USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -4.17! C(o=-4.2!,f=-7.9!) USER MOD Set 2.1: A 5 ASN :FLIP amide:sc= -2.93! C(o=-4.5!,f=-3.3!) USER MOD Set 2.2: A 13 THR OG1 : rot -160:sc= -0.126 USER MOD Set 2.3: A 15 LYS NZ :NH3+ -125:sc= -0.198 (180deg=0) USER MOD Set 3.1: A 4 HIS : no HE2:sc= -3.92! C(o=-7.5!,f=-11!) USER MOD Set 3.2: A 6 GLN : amide:sc= -3.62! C(o=-7.5!,f=-8.5!) USER MOD Single : A 1 LEU N :NH3+ 139:sc= 0.0257 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -2 K(o=-2,f=-4!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.18 F(o=-1.3,f=-0.18) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 18 SER OG : rot 180:sc=0.000636 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.19 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= -0.539 (180deg=-3.34!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=-0.022) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -0.548 (180deg=-2.19!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc=-0.00369 X(o=-0.0037,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.66! USER MOD Single : A 60 ASN : amide:sc= -2.94! C(o=-2.9!,f=-20!) USER MOD Single : A 61 ASN : amide:sc= -1.3! C(o=-1.3!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.205 -15.262 2.104 1.00 0.00 N ATOM 2 CA LEU A 1 -5.826 -14.257 1.125 1.00 0.00 C ATOM 3 C LEU A 1 -4.652 -13.440 1.668 1.00 0.00 C ATOM 4 O LEU A 1 -4.645 -13.057 2.837 1.00 0.00 O ATOM 5 CB LEU A 1 -7.037 -13.407 0.733 1.00 0.00 C ATOM 6 CG LEU A 1 -6.745 -12.188 -0.144 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.580 -12.594 -1.610 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.818 -11.113 0.036 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.242 -15.326 2.152 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.813 -16.184 1.824 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.831 -14.996 3.037 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.487 -14.731 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.749 -14.045 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.526 -13.065 1.645 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.798 -11.754 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.373 -11.709 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.752 -13.297 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.497 -13.066 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.586 -10.258 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.790 -11.519 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.843 -10.795 1.078 1.00 0.00 H new ATOM 22 N GLU A 2 -3.686 -13.199 0.794 1.00 0.00 N ATOM 23 CA GLU A 2 -2.509 -12.435 1.171 1.00 0.00 C ATOM 24 C GLU A 2 -2.507 -11.079 0.463 1.00 0.00 C ATOM 25 O GLU A 2 -2.959 -10.968 -0.676 1.00 0.00 O ATOM 26 CB GLU A 2 -1.228 -13.215 0.866 1.00 0.00 C ATOM 27 CG GLU A 2 -1.349 -14.669 1.326 1.00 0.00 C ATOM 28 CD GLU A 2 0.026 -15.334 1.407 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.477 -15.835 0.354 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.595 -15.327 2.520 1.00 0.00 O ATOM 0 H GLU A 2 -3.694 -13.519 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.542 -12.261 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.025 -13.184 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.382 -12.741 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.833 -14.706 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.984 -15.222 0.634 1.00 0.00 H new ATOM 37 N CYS A 3 -1.993 -10.080 1.166 1.00 0.00 N ATOM 38 CA CYS A 3 -1.926 -8.736 0.619 1.00 0.00 C ATOM 39 C CYS A 3 -0.561 -8.142 0.970 1.00 0.00 C ATOM 40 O CYS A 3 -0.082 -8.298 2.092 1.00 0.00 O ATOM 41 CB CYS A 3 -3.076 -7.862 1.124 1.00 0.00 C ATOM 42 SG CYS A 3 -4.719 -8.666 1.099 1.00 0.00 S ATOM 0 H CYS A 3 -1.619 -10.175 2.110 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.036 -8.776 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.855 -7.550 2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.120 -6.958 0.517 1.00 0.00 H new ATOM 47 N HIS A 4 0.028 -7.472 -0.011 1.00 0.00 N ATOM 48 CA HIS A 4 1.328 -6.854 0.181 1.00 0.00 C ATOM 49 C HIS A 4 1.231 -5.780 1.266 1.00 0.00 C ATOM 50 O HIS A 4 0.251 -5.040 1.327 1.00 0.00 O ATOM 51 CB HIS A 4 1.872 -6.311 -1.143 1.00 0.00 C ATOM 52 CG HIS A 4 2.573 -7.347 -1.989 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.928 -7.608 -1.886 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.092 -8.183 -2.954 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.238 -8.560 -2.754 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.099 -8.915 -3.415 1.00 0.00 N ATOM 0 H HIS A 4 -0.372 -7.344 -0.941 1.00 0.00 H new ATOM 0 HA HIS A 4 2.043 -7.602 0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.048 -5.886 -1.716 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.567 -5.498 -0.933 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.578 -7.146 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.066 -8.240 -3.286 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.220 -8.981 -2.911 1.00 0.00 H new ATOM 65 N ASN A 5 2.262 -5.730 2.097 1.00 0.00 N ATOM 66 CA ASN A 5 2.306 -4.759 3.178 1.00 0.00 C ATOM 67 C ASN A 5 3.555 -3.889 3.026 1.00 0.00 C ATOM 68 O ASN A 5 3.889 -3.115 3.921 1.00 0.00 O ATOM 69 CB ASN A 5 2.376 -5.454 4.539 1.00 0.00 C ATOM 70 CG ASN A 5 3.804 -5.902 4.853 1.00 0.00 C ATOM 71 OD1 ASN A 5 3.934 -7.215 5.020 1.00 0.00 O flip ATOM 72 ND2 ASN A 5 4.727 -5.109 4.938 1.00 0.00 N flip ATOM 0 H ASN A 5 3.073 -6.346 2.044 1.00 0.00 H new ATOM 0 HA ASN A 5 1.399 -4.156 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.025 -4.775 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.711 -6.317 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.558 -4.113 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.668 -5.442 5.149 1.00 0.00 H new ATOM 79 N GLN A 6 4.211 -4.046 1.886 1.00 0.00 N ATOM 80 CA GLN A 6 5.416 -3.284 1.605 1.00 0.00 C ATOM 81 C GLN A 6 5.082 -1.799 1.454 1.00 0.00 C ATOM 82 O GLN A 6 4.055 -1.446 0.875 1.00 0.00 O ATOM 83 CB GLN A 6 6.124 -3.817 0.358 1.00 0.00 C ATOM 84 CG GLN A 6 5.112 -4.216 -0.718 1.00 0.00 C ATOM 85 CD GLN A 6 5.687 -4.000 -2.119 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.122 -2.919 -2.480 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.666 -5.087 -2.886 1.00 0.00 N ATOM 0 H GLN A 6 3.931 -4.690 1.146 1.00 0.00 H new ATOM 0 HA GLN A 6 6.099 -3.399 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.798 -3.056 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.737 -4.678 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.836 -5.263 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.201 -3.629 -0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.287 -5.961 -2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.028 -5.046 -3.839 1.00 0.00 H new ATOM 96 N GLN A 7 5.968 -0.969 1.983 1.00 0.00 N ATOM 97 CA GLN A 7 5.780 0.471 1.914 1.00 0.00 C ATOM 98 C GLN A 7 6.741 1.083 0.893 1.00 0.00 C ATOM 99 O GLN A 7 7.780 0.501 0.586 1.00 0.00 O ATOM 100 CB GLN A 7 5.960 1.114 3.290 1.00 0.00 C ATOM 101 CG GLN A 7 4.980 0.522 4.305 1.00 0.00 C ATOM 102 CD GLN A 7 5.544 -0.755 4.932 1.00 0.00 C ATOM 103 OE1 GLN A 7 6.685 -1.131 4.717 1.00 0.00 O ATOM 104 NE2 GLN A 7 4.684 -1.397 5.717 1.00 0.00 N ATOM 0 H GLN A 7 6.819 -1.266 2.462 1.00 0.00 H new ATOM 0 HA GLN A 7 4.759 0.669 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.983 0.962 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.806 2.190 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.773 1.254 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.032 0.302 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.744 -1.027 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.965 -2.260 6.183 1.00 0.00 H new ATOM 113 N SER A 8 6.360 2.250 0.395 1.00 0.00 N ATOM 114 CA SER A 8 7.175 2.947 -0.586 1.00 0.00 C ATOM 115 C SER A 8 7.841 1.940 -1.524 1.00 0.00 C ATOM 116 O SER A 8 7.188 1.023 -2.021 1.00 0.00 O ATOM 117 CB SER A 8 8.232 3.817 0.096 1.00 0.00 C ATOM 118 OG SER A 8 7.686 4.578 1.170 1.00 0.00 O ATOM 0 H SER A 8 5.498 2.731 0.652 1.00 0.00 H new ATOM 0 HA SER A 8 6.525 3.601 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.035 3.183 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.675 4.491 -0.637 1.00 0.00 H new ATOM 0 HG SER A 8 8.393 5.119 1.580 1.00 0.00 H new ATOM 124 N SER A 9 9.132 2.144 -1.739 1.00 0.00 N ATOM 125 CA SER A 9 9.894 1.264 -2.610 1.00 0.00 C ATOM 126 C SER A 9 10.515 0.129 -1.793 1.00 0.00 C ATOM 127 O SER A 9 11.182 -0.744 -2.345 1.00 0.00 O ATOM 128 CB SER A 9 10.983 2.037 -3.357 1.00 0.00 C ATOM 129 OG SER A 9 10.439 2.891 -4.359 1.00 0.00 O ATOM 0 H SER A 9 9.670 2.905 -1.325 1.00 0.00 H new ATOM 0 HA SER A 9 9.214 0.841 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.558 2.632 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.676 1.333 -3.818 1.00 0.00 H new ATOM 0 HG SER A 9 11.165 3.368 -4.812 1.00 0.00 H new ATOM 135 N GLN A 10 10.272 0.178 -0.492 1.00 0.00 N ATOM 136 CA GLN A 10 10.799 -0.836 0.406 1.00 0.00 C ATOM 137 C GLN A 10 10.603 -2.230 -0.194 1.00 0.00 C ATOM 138 O GLN A 10 9.886 -2.390 -1.180 1.00 0.00 O ATOM 139 CB GLN A 10 10.148 -0.737 1.787 1.00 0.00 C ATOM 140 CG GLN A 10 10.153 0.707 2.293 1.00 0.00 C ATOM 141 CD GLN A 10 11.528 1.350 2.102 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.593 2.192 1.074 1.00 0.00 O flip ATOM 143 NE2 GLN A 10 12.467 1.099 2.839 1.00 0.00 N flip ATOM 0 H GLN A 10 9.717 0.904 -0.038 1.00 0.00 H new ATOM 0 HA GLN A 10 11.868 -0.663 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.123 -1.105 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.682 -1.375 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.400 1.286 1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.882 0.727 3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.348 0.442 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.371 1.546 2.684 1.00 0.00 H new ATOM 152 N PRO A 11 11.252 -3.203 0.428 1.00 0.00 N ATOM 153 CA PRO A 11 11.210 -4.611 0.028 1.00 0.00 C ATOM 154 C PRO A 11 9.767 -5.118 0.060 1.00 0.00 C ATOM 155 O PRO A 11 9.070 -4.948 1.059 1.00 0.00 O ATOM 156 CB PRO A 11 12.035 -5.319 1.105 1.00 0.00 C ATOM 157 CG PRO A 11 12.948 -4.244 1.620 1.00 0.00 C ATOM 158 CD PRO A 11 12.104 -3.001 1.602 1.00 0.00 C ATOM 0 HA PRO A 11 11.589 -4.780 -0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.401 -5.719 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.597 -6.157 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.302 -4.470 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.830 -4.135 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.517 -2.898 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.712 -2.101 1.510 1.00 0.00 H new ATOM 166 N PRO A 12 9.362 -5.729 -1.043 1.00 0.00 N ATOM 167 CA PRO A 12 8.023 -6.291 -1.232 1.00 0.00 C ATOM 168 C PRO A 12 7.747 -7.348 -0.161 1.00 0.00 C ATOM 169 O PRO A 12 8.521 -8.290 -0.001 1.00 0.00 O ATOM 170 CB PRO A 12 8.099 -6.953 -2.609 1.00 0.00 C ATOM 171 CG PRO A 12 9.194 -6.202 -3.308 1.00 0.00 C ATOM 172 CD PRO A 12 10.201 -5.925 -2.228 1.00 0.00 C ATOM 0 HA PRO A 12 7.232 -5.544 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.330 -8.015 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.153 -6.872 -3.145 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.628 -6.792 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.822 -5.278 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.895 -6.756 -2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.800 -5.042 -2.450 1.00 0.00 H new ATOM 180 N THR A 13 6.642 -7.157 0.545 1.00 0.00 N ATOM 181 CA THR A 13 6.256 -8.082 1.596 1.00 0.00 C ATOM 182 C THR A 13 4.779 -8.458 1.460 1.00 0.00 C ATOM 183 O THR A 13 4.074 -7.918 0.609 1.00 0.00 O ATOM 184 CB THR A 13 6.597 -7.439 2.942 1.00 0.00 C ATOM 185 OG1 THR A 13 6.283 -6.061 2.757 1.00 0.00 O ATOM 186 CG2 THR A 13 8.100 -7.443 3.229 1.00 0.00 C ATOM 0 H THR A 13 6.002 -6.375 0.409 1.00 0.00 H new ATOM 0 HA THR A 13 6.807 -9.019 1.518 1.00 0.00 H new ATOM 0 HB THR A 13 6.074 -7.967 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.752 -5.525 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.287 -6.975 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.464 -8.470 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.621 -6.886 2.450 1.00 0.00 H new ATOM 194 N THR A 14 4.356 -9.382 2.310 1.00 0.00 N ATOM 195 CA THR A 14 2.976 -9.837 2.295 1.00 0.00 C ATOM 196 C THR A 14 2.505 -10.158 3.714 1.00 0.00 C ATOM 197 O THR A 14 3.318 -10.434 4.595 1.00 0.00 O ATOM 198 CB THR A 14 2.881 -11.028 1.339 1.00 0.00 C ATOM 199 OG1 THR A 14 4.089 -11.749 1.562 1.00 0.00 O ATOM 200 CG2 THR A 14 2.964 -10.607 -0.130 1.00 0.00 C ATOM 0 H THR A 14 4.945 -9.828 3.014 1.00 0.00 H new ATOM 0 HA THR A 14 2.306 -9.057 1.933 1.00 0.00 H new ATOM 0 HB THR A 14 1.945 -11.559 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.186 -12.444 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.892 -11.489 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.145 -9.926 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.915 -10.106 -0.312 1.00 0.00 H new ATOM 208 N LYS A 15 1.193 -10.111 3.893 1.00 0.00 N ATOM 209 CA LYS A 15 0.603 -10.394 5.190 1.00 0.00 C ATOM 210 C LYS A 15 -0.758 -11.063 4.992 1.00 0.00 C ATOM 211 O LYS A 15 -1.447 -10.798 4.008 1.00 0.00 O ATOM 212 CB LYS A 15 0.547 -9.124 6.041 1.00 0.00 C ATOM 213 CG LYS A 15 1.817 -8.969 6.881 1.00 0.00 C ATOM 214 CD LYS A 15 1.911 -7.564 7.479 1.00 0.00 C ATOM 215 CE LYS A 15 3.314 -7.294 8.026 1.00 0.00 C ATOM 216 NZ LYS A 15 3.619 -5.847 7.980 1.00 0.00 N ATOM 0 H LYS A 15 0.522 -9.881 3.160 1.00 0.00 H new ATOM 0 HA LYS A 15 1.224 -11.096 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.426 -8.254 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.324 -9.159 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.821 -9.709 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.693 -9.164 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.665 -6.824 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.178 -7.455 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.386 -7.654 9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.051 -7.846 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.502 -5.695 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.842 -5.343 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.727 -5.484 8.949 1.00 0.00 H new ATOM 230 N THR A 16 -1.106 -11.917 5.944 1.00 0.00 N ATOM 231 CA THR A 16 -2.374 -12.625 5.886 1.00 0.00 C ATOM 232 C THR A 16 -3.519 -11.704 6.311 1.00 0.00 C ATOM 233 O THR A 16 -3.465 -11.090 7.375 1.00 0.00 O ATOM 234 CB THR A 16 -2.252 -13.882 6.751 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.951 -14.382 6.455 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.194 -14.999 6.295 1.00 0.00 C ATOM 0 H THR A 16 -0.533 -12.134 6.759 1.00 0.00 H new ATOM 0 HA THR A 16 -2.609 -12.934 4.868 1.00 0.00 H new ATOM 0 HB THR A 16 -2.464 -13.630 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.788 -15.197 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.068 -15.868 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.225 -14.651 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.960 -15.275 5.267 1.00 0.00 H new ATOM 244 N CYS A 17 -4.530 -11.638 5.456 1.00 0.00 N ATOM 245 CA CYS A 17 -5.687 -10.802 5.729 1.00 0.00 C ATOM 246 C CYS A 17 -6.615 -11.562 6.680 1.00 0.00 C ATOM 247 O CYS A 17 -7.061 -12.665 6.367 1.00 0.00 O ATOM 248 CB CYS A 17 -6.403 -10.389 4.442 1.00 0.00 C ATOM 249 SG CYS A 17 -5.294 -9.971 3.047 1.00 0.00 S ATOM 0 H CYS A 17 -4.572 -12.150 4.575 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.365 -9.874 6.201 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.062 -11.200 4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.036 -9.528 4.655 1.00 0.00 H new ATOM 254 N SER A 18 -6.877 -10.941 7.820 1.00 0.00 N ATOM 255 CA SER A 18 -7.744 -11.545 8.818 1.00 0.00 C ATOM 256 C SER A 18 -9.128 -10.894 8.772 1.00 0.00 C ATOM 257 O SER A 18 -9.265 -9.701 9.036 1.00 0.00 O ATOM 258 CB SER A 18 -7.143 -11.417 10.220 1.00 0.00 C ATOM 259 OG SER A 18 -6.515 -10.153 10.417 1.00 0.00 O ATOM 0 H SER A 18 -6.505 -10.026 8.075 1.00 0.00 H new ATOM 0 HA SER A 18 -7.841 -12.606 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.927 -11.552 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.414 -12.212 10.376 1.00 0.00 H new ATOM 0 HG SER A 18 -6.145 -10.109 11.324 1.00 0.00 H new ATOM 265 N GLY A 19 -10.118 -11.708 8.435 1.00 0.00 N ATOM 266 CA GLY A 19 -11.486 -11.226 8.352 1.00 0.00 C ATOM 267 C GLY A 19 -11.719 -10.459 7.048 1.00 0.00 C ATOM 268 O GLY A 19 -12.857 -10.152 6.699 1.00 0.00 O ATOM 0 H GLY A 19 -10.000 -12.697 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.176 -12.068 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.699 -10.578 9.202 1.00 0.00 H new ATOM 272 N GLU A 20 -10.621 -10.170 6.365 1.00 0.00 N ATOM 273 CA GLU A 20 -10.690 -9.444 5.108 1.00 0.00 C ATOM 274 C GLU A 20 -10.494 -10.402 3.931 1.00 0.00 C ATOM 275 O GLU A 20 -9.902 -11.469 4.086 1.00 0.00 O ATOM 276 CB GLU A 20 -9.662 -8.312 5.071 1.00 0.00 C ATOM 277 CG GLU A 20 -9.569 -7.611 6.428 1.00 0.00 C ATOM 278 CD GLU A 20 -8.316 -6.737 6.509 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.213 -7.324 6.516 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.490 -5.500 6.562 1.00 0.00 O ATOM 0 H GLU A 20 -9.678 -10.426 6.658 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.679 -8.994 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.686 -8.711 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.939 -7.590 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.456 -6.997 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.550 -8.354 7.225 1.00 0.00 H new ATOM 287 N THR A 21 -11.002 -9.985 2.780 1.00 0.00 N ATOM 288 CA THR A 21 -10.890 -10.793 1.577 1.00 0.00 C ATOM 289 C THR A 21 -10.486 -9.922 0.386 1.00 0.00 C ATOM 290 O THR A 21 -10.617 -10.338 -0.764 1.00 0.00 O ATOM 291 CB THR A 21 -12.218 -11.524 1.373 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.205 -10.543 1.681 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.448 -12.623 2.413 1.00 0.00 C ATOM 0 H THR A 21 -11.492 -9.099 2.655 1.00 0.00 H new ATOM 0 HA THR A 21 -10.103 -11.541 1.674 1.00 0.00 H new ATOM 0 HB THR A 21 -12.243 -11.959 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.098 -10.932 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.404 -13.110 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.647 -13.359 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.457 -12.184 3.411 1.00 0.00 H new ATOM 301 N ASN A 22 -10.005 -8.728 0.703 1.00 0.00 N ATOM 302 CA ASN A 22 -9.581 -7.795 -0.327 1.00 0.00 C ATOM 303 C ASN A 22 -8.237 -7.181 0.069 1.00 0.00 C ATOM 304 O ASN A 22 -7.904 -7.117 1.251 1.00 0.00 O ATOM 305 CB ASN A 22 -10.592 -6.658 -0.489 1.00 0.00 C ATOM 306 CG ASN A 22 -11.967 -7.198 -0.886 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.321 -7.269 -2.052 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.719 -7.573 0.144 1.00 0.00 N ATOM 0 H ASN A 22 -9.900 -8.386 1.658 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.500 -8.342 -1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.672 -6.102 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.239 -5.959 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.654 -7.947 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.361 -7.487 1.095 1.00 0.00 H new ATOM 315 N CYS A 23 -7.502 -6.744 -0.943 1.00 0.00 N ATOM 316 CA CYS A 23 -6.201 -6.137 -0.716 1.00 0.00 C ATOM 317 C CYS A 23 -6.256 -4.687 -1.202 1.00 0.00 C ATOM 318 O CYS A 23 -6.814 -4.405 -2.261 1.00 0.00 O ATOM 319 CB CYS A 23 -5.082 -6.926 -1.397 1.00 0.00 C ATOM 320 SG CYS A 23 -5.036 -8.707 -0.983 1.00 0.00 S ATOM 0 H CYS A 23 -7.782 -6.798 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.970 -6.153 0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.188 -6.821 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.125 -6.480 -1.126 1.00 0.00 H new ATOM 325 N TYR A 24 -5.669 -3.806 -0.405 1.00 0.00 N ATOM 326 CA TYR A 24 -5.644 -2.393 -0.741 1.00 0.00 C ATOM 327 C TYR A 24 -4.209 -1.902 -0.939 1.00 0.00 C ATOM 328 O TYR A 24 -3.273 -2.461 -0.368 1.00 0.00 O ATOM 329 CB TYR A 24 -6.259 -1.664 0.455 1.00 0.00 C ATOM 330 CG TYR A 24 -5.293 -1.460 1.623 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.483 -0.343 1.661 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.231 -2.392 2.639 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.573 -0.151 2.761 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.322 -2.199 3.739 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.537 -1.088 3.746 1.00 0.00 C ATOM 336 OH TYR A 24 -2.678 -0.906 4.784 1.00 0.00 O ATOM 0 H TYR A 24 -5.207 -4.044 0.473 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.188 -2.209 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.625 -0.692 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.123 -2.228 0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.531 0.387 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.864 -3.266 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.933 0.718 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.265 -2.920 4.541 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.921 -1.507 5.519 1.00 0.00 H new ATOM 346 N LYS A 25 -4.079 -0.862 -1.750 1.00 0.00 N ATOM 347 CA LYS A 25 -2.774 -0.289 -2.030 1.00 0.00 C ATOM 348 C LYS A 25 -2.890 1.235 -2.077 1.00 0.00 C ATOM 349 O LYS A 25 -3.597 1.782 -2.922 1.00 0.00 O ATOM 350 CB LYS A 25 -2.183 -0.901 -3.302 1.00 0.00 C ATOM 351 CG LYS A 25 -0.939 -0.132 -3.753 1.00 0.00 C ATOM 352 CD LYS A 25 -0.403 -0.684 -5.076 1.00 0.00 C ATOM 353 CE LYS A 25 -1.422 -0.496 -6.202 1.00 0.00 C ATOM 354 NZ LYS A 25 -0.734 -0.348 -7.504 1.00 0.00 N ATOM 0 H LYS A 25 -4.857 -0.401 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.072 -0.530 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.925 -1.944 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.930 -0.890 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.182 0.924 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.167 -0.201 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.527 -0.179 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.170 -1.743 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.097 -1.351 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.033 0.385 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.440 -0.221 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.108 0.482 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.170 -1.200 -7.698 1.00 0.00 H new ATOM 368 N LYS A 26 -2.185 1.879 -1.159 1.00 0.00 N ATOM 369 CA LYS A 26 -2.200 3.330 -1.085 1.00 0.00 C ATOM 370 C LYS A 26 -0.845 3.874 -1.542 1.00 0.00 C ATOM 371 O LYS A 26 0.194 3.281 -1.257 1.00 0.00 O ATOM 372 CB LYS A 26 -2.606 3.791 0.316 1.00 0.00 C ATOM 373 CG LYS A 26 -3.544 2.778 0.976 1.00 0.00 C ATOM 374 CD LYS A 26 -3.815 3.151 2.435 1.00 0.00 C ATOM 375 CE LYS A 26 -5.204 2.682 2.872 1.00 0.00 C ATOM 376 NZ LYS A 26 -5.746 3.574 3.922 1.00 0.00 N ATOM 0 H LYS A 26 -1.599 1.422 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.952 3.738 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.716 3.923 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.098 4.762 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.485 2.737 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.102 1.783 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.057 2.701 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.736 4.231 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.877 2.670 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.148 1.660 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.896 3.030 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.072 4.344 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.651 3.975 3.604 1.00 0.00 H new ATOM 390 N TRP A 27 -0.900 4.997 -2.244 1.00 0.00 N ATOM 391 CA TRP A 27 0.310 5.627 -2.743 1.00 0.00 C ATOM 392 C TRP A 27 -0.006 7.096 -3.031 1.00 0.00 C ATOM 393 O TRP A 27 -1.111 7.425 -3.461 1.00 0.00 O ATOM 394 CB TRP A 27 0.852 4.883 -3.965 1.00 0.00 C ATOM 395 CG TRP A 27 0.008 5.062 -5.228 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.188 5.943 -6.222 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.163 4.303 -5.596 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.777 5.808 -7.199 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.625 4.778 -6.806 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.810 3.249 -4.927 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.753 4.260 -7.453 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.936 2.742 -5.587 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.414 3.209 -6.805 1.00 0.00 C ATOM 0 H TRP A 27 -1.764 5.486 -2.479 1.00 0.00 H new ATOM 0 HA TRP A 27 1.104 5.580 -1.998 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.866 5.227 -4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.917 3.820 -3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.988 6.668 -6.254 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.854 6.362 -8.052 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.466 2.861 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.095 4.650 -8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.471 1.931 -5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.291 2.764 -7.250 1.00 0.00 H new ATOM 414 N TRP A 28 0.983 7.941 -2.781 1.00 0.00 N ATOM 415 CA TRP A 28 0.824 9.368 -3.007 1.00 0.00 C ATOM 416 C TRP A 28 2.219 9.992 -3.085 1.00 0.00 C ATOM 417 O TRP A 28 3.216 9.331 -2.801 1.00 0.00 O ATOM 418 CB TRP A 28 -0.054 10.000 -1.926 1.00 0.00 C ATOM 419 CG TRP A 28 0.564 9.971 -0.526 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.244 10.944 0.096 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.530 8.870 0.406 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.650 10.552 1.355 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.202 9.251 1.550 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.048 7.594 0.286 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.358 8.414 2.661 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.117 6.770 1.406 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.790 7.139 2.565 1.00 0.00 C ATOM 0 H TRP A 28 1.898 7.665 -2.424 1.00 0.00 H new ATOM 0 HA TRP A 28 0.306 9.554 -3.948 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.261 11.035 -2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.012 9.480 -1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.449 11.913 -0.334 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.181 11.114 2.020 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.577 7.275 -0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.889 8.735 3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.308 5.778 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.874 6.444 3.388 1.00 0.00 H new ATOM 438 N SER A 29 2.244 11.259 -3.473 1.00 0.00 N ATOM 439 CA SER A 29 3.500 11.980 -3.592 1.00 0.00 C ATOM 440 C SER A 29 3.673 12.930 -2.405 1.00 0.00 C ATOM 441 O SER A 29 2.690 13.381 -1.818 1.00 0.00 O ATOM 442 CB SER A 29 3.565 12.758 -4.908 1.00 0.00 C ATOM 443 OG SER A 29 2.607 13.812 -4.953 1.00 0.00 O ATOM 0 H SER A 29 1.415 11.804 -3.709 1.00 0.00 H new ATOM 0 HA SER A 29 4.313 11.254 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.565 13.172 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.393 12.076 -5.741 1.00 0.00 H new ATOM 0 HG SER A 29 2.682 14.286 -5.808 1.00 0.00 H new ATOM 449 N ASP A 30 4.929 13.206 -2.087 1.00 0.00 N ATOM 450 CA ASP A 30 5.243 14.093 -0.980 1.00 0.00 C ATOM 451 C ASP A 30 6.518 14.875 -1.305 1.00 0.00 C ATOM 452 O ASP A 30 7.234 14.538 -2.247 1.00 0.00 O ATOM 453 CB ASP A 30 5.488 13.304 0.307 1.00 0.00 C ATOM 454 CG ASP A 30 5.579 14.151 1.578 1.00 0.00 C ATOM 455 OD1 ASP A 30 4.584 14.850 1.867 1.00 0.00 O ATOM 456 OD2 ASP A 30 6.642 14.080 2.232 1.00 0.00 O ATOM 0 H ASP A 30 5.741 12.831 -2.577 1.00 0.00 H new ATOM 0 HA ASP A 30 4.396 14.764 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.684 12.578 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.414 12.739 0.198 1.00 0.00 H new ATOM 461 N HIS A 31 6.763 15.904 -0.507 1.00 0.00 N ATOM 462 CA HIS A 31 7.938 16.736 -0.698 1.00 0.00 C ATOM 463 C HIS A 31 9.198 15.923 -0.390 1.00 0.00 C ATOM 464 O HIS A 31 10.310 16.362 -0.679 1.00 0.00 O ATOM 465 CB HIS A 31 7.840 18.015 0.136 1.00 0.00 C ATOM 466 CG HIS A 31 8.917 19.029 -0.166 1.00 0.00 C ATOM 467 ND1 HIS A 31 9.037 19.652 -1.396 1.00 0.00 N ATOM 468 CD2 HIS A 31 9.920 19.523 0.615 1.00 0.00 C ATOM 469 CE1 HIS A 31 10.070 20.480 -1.347 1.00 0.00 C ATOM 470 NE2 HIS A 31 10.616 20.398 -0.100 1.00 0.00 N ATOM 0 H HIS A 31 6.167 16.180 0.273 1.00 0.00 H new ATOM 0 HA HIS A 31 7.997 17.054 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.866 18.473 -0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.889 17.752 1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.115 19.249 1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.418 21.109 -2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.426 20.923 0.229 1.00 0.00 H new ATOM 479 N ARG A 32 8.980 14.753 0.192 1.00 0.00 N ATOM 480 CA ARG A 32 10.084 13.875 0.542 1.00 0.00 C ATOM 481 C ARG A 32 10.202 12.739 -0.476 1.00 0.00 C ATOM 482 O ARG A 32 11.290 12.209 -0.697 1.00 0.00 O ATOM 483 CB ARG A 32 9.893 13.281 1.939 1.00 0.00 C ATOM 484 CG ARG A 32 9.871 14.380 3.004 1.00 0.00 C ATOM 485 CD ARG A 32 11.222 15.093 3.084 1.00 0.00 C ATOM 486 NE ARG A 32 12.314 14.145 2.774 1.00 0.00 N ATOM 487 CZ ARG A 32 12.862 13.311 3.669 1.00 0.00 C ATOM 488 NH1 ARG A 32 12.423 13.304 4.934 1.00 0.00 N ATOM 489 NH2 ARG A 32 13.850 12.485 3.298 1.00 0.00 N ATOM 0 H ARG A 32 8.056 14.393 0.430 1.00 0.00 H new ATOM 0 HA ARG A 32 10.997 14.470 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.961 12.717 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.699 12.579 2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.088 15.102 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.626 13.947 3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.244 15.927 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.364 15.510 4.081 1.00 0.00 H new ATOM 0 HE ARG A 32 12.673 14.125 1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.672 13.933 5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.840 12.669 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.185 12.491 2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.267 11.850 3.979 1.00 0.00 H new ATOM 503 N GLY A 33 9.067 12.398 -1.069 1.00 0.00 N ATOM 504 CA GLY A 33 9.029 11.335 -2.058 1.00 0.00 C ATOM 505 C GLY A 33 7.634 10.713 -2.142 1.00 0.00 C ATOM 506 O GLY A 33 6.700 11.185 -1.494 1.00 0.00 O ATOM 0 H GLY A 33 8.167 12.840 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.314 11.730 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.758 10.567 -1.800 1.00 0.00 H new ATOM 510 N THR A 34 7.535 9.665 -2.946 1.00 0.00 N ATOM 511 CA THR A 34 6.269 8.974 -3.123 1.00 0.00 C ATOM 512 C THR A 34 6.061 7.947 -2.009 1.00 0.00 C ATOM 513 O THR A 34 6.794 6.962 -1.923 1.00 0.00 O ATOM 514 CB THR A 34 6.258 8.361 -4.525 1.00 0.00 C ATOM 515 OG1 THR A 34 6.031 9.472 -5.388 1.00 0.00 O ATOM 516 CG2 THR A 34 5.047 7.455 -4.758 1.00 0.00 C ATOM 0 H THR A 34 8.311 9.277 -3.482 1.00 0.00 H new ATOM 0 HA THR A 34 5.428 9.663 -3.047 1.00 0.00 H new ATOM 0 HB THR A 34 7.174 7.790 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.011 9.165 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.088 7.046 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.058 6.639 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.131 8.034 -4.638 1.00 0.00 H new ATOM 524 N ILE A 35 5.060 8.211 -1.183 1.00 0.00 N ATOM 525 CA ILE A 35 4.746 7.322 -0.078 1.00 0.00 C ATOM 526 C ILE A 35 3.751 6.260 -0.550 1.00 0.00 C ATOM 527 O ILE A 35 2.754 6.581 -1.195 1.00 0.00 O ATOM 528 CB ILE A 35 4.263 8.122 1.133 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.308 9.155 1.560 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.872 7.193 2.284 1.00 0.00 C ATOM 531 CD1 ILE A 35 4.961 9.754 2.925 1.00 0.00 C ATOM 0 H ILE A 35 4.455 9.029 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 35 5.641 6.796 0.253 1.00 0.00 H new ATOM 0 HB ILE A 35 3.367 8.671 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.291 8.686 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.366 9.948 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.532 7.788 3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.069 6.531 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.736 6.598 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.719 10.485 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.988 10.243 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.928 8.961 3.672 1.00 0.00 H new ATOM 543 N ILE A 36 4.057 5.016 -0.210 1.00 0.00 N ATOM 544 CA ILE A 36 3.202 3.905 -0.591 1.00 0.00 C ATOM 545 C ILE A 36 2.891 3.059 0.646 1.00 0.00 C ATOM 546 O ILE A 36 3.801 2.566 1.311 1.00 0.00 O ATOM 547 CB ILE A 36 3.834 3.110 -1.736 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.460 4.046 -2.772 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.818 2.155 -2.365 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.110 3.251 -3.906 1.00 0.00 C ATOM 0 H ILE A 36 4.885 4.753 0.325 1.00 0.00 H new ATOM 0 HA ILE A 36 2.250 4.272 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 36 4.639 2.499 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.695 4.708 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.207 4.679 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.292 1.602 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.460 1.456 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.977 2.726 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.547 3.940 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.890 2.608 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.356 2.638 -4.399 1.00 0.00 H new ATOM 562 N GLU A 37 1.602 2.917 0.917 1.00 0.00 N ATOM 563 CA GLU A 37 1.159 2.139 2.062 1.00 0.00 C ATOM 564 C GLU A 37 0.144 1.081 1.625 1.00 0.00 C ATOM 565 O GLU A 37 -0.955 1.415 1.183 1.00 0.00 O ATOM 566 CB GLU A 37 0.574 3.045 3.147 1.00 0.00 C ATOM 567 CG GLU A 37 1.668 3.887 3.807 1.00 0.00 C ATOM 568 CD GLU A 37 2.583 3.017 4.671 1.00 0.00 C ATOM 569 OE1 GLU A 37 2.132 1.911 5.040 1.00 0.00 O ATOM 570 OE2 GLU A 37 3.713 3.477 4.943 1.00 0.00 O ATOM 0 H GLU A 37 0.850 3.327 0.364 1.00 0.00 H new ATOM 0 HA GLU A 37 2.024 1.630 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.181 3.700 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.072 2.438 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.257 4.390 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.213 4.664 4.421 1.00 0.00 H new ATOM 577 N ARG A 38 0.547 -0.173 1.764 1.00 0.00 N ATOM 578 CA ARG A 38 -0.314 -1.282 1.389 1.00 0.00 C ATOM 579 C ARG A 38 -0.609 -2.160 2.606 1.00 0.00 C ATOM 580 O ARG A 38 0.114 -2.112 3.601 1.00 0.00 O ATOM 581 CB ARG A 38 0.333 -2.136 0.296 1.00 0.00 C ATOM 582 CG ARG A 38 0.816 -1.267 -0.866 1.00 0.00 C ATOM 583 CD ARG A 38 0.999 -2.101 -2.136 1.00 0.00 C ATOM 584 NE ARG A 38 1.946 -1.427 -3.051 1.00 0.00 N ATOM 585 CZ ARG A 38 3.238 -1.210 -2.769 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.744 -1.612 -1.596 1.00 0.00 N ATOM 587 NH2 ARG A 38 4.024 -0.591 -3.661 1.00 0.00 N ATOM 0 H ARG A 38 1.459 -0.446 2.131 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.245 -0.864 1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.173 -2.691 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.385 -2.871 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.097 -0.469 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.760 -0.790 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.372 -3.093 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.038 -2.240 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 38 1.593 -1.107 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.146 -2.083 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.727 -1.447 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.639 -0.285 -4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.007 -0.426 -3.446 1.00 0.00 H new ATOM 601 N GLY A 39 -1.671 -2.943 2.488 1.00 0.00 N ATOM 602 CA GLY A 39 -2.071 -3.831 3.566 1.00 0.00 C ATOM 603 C GLY A 39 -3.292 -4.662 3.168 1.00 0.00 C ATOM 604 O GLY A 39 -3.761 -4.580 2.034 1.00 0.00 O ATOM 0 H GLY A 39 -2.267 -2.981 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.244 -4.493 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.299 -3.247 4.457 1.00 0.00 H new ATOM 608 N CYS A 40 -3.772 -5.445 4.124 1.00 0.00 N ATOM 609 CA CYS A 40 -4.929 -6.291 3.887 1.00 0.00 C ATOM 610 C CYS A 40 -6.190 -5.458 4.129 1.00 0.00 C ATOM 611 O CYS A 40 -6.172 -4.512 4.915 1.00 0.00 O ATOM 612 CB CYS A 40 -4.900 -7.547 4.760 1.00 0.00 C ATOM 613 SG CYS A 40 -3.835 -8.895 4.128 1.00 0.00 S ATOM 0 H CYS A 40 -3.381 -5.511 5.064 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.919 -6.644 2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.559 -7.271 5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.917 -7.924 4.863 1.00 0.00 H new ATOM 618 N GLY A 41 -7.254 -5.840 3.438 1.00 0.00 N ATOM 619 CA GLY A 41 -8.521 -5.141 3.567 1.00 0.00 C ATOM 620 C GLY A 41 -8.683 -4.092 2.465 1.00 0.00 C ATOM 621 O GLY A 41 -7.947 -4.102 1.480 1.00 0.00 O ATOM 0 H GLY A 41 -7.264 -6.625 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.342 -5.856 3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.577 -4.660 4.543 1.00 0.00 H new ATOM 625 N CYS A 42 -9.652 -3.211 2.669 1.00 0.00 N ATOM 626 CA CYS A 42 -9.921 -2.158 1.705 1.00 0.00 C ATOM 627 C CYS A 42 -10.379 -0.913 2.468 1.00 0.00 C ATOM 628 O CYS A 42 -11.560 -0.569 2.448 1.00 0.00 O ATOM 629 CB CYS A 42 -10.947 -2.596 0.659 1.00 0.00 C ATOM 630 SG CYS A 42 -11.466 -1.283 -0.506 1.00 0.00 S ATOM 0 H CYS A 42 -10.260 -3.205 3.488 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.011 -1.929 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.530 -3.425 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.830 -2.975 1.173 1.00 0.00 H new ATOM 635 N PRO A 43 -9.421 -0.273 3.123 1.00 0.00 N ATOM 636 CA PRO A 43 -9.635 0.938 3.917 1.00 0.00 C ATOM 637 C PRO A 43 -9.957 2.131 3.014 1.00 0.00 C ATOM 638 O PRO A 43 -10.021 1.989 1.794 1.00 0.00 O ATOM 639 CB PRO A 43 -8.294 1.138 4.626 1.00 0.00 C ATOM 640 CG PRO A 43 -7.302 0.501 3.697 1.00 0.00 C ATOM 641 CD PRO A 43 -8.019 -0.696 3.137 1.00 0.00 C ATOM 0 HA PRO A 43 -10.474 0.852 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.076 2.195 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.285 0.664 5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.002 1.189 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.395 0.208 4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.664 -0.946 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.872 -1.580 3.758 1.00 0.00 H new ATOM 649 N LYS A 44 -10.152 3.278 3.648 1.00 0.00 N ATOM 650 CA LYS A 44 -10.466 4.493 2.916 1.00 0.00 C ATOM 651 C LYS A 44 -9.324 5.496 3.089 1.00 0.00 C ATOM 652 O LYS A 44 -8.759 5.618 4.175 1.00 0.00 O ATOM 653 CB LYS A 44 -11.831 5.037 3.341 1.00 0.00 C ATOM 654 CG LYS A 44 -12.133 6.366 2.646 1.00 0.00 C ATOM 655 CD LYS A 44 -12.692 6.135 1.240 1.00 0.00 C ATOM 656 CE LYS A 44 -14.197 5.863 1.287 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.457 4.416 1.454 1.00 0.00 N ATOM 0 H LYS A 44 -10.099 3.391 4.660 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.550 4.284 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.607 4.311 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.851 5.175 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.850 6.935 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.224 6.964 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.496 7.009 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.181 5.292 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.647 6.417 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.666 6.219 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.295 4.148 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.634 3.875 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.625 4.207 2.459 1.00 0.00 H new ATOM 671 N VAL A 45 -9.018 6.189 2.002 1.00 0.00 N ATOM 672 CA VAL A 45 -7.953 7.178 2.020 1.00 0.00 C ATOM 673 C VAL A 45 -8.553 8.571 1.814 1.00 0.00 C ATOM 674 O VAL A 45 -9.694 8.700 1.372 1.00 0.00 O ATOM 675 CB VAL A 45 -6.892 6.824 0.975 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.357 5.408 1.197 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.443 6.987 -0.443 1.00 0.00 C ATOM 0 H VAL A 45 -9.489 6.085 1.103 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.450 7.180 2.987 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.060 7.519 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.605 5.181 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.908 5.340 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.176 4.693 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.669 6.729 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.300 6.327 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.753 8.021 -0.596 1.00 0.00 H new ATOM 687 N LYS A 46 -7.758 9.577 2.144 1.00 0.00 N ATOM 688 CA LYS A 46 -8.196 10.955 2.001 1.00 0.00 C ATOM 689 C LYS A 46 -7.927 11.425 0.570 1.00 0.00 C ATOM 690 O LYS A 46 -7.250 10.741 -0.195 1.00 0.00 O ATOM 691 CB LYS A 46 -7.547 11.838 3.070 1.00 0.00 C ATOM 692 CG LYS A 46 -7.463 11.103 4.409 1.00 0.00 C ATOM 693 CD LYS A 46 -6.919 12.022 5.505 1.00 0.00 C ATOM 694 CE LYS A 46 -7.867 13.197 5.756 1.00 0.00 C ATOM 695 NZ LYS A 46 -7.705 13.707 7.136 1.00 0.00 N ATOM 0 H LYS A 46 -6.813 9.466 2.510 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.271 11.032 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.548 12.130 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.124 12.755 3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.451 10.740 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.819 10.229 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.785 11.455 6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.937 12.397 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.665 13.994 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.898 12.881 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.355 14.504 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.920 12.948 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.725 14.028 7.275 1.00 0.00 H new ATOM 709 N PRO A 47 -8.472 12.590 0.251 1.00 0.00 N ATOM 710 CA PRO A 47 -8.346 13.231 -1.059 1.00 0.00 C ATOM 711 C PRO A 47 -6.869 13.469 -1.381 1.00 0.00 C ATOM 712 O PRO A 47 -6.118 13.953 -0.537 1.00 0.00 O ATOM 713 CB PRO A 47 -9.062 14.571 -0.878 1.00 0.00 C ATOM 714 CG PRO A 47 -10.026 14.313 0.244 1.00 0.00 C ATOM 715 CD PRO A 47 -9.278 13.398 1.171 1.00 0.00 C ATOM 0 HA PRO A 47 -8.761 12.632 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.362 15.368 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.579 14.874 -1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.312 15.239 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.944 13.849 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.656 13.954 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.954 12.782 1.764 1.00 0.00 H new ATOM 723 N GLY A 48 -6.498 13.119 -2.604 1.00 0.00 N ATOM 724 CA GLY A 48 -5.125 13.289 -3.047 1.00 0.00 C ATOM 725 C GLY A 48 -4.372 11.957 -3.024 1.00 0.00 C ATOM 726 O GLY A 48 -3.525 11.705 -3.879 1.00 0.00 O ATOM 0 H GLY A 48 -7.125 12.718 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.113 13.700 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.618 14.008 -2.404 1.00 0.00 H new ATOM 730 N VAL A 49 -4.710 11.140 -2.037 1.00 0.00 N ATOM 731 CA VAL A 49 -4.077 9.840 -1.893 1.00 0.00 C ATOM 732 C VAL A 49 -4.747 8.843 -2.840 1.00 0.00 C ATOM 733 O VAL A 49 -5.948 8.929 -3.089 1.00 0.00 O ATOM 734 CB VAL A 49 -4.121 9.397 -0.429 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.067 8.323 -0.149 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.949 10.592 0.511 1.00 0.00 C ATOM 0 H VAL A 49 -5.414 11.353 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.025 9.894 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.102 8.961 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.120 8.026 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.254 7.456 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.075 8.722 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.984 10.249 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.988 11.070 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.752 11.309 0.339 1.00 0.00 H new ATOM 746 N ASN A 50 -3.940 7.920 -3.342 1.00 0.00 N ATOM 747 CA ASN A 50 -4.440 6.907 -4.257 1.00 0.00 C ATOM 748 C ASN A 50 -4.692 5.609 -3.486 1.00 0.00 C ATOM 749 O ASN A 50 -3.956 5.283 -2.555 1.00 0.00 O ATOM 750 CB ASN A 50 -3.423 6.611 -5.361 1.00 0.00 C ATOM 751 CG ASN A 50 -3.432 7.712 -6.423 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.275 7.755 -7.304 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.448 8.598 -6.291 1.00 0.00 N ATOM 0 H ASN A 50 -2.944 7.852 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.360 7.283 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.426 6.526 -4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.653 5.652 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.367 9.372 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.775 8.503 -5.530 1.00 0.00 H new ATOM 760 N LEU A 51 -5.733 4.904 -3.902 1.00 0.00 N ATOM 761 CA LEU A 51 -6.091 3.649 -3.262 1.00 0.00 C ATOM 762 C LEU A 51 -6.640 2.684 -4.314 1.00 0.00 C ATOM 763 O LEU A 51 -7.388 3.088 -5.203 1.00 0.00 O ATOM 764 CB LEU A 51 -7.050 3.897 -2.095 1.00 0.00 C ATOM 765 CG LEU A 51 -7.671 2.651 -1.462 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.592 1.644 -1.060 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.572 3.026 -0.283 1.00 0.00 C ATOM 0 H LEU A 51 -6.340 5.177 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.210 3.179 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.514 4.445 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.856 4.543 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.301 2.167 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.061 0.768 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.028 1.343 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.917 2.103 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.001 2.122 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.984 3.546 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.374 3.678 -0.631 1.00 0.00 H new ATOM 779 N ASN A 52 -6.247 1.426 -4.179 1.00 0.00 N ATOM 780 CA ASN A 52 -6.690 0.399 -5.106 1.00 0.00 C ATOM 781 C ASN A 52 -7.023 -0.876 -4.329 1.00 0.00 C ATOM 782 O ASN A 52 -6.167 -1.430 -3.642 1.00 0.00 O ATOM 783 CB ASN A 52 -5.594 0.062 -6.119 1.00 0.00 C ATOM 784 CG ASN A 52 -6.194 -0.496 -7.411 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.417 0.212 -8.379 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.441 -1.803 -7.372 1.00 0.00 N ATOM 0 H ASN A 52 -5.626 1.095 -3.441 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.566 0.777 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.012 0.956 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.907 -0.667 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.841 -2.271 -8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.230 -2.337 -6.529 1.00 0.00 H new ATOM 793 N CYS A 53 -8.270 -1.303 -4.463 1.00 0.00 N ATOM 794 CA CYS A 53 -8.728 -2.502 -3.781 1.00 0.00 C ATOM 795 C CYS A 53 -8.990 -3.582 -4.833 1.00 0.00 C ATOM 796 O CYS A 53 -9.430 -3.280 -5.941 1.00 0.00 O ATOM 797 CB CYS A 53 -9.964 -2.228 -2.923 1.00 0.00 C ATOM 798 SG CYS A 53 -9.748 -0.922 -1.660 1.00 0.00 S ATOM 0 H CYS A 53 -8.978 -0.840 -5.034 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.958 -2.848 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.789 -1.947 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.254 -3.152 -2.423 1.00 0.00 H new ATOM 803 N CYS A 54 -8.710 -4.818 -4.448 1.00 0.00 N ATOM 804 CA CYS A 54 -8.911 -5.945 -5.344 1.00 0.00 C ATOM 805 C CYS A 54 -9.167 -7.193 -4.497 1.00 0.00 C ATOM 806 O CYS A 54 -8.887 -7.202 -3.299 1.00 0.00 O ATOM 807 CB CYS A 54 -7.725 -6.131 -6.292 1.00 0.00 C ATOM 808 SG CYS A 54 -6.087 -5.805 -5.546 1.00 0.00 S ATOM 0 H CYS A 54 -8.346 -5.064 -3.528 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.775 -5.757 -5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.739 -7.153 -6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.856 -5.470 -7.149 1.00 0.00 H new ATOM 813 N ARG A 55 -9.695 -8.216 -5.152 1.00 0.00 N ATOM 814 CA ARG A 55 -9.991 -9.466 -4.475 1.00 0.00 C ATOM 815 C ARG A 55 -9.067 -10.576 -4.980 1.00 0.00 C ATOM 816 O ARG A 55 -9.520 -11.681 -5.273 1.00 0.00 O ATOM 817 CB ARG A 55 -11.446 -9.883 -4.699 1.00 0.00 C ATOM 818 CG ARG A 55 -12.409 -8.849 -4.113 1.00 0.00 C ATOM 819 CD ARG A 55 -13.711 -8.795 -4.915 1.00 0.00 C ATOM 820 NE ARG A 55 -13.472 -8.145 -6.223 1.00 0.00 N ATOM 821 CZ ARG A 55 -13.297 -6.827 -6.386 1.00 0.00 C ATOM 822 NH1 ARG A 55 -13.333 -6.010 -5.325 1.00 0.00 N ATOM 823 NH2 ARG A 55 -13.086 -6.325 -7.611 1.00 0.00 N ATOM 0 H ARG A 55 -9.926 -8.204 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.829 -9.311 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.635 -9.997 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.625 -10.854 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.628 -9.098 -3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.937 -7.866 -4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.097 -9.803 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.468 -8.243 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.438 -8.738 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.494 -6.392 -4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.200 -5.006 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.059 -6.947 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.953 -5.321 -7.735 1.00 0.00 H new ATOM 837 N THR A 56 -7.787 -10.243 -5.065 1.00 0.00 N ATOM 838 CA THR A 56 -6.795 -11.197 -5.530 1.00 0.00 C ATOM 839 C THR A 56 -5.580 -11.199 -4.600 1.00 0.00 C ATOM 840 O THR A 56 -5.194 -10.155 -4.075 1.00 0.00 O ATOM 841 CB THR A 56 -6.449 -10.852 -6.980 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.534 -9.431 -7.028 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.521 -11.323 -7.965 1.00 0.00 C ATOM 0 H THR A 56 -7.414 -9.326 -4.820 1.00 0.00 H new ATOM 0 HA THR A 56 -7.185 -12.215 -5.507 1.00 0.00 H new ATOM 0 HB THR A 56 -5.492 -11.303 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.323 -9.121 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.227 -11.053 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.630 -12.405 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.471 -10.846 -7.724 1.00 0.00 H new ATOM 851 N ASP A 57 -5.012 -12.382 -4.423 1.00 0.00 N ATOM 852 CA ASP A 57 -3.849 -12.534 -3.565 1.00 0.00 C ATOM 853 C ASP A 57 -2.699 -11.690 -4.119 1.00 0.00 C ATOM 854 O ASP A 57 -2.501 -11.624 -5.331 1.00 0.00 O ATOM 855 CB ASP A 57 -3.385 -13.991 -3.517 1.00 0.00 C ATOM 856 CG ASP A 57 -4.419 -14.980 -2.975 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.538 -15.052 -1.732 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.066 -15.642 -3.814 1.00 0.00 O ATOM 0 H ASP A 57 -5.335 -13.245 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.126 -12.211 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.101 -14.300 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.488 -14.051 -2.900 1.00 0.00 H new ATOM 863 N ARG A 58 -1.970 -11.067 -3.204 1.00 0.00 N ATOM 864 CA ARG A 58 -0.845 -10.230 -3.586 1.00 0.00 C ATOM 865 C ARG A 58 -1.199 -9.396 -4.819 1.00 0.00 C ATOM 866 O ARG A 58 -0.358 -9.183 -5.691 1.00 0.00 O ATOM 867 CB ARG A 58 0.392 -11.077 -3.890 1.00 0.00 C ATOM 868 CG ARG A 58 0.514 -12.243 -2.907 1.00 0.00 C ATOM 869 CD ARG A 58 1.946 -12.781 -2.868 1.00 0.00 C ATOM 870 NE ARG A 58 2.160 -13.562 -1.630 1.00 0.00 N ATOM 871 CZ ARG A 58 3.355 -14.011 -1.222 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.450 -13.758 -1.951 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.454 -14.713 -0.085 1.00 0.00 N ATOM 0 H ARG A 58 -2.137 -11.125 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.623 -9.569 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.333 -11.460 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.285 -10.455 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.218 -11.915 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.170 -13.041 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.131 -13.408 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.655 -11.954 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 58 1.347 -13.772 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.374 -13.224 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.360 -14.100 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.620 -14.906 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.363 -15.055 0.226 1.00 0.00 H new ATOM 887 N CYS A 59 -2.444 -8.945 -4.851 1.00 0.00 N ATOM 888 CA CYS A 59 -2.919 -8.138 -5.962 1.00 0.00 C ATOM 889 C CYS A 59 -2.576 -6.675 -5.675 1.00 0.00 C ATOM 890 O CYS A 59 -2.475 -5.865 -6.595 1.00 0.00 O ATOM 891 CB CYS A 59 -4.417 -8.336 -6.206 1.00 0.00 C ATOM 892 SG CYS A 59 -5.505 -7.599 -4.932 1.00 0.00 S ATOM 0 H CYS A 59 -3.138 -9.123 -4.125 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.424 -8.453 -6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.673 -7.907 -7.175 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.623 -9.405 -6.266 1.00 0.00 H new ATOM 897 N ASN A 60 -2.407 -6.381 -4.394 1.00 0.00 N ATOM 898 CA ASN A 60 -2.077 -5.029 -3.974 1.00 0.00 C ATOM 899 C ASN A 60 -0.561 -4.906 -3.811 1.00 0.00 C ATOM 900 O ASN A 60 -0.081 -4.409 -2.793 1.00 0.00 O ATOM 901 CB ASN A 60 -2.726 -4.697 -2.628 1.00 0.00 C ATOM 902 CG ASN A 60 -2.083 -5.501 -1.496 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.808 -6.684 -1.619 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.860 -4.796 -0.391 1.00 0.00 N ATOM 0 H ASN A 60 -2.492 -7.055 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.447 -4.340 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.625 -3.631 -2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.793 -4.913 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.434 -5.242 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.115 -3.809 -0.356 1.00 0.00 H new ATOM 911 N ASN A 61 0.151 -5.367 -4.829 1.00 0.00 N ATOM 912 CA ASN A 61 1.603 -5.314 -4.811 1.00 0.00 C ATOM 913 C ASN A 61 2.061 -3.885 -5.109 1.00 0.00 C ATOM 914 O ASN A 61 1.380 -3.230 -5.928 1.00 0.00 O ATOM 915 CB ASN A 61 2.200 -6.234 -5.878 1.00 0.00 C ATOM 916 CG ASN A 61 3.626 -5.808 -6.233 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.865 -4.751 -6.793 1.00 0.00 O ATOM 918 ND2 ASN A 61 4.558 -6.688 -5.877 1.00 0.00 N ATOM 919 OXT ASN A 61 3.081 -3.480 -4.512 1.00 0.00 O ATOM 0 H ASN A 61 -0.251 -5.779 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 61 1.940 -5.637 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.203 -7.262 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.577 -6.212 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.541 -6.496 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.290 -7.555 -5.411 1.00 0.00 H new TER 926 ASN A 61