USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 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= -4.25! C(o=-4.2!,f=-9.1!) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 10 GLN :FLIP amide:sc= -5.12! C(o=-6.2!,f=-5.1!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.99! C(o=-1.2!,f=-12!) USER MOD Set 3.2: A 13 THR OG1 : rot 81:sc= 0.82 USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0166 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -9.28! C(o=-9.3!,f=-10!) USER MOD Single : A 6 GLN : amide:sc= -4.21! C(o=-4.2!,f=-7.9!) USER MOD Single : A 7 GLN : amide:sc= -4.78! C(o=-4.8!,f=-6.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -160:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0196 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.1) USER MOD Single : A 26 LYS NZ :NH3+ 134:sc= -4.89! (180deg=-9.49!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.097) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.51! USER MOD Single : A 60 ASN : amide:sc= -2.27! C(o=-2.3!,f=-19!) USER MOD Single : A 61 ASN : amide:sc= -1.17 K(o=-1.2,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.224 -15.224 2.189 1.00 0.00 N ATOM 2 CA LEU A 1 -5.855 -14.243 1.183 1.00 0.00 C ATOM 3 C LEU A 1 -4.669 -13.420 1.690 1.00 0.00 C ATOM 4 O LEU A 1 -4.658 -12.983 2.839 1.00 0.00 O ATOM 5 CB LEU A 1 -7.068 -13.396 0.791 1.00 0.00 C ATOM 6 CG LEU A 1 -6.780 -12.180 -0.092 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.619 -12.592 -1.557 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.855 -11.106 0.087 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.260 -15.270 2.266 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.856 -16.157 1.915 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.821 -14.948 3.107 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.531 -14.739 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.781 -14.037 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.555 -13.051 1.703 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.833 -11.744 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.415 -11.709 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.790 -13.294 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.537 -13.066 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.627 -10.253 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.827 -11.515 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.878 -10.784 1.128 1.00 0.00 H new ATOM 22 N GLU A 2 -3.699 -13.234 0.807 1.00 0.00 N ATOM 23 CA GLU A 2 -2.511 -12.472 1.151 1.00 0.00 C ATOM 24 C GLU A 2 -2.524 -11.118 0.438 1.00 0.00 C ATOM 25 O GLU A 2 -2.996 -11.013 -0.694 1.00 0.00 O ATOM 26 CB GLU A 2 -1.240 -13.255 0.815 1.00 0.00 C ATOM 27 CG GLU A 2 -1.401 -14.736 1.164 1.00 0.00 C ATOM 28 CD GLU A 2 -0.047 -15.448 1.175 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.616 -15.390 2.233 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.295 -16.033 0.125 1.00 0.00 O ATOM 0 H GLU A 2 -3.712 -13.598 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.516 -12.295 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.014 -13.150 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.396 -12.838 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.875 -14.833 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.061 -15.214 0.440 1.00 0.00 H new ATOM 37 N CYS A 3 -2.001 -10.116 1.129 1.00 0.00 N ATOM 38 CA CYS A 3 -1.947 -8.773 0.576 1.00 0.00 C ATOM 39 C CYS A 3 -0.575 -8.176 0.897 1.00 0.00 C ATOM 40 O CYS A 3 -0.076 -8.321 2.012 1.00 0.00 O ATOM 41 CB CYS A 3 -3.087 -7.898 1.102 1.00 0.00 C ATOM 42 SG CYS A 3 -4.739 -8.684 1.060 1.00 0.00 S ATOM 0 H CYS A 3 -1.611 -10.207 2.067 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.079 -8.817 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.862 -7.612 2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.122 -6.980 0.516 1.00 0.00 H new ATOM 47 N HIS A 4 -0.003 -7.518 -0.101 1.00 0.00 N ATOM 48 CA HIS A 4 1.301 -6.899 0.061 1.00 0.00 C ATOM 49 C HIS A 4 1.225 -5.816 1.138 1.00 0.00 C ATOM 50 O HIS A 4 0.219 -5.118 1.251 1.00 0.00 O ATOM 51 CB HIS A 4 1.821 -6.369 -1.277 1.00 0.00 C ATOM 52 CG HIS A 4 2.520 -7.409 -2.120 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.886 -7.624 -2.064 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.029 -8.291 -3.037 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.192 -8.592 -2.915 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.040 -9.004 -3.517 1.00 0.00 N ATOM 0 H HIS A 4 -0.419 -7.400 -1.025 1.00 0.00 H new ATOM 0 HA HIS A 4 2.022 -7.645 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.985 -5.959 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.511 -5.547 -1.087 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.545 -7.122 -1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.993 -8.392 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.181 -8.986 -3.100 1.00 0.00 H new ATOM 65 N ASN A 5 2.302 -5.710 1.903 1.00 0.00 N ATOM 66 CA ASN A 5 2.370 -4.723 2.967 1.00 0.00 C ATOM 67 C ASN A 5 3.634 -3.879 2.794 1.00 0.00 C ATOM 68 O ASN A 5 4.056 -3.190 3.722 1.00 0.00 O ATOM 69 CB ASN A 5 2.436 -5.397 4.339 1.00 0.00 C ATOM 70 CG ASN A 5 3.862 -5.847 4.661 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.461 -6.648 3.962 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.371 -5.289 5.756 1.00 0.00 N ATOM 0 H ASN A 5 3.134 -6.292 1.807 1.00 0.00 H new ATOM 0 HA ASN A 5 1.474 -4.104 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.088 -4.705 5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.766 -6.257 4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.317 -5.525 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.815 -4.626 6.296 1.00 0.00 H new ATOM 79 N GLN A 6 4.202 -3.959 1.600 1.00 0.00 N ATOM 80 CA GLN A 6 5.409 -3.211 1.294 1.00 0.00 C ATOM 81 C GLN A 6 5.129 -1.708 1.344 1.00 0.00 C ATOM 82 O GLN A 6 4.126 -1.241 0.806 1.00 0.00 O ATOM 83 CB GLN A 6 5.976 -3.617 -0.068 1.00 0.00 C ATOM 84 CG GLN A 6 5.413 -2.733 -1.182 1.00 0.00 C ATOM 85 CD GLN A 6 5.789 -3.281 -2.561 1.00 0.00 C ATOM 86 OE1 GLN A 6 4.974 -3.373 -3.464 1.00 0.00 O ATOM 87 NE2 GLN A 6 7.065 -3.638 -2.671 1.00 0.00 N ATOM 0 H GLN A 6 3.848 -4.531 0.833 1.00 0.00 H new ATOM 0 HA GLN A 6 6.160 -3.447 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.063 -3.539 -0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.735 -4.661 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.328 -2.676 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.795 -1.718 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.694 -3.534 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.415 -4.016 -3.552 1.00 0.00 H new ATOM 96 N GLN A 7 6.033 -0.991 1.996 1.00 0.00 N ATOM 97 CA GLN A 7 5.896 0.450 2.123 1.00 0.00 C ATOM 98 C GLN A 7 6.901 1.161 1.216 1.00 0.00 C ATOM 99 O GLN A 7 8.035 0.708 1.064 1.00 0.00 O ATOM 100 CB GLN A 7 6.064 0.889 3.579 1.00 0.00 C ATOM 101 CG GLN A 7 4.818 0.552 4.401 1.00 0.00 C ATOM 102 CD GLN A 7 3.814 1.706 4.375 1.00 0.00 C ATOM 103 OE1 GLN A 7 4.048 2.753 3.795 1.00 0.00 O ATOM 104 NE2 GLN A 7 2.686 1.456 5.033 1.00 0.00 N ATOM 0 H GLN A 7 6.863 -1.381 2.442 1.00 0.00 H new ATOM 0 HA GLN A 7 4.891 0.730 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.934 0.397 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.252 1.962 3.620 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.351 -0.350 4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.104 0.338 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.555 0.557 5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.952 2.163 5.074 1.00 0.00 H new ATOM 113 N SER A 8 6.450 2.265 0.637 1.00 0.00 N ATOM 114 CA SER A 8 7.297 3.043 -0.251 1.00 0.00 C ATOM 115 C SER A 8 7.990 2.121 -1.255 1.00 0.00 C ATOM 116 O SER A 8 7.360 1.231 -1.824 1.00 0.00 O ATOM 117 CB SER A 8 8.334 3.844 0.539 1.00 0.00 C ATOM 118 OG SER A 8 7.763 4.478 1.680 1.00 0.00 O ATOM 0 H SER A 8 5.510 2.639 0.766 1.00 0.00 H new ATOM 0 HA SER A 8 6.667 3.749 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.138 3.181 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.780 4.598 -0.109 1.00 0.00 H new ATOM 0 HG SER A 8 8.457 4.978 2.158 1.00 0.00 H new ATOM 124 N SER A 9 9.279 2.365 -1.442 1.00 0.00 N ATOM 125 CA SER A 9 10.065 1.567 -2.368 1.00 0.00 C ATOM 126 C SER A 9 10.772 0.438 -1.616 1.00 0.00 C ATOM 127 O SER A 9 11.757 -0.115 -2.102 1.00 0.00 O ATOM 128 CB SER A 9 11.086 2.431 -3.110 1.00 0.00 C ATOM 129 OG SER A 9 10.555 3.709 -3.454 1.00 0.00 O ATOM 0 H SER A 9 9.799 3.104 -0.968 1.00 0.00 H new ATOM 0 HA SER A 9 9.389 1.136 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.971 2.562 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.407 1.916 -4.016 1.00 0.00 H new ATOM 0 HG SER A 9 11.238 4.231 -3.925 1.00 0.00 H new ATOM 135 N GLN A 10 10.243 0.130 -0.441 1.00 0.00 N ATOM 136 CA GLN A 10 10.811 -0.923 0.383 1.00 0.00 C ATOM 137 C GLN A 10 10.599 -2.287 -0.277 1.00 0.00 C ATOM 138 O GLN A 10 9.861 -2.399 -1.254 1.00 0.00 O ATOM 139 CB GLN A 10 10.216 -0.898 1.792 1.00 0.00 C ATOM 140 CG GLN A 10 10.268 0.512 2.385 1.00 0.00 C ATOM 141 CD GLN A 10 9.265 0.662 3.531 1.00 0.00 C ATOM 142 OE1 GLN A 10 8.722 1.873 3.618 1.00 0.00 O flip ATOM 143 NE2 GLN A 10 9.002 -0.260 4.285 1.00 0.00 N flip ATOM 0 H GLN A 10 9.427 0.592 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 10 11.883 -0.748 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.183 -1.245 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.764 -1.587 2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.274 0.721 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.051 1.245 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.456 -1.165 4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.328 -0.126 5.039 1.00 0.00 H new ATOM 152 N PRO A 11 11.261 -3.289 0.282 1.00 0.00 N ATOM 153 CA PRO A 11 11.208 -4.676 -0.182 1.00 0.00 C ATOM 154 C PRO A 11 9.765 -5.183 -0.142 1.00 0.00 C ATOM 155 O PRO A 11 9.075 -5.019 0.863 1.00 0.00 O ATOM 156 CB PRO A 11 12.054 -5.434 0.842 1.00 0.00 C ATOM 157 CG PRO A 11 12.981 -4.387 1.387 1.00 0.00 C ATOM 158 CD PRO A 11 12.139 -3.143 1.446 1.00 0.00 C ATOM 0 HA PRO A 11 11.565 -4.798 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.436 -5.869 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.604 -6.253 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.356 -4.661 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.849 -4.250 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.572 -3.082 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.747 -2.240 1.384 1.00 0.00 H new ATOM 166 N PRO A 12 9.351 -5.787 -1.246 1.00 0.00 N ATOM 167 CA PRO A 12 8.011 -6.348 -1.428 1.00 0.00 C ATOM 168 C PRO A 12 7.743 -7.412 -0.361 1.00 0.00 C ATOM 169 O PRO A 12 8.500 -8.373 -0.236 1.00 0.00 O ATOM 170 CB PRO A 12 8.076 -7.002 -2.810 1.00 0.00 C ATOM 171 CG PRO A 12 9.166 -6.246 -3.512 1.00 0.00 C ATOM 172 CD PRO A 12 10.181 -5.977 -2.438 1.00 0.00 C ATOM 0 HA PRO A 12 7.221 -5.602 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.308 -8.065 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.126 -6.917 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.594 -6.830 -4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.791 -5.319 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.874 -6.810 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.779 -5.093 -2.659 1.00 0.00 H new ATOM 180 N THR A 13 6.664 -7.204 0.380 1.00 0.00 N ATOM 181 CA THR A 13 6.288 -8.133 1.432 1.00 0.00 C ATOM 182 C THR A 13 4.803 -8.486 1.326 1.00 0.00 C ATOM 183 O THR A 13 4.085 -7.923 0.502 1.00 0.00 O ATOM 184 CB THR A 13 6.670 -7.507 2.774 1.00 0.00 C ATOM 185 OG1 THR A 13 6.367 -6.125 2.612 1.00 0.00 O ATOM 186 CG2 THR A 13 8.180 -7.531 3.023 1.00 0.00 C ATOM 0 H THR A 13 6.038 -6.406 0.272 1.00 0.00 H new ATOM 0 HA THR A 13 6.822 -9.078 1.335 1.00 0.00 H new ATOM 0 HB THR A 13 6.161 -8.037 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.407 -5.983 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.397 -7.075 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.533 -8.562 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.687 -6.973 2.236 1.00 0.00 H new ATOM 194 N THR A 14 4.387 -9.416 2.173 1.00 0.00 N ATOM 195 CA THR A 14 3.001 -9.851 2.185 1.00 0.00 C ATOM 196 C THR A 14 2.543 -10.133 3.617 1.00 0.00 C ATOM 197 O THR A 14 3.365 -10.385 4.497 1.00 0.00 O ATOM 198 CB THR A 14 2.876 -11.061 1.257 1.00 0.00 C ATOM 199 OG1 THR A 14 4.077 -11.795 1.481 1.00 0.00 O ATOM 200 CG2 THR A 14 2.945 -10.674 -0.221 1.00 0.00 C ATOM 0 H THR A 14 4.986 -9.880 2.856 1.00 0.00 H new ATOM 0 HA THR A 14 2.338 -9.069 1.813 1.00 0.00 H new ATOM 0 HB THR A 14 1.935 -11.574 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.238 -12.398 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.851 -11.569 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.133 -9.986 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.900 -10.191 -0.426 1.00 0.00 H new ATOM 208 N LYS A 15 1.233 -10.082 3.807 1.00 0.00 N ATOM 209 CA LYS A 15 0.656 -10.329 5.118 1.00 0.00 C ATOM 210 C LYS A 15 -0.715 -10.988 4.951 1.00 0.00 C ATOM 211 O LYS A 15 -1.409 -10.743 3.965 1.00 0.00 O ATOM 212 CB LYS A 15 0.623 -9.040 5.940 1.00 0.00 C ATOM 213 CG LYS A 15 -0.303 -8.004 5.299 1.00 0.00 C ATOM 214 CD LYS A 15 -0.381 -6.736 6.152 1.00 0.00 C ATOM 215 CE LYS A 15 -0.578 -7.081 7.630 1.00 0.00 C ATOM 216 NZ LYS A 15 -1.055 -5.897 8.379 1.00 0.00 N ATOM 0 H LYS A 15 0.554 -9.873 3.075 1.00 0.00 H new ATOM 0 HA LYS A 15 1.277 -11.024 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.284 -9.259 6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.630 -8.631 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.060 -7.754 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.300 -8.427 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.532 -6.154 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.205 -6.112 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.297 -7.894 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.361 -7.434 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.184 -6.148 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.355 -5.132 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.962 -5.578 7.983 1.00 0.00 H new ATOM 230 N THR A 16 -1.063 -11.810 5.929 1.00 0.00 N ATOM 231 CA THR A 16 -2.339 -12.506 5.903 1.00 0.00 C ATOM 232 C THR A 16 -3.472 -11.557 6.297 1.00 0.00 C ATOM 233 O THR A 16 -3.339 -10.786 7.246 1.00 0.00 O ATOM 234 CB THR A 16 -2.228 -13.731 6.813 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.932 -14.254 6.535 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.180 -14.855 6.399 1.00 0.00 C ATOM 0 H THR A 16 -0.484 -12.010 6.745 1.00 0.00 H new ATOM 0 HA THR A 16 -2.581 -12.851 4.898 1.00 0.00 H new ATOM 0 HB THR A 16 -2.436 -13.439 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.776 -15.050 7.084 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.061 -15.700 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.208 -14.496 6.443 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.950 -15.171 5.381 1.00 0.00 H new ATOM 244 N CYS A 17 -4.561 -11.644 5.547 1.00 0.00 N ATOM 245 CA CYS A 17 -5.717 -10.802 5.807 1.00 0.00 C ATOM 246 C CYS A 17 -6.648 -11.547 6.765 1.00 0.00 C ATOM 247 O CYS A 17 -7.098 -12.652 6.466 1.00 0.00 O ATOM 248 CB CYS A 17 -6.430 -10.405 4.512 1.00 0.00 C ATOM 249 SG CYS A 17 -5.317 -9.996 3.118 1.00 0.00 S ATOM 0 H CYS A 17 -4.667 -12.284 4.760 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.394 -9.869 6.268 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.084 -11.222 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.068 -9.544 4.714 1.00 0.00 H new ATOM 254 N SER A 18 -6.911 -10.911 7.898 1.00 0.00 N ATOM 255 CA SER A 18 -7.781 -11.500 8.902 1.00 0.00 C ATOM 256 C SER A 18 -9.161 -10.841 8.850 1.00 0.00 C ATOM 257 O SER A 18 -9.292 -9.646 9.108 1.00 0.00 O ATOM 258 CB SER A 18 -7.178 -11.361 10.302 1.00 0.00 C ATOM 259 OG SER A 18 -7.787 -12.248 11.235 1.00 0.00 O ATOM 0 H SER A 18 -6.537 -9.994 8.143 1.00 0.00 H new ATOM 0 HA SER A 18 -7.885 -12.563 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.107 -11.561 10.257 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.296 -10.334 10.648 1.00 0.00 H new ATOM 0 HG SER A 18 -7.374 -12.130 12.116 1.00 0.00 H new ATOM 265 N GLY A 19 -10.155 -11.650 8.514 1.00 0.00 N ATOM 266 CA GLY A 19 -11.520 -11.161 8.425 1.00 0.00 C ATOM 267 C GLY A 19 -11.745 -10.400 7.117 1.00 0.00 C ATOM 268 O GLY A 19 -12.881 -10.085 6.766 1.00 0.00 O ATOM 0 H GLY A 19 -10.042 -12.641 8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.215 -11.998 8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.732 -10.508 9.271 1.00 0.00 H new ATOM 272 N GLU A 20 -10.645 -10.126 6.432 1.00 0.00 N ATOM 273 CA GLU A 20 -10.708 -9.407 5.171 1.00 0.00 C ATOM 274 C GLU A 20 -10.524 -10.374 4.000 1.00 0.00 C ATOM 275 O GLU A 20 -9.991 -11.469 4.172 1.00 0.00 O ATOM 276 CB GLU A 20 -9.667 -8.287 5.125 1.00 0.00 C ATOM 277 CG GLU A 20 -9.567 -7.576 6.477 1.00 0.00 C ATOM 278 CD GLU A 20 -8.265 -6.780 6.582 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.203 -7.435 6.648 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.361 -5.534 6.595 1.00 0.00 O ATOM 0 H GLU A 20 -9.704 -10.389 6.726 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.692 -8.947 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.695 -8.700 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.935 -7.568 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.418 -6.907 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.615 -8.309 7.282 1.00 0.00 H new ATOM 287 N THR A 21 -10.977 -9.934 2.834 1.00 0.00 N ATOM 288 CA THR A 21 -10.869 -10.747 1.635 1.00 0.00 C ATOM 289 C THR A 21 -10.472 -9.881 0.438 1.00 0.00 C ATOM 290 O THR A 21 -10.609 -10.302 -0.710 1.00 0.00 O ATOM 291 CB THR A 21 -12.197 -11.481 1.440 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.184 -10.492 1.717 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.435 -12.553 2.505 1.00 0.00 C ATOM 0 H THR A 21 -11.419 -9.025 2.695 1.00 0.00 H new ATOM 0 HA THR A 21 -10.080 -11.493 1.733 1.00 0.00 H new ATOM 0 HB THR A 21 -12.216 -11.940 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.077 -10.882 1.612 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.391 -13.043 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.634 -13.291 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.450 -12.089 3.491 1.00 0.00 H new ATOM 301 N ASN A 22 -9.988 -8.687 0.746 1.00 0.00 N ATOM 302 CA ASN A 22 -9.570 -7.758 -0.290 1.00 0.00 C ATOM 303 C ASN A 22 -8.220 -7.148 0.092 1.00 0.00 C ATOM 304 O ASN A 22 -7.876 -7.082 1.271 1.00 0.00 O ATOM 305 CB ASN A 22 -10.577 -6.617 -0.446 1.00 0.00 C ATOM 306 CG ASN A 22 -11.958 -7.153 -0.831 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.326 -7.215 -1.992 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.698 -7.536 0.205 1.00 0.00 N ATOM 0 H ASN A 22 -9.876 -8.341 1.699 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.501 -8.309 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.647 -6.059 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.228 -5.921 -1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.635 -7.909 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.329 -7.457 1.152 1.00 0.00 H new ATOM 315 N CYS A 23 -7.491 -6.719 -0.927 1.00 0.00 N ATOM 316 CA CYS A 23 -6.186 -6.116 -0.713 1.00 0.00 C ATOM 317 C CYS A 23 -6.241 -4.666 -1.199 1.00 0.00 C ATOM 318 O CYS A 23 -6.790 -4.385 -2.263 1.00 0.00 O ATOM 319 CB CYS A 23 -5.077 -6.909 -1.407 1.00 0.00 C ATOM 320 SG CYS A 23 -5.053 -8.697 -1.018 1.00 0.00 S ATOM 0 H CYS A 23 -7.779 -6.777 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.944 -6.133 0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.183 -6.787 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.114 -6.478 -1.131 1.00 0.00 H new ATOM 325 N TYR A 24 -5.664 -3.785 -0.395 1.00 0.00 N ATOM 326 CA TYR A 24 -5.640 -2.371 -0.730 1.00 0.00 C ATOM 327 C TYR A 24 -4.207 -1.885 -0.956 1.00 0.00 C ATOM 328 O TYR A 24 -3.265 -2.436 -0.390 1.00 0.00 O ATOM 329 CB TYR A 24 -6.228 -1.641 0.479 1.00 0.00 C ATOM 330 CG TYR A 24 -5.239 -1.447 1.630 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.428 -0.330 1.661 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.158 -2.387 2.637 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.497 -0.147 2.744 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.226 -2.204 3.720 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.442 -1.093 3.720 1.00 0.00 C ATOM 336 OH TYR A 24 -2.563 -0.919 4.743 1.00 0.00 O ATOM 0 H TYR A 24 -5.210 -4.023 0.487 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.202 -2.184 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.593 -0.665 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.090 -2.200 0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.492 0.406 0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.793 -3.260 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.857 0.722 2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.152 -2.933 4.514 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.791 -1.527 5.477 1.00 0.00 H new ATOM 346 N LYS A 25 -4.088 -0.859 -1.786 1.00 0.00 N ATOM 347 CA LYS A 25 -2.786 -0.293 -2.094 1.00 0.00 C ATOM 348 C LYS A 25 -2.881 1.234 -2.073 1.00 0.00 C ATOM 349 O LYS A 25 -3.597 1.826 -2.878 1.00 0.00 O ATOM 350 CB LYS A 25 -2.255 -0.858 -3.413 1.00 0.00 C ATOM 351 CG LYS A 25 -1.056 -0.049 -3.912 1.00 0.00 C ATOM 352 CD LYS A 25 -0.220 -0.863 -4.902 1.00 0.00 C ATOM 353 CE LYS A 25 -1.065 -1.312 -6.095 1.00 0.00 C ATOM 354 NZ LYS A 25 -0.198 -1.685 -7.235 1.00 0.00 N ATOM 0 H LYS A 25 -4.872 -0.405 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.057 -0.578 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.964 -1.899 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.045 -0.844 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.404 0.866 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.436 0.249 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.620 -0.264 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.198 -1.735 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.685 -2.162 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.741 -0.510 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.775 -1.774 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.524 -0.950 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.267 -2.593 -7.035 1.00 0.00 H new ATOM 368 N LYS A 26 -2.147 1.828 -1.143 1.00 0.00 N ATOM 369 CA LYS A 26 -2.139 3.274 -1.007 1.00 0.00 C ATOM 370 C LYS A 26 -0.782 3.818 -1.460 1.00 0.00 C ATOM 371 O LYS A 26 0.255 3.217 -1.184 1.00 0.00 O ATOM 372 CB LYS A 26 -2.519 3.680 0.419 1.00 0.00 C ATOM 373 CG LYS A 26 -3.078 5.104 0.453 1.00 0.00 C ATOM 374 CD LYS A 26 -3.061 5.666 1.876 1.00 0.00 C ATOM 375 CE LYS A 26 -3.207 4.547 2.909 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.409 3.731 2.624 1.00 0.00 N ATOM 0 H LYS A 26 -1.554 1.334 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.894 3.721 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.260 2.985 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.644 3.613 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.489 5.746 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.098 5.107 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.129 6.204 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.871 6.385 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.319 3.914 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.279 4.975 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.167 2.722 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.152 3.955 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.753 3.943 1.666 1.00 0.00 H new ATOM 390 N TRP A 27 -0.834 4.948 -2.149 1.00 0.00 N ATOM 391 CA TRP A 27 0.378 5.579 -2.643 1.00 0.00 C ATOM 392 C TRP A 27 0.059 7.046 -2.942 1.00 0.00 C ATOM 393 O TRP A 27 -1.033 7.365 -3.410 1.00 0.00 O ATOM 394 CB TRP A 27 0.932 4.829 -3.856 1.00 0.00 C ATOM 395 CG TRP A 27 0.099 5.002 -5.128 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.279 5.888 -6.118 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.058 4.230 -5.510 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.674 5.743 -7.105 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.513 4.703 -6.724 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.700 3.166 -4.851 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.628 4.173 -7.385 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.813 2.648 -5.525 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.283 3.113 -6.747 1.00 0.00 C ATOM 0 H TRP A 27 -1.696 5.443 -2.377 1.00 0.00 H new ATOM 0 HA TRP A 27 1.167 5.540 -1.892 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.948 5.173 -4.050 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.995 3.767 -3.617 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.070 6.623 -6.140 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.749 6.297 -7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.362 2.779 -3.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.964 4.561 -8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.344 1.829 -5.062 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.150 2.658 -7.203 1.00 0.00 H new ATOM 414 N TRP A 28 1.033 7.899 -2.660 1.00 0.00 N ATOM 415 CA TRP A 28 0.870 9.324 -2.892 1.00 0.00 C ATOM 416 C TRP A 28 2.263 9.950 -2.989 1.00 0.00 C ATOM 417 O TRP A 28 3.263 9.292 -2.707 1.00 0.00 O ATOM 418 CB TRP A 28 0.002 9.961 -1.805 1.00 0.00 C ATOM 419 CG TRP A 28 0.629 9.927 -0.410 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.321 10.894 0.208 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.591 8.826 0.523 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.731 10.498 1.465 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.273 9.201 1.662 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.000 7.555 0.406 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.428 8.362 2.773 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.165 6.729 1.525 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.848 7.092 2.680 1.00 0.00 C ATOM 0 H TRP A 28 1.938 7.631 -2.273 1.00 0.00 H new ATOM 0 HA TRP A 28 0.342 9.504 -3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.200 10.997 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.958 9.447 -1.773 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.531 11.862 -0.223 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.271 11.055 2.127 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.538 7.241 -0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.966 8.678 3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.269 5.741 1.488 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.931 6.397 3.502 1.00 0.00 H new ATOM 438 N SER A 29 2.283 11.213 -3.389 1.00 0.00 N ATOM 439 CA SER A 29 3.536 11.934 -3.527 1.00 0.00 C ATOM 440 C SER A 29 3.704 12.918 -2.367 1.00 0.00 C ATOM 441 O SER A 29 2.720 13.364 -1.780 1.00 0.00 O ATOM 442 CB SER A 29 3.602 12.675 -4.864 1.00 0.00 C ATOM 443 OG SER A 29 4.890 13.237 -5.100 1.00 0.00 O ATOM 0 H SER A 29 1.451 11.755 -3.622 1.00 0.00 H new ATOM 0 HA SER A 29 4.351 11.210 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.353 11.987 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.853 13.467 -4.877 1.00 0.00 H new ATOM 0 HG SER A 29 4.892 13.700 -5.964 1.00 0.00 H new ATOM 449 N ASP A 30 4.958 13.227 -2.071 1.00 0.00 N ATOM 450 CA ASP A 30 5.267 14.149 -0.992 1.00 0.00 C ATOM 451 C ASP A 30 6.542 14.922 -1.337 1.00 0.00 C ATOM 452 O ASP A 30 7.266 14.551 -2.259 1.00 0.00 O ATOM 453 CB ASP A 30 5.509 13.400 0.320 1.00 0.00 C ATOM 454 CG ASP A 30 5.251 14.217 1.588 1.00 0.00 C ATOM 455 OD1 ASP A 30 4.059 14.475 1.864 1.00 0.00 O ATOM 456 OD2 ASP A 30 6.250 14.565 2.253 1.00 0.00 O ATOM 0 H ASP A 30 5.772 12.855 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 30 4.419 14.823 -0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.871 12.516 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.541 13.049 0.336 1.00 0.00 H new ATOM 461 N HIS A 31 6.776 15.982 -0.578 1.00 0.00 N ATOM 462 CA HIS A 31 7.950 16.811 -0.792 1.00 0.00 C ATOM 463 C HIS A 31 9.210 16.017 -0.440 1.00 0.00 C ATOM 464 O HIS A 31 10.323 16.451 -0.731 1.00 0.00 O ATOM 465 CB HIS A 31 7.839 18.123 -0.011 1.00 0.00 C ATOM 466 CG HIS A 31 6.447 18.707 0.013 1.00 0.00 C ATOM 467 ND1 HIS A 31 5.930 19.456 -1.030 1.00 0.00 N ATOM 468 CD2 HIS A 31 5.470 18.643 0.962 1.00 0.00 C ATOM 469 CE1 HIS A 31 4.698 19.822 -0.711 1.00 0.00 C ATOM 470 NE2 HIS A 31 4.414 19.318 0.525 1.00 0.00 N ATOM 0 H HIS A 31 6.173 16.286 0.186 1.00 0.00 H new ATOM 0 HA HIS A 31 8.018 17.087 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.168 17.953 1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.521 18.853 -0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.543 18.130 1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.034 20.416 -1.322 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.536 19.440 1.029 1.00 0.00 H new ATOM 479 N ARG A 32 8.991 14.867 0.182 1.00 0.00 N ATOM 480 CA ARG A 32 10.095 14.008 0.576 1.00 0.00 C ATOM 481 C ARG A 32 10.228 12.835 -0.396 1.00 0.00 C ATOM 482 O ARG A 32 11.321 12.303 -0.587 1.00 0.00 O ATOM 483 CB ARG A 32 9.892 13.467 1.993 1.00 0.00 C ATOM 484 CG ARG A 32 11.136 12.720 2.477 1.00 0.00 C ATOM 485 CD ARG A 32 12.182 13.693 3.024 1.00 0.00 C ATOM 486 NE ARG A 32 12.975 14.262 1.912 1.00 0.00 N ATOM 487 CZ ARG A 32 13.721 15.371 2.011 1.00 0.00 C ATOM 488 NH1 ARG A 32 13.780 16.037 3.172 1.00 0.00 N ATOM 489 NH2 ARG A 32 14.407 15.814 0.948 1.00 0.00 N ATOM 0 H ARG A 32 8.066 14.511 0.423 1.00 0.00 H new ATOM 0 HA ARG A 32 11.006 14.607 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.670 14.290 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.032 12.798 2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.857 12.006 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.563 12.146 1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.691 14.493 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.840 13.177 3.724 1.00 0.00 H new ATOM 0 HE ARG A 32 12.953 13.780 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.257 15.700 3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.348 16.881 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.361 15.307 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.975 16.658 1.023 1.00 0.00 H new ATOM 503 N GLY A 33 9.101 12.466 -0.986 1.00 0.00 N ATOM 504 CA GLY A 33 9.078 11.365 -1.935 1.00 0.00 C ATOM 505 C GLY A 33 7.680 10.750 -2.028 1.00 0.00 C ATOM 506 O GLY A 33 6.735 11.254 -1.422 1.00 0.00 O ATOM 0 H GLY A 33 8.197 12.910 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.389 11.721 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.795 10.603 -1.630 1.00 0.00 H new ATOM 510 N THR A 34 7.593 9.671 -2.791 1.00 0.00 N ATOM 511 CA THR A 34 6.326 8.982 -2.971 1.00 0.00 C ATOM 512 C THR A 34 6.128 7.934 -1.874 1.00 0.00 C ATOM 513 O THR A 34 6.868 6.954 -1.805 1.00 0.00 O ATOM 514 CB THR A 34 6.304 8.394 -4.383 1.00 0.00 C ATOM 515 OG1 THR A 34 6.022 9.512 -5.220 1.00 0.00 O ATOM 516 CG2 THR A 34 5.120 7.452 -4.607 1.00 0.00 C ATOM 0 H THR A 34 8.379 9.257 -3.292 1.00 0.00 H new ATOM 0 HA THR A 34 5.485 9.669 -2.876 1.00 0.00 H new ATOM 0 HB THR A 34 7.234 7.857 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.991 9.221 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.152 7.063 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.175 6.624 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.188 7.997 -4.456 1.00 0.00 H new ATOM 524 N ILE A 35 5.125 8.177 -1.042 1.00 0.00 N ATOM 525 CA ILE A 35 4.820 7.267 0.049 1.00 0.00 C ATOM 526 C ILE A 35 3.828 6.209 -0.438 1.00 0.00 C ATOM 527 O ILE A 35 2.840 6.535 -1.094 1.00 0.00 O ATOM 528 CB ILE A 35 4.339 8.044 1.276 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.380 9.075 1.715 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.959 7.093 2.413 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.013 9.681 3.072 1.00 0.00 C ATOM 0 H ILE A 35 4.513 8.991 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 35 5.719 6.739 0.368 1.00 0.00 H new ATOM 0 HB ILE A 35 3.438 8.593 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.361 8.603 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.453 9.865 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.621 7.671 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.158 6.432 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.827 6.498 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.769 10.411 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.043 10.173 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.965 8.892 3.822 1.00 0.00 H new ATOM 543 N ILE A 36 4.125 4.964 -0.096 1.00 0.00 N ATOM 544 CA ILE A 36 3.271 3.856 -0.490 1.00 0.00 C ATOM 545 C ILE A 36 2.923 3.023 0.745 1.00 0.00 C ATOM 546 O ILE A 36 3.811 2.508 1.421 1.00 0.00 O ATOM 547 CB ILE A 36 3.925 3.048 -1.613 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.585 3.971 -2.639 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.919 2.096 -2.262 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.238 3.163 -3.763 1.00 0.00 C ATOM 0 H ILE A 36 4.945 4.698 0.449 1.00 0.00 H new ATOM 0 HA ILE A 36 2.332 4.226 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 36 4.713 2.434 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.840 4.647 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.336 4.590 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.410 1.534 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.536 1.404 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.093 2.670 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.700 3.843 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.000 2.506 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.480 2.564 -4.268 1.00 0.00 H new ATOM 562 N GLU A 37 1.627 2.916 1.000 1.00 0.00 N ATOM 563 CA GLU A 37 1.150 2.154 2.142 1.00 0.00 C ATOM 564 C GLU A 37 0.073 1.159 1.703 1.00 0.00 C ATOM 565 O GLU A 37 -1.013 1.559 1.287 1.00 0.00 O ATOM 566 CB GLU A 37 0.625 3.081 3.240 1.00 0.00 C ATOM 567 CG GLU A 37 -0.240 2.312 4.240 1.00 0.00 C ATOM 568 CD GLU A 37 -0.305 3.042 5.583 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.123 4.215 5.613 1.00 0.00 O ATOM 570 OE2 GLU A 37 -0.782 2.409 6.550 1.00 0.00 O ATOM 0 H GLU A 37 0.893 3.344 0.436 1.00 0.00 H new ATOM 0 HA GLU A 37 1.988 1.594 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.463 3.545 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.042 3.886 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.246 2.191 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.168 1.312 4.385 1.00 0.00 H new ATOM 577 N ARG A 38 0.411 -0.117 1.813 1.00 0.00 N ATOM 578 CA ARG A 38 -0.513 -1.172 1.433 1.00 0.00 C ATOM 579 C ARG A 38 -0.684 -2.167 2.581 1.00 0.00 C ATOM 580 O ARG A 38 0.155 -2.234 3.479 1.00 0.00 O ATOM 581 CB ARG A 38 -0.019 -1.916 0.191 1.00 0.00 C ATOM 582 CG ARG A 38 0.602 -0.948 -0.818 1.00 0.00 C ATOM 583 CD ARG A 38 1.166 -1.701 -2.025 1.00 0.00 C ATOM 584 NE ARG A 38 1.725 -0.741 -3.004 1.00 0.00 N ATOM 585 CZ ARG A 38 2.509 -1.089 -4.033 1.00 0.00 C ATOM 586 NH1 ARG A 38 2.833 -2.376 -4.224 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.970 -0.151 -4.871 1.00 0.00 N ATOM 0 H ARG A 38 1.313 -0.444 2.160 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.472 -0.706 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.717 -2.666 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.850 -2.447 -0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.150 -0.232 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.396 -0.377 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.941 -2.396 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.381 -2.295 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 38 1.499 0.247 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.482 -3.090 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.430 -2.641 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.724 0.828 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.567 -0.416 -5.654 1.00 0.00 H new ATOM 601 N GLY A 39 -1.774 -2.917 2.516 1.00 0.00 N ATOM 602 CA GLY A 39 -2.065 -3.906 3.540 1.00 0.00 C ATOM 603 C GLY A 39 -3.304 -4.726 3.173 1.00 0.00 C ATOM 604 O GLY A 39 -3.796 -4.645 2.049 1.00 0.00 O ATOM 0 H GLY A 39 -2.467 -2.860 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.209 -4.569 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.224 -3.408 4.497 1.00 0.00 H new ATOM 608 N CYS A 40 -3.773 -5.496 4.144 1.00 0.00 N ATOM 609 CA CYS A 40 -4.945 -6.329 3.938 1.00 0.00 C ATOM 610 C CYS A 40 -6.191 -5.476 4.185 1.00 0.00 C ATOM 611 O CYS A 40 -6.155 -4.532 4.973 1.00 0.00 O ATOM 612 CB CYS A 40 -4.919 -7.572 4.830 1.00 0.00 C ATOM 613 SG CYS A 40 -3.858 -8.933 4.219 1.00 0.00 S ATOM 0 H CYS A 40 -3.362 -5.560 5.075 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.956 -6.698 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.577 -7.282 5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.937 -7.945 4.939 1.00 0.00 H new ATOM 618 N GLY A 41 -7.263 -5.839 3.497 1.00 0.00 N ATOM 619 CA GLY A 41 -8.518 -5.118 3.631 1.00 0.00 C ATOM 620 C GLY A 41 -8.668 -4.067 2.530 1.00 0.00 C ATOM 621 O GLY A 41 -7.915 -4.071 1.557 1.00 0.00 O ATOM 0 H GLY A 41 -7.289 -6.623 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.351 -5.819 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.562 -4.635 4.607 1.00 0.00 H new ATOM 625 N CYS A 42 -9.644 -3.192 2.720 1.00 0.00 N ATOM 626 CA CYS A 42 -9.902 -2.137 1.755 1.00 0.00 C ATOM 627 C CYS A 42 -10.375 -0.896 2.515 1.00 0.00 C ATOM 628 O CYS A 42 -11.561 -0.571 2.503 1.00 0.00 O ATOM 629 CB CYS A 42 -10.912 -2.576 0.693 1.00 0.00 C ATOM 630 SG CYS A 42 -11.418 -1.261 -0.475 1.00 0.00 S ATOM 0 H CYS A 42 -10.266 -3.192 3.528 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.985 -1.903 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.485 -3.402 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.801 -2.960 1.194 1.00 0.00 H new ATOM 635 N PRO A 43 -9.422 -0.235 3.157 1.00 0.00 N ATOM 636 CA PRO A 43 -9.650 0.977 3.946 1.00 0.00 C ATOM 637 C PRO A 43 -10.000 2.158 3.039 1.00 0.00 C ATOM 638 O PRO A 43 -10.053 2.013 1.818 1.00 0.00 O ATOM 639 CB PRO A 43 -8.306 1.204 4.642 1.00 0.00 C ATOM 640 CG PRO A 43 -7.312 0.578 3.708 1.00 0.00 C ATOM 641 CD PRO A 43 -8.013 -0.634 3.162 1.00 0.00 C ATOM 0 HA PRO A 43 -10.481 0.881 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.105 2.265 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.281 0.736 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.030 1.266 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.396 0.304 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.662 -0.884 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.846 -1.511 3.787 1.00 0.00 H new ATOM 649 N LYS A 44 -10.229 3.301 3.669 1.00 0.00 N ATOM 650 CA LYS A 44 -10.572 4.506 2.933 1.00 0.00 C ATOM 651 C LYS A 44 -9.457 5.539 3.106 1.00 0.00 C ATOM 652 O LYS A 44 -8.918 5.699 4.200 1.00 0.00 O ATOM 653 CB LYS A 44 -11.952 5.015 3.352 1.00 0.00 C ATOM 654 CG LYS A 44 -13.051 4.042 2.917 1.00 0.00 C ATOM 655 CD LYS A 44 -13.380 4.214 1.433 1.00 0.00 C ATOM 656 CE LYS A 44 -14.192 5.489 1.196 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.421 5.696 -0.251 1.00 0.00 N ATOM 0 H LYS A 44 -10.184 3.418 4.681 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.647 4.293 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.983 5.144 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.132 5.994 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.730 3.018 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.948 4.210 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.457 4.253 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.942 3.350 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.148 5.420 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.664 6.346 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.973 6.565 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.506 5.783 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.944 4.885 -0.639 1.00 0.00 H new ATOM 671 N VAL A 45 -9.144 6.214 2.010 1.00 0.00 N ATOM 672 CA VAL A 45 -8.103 7.228 2.027 1.00 0.00 C ATOM 673 C VAL A 45 -8.726 8.598 1.752 1.00 0.00 C ATOM 674 O VAL A 45 -9.857 8.685 1.276 1.00 0.00 O ATOM 675 CB VAL A 45 -7.000 6.862 1.032 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.441 5.467 1.321 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.506 6.963 -0.409 1.00 0.00 C ATOM 0 H VAL A 45 -9.593 6.079 1.104 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.633 7.276 3.009 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.188 7.579 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.659 5.232 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.025 5.443 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.241 4.731 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.703 6.698 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.344 6.280 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.833 7.983 -0.609 1.00 0.00 H new ATOM 687 N LYS A 46 -7.961 9.634 2.063 1.00 0.00 N ATOM 688 CA LYS A 46 -8.424 10.995 1.856 1.00 0.00 C ATOM 689 C LYS A 46 -8.105 11.425 0.422 1.00 0.00 C ATOM 690 O LYS A 46 -7.393 10.724 -0.295 1.00 0.00 O ATOM 691 CB LYS A 46 -7.843 11.927 2.921 1.00 0.00 C ATOM 692 CG LYS A 46 -7.799 11.239 4.287 1.00 0.00 C ATOM 693 CD LYS A 46 -7.268 12.189 5.362 1.00 0.00 C ATOM 694 CE LYS A 46 -5.948 12.828 4.927 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.255 13.428 6.089 1.00 0.00 N ATOM 0 H LYS A 46 -7.023 9.558 2.457 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.506 11.051 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.838 12.234 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.446 12.833 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.798 10.898 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.164 10.354 4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.005 12.967 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.122 11.643 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.309 12.077 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.138 13.593 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.361 13.857 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.860 14.159 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.056 12.690 6.794 1.00 0.00 H new ATOM 709 N PRO A 47 -8.647 12.574 0.048 1.00 0.00 N ATOM 710 CA PRO A 47 -8.477 13.176 -1.275 1.00 0.00 C ATOM 711 C PRO A 47 -6.991 13.420 -1.548 1.00 0.00 C ATOM 712 O PRO A 47 -6.273 13.924 -0.685 1.00 0.00 O ATOM 713 CB PRO A 47 -9.211 14.514 -1.162 1.00 0.00 C ATOM 714 CG PRO A 47 -10.214 14.281 -0.071 1.00 0.00 C ATOM 715 CD PRO A 47 -9.495 13.401 0.912 1.00 0.00 C ATOM 0 HA PRO A 47 -8.855 12.548 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.528 15.325 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.696 14.785 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.527 15.218 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.113 13.798 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.905 13.983 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.189 12.796 1.496 1.00 0.00 H new ATOM 723 N GLY A 48 -6.573 13.051 -2.750 1.00 0.00 N ATOM 724 CA GLY A 48 -5.185 13.223 -3.145 1.00 0.00 C ATOM 725 C GLY A 48 -4.427 11.896 -3.077 1.00 0.00 C ATOM 726 O GLY A 48 -3.548 11.636 -3.897 1.00 0.00 O ATOM 0 H GLY A 48 -7.171 12.634 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.138 13.621 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.706 13.954 -2.493 1.00 0.00 H new ATOM 730 N VAL A 49 -4.794 11.092 -2.090 1.00 0.00 N ATOM 731 CA VAL A 49 -4.159 9.799 -1.903 1.00 0.00 C ATOM 732 C VAL A 49 -4.776 8.788 -2.872 1.00 0.00 C ATOM 733 O VAL A 49 -5.970 8.847 -3.159 1.00 0.00 O ATOM 734 CB VAL A 49 -4.270 9.367 -0.439 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.220 8.309 -0.098 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.159 10.572 0.497 1.00 0.00 C ATOM 0 H VAL A 49 -5.523 11.311 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.095 9.861 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.254 8.920 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.321 8.020 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.366 7.434 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.224 8.718 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.241 10.238 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.196 11.060 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.961 11.277 0.279 1.00 0.00 H new ATOM 746 N ASN A 50 -3.933 7.884 -3.350 1.00 0.00 N ATOM 747 CA ASN A 50 -4.380 6.862 -4.281 1.00 0.00 C ATOM 748 C ASN A 50 -4.640 5.562 -3.518 1.00 0.00 C ATOM 749 O ASN A 50 -3.874 5.197 -2.627 1.00 0.00 O ATOM 750 CB ASN A 50 -3.316 6.582 -5.344 1.00 0.00 C ATOM 751 CG ASN A 50 -3.304 7.680 -6.410 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.114 7.705 -7.322 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.343 8.584 -6.244 1.00 0.00 N ATOM 0 H ASN A 50 -2.943 7.838 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.288 7.221 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.335 6.516 -4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.510 5.617 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.251 9.358 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.698 8.504 -5.458 1.00 0.00 H new ATOM 760 N LEU A 51 -5.722 4.897 -3.896 1.00 0.00 N ATOM 761 CA LEU A 51 -6.092 3.645 -3.259 1.00 0.00 C ATOM 762 C LEU A 51 -6.595 2.666 -4.321 1.00 0.00 C ATOM 763 O LEU A 51 -7.311 3.057 -5.242 1.00 0.00 O ATOM 764 CB LEU A 51 -7.093 3.894 -2.129 1.00 0.00 C ATOM 765 CG LEU A 51 -7.697 2.647 -1.480 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.602 1.673 -1.041 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.625 3.025 -0.324 1.00 0.00 C ATOM 0 H LEU A 51 -6.354 5.202 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.223 3.186 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.597 4.479 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.906 4.506 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.305 2.134 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.058 0.795 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.018 1.367 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.949 2.162 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.041 2.120 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.061 3.573 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.435 3.651 -0.698 1.00 0.00 H new ATOM 779 N ASN A 52 -6.200 1.412 -4.158 1.00 0.00 N ATOM 780 CA ASN A 52 -6.601 0.373 -5.092 1.00 0.00 C ATOM 781 C ASN A 52 -6.957 -0.896 -4.315 1.00 0.00 C ATOM 782 O ASN A 52 -6.107 -1.472 -3.639 1.00 0.00 O ATOM 783 CB ASN A 52 -5.466 0.033 -6.060 1.00 0.00 C ATOM 784 CG ASN A 52 -6.003 -0.658 -7.314 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.389 -0.027 -8.285 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.006 -1.986 -7.241 1.00 0.00 N ATOM 0 H ASN A 52 -5.606 1.092 -3.393 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.458 0.741 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.938 0.944 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.743 -0.615 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.345 -2.539 -8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.669 -2.451 -6.398 1.00 0.00 H new ATOM 793 N CYS A 53 -8.215 -1.294 -4.438 1.00 0.00 N ATOM 794 CA CYS A 53 -8.693 -2.484 -3.756 1.00 0.00 C ATOM 795 C CYS A 53 -8.965 -3.563 -4.806 1.00 0.00 C ATOM 796 O CYS A 53 -9.398 -3.259 -5.917 1.00 0.00 O ATOM 797 CB CYS A 53 -9.931 -2.190 -2.906 1.00 0.00 C ATOM 798 SG CYS A 53 -9.692 -0.909 -1.621 1.00 0.00 S ATOM 0 H CYS A 53 -8.917 -0.813 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.932 -2.838 -3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.741 -1.877 -3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.251 -3.114 -2.424 1.00 0.00 H new ATOM 803 N CYS A 54 -8.701 -4.802 -4.418 1.00 0.00 N ATOM 804 CA CYS A 54 -8.912 -5.928 -5.312 1.00 0.00 C ATOM 805 C CYS A 54 -9.184 -7.171 -4.462 1.00 0.00 C ATOM 806 O CYS A 54 -8.902 -7.183 -3.265 1.00 0.00 O ATOM 807 CB CYS A 54 -7.725 -6.130 -6.256 1.00 0.00 C ATOM 808 SG CYS A 54 -6.085 -5.817 -5.506 1.00 0.00 S ATOM 0 H CYS A 54 -8.343 -5.051 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.772 -5.732 -5.953 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.748 -7.153 -6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.847 -5.472 -7.116 1.00 0.00 H new ATOM 813 N ARG A 55 -9.729 -8.187 -5.116 1.00 0.00 N ATOM 814 CA ARG A 55 -10.042 -9.432 -4.436 1.00 0.00 C ATOM 815 C ARG A 55 -9.138 -10.557 -4.944 1.00 0.00 C ATOM 816 O ARG A 55 -9.611 -11.654 -5.238 1.00 0.00 O ATOM 817 CB ARG A 55 -11.505 -9.825 -4.652 1.00 0.00 C ATOM 818 CG ARG A 55 -12.448 -8.777 -4.059 1.00 0.00 C ATOM 819 CD ARG A 55 -13.752 -8.699 -4.855 1.00 0.00 C ATOM 820 NE ARG A 55 -14.816 -8.089 -4.027 1.00 0.00 N ATOM 821 CZ ARG A 55 -16.079 -7.913 -4.436 1.00 0.00 C ATOM 822 NH1 ARG A 55 -16.445 -8.300 -5.666 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.977 -7.350 -3.616 1.00 0.00 N ATOM 0 H ARG A 55 -9.961 -8.173 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.872 -9.279 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.702 -9.935 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.697 -10.794 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.666 -9.025 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.960 -7.802 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.601 -8.109 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.054 -9.697 -5.172 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.572 -7.783 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.762 -8.728 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.407 -8.166 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.699 -7.055 -2.680 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.939 -7.216 -3.928 1.00 0.00 H new ATOM 837 N THR A 56 -7.853 -10.246 -5.033 1.00 0.00 N ATOM 838 CA THR A 56 -6.879 -11.217 -5.501 1.00 0.00 C ATOM 839 C THR A 56 -5.654 -11.228 -4.585 1.00 0.00 C ATOM 840 O THR A 56 -5.248 -10.186 -4.073 1.00 0.00 O ATOM 841 CB THR A 56 -6.545 -10.887 -6.958 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.608 -9.464 -7.015 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.635 -11.348 -7.927 1.00 0.00 C ATOM 0 H THR A 56 -7.464 -9.335 -4.789 1.00 0.00 H new ATOM 0 HA THR A 56 -7.281 -12.229 -5.465 1.00 0.00 H new ATOM 0 HB THR A 56 -5.598 -11.354 -7.228 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.403 -9.164 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.349 -11.090 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.759 -12.428 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.575 -10.855 -7.678 1.00 0.00 H new ATOM 851 N ASP A 57 -5.100 -12.418 -4.405 1.00 0.00 N ATOM 852 CA ASP A 57 -3.930 -12.579 -3.558 1.00 0.00 C ATOM 853 C ASP A 57 -2.774 -11.757 -4.132 1.00 0.00 C ATOM 854 O ASP A 57 -2.585 -11.708 -5.347 1.00 0.00 O ATOM 855 CB ASP A 57 -3.487 -14.042 -3.503 1.00 0.00 C ATOM 856 CG ASP A 57 -4.526 -15.011 -2.934 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.622 -15.074 -1.690 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.201 -15.667 -3.757 1.00 0.00 O ATOM 0 H ASP A 57 -5.440 -13.280 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.191 -12.243 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.225 -14.365 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.581 -14.109 -2.901 1.00 0.00 H new ATOM 863 N ARG A 58 -2.031 -11.131 -3.231 1.00 0.00 N ATOM 864 CA ARG A 58 -0.899 -10.313 -3.633 1.00 0.00 C ATOM 865 C ARG A 58 -1.252 -9.490 -4.873 1.00 0.00 C ATOM 866 O ARG A 58 -0.422 -9.316 -5.764 1.00 0.00 O ATOM 867 CB ARG A 58 0.326 -11.179 -3.935 1.00 0.00 C ATOM 868 CG ARG A 58 0.443 -12.331 -2.936 1.00 0.00 C ATOM 869 CD ARG A 58 1.869 -12.885 -2.903 1.00 0.00 C ATOM 870 NE ARG A 58 2.087 -13.648 -1.653 1.00 0.00 N ATOM 871 CZ ARG A 58 3.291 -14.036 -1.211 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.392 -13.736 -1.913 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.393 -14.724 -0.066 1.00 0.00 N ATOM 0 H ARG A 58 -2.191 -11.174 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.662 -9.645 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.254 -11.577 -4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.227 -10.567 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.160 -11.985 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.253 -13.125 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.038 -13.529 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.587 -12.068 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 58 1.270 -13.893 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.314 -13.212 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.308 -14.032 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.555 -14.952 0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.309 -15.020 0.271 1.00 0.00 H new ATOM 887 N CYS A 59 -2.485 -9.004 -4.890 1.00 0.00 N ATOM 888 CA CYS A 59 -2.958 -8.203 -6.007 1.00 0.00 C ATOM 889 C CYS A 59 -2.570 -6.746 -5.750 1.00 0.00 C ATOM 890 O CYS A 59 -2.441 -5.960 -6.688 1.00 0.00 O ATOM 891 CB CYS A 59 -4.464 -8.364 -6.220 1.00 0.00 C ATOM 892 SG CYS A 59 -5.508 -7.620 -4.914 1.00 0.00 S ATOM 0 H CYS A 59 -3.170 -9.149 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.489 -8.546 -6.929 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.731 -7.917 -7.178 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.695 -9.427 -6.289 1.00 0.00 H new ATOM 897 N ASN A 60 -2.395 -6.429 -4.476 1.00 0.00 N ATOM 898 CA ASN A 60 -2.025 -5.079 -4.084 1.00 0.00 C ATOM 899 C ASN A 60 -0.504 -4.992 -3.946 1.00 0.00 C ATOM 900 O ASN A 60 0.004 -4.401 -2.994 1.00 0.00 O ATOM 901 CB ASN A 60 -2.644 -4.707 -2.736 1.00 0.00 C ATOM 902 CG ASN A 60 -2.069 -5.571 -1.611 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.809 -6.752 -1.772 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.886 -4.919 -0.467 1.00 0.00 N ATOM 0 H ASN A 60 -2.502 -7.084 -3.701 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.390 -4.394 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.456 -3.655 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.726 -4.835 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.507 -5.408 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.125 -3.930 -0.400 1.00 0.00 H new ATOM 911 N ASN A 61 0.181 -5.590 -4.910 1.00 0.00 N ATOM 912 CA ASN A 61 1.634 -5.587 -4.908 1.00 0.00 C ATOM 913 C ASN A 61 2.139 -4.439 -5.784 1.00 0.00 C ATOM 914 O ASN A 61 3.372 -4.372 -5.977 1.00 0.00 O ATOM 915 CB ASN A 61 2.188 -6.895 -5.477 1.00 0.00 C ATOM 916 CG ASN A 61 2.389 -6.792 -6.990 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.386 -6.285 -7.477 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.389 -7.300 -7.704 1.00 0.00 N ATOM 919 OXT ASN A 61 1.281 -3.653 -6.240 1.00 0.00 O ATOM 0 H ASN A 61 -0.243 -6.080 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 61 1.969 -5.471 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.137 -7.132 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.503 -7.713 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.428 -7.280 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.583 -7.710 -7.233 1.00 0.00 H new TER 926 ASN A 61