USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= 0.0159 K(o=1.5,f=-2.3!) USER MOD Set 1.2: B 3 U O2' : rot -42:sc= 1.5 USER MOD Set 2.1: A 59 ASN : amide:sc= -1.14 K(o=-1.5,f=-6.8!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.329 K(o=-1.5,f=-3.1) USER MOD Set 3.1: A 47 SER OG : rot -91:sc= 0.196 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -1.36 X(o=-1.2,f=-1.1) USER MOD Set 4.1: A 39 LYS NZ :NH3+ -142:sc= 0.302 (180deg=-0.122) USER MOD Set 4.2: A 40 TYR OH : rot -87:sc= 0.167 USER MOD Set 5.1: A 4 ASN : amide:sc= 0.782 K(o=1.6,f=-3.3) USER MOD Set 5.2: A 30 LYS NZ :NH3+ -172:sc= 0.797 (180deg=-0.257) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 6 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -141:sc= -0.308 (180deg=-1.18) USER MOD Single : A 15 ASN : amide:sc= 0.00248 X(o=0.0025,f=-0.072) USER MOD Single : A 16 SER OG : rot 80:sc= 0.798 USER MOD Single : A 22 ASN : amide:sc= 1.06 K(o=1.1,f=-2.3!) USER MOD Single : A 24 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.85) USER MOD Single : A 25 THR OG1 : rot -20:sc= 1.01 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.886 (180deg=0.878) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 38 SER OG : rot 170:sc= 0.00159 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 34:sc= -0.313 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 1.05 K(o=1,f=-4.1!) USER MOD Single : A 57 TYR OH : rot -9:sc= 0.177 USER MOD Single : A 74 MET CE :methyl -118:sc= -0.873 (180deg=-1.23) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0217 F(o=-0.8,f=-0.022) USER MOD Single : A 83 ASN : amide:sc= -0.0715 K(o=-0.071,f=-0.63) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 1.86 (180deg=1.79) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.171 F(o=-1.5,f=-0.17) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= 0.0298 (180deg=-0.151) USER MOD Single : A 100 SER OG : rot -32:sc= 0.0536 USER MOD Single : A 104 MET CE :methyl 161:sc= -0.0627 (180deg=-0.494) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -41:sc= 0.954 USER MOD Single : B 1 U O5' : rot 10:sc= 0.504 USER MOD Single : B 2 U O2' : rot 21:sc= 0.101 USER MOD Single : B 4 U O2' : rot 141:sc= 0.393 USER MOD Single : B 5 C O2' : rot 178:sc= 0 USER MOD Single : B 5 C O3' : rot 130:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.995 8.058 -5.475 1.00 0.00 N ATOM 2 CA ALA A 2 9.831 8.786 -4.938 1.00 0.00 C ATOM 3 C ALA A 2 10.146 9.378 -3.564 1.00 0.00 C ATOM 4 O ALA A 2 11.176 9.061 -2.972 1.00 0.00 O ATOM 5 CB ALA A 2 8.605 7.869 -4.862 1.00 0.00 C ATOM 0 HA ALA A 2 9.603 9.607 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.758 8.427 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.362 7.504 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.823 7.024 -4.209 1.00 0.00 H new ATOM 13 N SER A 3 9.261 10.242 -3.054 1.00 0.00 N ATOM 14 CA SER A 3 9.425 10.879 -1.754 1.00 0.00 C ATOM 15 C SER A 3 9.304 9.853 -0.630 1.00 0.00 C ATOM 16 O SER A 3 8.756 8.771 -0.826 1.00 0.00 O ATOM 17 CB SER A 3 8.374 11.978 -1.596 1.00 0.00 C ATOM 18 OG SER A 3 8.550 12.643 -0.363 1.00 0.00 O ATOM 0 H SER A 3 8.407 10.517 -3.539 1.00 0.00 H new ATOM 0 HA SER A 3 10.420 11.321 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.455 12.690 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.374 11.546 -1.646 1.00 0.00 H new ATOM 0 HG SER A 3 7.874 13.346 -0.271 1.00 0.00 H new ATOM 24 N ASN A 4 9.820 10.196 0.557 1.00 0.00 N ATOM 25 CA ASN A 4 9.757 9.329 1.726 1.00 0.00 C ATOM 26 C ASN A 4 8.445 9.530 2.487 1.00 0.00 C ATOM 27 O ASN A 4 8.184 8.824 3.461 1.00 0.00 O ATOM 28 CB ASN A 4 10.957 9.626 2.631 1.00 0.00 C ATOM 29 CG ASN A 4 12.287 9.258 1.990 1.00 0.00 C ATOM 30 OD1 ASN A 4 12.339 8.528 1.006 1.00 0.00 O ATOM 31 ND2 ASN A 4 13.381 9.768 2.551 1.00 0.00 N ATOM 0 H ASN A 4 10.292 11.084 0.727 1.00 0.00 H new ATOM 0 HA ASN A 4 9.792 8.289 1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.962 10.686 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.846 9.077 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.300 9.555 2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.300 10.372 3.369 1.00 0.00 H new ATOM 38 N VAL A 5 7.620 10.489 2.054 1.00 0.00 N ATOM 39 CA VAL A 5 6.391 10.828 2.752 1.00 0.00 C ATOM 40 C VAL A 5 5.221 9.984 2.261 1.00 0.00 C ATOM 41 O VAL A 5 4.999 9.859 1.059 1.00 0.00 O ATOM 42 CB VAL A 5 6.119 12.330 2.615 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.801 12.715 3.283 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.247 13.109 3.291 1.00 0.00 C ATOM 0 H VAL A 5 7.790 11.044 1.215 1.00 0.00 H new ATOM 0 HA VAL A 5 6.509 10.599 3.811 1.00 0.00 H new ATOM 0 HB VAL A 5 6.062 12.569 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.635 13.786 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.982 12.169 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.844 12.465 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.058 14.178 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.293 12.841 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.196 12.864 2.813 1.00 0.00 H new ATOM 54 N THR A 6 4.480 9.407 3.215 1.00 0.00 N ATOM 55 CA THR A 6 3.314 8.576 2.932 1.00 0.00 C ATOM 56 C THR A 6 2.242 8.730 4.012 1.00 0.00 C ATOM 57 O THR A 6 1.288 7.961 4.023 1.00 0.00 O ATOM 58 CB THR A 6 3.703 7.097 2.811 1.00 0.00 C ATOM 59 OG1 THR A 6 4.340 6.659 3.991 1.00 0.00 O ATOM 60 CG2 THR A 6 4.649 6.847 1.643 1.00 0.00 C ATOM 0 H THR A 6 4.678 9.507 4.211 1.00 0.00 H new ATOM 0 HA THR A 6 2.907 8.917 1.980 1.00 0.00 H new ATOM 0 HB THR A 6 2.779 6.544 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.669 6.513 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.897 5.787 1.596 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.166 7.148 0.713 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.561 7.427 1.783 1.00 0.00 H new ATOM 68 N ASN A 7 2.364 9.699 4.927 1.00 0.00 N ATOM 69 CA ASN A 7 1.383 9.856 5.992 1.00 0.00 C ATOM 70 C ASN A 7 0.650 11.191 5.873 1.00 0.00 C ATOM 71 O ASN A 7 1.183 12.241 6.235 1.00 0.00 O ATOM 72 CB ASN A 7 2.068 9.684 7.350 1.00 0.00 C ATOM 73 CG ASN A 7 1.072 9.618 8.497 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.109 9.919 8.337 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.545 9.222 9.674 1.00 0.00 N ATOM 0 H ASN A 7 3.126 10.377 4.947 1.00 0.00 H new ATOM 0 HA ASN A 7 0.622 9.081 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.667 8.773 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.754 10.514 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.922 9.160 10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.531 8.980 9.772 1.00 0.00 H new ATOM 82 N LYS A 8 -0.581 11.126 5.365 1.00 0.00 N ATOM 83 CA LYS A 8 -1.491 12.258 5.238 1.00 0.00 C ATOM 84 C LYS A 8 -2.915 11.761 5.473 1.00 0.00 C ATOM 85 O LYS A 8 -3.220 10.612 5.166 1.00 0.00 O ATOM 86 CB LYS A 8 -1.373 12.905 3.852 1.00 0.00 C ATOM 87 CG LYS A 8 0.014 13.523 3.661 1.00 0.00 C ATOM 88 CD LYS A 8 0.065 14.387 2.400 1.00 0.00 C ATOM 89 CE LYS A 8 -0.191 13.549 1.145 1.00 0.00 C ATOM 90 NZ LYS A 8 -0.159 14.389 -0.066 1.00 0.00 N ATOM 0 H LYS A 8 -0.983 10.254 5.020 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.232 13.017 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.553 12.157 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.138 13.673 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.268 14.129 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.761 12.732 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.679 15.180 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.039 14.870 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.561 12.764 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.160 13.055 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.335 13.798 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.893 15.122 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.774 14.840 -0.151 1.00 0.00 H new ATOM 104 N THR A 9 -3.788 12.609 6.009 1.00 0.00 N ATOM 105 CA THR A 9 -5.135 12.200 6.394 1.00 0.00 C ATOM 106 C THR A 9 -6.218 12.926 5.601 1.00 0.00 C ATOM 107 O THR A 9 -7.384 12.914 5.999 1.00 0.00 O ATOM 108 CB THR A 9 -5.333 12.376 7.901 1.00 0.00 C ATOM 109 OG1 THR A 9 -5.141 13.730 8.251 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.345 11.509 8.682 1.00 0.00 C ATOM 0 H THR A 9 -3.584 13.592 6.188 1.00 0.00 H new ATOM 0 HA THR A 9 -5.237 11.143 6.149 1.00 0.00 H new ATOM 0 HB THR A 9 -6.348 12.068 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.270 13.840 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.504 11.650 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.500 10.461 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.326 11.798 8.425 1.00 0.00 H new ATOM 118 N ASP A 10 -5.854 13.561 4.483 1.00 0.00 N ATOM 119 CA ASP A 10 -6.825 14.234 3.635 1.00 0.00 C ATOM 120 C ASP A 10 -7.809 13.213 3.059 1.00 0.00 C ATOM 121 O ASP A 10 -7.436 12.063 2.832 1.00 0.00 O ATOM 122 CB ASP A 10 -6.102 14.992 2.522 1.00 0.00 C ATOM 123 CG ASP A 10 -5.181 16.064 3.093 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.684 17.183 3.347 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.980 15.761 3.269 1.00 0.00 O ATOM 0 H ASP A 10 -4.892 13.619 4.149 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.390 14.954 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.521 14.293 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.833 15.453 1.858 1.00 0.00 H new ATOM 130 N PRO A 11 -9.065 13.616 2.820 1.00 0.00 N ATOM 131 CA PRO A 11 -10.153 12.732 2.431 1.00 0.00 C ATOM 132 C PRO A 11 -9.955 12.103 1.050 1.00 0.00 C ATOM 133 O PRO A 11 -10.784 11.299 0.624 1.00 0.00 O ATOM 134 CB PRO A 11 -11.409 13.602 2.477 1.00 0.00 C ATOM 135 CG PRO A 11 -10.873 15.006 2.201 1.00 0.00 C ATOM 136 CD PRO A 11 -9.533 14.985 2.930 1.00 0.00 C ATOM 0 HA PRO A 11 -10.215 11.878 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.139 13.295 1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.904 13.543 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.754 15.194 1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.536 15.779 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.827 15.681 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.647 15.280 3.973 1.00 0.00 H new ATOM 144 N ARG A 12 -8.873 12.452 0.346 1.00 0.00 N ATOM 145 CA ARG A 12 -8.571 11.878 -0.963 1.00 0.00 C ATOM 146 C ARG A 12 -7.150 11.323 -0.981 1.00 0.00 C ATOM 147 O ARG A 12 -6.881 10.328 -1.649 1.00 0.00 O ATOM 148 CB ARG A 12 -8.772 12.955 -2.033 1.00 0.00 C ATOM 149 CG ARG A 12 -9.398 12.398 -3.312 1.00 0.00 C ATOM 150 CD ARG A 12 -8.498 11.418 -4.071 1.00 0.00 C ATOM 151 NE ARG A 12 -9.148 10.970 -5.308 1.00 0.00 N ATOM 152 CZ ARG A 12 -9.069 11.613 -6.477 1.00 0.00 C ATOM 153 NH1 ARG A 12 -8.369 12.738 -6.598 1.00 0.00 N ATOM 154 NH2 ARG A 12 -9.699 11.126 -7.541 1.00 0.00 N ATOM 0 H ARG A 12 -8.188 13.136 0.668 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.244 11.047 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.409 13.745 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.811 13.410 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.332 11.896 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.651 13.228 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.547 11.897 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.274 10.558 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.697 10.111 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.881 13.124 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.321 13.214 -7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.240 10.265 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.641 11.613 -8.435 1.00 0.00 H new ATOM 168 N SER A 13 -6.227 11.951 -0.246 1.00 0.00 N ATOM 169 CA SER A 13 -4.842 11.513 -0.234 1.00 0.00 C ATOM 170 C SER A 13 -4.682 10.215 0.548 1.00 0.00 C ATOM 171 O SER A 13 -3.770 9.444 0.261 1.00 0.00 O ATOM 172 CB SER A 13 -3.949 12.601 0.363 1.00 0.00 C ATOM 173 OG SER A 13 -4.133 13.815 -0.333 1.00 0.00 O ATOM 0 H SER A 13 -6.420 12.760 0.344 1.00 0.00 H new ATOM 0 HA SER A 13 -4.538 11.327 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.186 12.738 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.904 12.296 0.308 1.00 0.00 H new ATOM 0 HG SER A 13 -3.558 14.506 0.057 1.00 0.00 H new ATOM 179 N MET A 14 -5.554 9.953 1.529 1.00 0.00 N ATOM 180 CA MET A 14 -5.472 8.708 2.277 1.00 0.00 C ATOM 181 C MET A 14 -6.235 7.577 1.582 1.00 0.00 C ATOM 182 O MET A 14 -6.221 6.442 2.053 1.00 0.00 O ATOM 183 CB MET A 14 -5.872 8.920 3.739 1.00 0.00 C ATOM 184 CG MET A 14 -7.380 8.911 3.979 1.00 0.00 C ATOM 185 SD MET A 14 -7.837 9.084 5.726 1.00 0.00 S ATOM 186 CE MET A 14 -6.950 7.673 6.451 1.00 0.00 C ATOM 0 H MET A 14 -6.308 10.578 1.814 1.00 0.00 H new ATOM 0 HA MET A 14 -4.432 8.382 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.413 8.140 4.347 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.466 9.872 4.082 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.835 9.722 3.411 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.795 7.980 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.569 7.211 7.220 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.732 6.942 5.673 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.017 8.019 6.896 1.00 0.00 H new ATOM 196 N ASN A 15 -6.897 7.885 0.461 1.00 0.00 N ATOM 197 CA ASN A 15 -7.514 6.884 -0.397 1.00 0.00 C ATOM 198 C ASN A 15 -6.667 6.686 -1.656 1.00 0.00 C ATOM 199 O ASN A 15 -6.813 5.683 -2.347 1.00 0.00 O ATOM 200 CB ASN A 15 -8.946 7.295 -0.734 1.00 0.00 C ATOM 201 CG ASN A 15 -9.849 7.200 0.485 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.321 6.121 0.832 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.097 8.323 1.150 1.00 0.00 N ATOM 0 H ASN A 15 -7.017 8.842 0.128 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.560 5.929 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.953 8.316 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.333 6.655 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.696 8.305 1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.689 9.203 0.835 1.00 0.00 H new ATOM 210 N SER A 16 -5.782 7.645 -1.945 1.00 0.00 N ATOM 211 CA SER A 16 -4.785 7.530 -2.998 1.00 0.00 C ATOM 212 C SER A 16 -3.528 6.827 -2.483 1.00 0.00 C ATOM 213 O SER A 16 -2.553 6.683 -3.214 1.00 0.00 O ATOM 214 CB SER A 16 -4.449 8.920 -3.543 1.00 0.00 C ATOM 215 OG SER A 16 -5.634 9.587 -3.923 1.00 0.00 O ATOM 0 H SER A 16 -5.743 8.532 -1.444 1.00 0.00 H new ATOM 0 HA SER A 16 -5.194 6.924 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.922 9.500 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.780 8.832 -4.399 1.00 0.00 H new ATOM 0 HG SER A 16 -6.071 9.956 -3.127 1.00 0.00 H new ATOM 221 N ARG A 17 -3.552 6.391 -1.218 1.00 0.00 N ATOM 222 CA ARG A 17 -2.458 5.671 -0.587 1.00 0.00 C ATOM 223 C ARG A 17 -2.821 4.196 -0.482 1.00 0.00 C ATOM 224 O ARG A 17 -3.996 3.844 -0.390 1.00 0.00 O ATOM 225 CB ARG A 17 -2.186 6.263 0.793 1.00 0.00 C ATOM 226 CG ARG A 17 -0.979 5.576 1.423 1.00 0.00 C ATOM 227 CD ARG A 17 -0.421 6.395 2.577 1.00 0.00 C ATOM 228 NE ARG A 17 -1.415 6.630 3.629 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.030 7.795 3.845 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.834 8.844 3.051 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.856 7.913 4.875 1.00 0.00 N ATOM 0 H ARG A 17 -4.350 6.535 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.553 5.766 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.003 7.334 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.061 6.138 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.266 4.587 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.205 5.431 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.439 5.878 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.063 7.353 2.199 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.653 5.848 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.201 8.770 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.317 9.723 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.017 7.118 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.331 8.799 5.049 1.00 0.00 H new ATOM 245 N VAL A 18 -1.803 3.339 -0.491 1.00 0.00 N ATOM 246 CA VAL A 18 -1.971 1.905 -0.368 1.00 0.00 C ATOM 247 C VAL A 18 -1.109 1.386 0.773 1.00 0.00 C ATOM 248 O VAL A 18 0.083 1.685 0.855 1.00 0.00 O ATOM 249 CB VAL A 18 -1.611 1.215 -1.682 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.766 -0.295 -1.543 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.540 1.706 -2.789 1.00 0.00 C ATOM 0 H VAL A 18 -0.830 3.630 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.015 1.682 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.576 1.452 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.507 -0.776 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.104 -0.658 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.798 -0.533 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.282 1.213 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.572 1.472 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.430 2.784 -2.904 1.00 0.00 H new ATOM 261 N PHE A 19 -1.737 0.607 1.649 1.00 0.00 N ATOM 262 CA PHE A 19 -1.079 -0.057 2.759 1.00 0.00 C ATOM 263 C PHE A 19 -0.653 -1.456 2.319 1.00 0.00 C ATOM 264 O PHE A 19 -1.441 -2.177 1.707 1.00 0.00 O ATOM 265 CB PHE A 19 -2.053 -0.100 3.938 1.00 0.00 C ATOM 266 CG PHE A 19 -1.578 -0.886 5.136 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.298 -0.684 5.671 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.434 -1.830 5.720 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.122 -1.423 6.781 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.014 -2.572 6.831 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.734 -2.375 7.361 1.00 0.00 C ATOM 0 H PHE A 19 -2.738 0.419 1.602 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.183 0.480 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.262 0.922 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.996 -0.526 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.364 0.043 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.422 -1.986 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.107 -1.262 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.678 -3.296 7.279 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.405 -2.952 8.212 1.00 0.00 H new ATOM 281 N ILE A 20 0.588 -1.838 2.632 1.00 0.00 N ATOM 282 CA ILE A 20 1.149 -3.128 2.259 1.00 0.00 C ATOM 283 C ILE A 20 1.563 -3.843 3.535 1.00 0.00 C ATOM 284 O ILE A 20 2.721 -3.794 3.942 1.00 0.00 O ATOM 285 CB ILE A 20 2.331 -2.932 1.300 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.888 -2.208 0.023 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.967 -4.278 0.929 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.088 -1.613 -0.704 1.00 0.00 C ATOM 0 H ILE A 20 1.234 -1.250 3.158 1.00 0.00 H new ATOM 0 HA ILE A 20 0.414 -3.736 1.732 1.00 0.00 H new ATOM 0 HB ILE A 20 3.071 -2.320 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.368 -2.905 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.180 -1.418 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.802 -4.111 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.328 -4.771 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.224 -4.910 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.751 -1.104 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.591 -0.899 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.781 -2.409 -0.974 1.00 0.00 H new ATOM 300 N GLY A 21 0.599 -4.508 4.165 1.00 0.00 N ATOM 301 CA GLY A 21 0.824 -5.264 5.385 1.00 0.00 C ATOM 302 C GLY A 21 1.300 -6.677 5.073 1.00 0.00 C ATOM 303 O GLY A 21 1.337 -7.091 3.913 1.00 0.00 O ATOM 0 H GLY A 21 -0.367 -4.535 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.565 -4.755 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.098 -5.307 5.965 1.00 0.00 H new ATOM 307 N ASN A 22 1.668 -7.420 6.120 1.00 0.00 N ATOM 308 CA ASN A 22 2.144 -8.789 5.995 1.00 0.00 C ATOM 309 C ASN A 22 3.263 -8.871 4.953 1.00 0.00 C ATOM 310 O ASN A 22 3.286 -9.779 4.126 1.00 0.00 O ATOM 311 CB ASN A 22 0.959 -9.720 5.712 1.00 0.00 C ATOM 312 CG ASN A 22 1.271 -11.180 6.013 1.00 0.00 C ATOM 313 OD1 ASN A 22 1.157 -11.619 7.156 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.662 -11.946 5.004 1.00 0.00 N ATOM 0 H ASN A 22 1.642 -7.081 7.082 1.00 0.00 H new ATOM 0 HA ASN A 22 2.588 -9.126 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.104 -9.405 6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.669 -9.623 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.878 -12.930 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.747 -11.551 4.067 1.00 0.00 H new ATOM 321 N LEU A 23 4.191 -7.910 4.994 1.00 0.00 N ATOM 322 CA LEU A 23 5.322 -7.823 4.081 1.00 0.00 C ATOM 323 C LEU A 23 6.558 -8.434 4.743 1.00 0.00 C ATOM 324 O LEU A 23 6.714 -8.345 5.958 1.00 0.00 O ATOM 325 CB LEU A 23 5.513 -6.345 3.714 1.00 0.00 C ATOM 326 CG LEU A 23 6.674 -6.076 2.749 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.495 -6.791 1.417 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.759 -4.574 2.492 1.00 0.00 C ATOM 0 H LEU A 23 4.171 -7.156 5.681 1.00 0.00 H new ATOM 0 HA LEU A 23 5.148 -8.386 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.591 -5.972 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.677 -5.775 4.628 1.00 0.00 H new ATOM 0 HG LEU A 23 7.586 -6.454 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.342 -6.569 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.439 -7.866 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.575 -6.450 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.581 -4.368 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.824 -4.227 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.932 -4.053 3.434 1.00 0.00 H new ATOM 340 N ASN A 24 7.440 -9.057 3.957 1.00 0.00 N ATOM 341 CA ASN A 24 8.618 -9.703 4.515 1.00 0.00 C ATOM 342 C ASN A 24 9.599 -8.664 5.063 1.00 0.00 C ATOM 343 O ASN A 24 10.153 -8.844 6.142 1.00 0.00 O ATOM 344 CB ASN A 24 9.297 -10.548 3.433 1.00 0.00 C ATOM 345 CG ASN A 24 10.407 -11.403 4.027 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.299 -11.893 5.146 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.488 -11.589 3.277 1.00 0.00 N ATOM 0 H ASN A 24 7.357 -9.125 2.943 1.00 0.00 H new ATOM 0 HA ASN A 24 8.309 -10.346 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.559 -11.188 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.708 -9.896 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.261 -12.154 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.545 -11.167 2.350 1.00 0.00 H new ATOM 354 N THR A 25 9.793 -7.581 4.305 1.00 0.00 N ATOM 355 CA THR A 25 10.668 -6.444 4.601 1.00 0.00 C ATOM 356 C THR A 25 12.137 -6.798 4.835 1.00 0.00 C ATOM 357 O THR A 25 12.961 -5.902 5.012 1.00 0.00 O ATOM 358 CB THR A 25 10.104 -5.579 5.736 1.00 0.00 C ATOM 359 OG1 THR A 25 10.150 -6.260 6.971 1.00 0.00 O ATOM 360 CG2 THR A 25 8.663 -5.186 5.435 1.00 0.00 C ATOM 0 H THR A 25 9.313 -7.468 3.412 1.00 0.00 H new ATOM 0 HA THR A 25 10.673 -5.855 3.684 1.00 0.00 H new ATOM 0 HB THR A 25 10.723 -4.685 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.219 -7.224 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.276 -4.573 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.627 -4.619 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.054 -6.085 5.336 1.00 0.00 H new ATOM 368 N LEU A 26 12.485 -8.086 4.836 1.00 0.00 N ATOM 369 CA LEU A 26 13.864 -8.530 4.941 1.00 0.00 C ATOM 370 C LEU A 26 14.572 -8.520 3.588 1.00 0.00 C ATOM 371 O LEU A 26 15.801 -8.458 3.536 1.00 0.00 O ATOM 372 CB LEU A 26 13.860 -9.950 5.503 1.00 0.00 C ATOM 373 CG LEU A 26 13.293 -10.035 6.924 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.426 -11.468 7.426 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.023 -9.090 7.875 1.00 0.00 C ATOM 0 H LEU A 26 11.811 -8.848 4.763 1.00 0.00 H new ATOM 0 HA LEU A 26 14.405 -7.846 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.274 -10.592 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.879 -10.337 5.501 1.00 0.00 H new ATOM 0 HG LEU A 26 12.245 -9.737 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.025 -11.538 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.871 -12.137 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.477 -11.755 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.595 -9.176 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.080 -9.353 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.916 -8.064 7.522 1.00 0.00 H new ATOM 387 N VAL A 27 13.804 -8.582 2.495 1.00 0.00 N ATOM 388 CA VAL A 27 14.355 -8.630 1.143 1.00 0.00 C ATOM 389 C VAL A 27 13.868 -7.458 0.291 1.00 0.00 C ATOM 390 O VAL A 27 14.553 -7.069 -0.654 1.00 0.00 O ATOM 391 CB VAL A 27 13.993 -9.976 0.501 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.579 -10.096 -0.909 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.545 -11.126 1.347 1.00 0.00 C ATOM 0 H VAL A 27 12.785 -8.600 2.526 1.00 0.00 H new ATOM 0 HA VAL A 27 15.440 -8.540 1.201 1.00 0.00 H new ATOM 0 HB VAL A 27 12.906 -10.029 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.305 -11.061 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.185 -9.296 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.665 -10.017 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.283 -12.077 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.630 -11.041 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.116 -11.080 2.348 1.00 0.00 H new ATOM 403 N VAL A 28 12.703 -6.886 0.610 1.00 0.00 N ATOM 404 CA VAL A 28 12.156 -5.760 -0.144 1.00 0.00 C ATOM 405 C VAL A 28 12.437 -4.443 0.575 1.00 0.00 C ATOM 406 O VAL A 28 12.456 -4.393 1.803 1.00 0.00 O ATOM 407 CB VAL A 28 10.657 -5.970 -0.393 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.059 -4.819 -1.200 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.440 -7.260 -1.179 1.00 0.00 C ATOM 0 H VAL A 28 12.120 -7.188 1.390 1.00 0.00 H new ATOM 0 HA VAL A 28 12.649 -5.707 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 28 10.167 -6.020 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.996 -5.000 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.191 -3.885 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.563 -4.750 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.374 -7.405 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.959 -7.195 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.832 -8.103 -0.610 1.00 0.00 H new ATOM 419 N LYS A 29 12.652 -3.374 -0.201 1.00 0.00 N ATOM 420 CA LYS A 29 12.960 -2.047 0.322 1.00 0.00 C ATOM 421 C LYS A 29 12.146 -0.998 -0.420 1.00 0.00 C ATOM 422 O LYS A 29 11.493 -1.296 -1.418 1.00 0.00 O ATOM 423 CB LYS A 29 14.458 -1.739 0.172 1.00 0.00 C ATOM 424 CG LYS A 29 15.370 -2.748 0.879 1.00 0.00 C ATOM 425 CD LYS A 29 15.774 -3.888 -0.057 1.00 0.00 C ATOM 426 CE LYS A 29 16.717 -4.845 0.670 1.00 0.00 C ATOM 427 NZ LYS A 29 17.161 -5.924 -0.231 1.00 0.00 N ATOM 0 H LYS A 29 12.616 -3.411 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 29 12.703 -2.025 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.710 -1.716 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.656 -0.743 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.263 -2.240 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.858 -3.155 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.887 -4.424 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.262 -3.486 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.582 -4.297 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.212 -5.273 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.840 -6.534 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.340 -6.489 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.617 -5.511 -1.069 1.00 0.00 H new ATOM 441 N LYS A 30 12.192 0.240 0.068 1.00 0.00 N ATOM 442 CA LYS A 30 11.484 1.377 -0.509 1.00 0.00 C ATOM 443 C LYS A 30 11.997 1.732 -1.904 1.00 0.00 C ATOM 444 O LYS A 30 11.402 2.567 -2.581 1.00 0.00 O ATOM 445 CB LYS A 30 11.619 2.555 0.451 1.00 0.00 C ATOM 446 CG LYS A 30 13.090 2.881 0.719 1.00 0.00 C ATOM 447 CD LYS A 30 13.215 3.468 2.122 1.00 0.00 C ATOM 448 CE LYS A 30 12.475 4.806 2.236 1.00 0.00 C ATOM 449 NZ LYS A 30 13.052 5.816 1.326 1.00 0.00 N ATOM 0 H LYS A 30 12.736 0.484 0.895 1.00 0.00 H new ATOM 0 HA LYS A 30 10.433 1.117 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.120 3.429 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.118 2.322 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.698 1.981 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.461 3.590 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.812 2.764 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.268 3.611 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.420 4.662 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.527 5.167 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.624 6.744 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.080 5.871 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.859 5.546 0.340 1.00 0.00 H new ATOM 463 N SER A 31 13.091 1.099 -2.328 1.00 0.00 N ATOM 464 CA SER A 31 13.655 1.267 -3.661 1.00 0.00 C ATOM 465 C SER A 31 13.133 0.184 -4.603 1.00 0.00 C ATOM 466 O SER A 31 13.290 0.282 -5.818 1.00 0.00 O ATOM 467 CB SER A 31 15.178 1.202 -3.563 1.00 0.00 C ATOM 468 OG SER A 31 15.568 0.007 -2.915 1.00 0.00 O ATOM 0 H SER A 31 13.615 0.447 -1.745 1.00 0.00 H new ATOM 0 HA SER A 31 13.356 2.234 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.617 1.246 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.553 2.064 -3.011 1.00 0.00 H new ATOM 0 HG SER A 31 16.546 -0.030 -2.857 1.00 0.00 H new ATOM 474 N ASP A 32 12.510 -0.851 -4.034 1.00 0.00 N ATOM 475 CA ASP A 32 11.917 -1.957 -4.765 1.00 0.00 C ATOM 476 C ASP A 32 10.405 -1.784 -4.876 1.00 0.00 C ATOM 477 O ASP A 32 9.811 -2.152 -5.888 1.00 0.00 O ATOM 478 CB ASP A 32 12.248 -3.250 -4.022 1.00 0.00 C ATOM 479 CG ASP A 32 13.720 -3.617 -4.154 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.168 -3.815 -5.307 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.393 -3.693 -3.100 1.00 0.00 O ATOM 0 H ASP A 32 12.405 -0.939 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 32 12.321 -1.988 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.994 -3.139 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.635 -4.061 -4.413 1.00 0.00 H new ATOM 486 N VAL A 33 9.767 -1.224 -3.844 1.00 0.00 N ATOM 487 CA VAL A 33 8.327 -1.010 -3.865 1.00 0.00 C ATOM 488 C VAL A 33 7.985 0.007 -4.953 1.00 0.00 C ATOM 489 O VAL A 33 6.916 -0.067 -5.556 1.00 0.00 O ATOM 490 CB VAL A 33 7.873 -0.534 -2.482 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.385 -0.191 -2.477 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.091 -1.637 -1.448 1.00 0.00 C ATOM 0 H VAL A 33 10.228 -0.913 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 33 7.803 -1.938 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 33 8.460 0.352 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.092 0.144 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.192 0.603 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.807 -1.075 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.765 -1.287 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.515 -2.518 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.150 -1.894 -1.407 1.00 0.00 H new ATOM 502 N GLU A 34 8.892 0.953 -5.208 1.00 0.00 N ATOM 503 CA GLU A 34 8.702 1.954 -6.249 1.00 0.00 C ATOM 504 C GLU A 34 9.047 1.401 -7.634 1.00 0.00 C ATOM 505 O GLU A 34 9.112 2.154 -8.602 1.00 0.00 O ATOM 506 CB GLU A 34 9.481 3.229 -5.921 1.00 0.00 C ATOM 507 CG GLU A 34 10.989 2.992 -5.922 1.00 0.00 C ATOM 508 CD GLU A 34 11.773 4.274 -5.626 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.133 5.275 -5.230 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.012 4.242 -5.799 1.00 0.00 O ATOM 0 H GLU A 34 9.772 1.043 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 34 7.645 2.217 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.235 4.002 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.173 3.601 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.237 2.236 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.293 2.597 -6.891 1.00 0.00 H new ATOM 517 N ALA A 35 9.273 0.085 -7.728 1.00 0.00 N ATOM 518 CA ALA A 35 9.531 -0.597 -8.987 1.00 0.00 C ATOM 519 C ALA A 35 8.589 -1.791 -9.169 1.00 0.00 C ATOM 520 O ALA A 35 8.571 -2.406 -10.233 1.00 0.00 O ATOM 521 CB ALA A 35 10.992 -1.042 -9.022 1.00 0.00 C ATOM 0 H ALA A 35 9.280 -0.536 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 35 9.344 0.090 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.194 -1.554 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.640 -0.170 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.186 -1.720 -8.191 1.00 0.00 H new ATOM 527 N ILE A 36 7.803 -2.121 -8.135 1.00 0.00 N ATOM 528 CA ILE A 36 6.845 -3.220 -8.183 1.00 0.00 C ATOM 529 C ILE A 36 5.413 -2.684 -8.152 1.00 0.00 C ATOM 530 O ILE A 36 4.503 -3.321 -8.676 1.00 0.00 O ATOM 531 CB ILE A 36 7.110 -4.158 -7.000 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.522 -4.754 -7.120 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.065 -5.278 -6.961 1.00 0.00 C ATOM 534 CD1 ILE A 36 8.986 -5.358 -5.795 1.00 0.00 C ATOM 0 H ILE A 36 7.818 -1.628 -7.242 1.00 0.00 H new ATOM 0 HA ILE A 36 6.965 -3.775 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 36 7.038 -3.588 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.530 -5.521 -7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.221 -3.978 -7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.267 -5.935 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.071 -4.844 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.112 -5.852 -7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.988 -5.771 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.001 -4.584 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.300 -6.151 -5.497 1.00 0.00 H new ATOM 546 N PHE A 37 5.214 -1.513 -7.542 1.00 0.00 N ATOM 547 CA PHE A 37 3.905 -0.886 -7.450 1.00 0.00 C ATOM 548 C PHE A 37 3.786 0.280 -8.432 1.00 0.00 C ATOM 549 O PHE A 37 2.713 0.866 -8.568 1.00 0.00 O ATOM 550 CB PHE A 37 3.659 -0.447 -6.004 1.00 0.00 C ATOM 551 CG PHE A 37 3.427 -1.597 -5.052 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.516 -2.325 -4.558 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.121 -1.937 -4.664 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.304 -3.397 -3.679 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.907 -3.009 -3.786 1.00 0.00 C ATOM 556 CZ PHE A 37 2.999 -3.737 -3.295 1.00 0.00 C ATOM 0 H PHE A 37 5.960 -0.977 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 37 3.135 -1.606 -7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.515 0.132 -5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.794 0.216 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.520 -2.061 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.281 -1.373 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.144 -3.959 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.903 -3.273 -3.489 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.835 -4.563 -2.619 1.00 0.00 H new ATOM 566 N SER A 38 4.878 0.627 -9.120 1.00 0.00 N ATOM 567 CA SER A 38 4.886 1.718 -10.085 1.00 0.00 C ATOM 568 C SER A 38 4.221 1.311 -11.401 1.00 0.00 C ATOM 569 O SER A 38 3.901 2.162 -12.227 1.00 0.00 O ATOM 570 CB SER A 38 6.327 2.141 -10.342 1.00 0.00 C ATOM 571 OG SER A 38 7.075 1.031 -10.800 1.00 0.00 O ATOM 0 H SER A 38 5.778 0.157 -9.020 1.00 0.00 H new ATOM 0 HA SER A 38 4.316 2.550 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.355 2.941 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.769 2.537 -9.428 1.00 0.00 H new ATOM 0 HG SER A 38 7.951 1.335 -11.116 1.00 0.00 H new ATOM 577 N LYS A 39 4.014 0.005 -11.592 1.00 0.00 N ATOM 578 CA LYS A 39 3.368 -0.533 -12.785 1.00 0.00 C ATOM 579 C LYS A 39 1.844 -0.468 -12.693 1.00 0.00 C ATOM 580 O LYS A 39 1.161 -0.695 -13.687 1.00 0.00 O ATOM 581 CB LYS A 39 3.862 -1.961 -13.001 1.00 0.00 C ATOM 582 CG LYS A 39 3.399 -2.860 -11.857 1.00 0.00 C ATOM 583 CD LYS A 39 4.240 -4.133 -11.806 1.00 0.00 C ATOM 584 CE LYS A 39 4.086 -4.972 -13.077 1.00 0.00 C ATOM 585 NZ LYS A 39 2.703 -5.463 -13.237 1.00 0.00 N ATOM 0 H LYS A 39 4.292 -0.709 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 39 3.638 0.080 -13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.485 -2.344 -13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.950 -1.971 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.480 -2.325 -10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.348 -3.116 -11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.289 -3.870 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.946 -4.728 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.363 -4.374 -13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.772 -5.818 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.720 -6.430 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.226 -5.465 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.187 -4.841 -13.892 1.00 0.00 H new ATOM 599 N TYR A 40 1.310 -0.162 -11.505 1.00 0.00 N ATOM 600 CA TYR A 40 -0.128 -0.018 -11.301 1.00 0.00 C ATOM 601 C TYR A 40 -0.525 1.449 -11.145 1.00 0.00 C ATOM 602 O TYR A 40 -1.706 1.787 -11.246 1.00 0.00 O ATOM 603 CB TYR A 40 -0.546 -0.838 -10.080 1.00 0.00 C ATOM 604 CG TYR A 40 -0.181 -2.296 -10.215 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.954 -3.141 -11.028 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.939 -2.796 -9.537 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.587 -4.484 -11.186 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.312 -4.138 -9.690 1.00 0.00 C ATOM 609 CZ TYR A 40 0.555 -4.983 -10.524 1.00 0.00 C ATOM 610 OH TYR A 40 0.930 -6.284 -10.692 1.00 0.00 O ATOM 0 H TYR A 40 1.865 -0.008 -10.663 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.651 -0.394 -12.181 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.070 -0.428 -9.190 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.623 -0.747 -9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.829 -2.756 -11.530 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.516 -2.146 -8.896 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.177 -5.136 -11.813 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.177 -4.523 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 40 0.461 -6.846 -10.041 1.00 0.00 H new ATOM 620 N GLY A 41 0.453 2.326 -10.908 1.00 0.00 N ATOM 621 CA GLY A 41 0.201 3.755 -10.860 1.00 0.00 C ATOM 622 C GLY A 41 1.475 4.559 -10.654 1.00 0.00 C ATOM 623 O GLY A 41 2.508 4.020 -10.267 1.00 0.00 O ATOM 0 H GLY A 41 1.426 2.064 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.278 4.069 -11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.497 3.972 -10.052 1.00 0.00 H new ATOM 627 N LYS A 42 1.397 5.867 -10.919 1.00 0.00 N ATOM 628 CA LYS A 42 2.507 6.782 -10.727 1.00 0.00 C ATOM 629 C LYS A 42 2.684 7.047 -9.236 1.00 0.00 C ATOM 630 O LYS A 42 1.823 7.660 -8.607 1.00 0.00 O ATOM 631 CB LYS A 42 2.218 8.063 -11.505 1.00 0.00 C ATOM 632 CG LYS A 42 3.208 9.176 -11.164 1.00 0.00 C ATOM 633 CD LYS A 42 2.887 10.410 -12.005 1.00 0.00 C ATOM 634 CE LYS A 42 3.703 11.593 -11.482 1.00 0.00 C ATOM 635 NZ LYS A 42 3.462 12.803 -12.288 1.00 0.00 N ATOM 0 H LYS A 42 0.553 6.315 -11.275 1.00 0.00 H new ATOM 0 HA LYS A 42 3.439 6.357 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.260 7.855 -12.574 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.205 8.399 -11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.149 9.419 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.228 8.844 -11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.123 10.224 -13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.822 10.635 -11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.441 11.787 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.764 11.344 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.028 13.590 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.734 12.622 -13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.453 13.052 -12.247 1.00 0.00 H new ATOM 649 N ILE A 43 3.803 6.581 -8.677 1.00 0.00 N ATOM 650 CA ILE A 43 4.086 6.726 -7.257 1.00 0.00 C ATOM 651 C ILE A 43 4.690 8.101 -6.992 1.00 0.00 C ATOM 652 O ILE A 43 5.651 8.499 -7.645 1.00 0.00 O ATOM 653 CB ILE A 43 4.997 5.582 -6.792 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.240 4.257 -6.953 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.407 5.772 -5.328 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.087 3.041 -6.575 1.00 0.00 C ATOM 0 H ILE A 43 4.533 6.095 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 43 3.164 6.661 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 43 5.903 5.575 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.345 4.278 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.909 4.156 -7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.052 4.949 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.944 6.714 -5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.516 5.788 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.500 2.133 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.970 3.000 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.396 3.123 -5.533 1.00 0.00 H new ATOM 668 N VAL A 44 4.118 8.825 -6.027 1.00 0.00 N ATOM 669 CA VAL A 44 4.587 10.149 -5.632 1.00 0.00 C ATOM 670 C VAL A 44 5.286 10.089 -4.277 1.00 0.00 C ATOM 671 O VAL A 44 5.889 11.071 -3.847 1.00 0.00 O ATOM 672 CB VAL A 44 3.424 11.147 -5.622 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.817 11.272 -7.021 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.332 10.718 -4.643 1.00 0.00 C ATOM 0 H VAL A 44 3.309 8.503 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 44 5.317 10.496 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 44 3.823 12.110 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.992 11.984 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.579 11.621 -7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.447 10.299 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.522 11.447 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.947 9.740 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.747 10.660 -3.637 1.00 0.00 H new ATOM 684 N GLY A 45 5.210 8.940 -3.604 1.00 0.00 N ATOM 685 CA GLY A 45 5.868 8.726 -2.327 1.00 0.00 C ATOM 686 C GLY A 45 5.807 7.251 -1.938 1.00 0.00 C ATOM 687 O GLY A 45 4.847 6.559 -2.262 1.00 0.00 O ATOM 0 H GLY A 45 4.686 8.131 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.907 9.050 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.389 9.332 -1.558 1.00 0.00 H new ATOM 691 N CYS A 46 6.839 6.767 -1.244 1.00 0.00 N ATOM 692 CA CYS A 46 6.893 5.393 -0.782 1.00 0.00 C ATOM 693 C CYS A 46 7.750 5.308 0.477 1.00 0.00 C ATOM 694 O CYS A 46 8.746 6.020 0.605 1.00 0.00 O ATOM 695 CB CYS A 46 7.462 4.502 -1.887 1.00 0.00 C ATOM 696 SG CYS A 46 7.509 2.789 -1.300 1.00 0.00 S ATOM 0 H CYS A 46 7.656 7.322 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 46 5.888 5.047 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.847 4.576 -2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.464 4.834 -2.160 1.00 0.00 H new ATOM 0 HG CYS A 46 6.503 2.575 -0.505 1.00 0.00 H new ATOM 702 N SER A 47 7.365 4.432 1.404 1.00 0.00 N ATOM 703 CA SER A 47 8.122 4.205 2.621 1.00 0.00 C ATOM 704 C SER A 47 7.907 2.777 3.097 1.00 0.00 C ATOM 705 O SER A 47 6.776 2.287 3.125 1.00 0.00 O ATOM 706 CB SER A 47 7.681 5.205 3.690 1.00 0.00 C ATOM 707 OG SER A 47 8.481 5.049 4.840 1.00 0.00 O ATOM 0 H SER A 47 6.521 3.864 1.327 1.00 0.00 H new ATOM 0 HA SER A 47 9.185 4.349 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.768 6.223 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.632 5.047 3.940 1.00 0.00 H new ATOM 0 HG SER A 47 8.057 4.408 5.449 1.00 0.00 H new ATOM 713 N VAL A 48 8.995 2.107 3.472 1.00 0.00 N ATOM 714 CA VAL A 48 8.942 0.745 3.986 1.00 0.00 C ATOM 715 C VAL A 48 9.271 0.756 5.473 1.00 0.00 C ATOM 716 O VAL A 48 10.052 1.583 5.942 1.00 0.00 O ATOM 717 CB VAL A 48 9.885 -0.162 3.194 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.904 -1.587 3.750 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.424 -0.223 1.741 1.00 0.00 C ATOM 0 H VAL A 48 9.937 2.495 3.427 1.00 0.00 H new ATOM 0 HA VAL A 48 7.937 0.341 3.864 1.00 0.00 H new ATOM 0 HB VAL A 48 10.888 0.257 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.586 -2.199 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.239 -1.568 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.901 -2.010 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.094 -0.869 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.411 -0.623 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.437 0.779 1.313 1.00 0.00 H new ATOM 729 N HIS A 49 8.664 -0.172 6.209 1.00 0.00 N ATOM 730 CA HIS A 49 8.805 -0.288 7.648 1.00 0.00 C ATOM 731 C HIS A 49 9.039 -1.758 7.981 1.00 0.00 C ATOM 732 O HIS A 49 9.290 -2.561 7.082 1.00 0.00 O ATOM 733 CB HIS A 49 7.532 0.252 8.304 1.00 0.00 C ATOM 734 CG HIS A 49 7.196 1.651 7.857 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.500 2.823 8.555 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.540 1.973 6.704 1.00 0.00 C ATOM 737 CE1 HIS A 49 7.026 3.825 7.792 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.440 3.345 6.680 1.00 0.00 N ATOM 0 H HIS A 49 8.047 -0.878 5.807 1.00 0.00 H new ATOM 0 HA HIS A 49 9.649 0.290 8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.698 -0.410 8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.653 0.240 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.172 1.285 5.957 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.105 4.873 8.039 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.999 3.901 5.947 1.00 0.00 H new ATOM 746 N LYS A 50 8.962 -2.136 9.257 1.00 0.00 N ATOM 747 CA LYS A 50 9.122 -3.531 9.634 1.00 0.00 C ATOM 748 C LYS A 50 7.781 -4.249 9.545 1.00 0.00 C ATOM 749 O LYS A 50 6.833 -3.893 10.244 1.00 0.00 O ATOM 750 CB LYS A 50 9.722 -3.638 11.038 1.00 0.00 C ATOM 751 CG LYS A 50 11.118 -3.014 11.069 1.00 0.00 C ATOM 752 CD LYS A 50 11.726 -3.176 12.461 1.00 0.00 C ATOM 753 CE LYS A 50 13.125 -2.562 12.486 1.00 0.00 C ATOM 754 NZ LYS A 50 13.749 -2.724 13.810 1.00 0.00 N ATOM 0 H LYS A 50 8.792 -1.500 10.036 1.00 0.00 H new ATOM 0 HA LYS A 50 9.812 -4.014 8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.075 -3.134 11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.777 -4.684 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.756 -3.491 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.060 -1.957 10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.092 -2.692 13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.777 -4.232 12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.747 -3.035 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.066 -1.503 12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.698 -2.299 13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.165 -2.252 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.825 -3.736 14.036 1.00 0.00 H new ATOM 768 N GLY A 51 7.708 -5.265 8.683 1.00 0.00 N ATOM 769 CA GLY A 51 6.513 -6.075 8.490 1.00 0.00 C ATOM 770 C GLY A 51 5.472 -5.427 7.573 1.00 0.00 C ATOM 771 O GLY A 51 4.506 -6.084 7.192 1.00 0.00 O ATOM 0 H GLY A 51 8.490 -5.549 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.802 -7.039 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.057 -6.272 9.460 1.00 0.00 H new ATOM 775 N PHE A 52 5.645 -4.153 7.206 1.00 0.00 N ATOM 776 CA PHE A 52 4.700 -3.484 6.324 1.00 0.00 C ATOM 777 C PHE A 52 5.365 -2.356 5.538 1.00 0.00 C ATOM 778 O PHE A 52 6.503 -1.978 5.819 1.00 0.00 O ATOM 779 CB PHE A 52 3.526 -2.933 7.139 1.00 0.00 C ATOM 780 CG PHE A 52 3.908 -1.855 8.124 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.353 -2.203 9.408 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.817 -0.503 7.760 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.712 -1.205 10.323 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.173 0.495 8.676 1.00 0.00 C ATOM 785 CZ PHE A 52 4.624 0.145 9.956 1.00 0.00 C ATOM 0 H PHE A 52 6.428 -3.572 7.507 1.00 0.00 H new ATOM 0 HA PHE A 52 4.334 -4.219 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.778 -2.535 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.057 -3.755 7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.419 -3.243 9.692 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.472 -0.232 6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.056 -1.475 11.310 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.100 1.535 8.396 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.904 0.915 10.659 1.00 0.00 H new ATOM 795 N ALA A 53 4.646 -1.815 4.550 1.00 0.00 N ATOM 796 CA ALA A 53 5.097 -0.692 3.742 1.00 0.00 C ATOM 797 C ALA A 53 3.906 0.168 3.310 1.00 0.00 C ATOM 798 O ALA A 53 2.751 -0.204 3.526 1.00 0.00 O ATOM 799 CB ALA A 53 5.847 -1.221 2.520 1.00 0.00 C ATOM 0 H ALA A 53 3.720 -2.155 4.290 1.00 0.00 H new ATOM 0 HA ALA A 53 5.767 -0.068 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.187 -0.383 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.707 -1.806 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.182 -1.852 1.930 1.00 0.00 H new ATOM 805 N PHE A 54 4.188 1.319 2.699 1.00 0.00 N ATOM 806 CA PHE A 54 3.178 2.243 2.208 1.00 0.00 C ATOM 807 C PHE A 54 3.588 2.800 0.847 1.00 0.00 C ATOM 808 O PHE A 54 4.775 2.980 0.571 1.00 0.00 O ATOM 809 CB PHE A 54 2.985 3.380 3.217 1.00 0.00 C ATOM 810 CG PHE A 54 1.955 3.088 4.283 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.594 3.146 3.955 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.347 2.763 5.591 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.377 2.893 4.930 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.375 2.496 6.564 1.00 0.00 C ATOM 815 CZ PHE A 54 0.016 2.565 6.233 1.00 0.00 C ATOM 0 H PHE A 54 5.143 1.636 2.531 1.00 0.00 H new ATOM 0 HA PHE A 54 2.234 1.711 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.940 3.591 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.692 4.282 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.293 3.387 2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.395 2.719 5.847 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.426 2.951 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.674 2.237 7.569 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.732 2.364 6.986 1.00 0.00 H new ATOM 825 N VAL A 55 2.592 3.072 -0.001 1.00 0.00 N ATOM 826 CA VAL A 55 2.788 3.636 -1.331 1.00 0.00 C ATOM 827 C VAL A 55 1.737 4.704 -1.581 1.00 0.00 C ATOM 828 O VAL A 55 0.565 4.497 -1.281 1.00 0.00 O ATOM 829 CB VAL A 55 2.682 2.539 -2.394 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.783 3.129 -3.802 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.813 1.533 -2.225 1.00 0.00 C ATOM 0 H VAL A 55 1.612 2.902 0.225 1.00 0.00 H new ATOM 0 HA VAL A 55 3.782 4.080 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 55 1.715 2.053 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.705 2.329 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.975 3.844 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.742 3.635 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.727 0.758 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.771 2.042 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.751 1.079 -1.236 1.00 0.00 H new ATOM 841 N GLN A 56 2.151 5.842 -2.130 1.00 0.00 N ATOM 842 CA GLN A 56 1.261 6.957 -2.398 1.00 0.00 C ATOM 843 C GLN A 56 1.163 7.173 -3.906 1.00 0.00 C ATOM 844 O GLN A 56 2.183 7.238 -4.589 1.00 0.00 O ATOM 845 CB GLN A 56 1.809 8.196 -1.679 1.00 0.00 C ATOM 846 CG GLN A 56 0.869 9.400 -1.775 1.00 0.00 C ATOM 847 CD GLN A 56 -0.361 9.236 -0.892 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.249 8.995 0.306 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.546 9.369 -1.478 1.00 0.00 N ATOM 0 H GLN A 56 3.119 6.013 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 56 0.256 6.756 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.979 7.956 -0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.776 8.461 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.406 10.303 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.556 9.534 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.602 9.569 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.400 9.271 -0.929 1.00 0.00 H new ATOM 858 N TYR A 57 -0.065 7.285 -4.415 1.00 0.00 N ATOM 859 CA TYR A 57 -0.328 7.527 -5.825 1.00 0.00 C ATOM 860 C TYR A 57 -0.907 8.924 -6.025 1.00 0.00 C ATOM 861 O TYR A 57 -1.202 9.628 -5.060 1.00 0.00 O ATOM 862 CB TYR A 57 -1.301 6.478 -6.363 1.00 0.00 C ATOM 863 CG TYR A 57 -0.735 5.083 -6.439 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.406 4.840 -7.216 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.352 4.029 -5.747 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.938 3.549 -7.302 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.820 2.736 -5.823 1.00 0.00 C ATOM 868 CZ TYR A 57 0.323 2.488 -6.608 1.00 0.00 C ATOM 869 OH TYR A 57 0.830 1.230 -6.697 1.00 0.00 O ATOM 0 H TYR A 57 -0.910 7.209 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 57 0.612 7.456 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.187 6.463 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.627 6.779 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.876 5.652 -7.750 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.237 4.215 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.819 3.366 -7.899 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.287 1.928 -5.279 1.00 0.00 H new ATOM 0 HH TYR A 57 1.529 1.207 -7.384 1.00 0.00 H new ATOM 879 N VAL A 58 -1.073 9.325 -7.288 1.00 0.00 N ATOM 880 CA VAL A 58 -1.646 10.620 -7.623 1.00 0.00 C ATOM 881 C VAL A 58 -3.136 10.636 -7.290 1.00 0.00 C ATOM 882 O VAL A 58 -3.668 11.684 -6.928 1.00 0.00 O ATOM 883 CB VAL A 58 -1.418 10.904 -9.112 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.186 12.147 -9.561 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.070 11.129 -9.378 1.00 0.00 C ATOM 0 H VAL A 58 -0.814 8.762 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.160 11.399 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.777 10.041 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.005 12.323 -10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.253 11.995 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.849 13.010 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.224 11.330 -10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.420 11.980 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.629 10.238 -9.093 1.00 0.00 H new ATOM 895 N ASN A 59 -3.814 9.489 -7.406 1.00 0.00 N ATOM 896 CA ASN A 59 -5.232 9.414 -7.084 1.00 0.00 C ATOM 897 C ASN A 59 -5.659 7.998 -6.692 1.00 0.00 C ATOM 898 O ASN A 59 -4.925 7.035 -6.903 1.00 0.00 O ATOM 899 CB ASN A 59 -6.063 9.955 -8.250 1.00 0.00 C ATOM 900 CG ASN A 59 -6.458 8.896 -9.260 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.642 8.635 -9.432 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.487 8.283 -9.928 1.00 0.00 N ATOM 0 H ASN A 59 -3.402 8.610 -7.718 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.415 10.040 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.965 10.423 -7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.496 10.735 -8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.715 7.564 -10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.513 8.531 -9.754 1.00 0.00 H new ATOM 909 N GLU A 60 -6.861 7.886 -6.117 1.00 0.00 N ATOM 910 CA GLU A 60 -7.420 6.624 -5.652 1.00 0.00 C ATOM 911 C GLU A 60 -7.523 5.580 -6.765 1.00 0.00 C ATOM 912 O GLU A 60 -7.433 4.387 -6.485 1.00 0.00 O ATOM 913 CB GLU A 60 -8.795 6.910 -5.049 1.00 0.00 C ATOM 914 CG GLU A 60 -9.485 5.626 -4.584 1.00 0.00 C ATOM 915 CD GLU A 60 -10.796 5.903 -3.847 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.308 7.042 -3.950 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.279 4.959 -3.181 1.00 0.00 O ATOM 0 H GLU A 60 -7.477 8.684 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.751 6.199 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.688 7.592 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.420 7.412 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.684 4.991 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.813 5.072 -3.929 1.00 0.00 H new ATOM 924 N ARG A 61 -7.705 5.989 -8.024 1.00 0.00 N ATOM 925 CA ARG A 61 -7.807 5.027 -9.119 1.00 0.00 C ATOM 926 C ARG A 61 -6.527 4.197 -9.209 1.00 0.00 C ATOM 927 O ARG A 61 -6.569 3.000 -9.489 1.00 0.00 O ATOM 928 CB ARG A 61 -8.065 5.789 -10.420 1.00 0.00 C ATOM 929 CG ARG A 61 -7.922 4.930 -11.676 1.00 0.00 C ATOM 930 CD ARG A 61 -8.777 3.666 -11.589 1.00 0.00 C ATOM 931 NE ARG A 61 -8.841 2.974 -12.884 1.00 0.00 N ATOM 932 CZ ARG A 61 -7.861 2.214 -13.383 1.00 0.00 C ATOM 933 NH1 ARG A 61 -6.734 2.017 -12.699 1.00 0.00 N ATOM 934 NH2 ARG A 61 -8.005 1.642 -14.575 1.00 0.00 N ATOM 0 H ARG A 61 -7.784 6.966 -8.305 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.634 4.340 -8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.070 6.209 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.371 6.627 -10.483 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.216 5.510 -12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.876 4.655 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.363 2.995 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.784 3.927 -11.264 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.690 3.081 -13.439 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.611 2.449 -11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.994 1.435 -13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.863 1.783 -15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.257 1.062 -14.956 1.00 0.00 H new ATOM 948 N ASN A 62 -5.383 4.829 -8.967 1.00 0.00 N ATOM 949 CA ASN A 62 -4.118 4.118 -9.005 1.00 0.00 C ATOM 950 C ASN A 62 -3.947 3.234 -7.772 1.00 0.00 C ATOM 951 O ASN A 62 -3.223 2.242 -7.815 1.00 0.00 O ATOM 952 CB ASN A 62 -2.998 5.148 -9.115 1.00 0.00 C ATOM 953 CG ASN A 62 -2.917 5.718 -10.519 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.010 6.926 -10.712 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.744 4.847 -11.509 1.00 0.00 N ATOM 0 H ASN A 62 -5.309 5.822 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.089 3.454 -9.869 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.169 5.954 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.047 4.685 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.684 5.176 -12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.671 3.850 -11.305 1.00 0.00 H new ATOM 962 N ALA A 63 -4.614 3.585 -6.671 1.00 0.00 N ATOM 963 CA ALA A 63 -4.558 2.795 -5.451 1.00 0.00 C ATOM 964 C ALA A 63 -5.430 1.554 -5.584 1.00 0.00 C ATOM 965 O ALA A 63 -5.073 0.490 -5.085 1.00 0.00 O ATOM 966 CB ALA A 63 -5.010 3.663 -4.276 1.00 0.00 C ATOM 0 H ALA A 63 -5.201 4.417 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.536 2.462 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.971 3.079 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.350 4.526 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.031 4.004 -4.447 1.00 0.00 H new ATOM 972 N ARG A 64 -6.575 1.682 -6.261 1.00 0.00 N ATOM 973 CA ARG A 64 -7.483 0.564 -6.484 1.00 0.00 C ATOM 974 C ARG A 64 -6.867 -0.434 -7.459 1.00 0.00 C ATOM 975 O ARG A 64 -7.202 -1.616 -7.425 1.00 0.00 O ATOM 976 CB ARG A 64 -8.806 1.092 -7.049 1.00 0.00 C ATOM 977 CG ARG A 64 -9.562 1.977 -6.057 1.00 0.00 C ATOM 978 CD ARG A 64 -10.097 1.178 -4.872 1.00 0.00 C ATOM 979 NE ARG A 64 -10.798 2.059 -3.931 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.640 1.644 -2.981 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.910 0.348 -2.820 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.216 2.536 -2.184 1.00 0.00 N ATOM 0 H ARG A 64 -6.894 2.562 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.664 0.057 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.607 1.660 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.437 0.250 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.900 2.763 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.391 2.468 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.775 0.402 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.274 0.675 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.630 3.062 -4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.471 -0.344 -3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.556 0.048 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.014 3.529 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.860 2.228 -1.456 1.00 0.00 H new ATOM 996 N ALA A 65 -5.966 0.032 -8.329 1.00 0.00 N ATOM 997 CA ALA A 65 -5.313 -0.846 -9.285 1.00 0.00 C ATOM 998 C ALA A 65 -4.182 -1.631 -8.626 1.00 0.00 C ATOM 999 O ALA A 65 -3.931 -2.777 -8.993 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.796 -0.001 -10.445 1.00 0.00 C ATOM 0 H ALA A 65 -5.678 1.009 -8.386 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.029 -1.578 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.302 -0.645 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.631 0.512 -10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.084 0.735 -10.070 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.493 -1.031 -7.652 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.405 -1.707 -6.970 1.00 0.00 C ATOM 1008 C ALA A 66 -2.934 -2.658 -5.899 1.00 0.00 C ATOM 1009 O ALA A 66 -2.358 -3.718 -5.678 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.496 -0.646 -6.370 1.00 0.00 C ATOM 0 H ALA A 66 -3.674 -0.082 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.843 -2.317 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.668 -1.128 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.105 -0.010 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.063 -0.038 -5.665 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.032 -2.286 -5.235 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.675 -3.145 -4.251 1.00 0.00 C ATOM 1018 C VAL A 67 -5.260 -4.376 -4.936 1.00 0.00 C ATOM 1019 O VAL A 67 -5.280 -5.455 -4.350 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.761 -2.342 -3.535 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.663 -3.243 -2.692 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.106 -1.310 -2.616 1.00 0.00 C ATOM 0 H VAL A 67 -4.494 -1.386 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.946 -3.489 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.370 -1.853 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.423 -2.637 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.147 -3.978 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.064 -3.757 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.879 -0.736 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.486 -1.821 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.486 -0.637 -3.208 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.736 -4.230 -6.174 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.276 -5.357 -6.915 1.00 0.00 C ATOM 1034 C ALA A 68 -5.199 -6.062 -7.741 1.00 0.00 C ATOM 1035 O ALA A 68 -5.451 -7.135 -8.285 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.412 -4.862 -7.812 1.00 0.00 C ATOM 0 H ALA A 68 -5.756 -3.343 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.659 -6.091 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.824 -5.701 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.194 -4.417 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.028 -4.115 -8.507 1.00 0.00 H new ATOM 1042 N GLY A 69 -4.004 -5.473 -7.839 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.918 -6.017 -8.644 1.00 0.00 C ATOM 1044 C GLY A 69 -1.809 -6.677 -7.820 1.00 0.00 C ATOM 1045 O GLY A 69 -0.961 -7.354 -8.395 1.00 0.00 O ATOM 0 H GLY A 69 -3.767 -4.604 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.326 -6.750 -9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.485 -5.216 -9.243 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.798 -6.496 -6.496 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.714 -6.991 -5.651 1.00 0.00 C ATOM 1051 C GLU A 70 -1.225 -7.672 -4.380 1.00 0.00 C ATOM 1052 O GLU A 70 -0.495 -8.453 -3.774 1.00 0.00 O ATOM 1053 CB GLU A 70 0.197 -5.820 -5.274 1.00 0.00 C ATOM 1054 CG GLU A 70 1.076 -5.370 -6.442 1.00 0.00 C ATOM 1055 CD GLU A 70 2.226 -6.352 -6.661 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.139 -6.361 -5.809 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.193 -7.087 -7.671 1.00 0.00 O ATOM 0 H GLU A 70 -2.534 -6.007 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.166 -7.742 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.413 -4.982 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.831 -6.110 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.476 -5.297 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.474 -4.375 -6.242 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.459 -7.408 -3.944 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.975 -8.060 -2.750 1.00 0.00 C ATOM 1066 C ASP A 71 -3.029 -9.572 -2.963 1.00 0.00 C ATOM 1067 O ASP A 71 -3.755 -10.057 -3.831 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.356 -7.499 -2.419 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.936 -8.137 -1.158 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.141 -8.433 -0.240 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.175 -8.326 -1.117 1.00 0.00 O ATOM 0 H ASP A 71 -3.105 -6.759 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.312 -7.863 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.288 -6.420 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.030 -7.672 -3.258 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.256 -10.327 -2.170 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.225 -11.778 -2.276 1.00 0.00 C ATOM 1078 C GLY A 72 -1.185 -12.232 -3.289 1.00 0.00 C ATOM 1079 O GLY A 72 -1.142 -13.409 -3.642 1.00 0.00 O ATOM 0 H GLY A 72 -1.644 -9.947 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.001 -12.212 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.208 -12.145 -2.570 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.342 -11.305 -3.759 1.00 0.00 N ATOM 1084 CA ARG A 73 0.793 -11.648 -4.597 1.00 0.00 C ATOM 1085 C ARG A 73 1.850 -12.233 -3.670 1.00 0.00 C ATOM 1086 O ARG A 73 1.711 -12.151 -2.449 1.00 0.00 O ATOM 1087 CB ARG A 73 1.279 -10.420 -5.368 1.00 0.00 C ATOM 1088 CG ARG A 73 2.083 -9.476 -4.469 1.00 0.00 C ATOM 1089 CD ARG A 73 3.576 -9.592 -4.780 1.00 0.00 C ATOM 1090 NE ARG A 73 3.857 -9.065 -6.119 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.709 -9.576 -7.010 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.429 -10.664 -6.745 1.00 0.00 N ATOM 1093 NH2 ARG A 73 4.838 -8.982 -8.190 1.00 0.00 N ATOM 0 H ARG A 73 -0.433 -10.307 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 73 0.535 -12.382 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.896 -10.737 -6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.423 -9.888 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.752 -8.449 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.903 -9.718 -3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.153 -9.043 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.888 -10.635 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 73 3.351 -8.224 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.337 -11.129 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.073 -11.033 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.291 -8.148 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.485 -9.359 -8.883 1.00 0.00 H new ATOM 1107 N MET A 74 2.905 -12.821 -4.223 1.00 0.00 N ATOM 1108 CA MET A 74 3.919 -13.454 -3.403 1.00 0.00 C ATOM 1109 C MET A 74 5.228 -12.702 -3.557 1.00 0.00 C ATOM 1110 O MET A 74 5.754 -12.576 -4.661 1.00 0.00 O ATOM 1111 CB MET A 74 4.038 -14.926 -3.783 1.00 0.00 C ATOM 1112 CG MET A 74 4.954 -15.653 -2.799 1.00 0.00 C ATOM 1113 SD MET A 74 4.670 -17.440 -2.743 1.00 0.00 S ATOM 1114 CE MET A 74 3.045 -17.426 -1.939 1.00 0.00 C ATOM 0 H MET A 74 3.076 -12.870 -5.227 1.00 0.00 H new ATOM 0 HA MET A 74 3.642 -13.416 -2.350 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.052 -15.390 -3.783 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.434 -15.017 -4.795 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.992 -15.466 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.808 -15.237 -1.802 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.108 -17.943 -0.982 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.729 -16.396 -1.774 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.319 -17.930 -2.577 1.00 0.00 H new ATOM 1124 N ILE A 75 5.747 -12.197 -2.437 1.00 0.00 N ATOM 1125 CA ILE A 75 7.000 -11.459 -2.426 1.00 0.00 C ATOM 1126 C ILE A 75 7.936 -12.039 -1.375 1.00 0.00 C ATOM 1127 O ILE A 75 7.513 -12.348 -0.261 1.00 0.00 O ATOM 1128 CB ILE A 75 6.703 -9.963 -2.240 1.00 0.00 C ATOM 1129 CG1 ILE A 75 6.959 -9.273 -3.584 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.530 -9.345 -1.109 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.632 -7.781 -3.564 1.00 0.00 C ATOM 0 H ILE A 75 5.310 -12.290 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 75 7.521 -11.560 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 75 5.664 -9.825 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.005 -9.406 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.361 -9.759 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.285 -8.287 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.303 -9.854 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.591 -9.454 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.835 -7.351 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.579 -7.643 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.248 -7.283 -2.815 1.00 0.00 H new ATOM 1143 N ALA A 76 9.212 -12.185 -1.736 1.00 0.00 N ATOM 1144 CA ALA A 76 10.203 -12.845 -0.901 1.00 0.00 C ATOM 1145 C ALA A 76 9.758 -14.252 -0.489 1.00 0.00 C ATOM 1146 O ALA A 76 10.283 -14.812 0.473 1.00 0.00 O ATOM 1147 CB ALA A 76 10.548 -11.963 0.296 1.00 0.00 C ATOM 0 H ALA A 76 9.584 -11.845 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 76 11.113 -12.983 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.291 -12.465 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.951 -11.013 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.649 -11.780 0.884 1.00 0.00 H new ATOM 1153 N GLY A 77 8.794 -14.823 -1.218 1.00 0.00 N ATOM 1154 CA GLY A 77 8.267 -16.146 -0.931 1.00 0.00 C ATOM 1155 C GLY A 77 7.110 -16.100 0.065 1.00 0.00 C ATOM 1156 O GLY A 77 6.617 -17.149 0.480 1.00 0.00 O ATOM 0 H GLY A 77 8.361 -14.373 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.929 -16.610 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.063 -16.774 -0.532 1.00 0.00 H new ATOM 1160 N GLN A 78 6.668 -14.899 0.454 1.00 0.00 N ATOM 1161 CA GLN A 78 5.584 -14.727 1.405 1.00 0.00 C ATOM 1162 C GLN A 78 4.487 -13.825 0.824 1.00 0.00 C ATOM 1163 O GLN A 78 4.769 -12.778 0.244 1.00 0.00 O ATOM 1164 CB GLN A 78 6.192 -14.199 2.709 1.00 0.00 C ATOM 1165 CG GLN A 78 5.143 -13.789 3.742 1.00 0.00 C ATOM 1166 CD GLN A 78 5.257 -12.301 4.042 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.153 -11.472 3.009 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.437 -11.902 5.188 1.00 0.00 N flip ATOM 0 H GLN A 78 7.059 -14.021 0.112 1.00 0.00 H new ATOM 0 HA GLN A 78 5.086 -15.673 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.835 -14.967 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.826 -13.341 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.145 -14.017 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.279 -14.364 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.512 -12.570 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.512 -10.902 5.374 1.00 0.00 H new ATOM 1177 N VAL A 79 3.227 -14.241 0.984 1.00 0.00 N ATOM 1178 CA VAL A 79 2.051 -13.539 0.484 1.00 0.00 C ATOM 1179 C VAL A 79 1.914 -12.169 1.143 1.00 0.00 C ATOM 1180 O VAL A 79 2.184 -12.034 2.333 1.00 0.00 O ATOM 1181 CB VAL A 79 0.809 -14.384 0.788 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.456 -13.692 0.291 1.00 0.00 C ATOM 1183 CG2 VAL A 79 0.905 -15.752 0.116 1.00 0.00 C ATOM 0 H VAL A 79 2.995 -15.101 1.480 1.00 0.00 H new ATOM 0 HA VAL A 79 2.154 -13.390 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 79 0.760 -14.507 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.323 -14.312 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.560 -12.726 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.390 -13.543 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.012 -16.334 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.986 -15.622 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.786 -16.278 0.485 1.00 0.00 H new ATOM 1193 N LEU A 80 1.499 -11.163 0.374 1.00 0.00 N ATOM 1194 CA LEU A 80 1.251 -9.832 0.913 1.00 0.00 C ATOM 1195 C LEU A 80 -0.229 -9.615 1.210 1.00 0.00 C ATOM 1196 O LEU A 80 -1.089 -10.283 0.638 1.00 0.00 O ATOM 1197 CB LEU A 80 1.750 -8.750 -0.052 1.00 0.00 C ATOM 1198 CG LEU A 80 3.213 -8.940 -0.451 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.665 -7.711 -1.231 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.106 -9.084 0.775 1.00 0.00 C ATOM 0 H LEU A 80 1.328 -11.248 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 80 1.804 -9.756 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.130 -8.756 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.629 -7.772 0.413 1.00 0.00 H new ATOM 0 HG LEU A 80 3.294 -9.846 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.708 -7.829 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.048 -7.599 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.563 -6.825 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.140 -9.218 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.028 -8.187 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.790 -9.950 1.356 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.521 -8.672 2.108 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.881 -8.266 2.413 1.00 0.00 C ATOM 1214 C ASP A 81 -1.990 -6.766 2.168 1.00 0.00 C ATOM 1215 O ASP A 81 -1.518 -5.963 2.970 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.240 -8.637 3.853 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.707 -8.335 4.141 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.549 -8.766 3.324 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.977 -7.675 5.168 1.00 0.00 O ATOM 0 H ASP A 81 0.188 -8.170 2.643 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.591 -8.787 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.042 -9.696 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.607 -8.081 4.545 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.613 -6.392 1.050 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.611 -5.017 0.573 1.00 0.00 C ATOM 1226 C ILE A 82 -4.039 -4.477 0.489 1.00 0.00 C ATOM 1227 O ILE A 82 -4.954 -5.189 0.079 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.882 -4.979 -0.771 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.416 -5.356 -0.528 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.955 -3.587 -1.404 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.249 -5.810 -1.817 1.00 0.00 C ATOM 0 H ILE A 82 -3.132 -7.036 0.453 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.084 -4.365 1.270 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.357 -5.681 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.121 -4.500 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.359 -6.152 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.428 -3.593 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.998 -3.316 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.491 -2.860 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.288 -6.072 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.276 -6.681 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.212 -5.003 -2.549 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.224 -3.215 0.881 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.519 -2.546 0.858 1.00 0.00 C ATOM 1245 C ASN A 83 -5.335 -1.031 0.915 1.00 0.00 C ATOM 1246 O ASN A 83 -4.229 -0.548 1.145 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.359 -3.036 2.045 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.619 -2.920 3.372 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.063 -3.894 3.863 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.606 -1.728 3.959 1.00 0.00 N ATOM 0 H ASN A 83 -3.467 -2.625 1.227 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.037 -2.786 -0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.282 -2.458 2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.642 -4.076 1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.122 -1.603 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.080 -0.938 3.521 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.417 -0.272 0.705 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.370 1.180 0.821 1.00 0.00 C ATOM 1259 C LEU A 84 -5.979 1.551 2.247 1.00 0.00 C ATOM 1260 O LEU A 84 -6.293 0.824 3.184 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.735 1.806 0.527 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.246 1.700 -0.915 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.202 2.219 -1.901 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -8.650 0.273 -1.284 1.00 0.00 C ATOM 0 H LEU A 84 -7.333 -0.644 0.454 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.644 1.554 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.471 1.341 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.690 2.862 0.795 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.139 2.322 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.587 2.134 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.983 3.264 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.289 1.630 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.005 0.250 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.788 -0.387 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.445 -0.063 -0.619 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.298 2.688 2.414 1.00 0.00 N ATOM 1277 CA ALA A 85 -4.908 3.160 3.733 1.00 0.00 C ATOM 1278 C ALA A 85 -6.112 3.658 4.542 1.00 0.00 C ATOM 1279 O ALA A 85 -5.935 4.174 5.644 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.848 4.249 3.586 1.00 0.00 C ATOM 0 H ALA A 85 -5.008 3.295 1.647 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.487 2.324 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.553 4.605 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.977 3.842 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.256 5.078 3.008 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.329 3.508 4.006 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.547 3.960 4.664 1.00 0.00 C ATOM 1288 C ALA A 86 -9.690 2.949 4.538 1.00 0.00 C ATOM 1289 O ALA A 86 -10.757 3.158 5.111 1.00 0.00 O ATOM 1290 CB ALA A 86 -8.951 5.288 4.031 1.00 0.00 C ATOM 0 H ALA A 86 -7.491 3.067 3.100 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.350 4.073 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.863 5.654 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.152 6.016 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.127 5.144 2.965 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.481 1.856 3.798 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.485 0.822 3.607 1.00 0.00 C ATOM 1298 C GLU A 87 -9.822 -0.553 3.698 1.00 0.00 C ATOM 1299 O GLU A 87 -9.709 -1.255 2.691 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.204 1.006 2.266 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.986 2.322 2.181 1.00 0.00 C ATOM 1302 CD GLU A 87 -13.141 2.398 3.185 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -13.607 1.328 3.636 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -13.555 3.537 3.501 1.00 0.00 O ATOM 0 H GLU A 87 -8.603 1.669 3.314 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.237 0.900 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.471 0.972 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.889 0.172 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.305 3.155 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.381 2.439 1.172 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.374 -0.948 4.897 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.789 -2.253 5.136 1.00 0.00 C ATOM 1313 C PRO A 88 -9.860 -3.314 4.892 1.00 0.00 C ATOM 1314 O PRO A 88 -11.028 -3.089 5.203 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.269 -2.208 6.574 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.153 -1.155 7.243 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.430 -0.165 6.116 1.00 0.00 C ATOM 0 HA PRO A 88 -7.963 -2.506 4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.360 -3.178 7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.216 -1.930 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.074 -1.590 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.646 -0.678 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.406 0.306 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.690 0.635 6.104 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.469 -4.465 4.334 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.425 -5.457 3.851 1.00 0.00 C ATOM 1327 C LYS A 89 -11.403 -5.926 4.926 1.00 0.00 C ATOM 1328 O LYS A 89 -12.611 -5.840 4.725 1.00 0.00 O ATOM 1329 CB LYS A 89 -9.699 -6.660 3.241 1.00 0.00 C ATOM 1330 CG LYS A 89 -8.460 -7.090 4.039 1.00 0.00 C ATOM 1331 CD LYS A 89 -8.049 -8.518 3.673 1.00 0.00 C ATOM 1332 CE LYS A 89 -7.795 -8.701 2.174 1.00 0.00 C ATOM 1333 NZ LYS A 89 -6.624 -7.933 1.721 1.00 0.00 N ATOM 0 H LYS A 89 -8.492 -4.730 4.207 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.015 -4.958 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.391 -7.500 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.400 -6.416 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.636 -6.406 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.670 -7.029 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.147 -8.783 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.831 -9.208 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.642 -9.758 1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.676 -8.385 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.494 -8.069 0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.773 -6.923 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.776 -8.264 2.224 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.899 -6.419 6.059 1.00 0.00 N ATOM 1348 CA VAL A 90 -11.763 -6.910 7.123 1.00 0.00 C ATOM 1349 C VAL A 90 -11.058 -6.884 8.472 1.00 0.00 C ATOM 1350 O VAL A 90 -11.673 -6.587 9.493 1.00 0.00 O ATOM 1351 CB VAL A 90 -12.199 -8.335 6.776 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -11.028 -9.310 6.623 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -13.192 -8.864 7.809 1.00 0.00 C ATOM 0 H VAL A 90 -9.901 -6.487 6.259 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.634 -6.259 7.204 1.00 0.00 H new ATOM 0 HB VAL A 90 -12.684 -8.272 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.409 -10.301 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.370 -8.966 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.470 -9.358 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.488 -9.878 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.724 -8.869 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.073 -8.222 7.829 1.00 0.00 H new ATOM 1363 N ASN A 91 -9.761 -7.198 8.469 1.00 0.00 N ATOM 1364 CA ASN A 91 -8.949 -7.171 9.670 1.00 0.00 C ATOM 1365 C ASN A 91 -7.570 -6.594 9.366 1.00 0.00 C ATOM 1366 O ASN A 91 -7.163 -6.515 8.207 1.00 0.00 O ATOM 1367 CB ASN A 91 -8.801 -8.582 10.250 1.00 0.00 C ATOM 1368 CG ASN A 91 -10.130 -9.162 10.703 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -10.690 -10.059 9.900 1.00 0.00 O flip ATOM 1370 ND2 ASN A 91 -10.646 -8.811 11.759 1.00 0.00 N flip ATOM 0 H ASN A 91 -9.252 -7.477 7.630 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.447 -6.537 10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.359 -9.236 9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.112 -8.555 11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.183 -8.119 12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.538 -9.212 12.049 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.854 -6.193 10.421 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.477 -5.736 10.317 1.00 0.00 C ATOM 1379 C ARG A 92 -4.533 -6.873 10.691 1.00 0.00 C ATOM 1380 O ARG A 92 -3.538 -7.101 10.007 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.294 -4.525 11.235 1.00 0.00 C ATOM 1382 CG ARG A 92 -3.819 -4.128 11.286 1.00 0.00 C ATOM 1383 CD ARG A 92 -3.615 -2.871 12.126 1.00 0.00 C ATOM 1384 NE ARG A 92 -4.080 -3.063 13.507 1.00 0.00 N ATOM 1385 CZ ARG A 92 -3.287 -3.291 14.559 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -1.964 -3.345 14.432 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -3.826 -3.468 15.761 1.00 0.00 N ATOM 0 H ARG A 92 -7.221 -6.179 11.373 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.245 -5.436 9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.892 -3.689 10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.651 -4.761 12.238 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.233 -4.947 11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.451 -3.957 10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.558 -2.603 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.153 -2.038 11.673 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.085 -3.019 13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.534 -3.211 13.517 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.380 -3.520 15.250 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.839 -3.429 15.876 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.227 -3.642 16.568 1.00 0.00 H new ATOM 1401 N GLY A 93 -4.848 -7.584 11.773 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.094 -8.740 12.221 1.00 0.00 C ATOM 1403 C GLY A 93 -2.630 -8.425 12.500 1.00 0.00 C ATOM 1404 O GLY A 93 -2.253 -7.277 12.734 1.00 0.00 O ATOM 0 H GLY A 93 -5.647 -7.365 12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.553 -9.138 13.126 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.154 -9.521 11.464 1.00 0.00 H new ATOM 1408 N LYS A 94 -1.809 -9.477 12.470 1.00 0.00 N ATOM 1409 CA LYS A 94 -0.375 -9.377 12.674 1.00 0.00 C ATOM 1410 C LYS A 94 0.385 -10.342 11.769 1.00 0.00 C ATOM 1411 O LYS A 94 1.516 -10.056 11.385 1.00 0.00 O ATOM 1412 CB LYS A 94 -0.081 -9.696 14.134 1.00 0.00 C ATOM 1413 CG LYS A 94 1.382 -9.375 14.420 1.00 0.00 C ATOM 1414 CD LYS A 94 1.666 -9.446 15.921 1.00 0.00 C ATOM 1415 CE LYS A 94 1.406 -10.852 16.462 1.00 0.00 C ATOM 1416 NZ LYS A 94 1.704 -10.931 17.905 1.00 0.00 N ATOM 0 H LYS A 94 -2.132 -10.430 12.301 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.046 -8.368 12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.730 -9.112 14.786 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.284 -10.747 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.024 -10.078 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.621 -8.380 14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.701 -9.165 16.112 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.038 -8.728 16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.365 -11.125 16.287 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.020 -11.572 15.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.519 -11.896 18.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.703 -10.693 18.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.100 -10.260 18.421 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.229 -11.480 11.428 1.00 0.00 N ATOM 1431 CA ALA A 95 0.386 -12.475 10.568 1.00 0.00 C ATOM 1432 C ALA A 95 -0.684 -13.295 9.851 1.00 0.00 C ATOM 1433 O ALA A 95 -1.731 -13.597 10.426 1.00 0.00 O ATOM 1434 CB ALA A 95 1.271 -13.384 11.423 1.00 0.00 C ATOM 0 H ALA A 95 -1.166 -11.729 11.745 1.00 0.00 H new ATOM 0 HA ALA A 95 0.993 -11.979 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.739 -14.137 10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.043 -12.788 11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.662 -13.876 12.181 1.00 0.00 H new ATOM 1440 N GLY A 96 -0.418 -13.654 8.593 1.00 0.00 N ATOM 1441 CA GLY A 96 -1.316 -14.477 7.795 1.00 0.00 C ATOM 1442 C GLY A 96 -1.126 -15.964 8.081 1.00 0.00 C ATOM 1443 O GLY A 96 -1.948 -16.780 7.665 1.00 0.00 O ATOM 0 H GLY A 96 0.432 -13.378 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.348 -14.196 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.141 -14.285 6.736 1.00 0.00 H new ATOM 1447 N VAL A 97 -0.048 -16.321 8.788 1.00 0.00 N ATOM 1448 CA VAL A 97 0.230 -17.703 9.159 1.00 0.00 C ATOM 1449 C VAL A 97 -0.146 -17.903 10.623 1.00 0.00 C ATOM 1450 O VAL A 97 0.277 -17.131 11.481 1.00 0.00 O ATOM 1451 CB VAL A 97 1.702 -18.042 8.898 1.00 0.00 C ATOM 1452 CG1 VAL A 97 1.975 -19.510 9.232 1.00 0.00 C ATOM 1453 CG2 VAL A 97 2.041 -17.810 7.427 1.00 0.00 C ATOM 0 H VAL A 97 0.653 -15.657 9.116 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.366 -18.382 8.549 1.00 0.00 H new ATOM 0 HB VAL A 97 2.316 -17.399 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.024 -19.737 9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.749 -19.692 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.347 -20.148 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.089 -18.054 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.412 -18.446 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.865 -16.765 7.173 1.00 0.00 H new ATOM 1463 N LYS A 98 -0.943 -18.940 10.904 1.00 0.00 N ATOM 1464 CA LYS A 98 -1.476 -19.188 12.237 1.00 0.00 C ATOM 1465 C LYS A 98 -1.240 -20.627 12.690 1.00 0.00 C ATOM 1466 O LYS A 98 -1.826 -21.072 13.677 1.00 0.00 O ATOM 1467 CB LYS A 98 -2.959 -18.812 12.243 1.00 0.00 C ATOM 1468 CG LYS A 98 -3.126 -17.338 11.856 1.00 0.00 C ATOM 1469 CD LYS A 98 -4.592 -17.032 11.563 1.00 0.00 C ATOM 1470 CE LYS A 98 -4.733 -15.592 11.066 1.00 0.00 C ATOM 1471 NZ LYS A 98 -4.361 -14.618 12.106 1.00 0.00 N ATOM 0 H LYS A 98 -1.233 -19.628 10.209 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.947 -18.568 12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.506 -19.445 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.384 -18.988 13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.768 -16.700 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.518 -17.114 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.974 -17.724 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.190 -17.176 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.103 -15.446 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.762 -15.414 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.132 -13.932 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.192 -15.116 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.496 -14.118 11.819 1.00 0.00 H new ATOM 1485 N ARG A 99 -0.380 -21.351 11.967 1.00 0.00 N ATOM 1486 CA ARG A 99 0.000 -22.727 12.258 1.00 0.00 C ATOM 1487 C ARG A 99 1.494 -22.789 12.544 1.00 0.00 C ATOM 1488 O ARG A 99 2.214 -21.813 12.345 1.00 0.00 O ATOM 1489 CB ARG A 99 -0.365 -23.641 11.081 1.00 0.00 C ATOM 1490 CG ARG A 99 -1.708 -24.348 11.302 1.00 0.00 C ATOM 1491 CD ARG A 99 -2.893 -23.385 11.308 1.00 0.00 C ATOM 1492 NE ARG A 99 -3.045 -22.702 10.015 1.00 0.00 N ATOM 1493 CZ ARG A 99 -4.061 -21.888 9.715 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -5.018 -21.639 10.604 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -4.122 -21.316 8.515 1.00 0.00 N ATOM 0 H ARG A 99 0.083 -20.979 11.138 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.544 -23.074 13.136 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.411 -23.052 10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.419 -24.386 10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.855 -25.092 10.519 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.678 -24.885 12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.806 -23.933 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.757 -22.645 12.097 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.331 -22.859 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.982 -22.071 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.788 -21.016 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.393 -21.499 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.897 -20.694 8.285 1.00 0.00 H new ATOM 1509 N SER A 100 1.961 -23.948 13.010 1.00 0.00 N ATOM 1510 CA SER A 100 3.369 -24.162 13.306 1.00 0.00 C ATOM 1511 C SER A 100 4.190 -24.260 12.020 1.00 0.00 C ATOM 1512 O SER A 100 5.419 -24.212 12.054 1.00 0.00 O ATOM 1513 CB SER A 100 3.511 -25.453 14.108 1.00 0.00 C ATOM 1514 OG SER A 100 4.804 -25.544 14.667 1.00 0.00 O ATOM 0 H SER A 100 1.371 -24.760 13.191 1.00 0.00 H new ATOM 0 HA SER A 100 3.744 -23.316 13.882 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.763 -25.481 14.900 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.325 -26.312 13.463 1.00 0.00 H new ATOM 0 HG SER A 100 5.451 -25.117 14.067 1.00 0.00 H new ATOM 1520 N ALA A 101 3.501 -24.402 10.882 1.00 0.00 N ATOM 1521 CA ALA A 101 4.105 -24.618 9.573 1.00 0.00 C ATOM 1522 C ALA A 101 5.034 -25.838 9.532 1.00 0.00 C ATOM 1523 O ALA A 101 5.736 -26.047 8.544 1.00 0.00 O ATOM 1524 CB ALA A 101 4.782 -23.328 9.104 1.00 0.00 C ATOM 0 H ALA A 101 2.482 -24.368 10.851 1.00 0.00 H new ATOM 0 HA ALA A 101 3.312 -24.863 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.234 -23.489 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.040 -22.532 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.555 -23.042 9.818 1.00 0.00 H new ATOM 1530 N ALA A 102 5.040 -26.646 10.597 1.00 0.00 N ATOM 1531 CA ALA A 102 5.855 -27.849 10.687 1.00 0.00 C ATOM 1532 C ALA A 102 5.162 -28.932 11.522 1.00 0.00 C ATOM 1533 O ALA A 102 5.756 -29.970 11.810 1.00 0.00 O ATOM 1534 CB ALA A 102 7.217 -27.487 11.287 1.00 0.00 C ATOM 0 H ALA A 102 4.471 -26.476 11.426 1.00 0.00 H new ATOM 0 HA ALA A 102 5.995 -28.257 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.833 -28.383 11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.713 -26.755 10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.076 -27.065 12.282 1.00 0.00 H new ATOM 1540 N GLU A 103 3.906 -28.697 11.919 1.00 0.00 N ATOM 1541 CA GLU A 103 3.170 -29.618 12.777 1.00 0.00 C ATOM 1542 C GLU A 103 2.709 -30.860 12.017 1.00 0.00 C ATOM 1543 O GLU A 103 2.201 -31.802 12.622 1.00 0.00 O ATOM 1544 CB GLU A 103 1.993 -28.890 13.427 1.00 0.00 C ATOM 1545 CG GLU A 103 1.032 -28.314 12.387 1.00 0.00 C ATOM 1546 CD GLU A 103 -0.017 -27.435 13.061 1.00 0.00 C ATOM 1547 OE1 GLU A 103 0.305 -26.253 13.317 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -1.130 -27.949 13.311 1.00 0.00 O ATOM 0 H GLU A 103 3.378 -27.866 11.653 1.00 0.00 H new ATOM 0 HA GLU A 103 3.842 -29.967 13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.454 -29.580 14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.369 -28.085 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.588 -27.730 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.543 -29.124 11.846 1.00 0.00 H new ATOM 1555 N MET A 104 2.887 -30.873 10.691 1.00 0.00 N ATOM 1556 CA MET A 104 2.551 -32.016 9.859 1.00 0.00 C ATOM 1557 C MET A 104 3.758 -32.945 9.697 1.00 0.00 C ATOM 1558 O MET A 104 3.672 -33.946 8.986 1.00 0.00 O ATOM 1559 CB MET A 104 2.040 -31.553 8.491 1.00 0.00 C ATOM 1560 CG MET A 104 0.764 -30.707 8.597 1.00 0.00 C ATOM 1561 SD MET A 104 0.977 -29.002 9.176 1.00 0.00 S ATOM 1562 CE MET A 104 1.995 -28.327 7.840 1.00 0.00 C ATOM 0 H MET A 104 3.270 -30.084 10.170 1.00 0.00 H new ATOM 0 HA MET A 104 1.756 -32.575 10.353 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.817 -30.972 7.994 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.844 -32.424 7.866 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.290 -30.679 7.616 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.073 -31.213 9.271 1.00 0.00 H new ATOM 0 HE1 MET A 104 1.939 -27.239 7.854 1.00 0.00 H new ATOM 0 HE2 MET A 104 3.030 -28.638 7.979 1.00 0.00 H new ATOM 0 HE3 MET A 104 1.630 -28.697 6.882 1.00 0.00 H new ATOM 1572 N TYR A 105 4.880 -32.617 10.347 1.00 0.00 N ATOM 1573 CA TYR A 105 6.123 -33.367 10.219 1.00 0.00 C ATOM 1574 C TYR A 105 6.761 -33.637 11.585 1.00 0.00 C ATOM 1575 O TYR A 105 7.859 -34.187 11.655 1.00 0.00 O ATOM 1576 CB TYR A 105 7.082 -32.593 9.312 1.00 0.00 C ATOM 1577 CG TYR A 105 6.447 -32.127 8.021 1.00 0.00 C ATOM 1578 CD1 TYR A 105 6.433 -32.962 6.891 1.00 0.00 C ATOM 1579 CD2 TYR A 105 5.861 -30.855 7.959 1.00 0.00 C ATOM 1580 CE1 TYR A 105 5.830 -32.525 5.702 1.00 0.00 C ATOM 1581 CE2 TYR A 105 5.254 -30.410 6.776 1.00 0.00 C ATOM 1582 CZ TYR A 105 5.236 -31.246 5.641 1.00 0.00 C ATOM 1583 OH TYR A 105 4.647 -30.816 4.489 1.00 0.00 O ATOM 0 H TYR A 105 4.946 -31.819 10.979 1.00 0.00 H new ATOM 0 HA TYR A 105 5.904 -34.338 9.774 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.463 -31.727 9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.939 -33.225 9.079 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.887 -33.941 6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.877 -30.214 8.828 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.820 -33.167 4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.802 -29.430 6.734 1.00 0.00 H new ATOM 0 HH TYR A 105 4.288 -29.914 4.622 1.00 0.00 H new ATOM 1593 N GLY A 106 6.079 -33.253 12.670 1.00 0.00 N ATOM 1594 CA GLY A 106 6.568 -33.444 14.028 1.00 0.00 C ATOM 1595 C GLY A 106 6.597 -34.921 14.405 1.00 0.00 C ATOM 1596 O GLY A 106 6.235 -35.773 13.597 1.00 0.00 O ATOM 1597 OXT GLY A 106 6.977 -35.286 15.505 1.00 0.00 O ATOM 0 H GLY A 106 5.167 -32.799 12.623 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.570 -33.024 14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.931 -32.901 14.726 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 3.705 -7.656 9.592 1.00 0.00 O ATOM 1603 C5' U B 1 2.887 -6.936 10.490 1.00 0.00 C ATOM 1604 C4' U B 1 2.386 -5.645 9.844 1.00 0.00 C ATOM 1605 O4' U B 1 1.598 -5.924 8.692 1.00 0.00 O ATOM 1606 C3' U B 1 1.489 -4.924 10.849 1.00 0.00 C ATOM 1607 O3' U B 1 1.544 -3.521 10.667 1.00 0.00 O ATOM 1608 C2' U B 1 0.127 -5.518 10.503 1.00 0.00 C ATOM 1609 O2' U B 1 -0.932 -4.634 10.789 1.00 0.00 O ATOM 1610 C1' U B 1 0.223 -5.765 9.005 1.00 0.00 C ATOM 1611 N1 U B 1 -0.573 -6.946 8.598 1.00 0.00 N ATOM 1612 C2 U B 1 -1.646 -6.754 7.740 1.00 0.00 C ATOM 1613 O2 U B 1 -1.959 -5.648 7.308 1.00 0.00 O ATOM 1614 N3 U B 1 -2.363 -7.885 7.384 1.00 0.00 N ATOM 1615 C4 U B 1 -2.129 -9.170 7.835 1.00 0.00 C ATOM 1616 O4 U B 1 -2.845 -10.103 7.478 1.00 0.00 O ATOM 1617 C5 U B 1 -1.000 -9.281 8.731 1.00 0.00 C ATOM 1618 C6 U B 1 -0.271 -8.194 9.072 1.00 0.00 C ATOM 0 H5' U B 1 3.449 -6.702 11.394 1.00 0.00 H new ATOM 0 H5'' U B 1 2.039 -7.551 10.791 1.00 0.00 H new ATOM 0 H4' U B 1 3.247 -5.042 9.557 1.00 0.00 H new ATOM 0 H3' U B 1 1.764 -5.058 11.895 1.00 0.00 H new ATOM 0 H2' U B 1 -0.087 -6.414 11.085 1.00 0.00 H new ATOM 0 HO2' U B 1 -0.765 -4.190 11.646 1.00 0.00 H new ATOM 0 HO5' U B 1 3.905 -7.097 8.812 1.00 0.00 H new ATOM 0 H1' U B 1 -0.193 -4.922 8.453 1.00 0.00 H new ATOM 0 H3 U B 1 -3.134 -7.757 6.729 1.00 0.00 H new ATOM 0 H5 U B 1 -0.735 -10.247 9.134 1.00 0.00 H new ATOM 0 H6 U B 1 0.572 -8.314 9.736 1.00 0.00 H new ATOM 1629 P U B 2 1.239 -2.536 11.910 1.00 0.00 P ATOM 1630 OP1 U B 2 2.412 -2.574 12.813 1.00 0.00 O ATOM 1631 OP2 U B 2 -0.100 -2.869 12.448 1.00 0.00 O ATOM 1632 O5' U B 2 1.155 -1.066 11.259 1.00 0.00 O ATOM 1633 C5' U B 2 0.134 -0.735 10.344 1.00 0.00 C ATOM 1634 C4' U B 2 0.061 0.785 10.162 1.00 0.00 C ATOM 1635 O4' U B 2 -0.704 1.072 8.999 1.00 0.00 O ATOM 1636 C3' U B 2 -0.667 1.425 11.346 1.00 0.00 C ATOM 1637 O3' U B 2 -0.289 2.780 11.518 1.00 0.00 O ATOM 1638 C2' U B 2 -2.110 1.352 10.862 1.00 0.00 C ATOM 1639 O2' U B 2 -2.954 2.265 11.537 1.00 0.00 O ATOM 1640 C1' U B 2 -1.916 1.700 9.392 1.00 0.00 C ATOM 1641 N1 U B 2 -3.066 1.296 8.549 1.00 0.00 N ATOM 1642 C2 U B 2 -3.637 2.281 7.756 1.00 0.00 C ATOM 1643 O2 U B 2 -3.215 3.434 7.724 1.00 0.00 O ATOM 1644 N3 U B 2 -4.721 1.904 6.986 1.00 0.00 N ATOM 1645 C4 U B 2 -5.263 0.636 6.918 1.00 0.00 C ATOM 1646 O4 U B 2 -6.217 0.408 6.179 1.00 0.00 O ATOM 1647 C5 U B 2 -4.615 -0.330 7.771 1.00 0.00 C ATOM 1648 C6 U B 2 -3.561 0.017 8.551 1.00 0.00 C ATOM 0 H5' U B 2 -0.823 -1.112 10.704 1.00 0.00 H new ATOM 0 H5'' U B 2 0.326 -1.215 9.384 1.00 0.00 H new ATOM 0 H4' U B 2 1.076 1.175 10.084 1.00 0.00 H new ATOM 0 H3' U B 2 -0.465 0.942 12.302 1.00 0.00 H new ATOM 0 H2' U B 2 -2.605 0.397 11.039 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.413 2.979 11.933 1.00 0.00 H new ATOM 0 H1' U B 2 -1.859 2.780 9.255 1.00 0.00 H new ATOM 0 H3 U B 2 -5.160 2.628 6.417 1.00 0.00 H new ATOM 0 H5 U B 2 -4.976 -1.348 7.789 1.00 0.00 H new ATOM 0 H6 U B 2 -3.103 -0.728 9.185 1.00 0.00 H new ATOM 1659 P U B 3 0.928 3.205 12.484 1.00 0.00 P ATOM 1660 OP1 U B 3 1.458 1.993 13.146 1.00 0.00 O ATOM 1661 OP2 U B 3 0.467 4.341 13.313 1.00 0.00 O ATOM 1662 O5' U B 3 2.061 3.771 11.485 1.00 0.00 O ATOM 1663 C5' U B 3 3.123 2.958 11.035 1.00 0.00 C ATOM 1664 C4' U B 3 4.075 3.738 10.118 1.00 0.00 C ATOM 1665 O4' U B 3 3.509 3.884 8.823 1.00 0.00 O ATOM 1666 C3' U B 3 4.367 5.134 10.665 1.00 0.00 C ATOM 1667 O3' U B 3 5.697 5.492 10.345 1.00 0.00 O ATOM 1668 C2' U B 3 3.342 5.983 9.921 1.00 0.00 C ATOM 1669 O2' U B 3 3.773 7.315 9.735 1.00 0.00 O ATOM 1670 C1' U B 3 3.207 5.249 8.591 1.00 0.00 C ATOM 1671 N1 U B 3 1.847 5.391 8.026 1.00 0.00 N ATOM 1672 C2 U B 3 1.722 5.988 6.779 1.00 0.00 C ATOM 1673 O2 U B 3 2.694 6.386 6.140 1.00 0.00 O ATOM 1674 N3 U B 3 0.435 6.117 6.286 1.00 0.00 N ATOM 1675 C4 U B 3 -0.723 5.702 6.920 1.00 0.00 C ATOM 1676 O4 U B 3 -1.819 5.863 6.390 1.00 0.00 O ATOM 1677 C5 U B 3 -0.501 5.093 8.208 1.00 0.00 C ATOM 1678 C6 U B 3 0.746 4.955 8.714 1.00 0.00 C ATOM 0 H5' U B 3 2.723 2.097 10.499 1.00 0.00 H new ATOM 0 H5'' U B 3 3.675 2.571 11.891 1.00 0.00 H new ATOM 0 H4' U B 3 5.003 3.168 10.069 1.00 0.00 H new ATOM 0 H3' U B 3 4.289 5.239 11.747 1.00 0.00 H new ATOM 0 H2' U B 3 2.403 6.083 10.466 1.00 0.00 H new ATOM 0 HO2' U B 3 4.200 7.638 10.556 1.00 0.00 H new ATOM 0 H1' U B 3 3.895 5.679 7.863 1.00 0.00 H new ATOM 0 H3 U B 3 0.331 6.558 5.372 1.00 0.00 H new ATOM 0 H5 U B 3 -1.347 4.740 8.780 1.00 0.00 H new ATOM 0 H6 U B 3 0.876 4.491 9.681 1.00 0.00 H new ATOM 1689 P U B 4 6.533 6.491 11.290 1.00 0.00 P ATOM 1690 OP1 U B 4 6.979 5.739 12.485 1.00 0.00 O ATOM 1691 OP2 U B 4 5.750 7.735 11.464 1.00 0.00 O ATOM 1692 O5' U B 4 7.820 6.835 10.391 1.00 0.00 O ATOM 1693 C5' U B 4 8.794 5.844 10.129 1.00 0.00 C ATOM 1694 C4' U B 4 9.794 6.304 9.068 1.00 0.00 C ATOM 1695 O4' U B 4 9.105 6.657 7.874 1.00 0.00 O ATOM 1696 C3' U B 4 10.584 7.526 9.536 1.00 0.00 C ATOM 1697 O3' U B 4 11.880 7.518 8.965 1.00 0.00 O ATOM 1698 C2' U B 4 9.766 8.662 8.942 1.00 0.00 C ATOM 1699 O2' U B 4 10.536 9.833 8.750 1.00 0.00 O ATOM 1700 C1' U B 4 9.284 8.045 7.634 1.00 0.00 C ATOM 1701 N1 U B 4 8.039 8.717 7.207 1.00 0.00 N ATOM 1702 C2 U B 4 8.168 9.880 6.461 1.00 0.00 C ATOM 1703 O2 U B 4 9.258 10.323 6.098 1.00 0.00 O ATOM 1704 N3 U B 4 6.992 10.532 6.135 1.00 0.00 N ATOM 1705 C4 U B 4 5.714 10.091 6.427 1.00 0.00 C ATOM 1706 O4 U B 4 4.738 10.732 6.051 1.00 0.00 O ATOM 1707 C5 U B 4 5.666 8.857 7.181 1.00 0.00 C ATOM 1708 C6 U B 4 6.805 8.225 7.546 1.00 0.00 C ATOM 0 H5' U B 4 8.303 4.930 9.795 1.00 0.00 H new ATOM 0 H5'' U B 4 9.325 5.603 11.050 1.00 0.00 H new ATOM 0 H4' U B 4 10.482 5.478 8.890 1.00 0.00 H new ATOM 0 H3' U B 4 10.721 7.583 10.616 1.00 0.00 H new ATOM 0 H2' U B 4 8.953 9.006 9.582 1.00 0.00 H new ATOM 0 HO2' U B 4 10.274 10.263 7.909 1.00 0.00 H new ATOM 0 H1' U B 4 10.001 8.175 6.823 1.00 0.00 H new ATOM 0 H3 U B 4 7.075 11.417 5.635 1.00 0.00 H new ATOM 0 H5 U B 4 4.710 8.436 7.455 1.00 0.00 H new ATOM 0 H6 U B 4 6.741 7.311 8.118 1.00 0.00 H new ATOM 1719 P C B 5 13.078 6.682 9.637 1.00 0.00 P ATOM 1720 OP1 C B 5 14.250 6.741 8.733 1.00 0.00 O ATOM 1721 OP2 C B 5 12.553 5.364 10.065 1.00 0.00 O ATOM 1722 O5' C B 5 13.412 7.548 10.952 1.00 0.00 O ATOM 1723 C5' C B 5 13.933 8.857 10.837 1.00 0.00 C ATOM 1724 C4' C B 5 14.209 9.428 12.227 1.00 0.00 C ATOM 1725 O4' C B 5 15.422 8.905 12.747 1.00 0.00 O ATOM 1726 C3' C B 5 14.455 10.927 12.152 1.00 0.00 C ATOM 1727 O3' C B 5 14.334 11.487 13.448 1.00 0.00 O ATOM 1728 C2' C B 5 15.901 10.949 11.661 1.00 0.00 C ATOM 1729 O2' C B 5 16.586 12.116 12.077 1.00 0.00 O ATOM 1730 C1' C B 5 16.516 9.678 12.264 1.00 0.00 C ATOM 1731 N1 C B 5 17.366 8.951 11.279 1.00 0.00 N ATOM 1732 C2 C B 5 17.505 7.566 11.376 1.00 0.00 C ATOM 1733 O2 C B 5 16.980 6.926 12.287 1.00 0.00 O ATOM 1734 N3 C B 5 18.244 6.913 10.438 1.00 0.00 N ATOM 1735 C4 C B 5 18.857 7.581 9.464 1.00 0.00 C ATOM 1736 N4 C B 5 19.568 6.894 8.571 1.00 0.00 N ATOM 1737 C5 C B 5 18.778 9.003 9.370 1.00 0.00 C ATOM 1738 C6 C B 5 18.029 9.641 10.297 1.00 0.00 C ATOM 0 H5' C B 5 13.226 9.494 10.306 1.00 0.00 H new ATOM 0 H5'' C B 5 14.852 8.842 10.251 1.00 0.00 H new ATOM 0 H4' C B 5 13.344 9.176 12.841 1.00 0.00 H new ATOM 0 H3' C B 5 13.768 11.492 11.522 1.00 0.00 H new ATOM 0 H2' C B 5 15.968 10.968 10.573 1.00 0.00 H new ATOM 0 HO2' C B 5 17.516 12.077 11.770 1.00 0.00 H new ATOM 0 HO3' C B 5 15.116 12.047 13.637 1.00 0.00 H new ATOM 0 H1' C B 5 17.200 9.910 13.080 1.00 0.00 H new ATOM 0 H41 C B 5 20.047 7.383 7.815 1.00 0.00 H new ATOM 0 H42 C B 5 19.633 5.879 8.643 1.00 0.00 H new ATOM 0 H5 C B 5 19.294 9.546 8.592 1.00 0.00 H new ATOM 0 H6 C B 5 17.951 10.718 10.263 1.00 0.00 H new TER 1750 C B 5