.107 4.047 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.383 -11.812 3.965 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.198 -12.853 3.354 1.00 0.00 C ATOM 1010 C ASN A 77 -3.427 -12.248 2.684 1.00 0.00 C ATOM 1011 O ASN A 77 -3.815 -12.666 1.589 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.626 -13.878 4.406 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.250 -15.118 3.790 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -2.553 -16.068 3.437 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.565 -15.122 3.660 1.00 0.00 N ATOM 0 H ASN A 77 -1.312 -11.878 4.980 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.599 -13.355 2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.759 -14.168 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.340 -13.417 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.035 -15.932 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.110 -14.315 3.964 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.033 -11.260 3.345 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.171 -10.538 2.777 1.00 0.00 C ATOM 1024 C GLU A 78 -4.800 -9.925 1.436 1.00 0.00 C ATOM 1025 O GLU A 78 -5.504 -10.110 0.445 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.640 -9.423 3.718 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.661 -9.861 4.754 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.994 -10.231 4.137 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.227 -11.431 3.887 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.819 -9.323 3.896 1.00 0.00 O ATOM 0 H GLU A 78 -3.754 -10.942 4.273 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.979 -11.257 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.772 -9.011 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.069 -8.618 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.270 -10.716 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.809 -9.057 5.475 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.671 -9.230 1.410 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.228 -8.530 0.212 1.00 0.00 C ATOM 1039 C ILE A 79 -2.959 -9.516 -0.922 1.00 0.00 C ATOM 1040 O ILE A 79 -3.396 -9.303 -2.055 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.961 -7.689 0.483 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.181 -6.752 1.678 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.574 -6.891 -0.754 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.347 -5.799 1.508 1.00 0.00 C ATOM 0 H ILE A 79 -3.043 -9.136 2.208 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.031 -7.855 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.144 -8.369 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.344 -7.353 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.273 -6.173 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.679 -6.305 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.375 -7.574 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.391 -6.222 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.436 -5.171 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.179 -5.170 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.266 -6.369 1.373 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.264 -10.606 -0.605 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.967 -11.646 -1.589 1.00 0.00 C ATOM 1058 C LYS A 80 -3.242 -12.204 -2.200 1.00 0.00 C ATOM 1059 O LYS A 80 -3.322 -12.434 -3.406 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.179 -12.787 -0.950 1.00 0.00 C ATOM 1061 CG LYS A 80 0.234 -12.410 -0.565 1.00 0.00 C ATOM 1062 CD LYS A 80 1.014 -13.624 -0.096 1.00 0.00 C ATOM 1063 CE LYS A 80 2.474 -13.295 0.155 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.235 -14.489 0.604 1.00 0.00 N ATOM 0 H LYS A 80 -1.895 -10.793 0.327 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.368 -11.186 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.709 -13.129 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.145 -13.627 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.738 -11.957 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.211 -11.661 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.567 -14.012 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.943 -14.413 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.921 -12.900 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.546 -12.512 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.228 -14.227 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.824 -14.850 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.186 -15.227 -0.127 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.232 -12.428 -1.358 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.514 -12.948 -1.812 1.00 0.00 C ATOM 1080 C ARG A 81 -6.227 -11.931 -2.700 1.00 0.00 C ATOM 1081 O ARG A 81 -6.693 -12.265 -3.787 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.394 -13.315 -0.615 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.743 -13.920 -0.988 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.595 -15.249 -1.723 1.00 0.00 C ATOM 1085 NE ARG A 81 -7.362 -15.065 -3.157 1.00 0.00 N ATOM 1086 CZ ARG A 81 -6.544 -15.822 -3.892 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -5.847 -16.801 -3.327 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -6.422 -15.591 -5.196 1.00 0.00 N ATOM 0 H ARG A 81 -4.176 -12.259 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.329 -13.847 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.854 -14.022 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.564 -12.420 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.334 -14.070 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.293 -13.219 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.767 -15.811 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.495 -15.846 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.858 -14.307 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.935 -16.978 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.224 -17.376 -3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.953 -14.837 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.798 -16.168 -5.760 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.286 -10.689 -2.240 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.974 -9.626 -2.969 1.00 0.00 C ATOM 1104 C ILE A 82 -6.324 -9.377 -4.335 1.00 0.00 C ATOM 1105 O ILE A 82 -7.008 -9.088 -5.320 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.988 -8.313 -2.156 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.707 -8.526 -0.820 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.661 -7.198 -2.947 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.589 -7.356 0.136 1.00 0.00 C ATOM 0 H ILE A 82 -5.864 -10.389 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.001 -9.956 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.957 -8.019 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.762 -8.719 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.303 -9.417 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.661 -6.282 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.116 -7.031 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.688 -7.482 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.124 -7.584 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.538 -7.175 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.020 -6.466 -0.323 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.003 -9.493 -4.395 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.283 -9.306 -5.650 1.00 0.00 C ATOM 1123 C LEU A 83 -4.398 -10.540 -6.537 1.00 0.00 C ATOM 1124 O LEU A 83 -4.311 -10.434 -7.759 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.810 -8.994 -5.381 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.541 -7.629 -4.750 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.061 -7.472 -4.441 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.015 -6.517 -5.673 1.00 0.00 C ATOM 0 H LEU A 83 -4.411 -9.714 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.736 -8.463 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.405 -9.766 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.264 -9.056 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.097 -7.561 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.885 -6.495 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.750 -8.252 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.486 -7.557 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.817 -5.550 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.483 -6.581 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.086 -6.622 -5.849 1.00 0.00 H new ATOM 1140 N SER A 84 -4.613 -11.693 -5.906 1.00 0.00 N ATOM 1141 CA SER A 84 -4.759 -12.965 -6.603 1.00 0.00 C ATOM 1142 C SER A 84 -3.634 -13.205 -7.617 1.00 0.00 C ATOM 1143 O SER A 84 -3.819 -12.912 -8.817 1.00 0.00 O ATOM 1144 CB SER A 84 -6.125 -13.024 -7.275 1.00 0.00 C ATOM 1145 OG SER A 84 -7.161 -13.065 -6.303 1.00 0.00 O ATOM 1146 OXT SER A 84 -2.560 -13.688 -7.204 1.00 0.00 O ATOM 0 H SER A 84 -4.691 -11.769 -4.892 1.00 0.00 H new ATOM 0 HA SER A 84 -4.685 -13.765 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.257 -12.154 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.184 -13.905 -7.914 1.00 0.00 H new ATOM 0 HG SER A 84 -6.779 -12.927 -5.411 1.00 0.00 H new TER 1152 SER A 84