USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 483 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 19 MET CE :methyl 174:sc= -0.726 (180deg=-0.912) USER MOD Set 1.2: A 42 MET CE :methyl -169:sc= -0.0749 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00123 X(o=-0.0012,f=0) USER MOD Single : A 23 MET CE :methyl -158:sc= 0 (180deg=-0.462) USER MOD Single : A 26 CYS SG : rot 130:sc= -3.73 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0.0534 (180deg=0.0534) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 36:sc= -1.65! USER MOD Single : A 35 ASN : amide:sc= 1.1 K(o=1.1,f=-1.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 46 MET CE :methyl -114:sc= -2.85 (180deg=-7.55!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -17.2! C(o=-17!,f=-18!) USER MOD Single : A 49 MET CE :methyl -149:sc= -0.641 (180deg=-3.32!) USER MOD Single : A 56 ASN : amide:sc= -5.44! C(o=-5.4!,f=-8.4!) USER MOD Single : A 63 SER OG : rot -64:sc= -0.0538 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.373 18.649 1.508 1.00 0.00 N ATOM 2 CA GLY A 1 -9.193 19.493 1.577 1.00 0.00 C ATOM 3 C GLY A 1 -7.950 18.738 1.101 1.00 0.00 C ATOM 4 O GLY A 1 -7.364 17.963 1.855 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.202 19.184 1.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.524 18.344 0.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.238 17.814 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.341 20.381 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.045 19.835 2.601 1.00 0.00 H new ATOM 8 N SER A 2 -7.585 18.992 -0.147 1.00 0.00 N ATOM 9 CA SER A 2 -6.423 18.346 -0.733 1.00 0.00 C ATOM 10 C SER A 2 -5.223 18.475 0.208 1.00 0.00 C ATOM 11 O SER A 2 -4.650 17.471 0.629 1.00 0.00 O ATOM 12 CB SER A 2 -6.091 18.945 -2.101 1.00 0.00 C ATOM 13 OG SER A 2 -7.110 18.679 -3.062 1.00 0.00 O ATOM 0 H SER A 2 -8.074 19.636 -0.769 1.00 0.00 H new ATOM 0 HA SER A 2 -6.654 17.290 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.958 20.022 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.144 18.538 -2.455 1.00 0.00 H new ATOM 0 HG SER A 2 -6.862 19.079 -3.921 1.00 0.00 H new ATOM 19 N SER A 3 -4.879 19.718 0.510 1.00 0.00 N ATOM 20 CA SER A 3 -3.758 19.991 1.393 1.00 0.00 C ATOM 21 C SER A 3 -2.465 19.450 0.779 1.00 0.00 C ATOM 22 O SER A 3 -2.203 18.249 0.834 1.00 0.00 O ATOM 23 CB SER A 3 -3.985 19.380 2.777 1.00 0.00 C ATOM 24 OG SER A 3 -4.850 20.180 3.578 1.00 0.00 O ATOM 0 H SER A 3 -5.357 20.548 0.159 1.00 0.00 H new ATOM 0 HA SER A 3 -3.672 21.071 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.411 18.383 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.027 19.263 3.283 1.00 0.00 H new ATOM 0 HG SER A 3 -4.971 19.755 4.453 1.00 0.00 H new ATOM 30 N GLY A 4 -1.691 20.362 0.209 1.00 0.00 N ATOM 31 CA GLY A 4 -0.432 19.991 -0.414 1.00 0.00 C ATOM 32 C GLY A 4 0.483 19.276 0.582 1.00 0.00 C ATOM 33 O GLY A 4 0.360 18.069 0.787 1.00 0.00 O ATOM 0 H GLY A 4 -1.912 21.357 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.622 19.342 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.066 20.883 -0.795 1.00 0.00 H new ATOM 37 N SER A 5 1.379 20.050 1.175 1.00 0.00 N ATOM 38 CA SER A 5 2.314 19.505 2.145 1.00 0.00 C ATOM 39 C SER A 5 3.155 18.402 1.499 1.00 0.00 C ATOM 40 O SER A 5 2.739 17.245 1.455 1.00 0.00 O ATOM 41 CB SER A 5 1.581 18.963 3.373 1.00 0.00 C ATOM 42 OG SER A 5 2.484 18.527 4.385 1.00 0.00 O ATOM 0 H SER A 5 1.478 21.050 1.003 1.00 0.00 H new ATOM 0 HA SER A 5 2.972 20.309 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.930 19.738 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.941 18.132 3.076 1.00 0.00 H new ATOM 0 HG SER A 5 1.977 18.190 5.153 1.00 0.00 H new ATOM 48 N SER A 6 4.322 18.799 1.013 1.00 0.00 N ATOM 49 CA SER A 6 5.225 17.858 0.372 1.00 0.00 C ATOM 50 C SER A 6 5.399 16.618 1.250 1.00 0.00 C ATOM 51 O SER A 6 5.394 16.715 2.476 1.00 0.00 O ATOM 52 CB SER A 6 6.583 18.503 0.089 1.00 0.00 C ATOM 53 OG SER A 6 7.364 17.728 -0.816 1.00 0.00 O ATOM 0 H SER A 6 4.663 19.760 1.050 1.00 0.00 H new ATOM 0 HA SER A 6 4.788 17.561 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.432 19.500 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.128 18.626 1.025 1.00 0.00 H new ATOM 0 HG SER A 6 8.222 18.174 -0.972 1.00 0.00 H new ATOM 59 N GLY A 7 5.548 15.480 0.589 1.00 0.00 N ATOM 60 CA GLY A 7 5.723 14.221 1.294 1.00 0.00 C ATOM 61 C GLY A 7 4.737 13.167 0.787 1.00 0.00 C ATOM 62 O GLY A 7 4.674 12.896 -0.411 1.00 0.00 O ATOM 0 H GLY A 7 5.551 15.403 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.744 13.864 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.578 14.376 2.363 1.00 0.00 H new ATOM 66 N LEU A 8 3.992 12.601 1.725 1.00 0.00 N ATOM 67 CA LEU A 8 3.012 11.582 1.389 1.00 0.00 C ATOM 68 C LEU A 8 1.615 12.205 1.390 1.00 0.00 C ATOM 69 O LEU A 8 1.380 13.212 2.057 1.00 0.00 O ATOM 70 CB LEU A 8 3.149 10.378 2.322 1.00 0.00 C ATOM 71 CG LEU A 8 3.198 9.007 1.645 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.507 8.822 0.875 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.967 7.885 2.660 1.00 0.00 C ATOM 0 H LEU A 8 4.047 12.829 2.718 1.00 0.00 H new ATOM 0 HA LEU A 8 3.190 11.199 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.057 10.502 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.312 10.387 3.020 1.00 0.00 H new ATOM 0 HG LEU A 8 2.387 8.956 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.516 7.839 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.591 9.593 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.348 8.902 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.007 6.921 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.740 7.923 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.989 8.010 3.124 1.00 0.00 H new ATOM 85 N ASP A 9 0.722 11.580 0.636 1.00 0.00 N ATOM 86 CA ASP A 9 -0.646 12.061 0.542 1.00 0.00 C ATOM 87 C ASP A 9 -1.594 11.002 1.109 1.00 0.00 C ATOM 88 O ASP A 9 -1.815 9.964 0.486 1.00 0.00 O ATOM 89 CB ASP A 9 -1.040 12.318 -0.914 1.00 0.00 C ATOM 90 CG ASP A 9 -1.147 13.793 -1.304 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.933 14.635 -0.405 1.00 0.00 O ATOM 92 OD2 ASP A 9 -1.439 14.046 -2.492 1.00 0.00 O ATOM 0 H ASP A 9 0.919 10.745 0.085 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.716 12.992 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.307 11.838 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.999 11.837 -1.106 1.00 0.00 H new ATOM 97 N GLU A 10 -2.128 11.300 2.284 1.00 0.00 N ATOM 98 CA GLU A 10 -3.047 10.387 2.942 1.00 0.00 C ATOM 99 C GLU A 10 -4.368 10.317 2.172 1.00 0.00 C ATOM 100 O GLU A 10 -4.938 9.240 2.008 1.00 0.00 O ATOM 101 CB GLU A 10 -3.282 10.798 4.396 1.00 0.00 C ATOM 102 CG GLU A 10 -4.015 12.138 4.476 1.00 0.00 C ATOM 103 CD GLU A 10 -4.095 12.635 5.921 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.092 12.446 6.642 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.158 13.192 6.271 1.00 0.00 O ATOM 0 H GLU A 10 -1.942 12.161 2.798 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.599 9.393 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.864 10.030 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.327 10.871 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.499 12.876 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.020 12.031 4.068 1.00 0.00 H new ATOM 112 N SER A 11 -4.815 11.479 1.720 1.00 0.00 N ATOM 113 CA SER A 11 -6.057 11.563 0.972 1.00 0.00 C ATOM 114 C SER A 11 -6.103 10.465 -0.093 1.00 0.00 C ATOM 115 O SER A 11 -7.157 9.885 -0.346 1.00 0.00 O ATOM 116 CB SER A 11 -6.217 12.939 0.321 1.00 0.00 C ATOM 117 OG SER A 11 -7.333 13.652 0.847 1.00 0.00 O ATOM 0 H SER A 11 -4.339 12.371 1.858 1.00 0.00 H new ATOM 0 HA SER A 11 -6.884 11.421 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.309 13.521 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.338 12.819 -0.756 1.00 0.00 H new ATOM 0 HG SER A 11 -7.400 14.525 0.407 1.00 0.00 H new ATOM 123 N VAL A 12 -4.945 10.213 -0.687 1.00 0.00 N ATOM 124 CA VAL A 12 -4.840 9.194 -1.718 1.00 0.00 C ATOM 125 C VAL A 12 -4.993 7.812 -1.080 1.00 0.00 C ATOM 126 O VAL A 12 -5.703 6.957 -1.607 1.00 0.00 O ATOM 127 CB VAL A 12 -3.525 9.358 -2.482 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.192 8.094 -3.277 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.570 10.584 -3.396 1.00 0.00 C ATOM 0 H VAL A 12 -4.072 10.696 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.641 9.305 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.731 9.514 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.253 8.237 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.097 7.249 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.989 7.894 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.623 10.677 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.380 10.471 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.739 11.479 -2.797 1.00 0.00 H new ATOM 139 N ILE A 13 -4.316 7.636 0.045 1.00 0.00 N ATOM 140 CA ILE A 13 -4.367 6.372 0.759 1.00 0.00 C ATOM 141 C ILE A 13 -5.811 6.088 1.181 1.00 0.00 C ATOM 142 O ILE A 13 -6.320 4.990 0.962 1.00 0.00 O ATOM 143 CB ILE A 13 -3.376 6.374 1.924 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.945 6.588 1.426 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.507 5.098 2.759 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.164 7.497 2.378 1.00 0.00 C ATOM 0 H ILE A 13 -3.729 8.348 0.480 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.057 5.554 0.108 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.619 7.212 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.439 5.627 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.965 7.030 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.791 5.126 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.518 5.028 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.306 4.230 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.150 7.633 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.659 8.466 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.125 7.041 3.367 1.00 0.00 H new ATOM 158 N ILE A 14 -6.428 7.097 1.777 1.00 0.00 N ATOM 159 CA ILE A 14 -7.803 6.970 2.231 1.00 0.00 C ATOM 160 C ILE A 14 -8.665 6.432 1.088 1.00 0.00 C ATOM 161 O ILE A 14 -9.427 5.484 1.272 1.00 0.00 O ATOM 162 CB ILE A 14 -8.302 8.296 2.807 1.00 0.00 C ATOM 163 CG1 ILE A 14 -7.758 8.520 4.219 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.829 8.373 2.762 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.582 9.500 4.205 1.00 0.00 C ATOM 0 H ILE A 14 -6.002 8.006 1.956 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.870 6.250 3.047 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.920 9.104 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.550 8.906 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.438 7.569 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.158 9.326 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.167 8.292 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.252 7.557 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.214 9.642 5.221 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.782 9.100 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.911 10.458 3.802 1.00 0.00 H new ATOM 177 N GLN A 15 -8.518 7.062 -0.069 1.00 0.00 N ATOM 178 CA GLN A 15 -9.274 6.659 -1.242 1.00 0.00 C ATOM 179 C GLN A 15 -9.043 5.176 -1.539 1.00 0.00 C ATOM 180 O GLN A 15 -9.994 4.401 -1.627 1.00 0.00 O ATOM 181 CB GLN A 15 -8.911 7.523 -2.452 1.00 0.00 C ATOM 182 CG GLN A 15 -9.158 9.005 -2.161 1.00 0.00 C ATOM 183 CD GLN A 15 -10.187 9.590 -3.131 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.367 9.283 -3.085 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.675 10.447 -4.009 1.00 0.00 N ATOM 0 H GLN A 15 -7.886 7.849 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.334 6.808 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.864 7.369 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.502 7.214 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.510 9.124 -1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.221 9.556 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.678 10.660 -3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.280 10.892 -4.699 1.00 0.00 H new ATOM 194 N LEU A 16 -7.773 4.825 -1.685 1.00 0.00 N ATOM 195 CA LEU A 16 -7.405 3.449 -1.970 1.00 0.00 C ATOM 196 C LEU A 16 -8.075 2.525 -0.952 1.00 0.00 C ATOM 197 O LEU A 16 -8.721 1.547 -1.326 1.00 0.00 O ATOM 198 CB LEU A 16 -5.883 3.302 -2.026 1.00 0.00 C ATOM 199 CG LEU A 16 -5.163 4.172 -3.058 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.691 4.359 -2.685 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.329 3.601 -4.468 1.00 0.00 C ATOM 0 H LEU A 16 -6.986 5.470 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.767 3.154 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.479 3.533 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.646 2.258 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.624 5.160 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.202 4.981 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.621 4.842 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.200 3.387 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.808 4.238 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.910 2.596 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.388 3.562 -4.722 1.00 0.00 H new ATOM 213 N VAL A 17 -7.898 2.867 0.316 1.00 0.00 N ATOM 214 CA VAL A 17 -8.478 2.080 1.391 1.00 0.00 C ATOM 215 C VAL A 17 -10.003 2.113 1.277 1.00 0.00 C ATOM 216 O VAL A 17 -10.680 1.163 1.667 1.00 0.00 O ATOM 217 CB VAL A 17 -7.968 2.585 2.743 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.725 1.923 3.896 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.461 2.364 2.878 1.00 0.00 C ATOM 0 H VAL A 17 -7.361 3.678 0.623 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.169 1.038 1.311 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.154 3.658 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.343 2.299 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.787 2.155 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.585 0.843 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.125 2.732 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.241 1.300 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.942 2.903 2.086 1.00 0.00 H new ATOM 229 N GLU A 18 -10.500 3.218 0.740 1.00 0.00 N ATOM 230 CA GLU A 18 -11.933 3.388 0.570 1.00 0.00 C ATOM 231 C GLU A 18 -12.486 2.318 -0.374 1.00 0.00 C ATOM 232 O GLU A 18 -13.634 1.897 -0.236 1.00 0.00 O ATOM 233 CB GLU A 18 -12.262 4.792 0.059 1.00 0.00 C ATOM 234 CG GLU A 18 -13.150 5.543 1.054 1.00 0.00 C ATOM 235 CD GLU A 18 -14.390 4.722 1.410 1.00 0.00 C ATOM 236 OE1 GLU A 18 -14.911 4.053 0.492 1.00 0.00 O ATOM 237 OE2 GLU A 18 -14.790 4.782 2.593 1.00 0.00 O ATOM 0 H GLU A 18 -9.936 4.004 0.417 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.411 3.270 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.339 5.349 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.767 4.723 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.583 5.763 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.453 6.499 0.627 1.00 0.00 H new ATOM 244 N MET A 19 -11.644 1.909 -1.311 1.00 0.00 N ATOM 245 CA MET A 19 -12.034 0.896 -2.277 1.00 0.00 C ATOM 246 C MET A 19 -12.051 -0.494 -1.638 1.00 0.00 C ATOM 247 O MET A 19 -12.802 -1.369 -2.066 1.00 0.00 O ATOM 248 CB MET A 19 -11.053 0.906 -3.451 1.00 0.00 C ATOM 249 CG MET A 19 -11.477 1.925 -4.511 1.00 0.00 C ATOM 250 SD MET A 19 -10.920 1.398 -6.123 1.00 0.00 S ATOM 251 CE MET A 19 -9.184 1.792 -5.995 1.00 0.00 C ATOM 0 H MET A 19 -10.693 2.261 -1.422 1.00 0.00 H new ATOM 0 HA MET A 19 -13.040 1.125 -2.630 1.00 0.00 H new ATOM 0 HB2 MET A 19 -10.052 1.145 -3.091 1.00 0.00 H new ATOM 0 HB3 MET A 19 -11.003 -0.088 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 19 -12.562 2.033 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 19 -11.059 2.903 -4.275 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.662 1.428 -6.880 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.061 2.872 -5.920 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.768 1.317 -5.107 1.00 0.00 H new ATOM 261 N GLY A 20 -11.214 -0.654 -0.623 1.00 0.00 N ATOM 262 CA GLY A 20 -11.123 -1.923 0.080 1.00 0.00 C ATOM 263 C GLY A 20 -9.698 -2.478 0.027 1.00 0.00 C ATOM 264 O GLY A 20 -9.495 -3.644 -0.306 1.00 0.00 O ATOM 0 H GLY A 20 -10.593 0.074 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.427 -1.790 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.813 -2.640 -0.365 1.00 0.00 H new ATOM 268 N PHE A 21 -8.749 -1.616 0.362 1.00 0.00 N ATOM 269 CA PHE A 21 -7.349 -2.006 0.357 1.00 0.00 C ATOM 270 C PHE A 21 -6.699 -1.733 1.715 1.00 0.00 C ATOM 271 O PHE A 21 -7.182 -0.901 2.482 1.00 0.00 O ATOM 272 CB PHE A 21 -6.652 -1.157 -0.709 1.00 0.00 C ATOM 273 CG PHE A 21 -6.807 -1.696 -2.132 1.00 0.00 C ATOM 274 CD1 PHE A 21 -6.623 -3.020 -2.382 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.129 -0.851 -3.148 1.00 0.00 C ATOM 276 CE1 PHE A 21 -6.767 -3.520 -3.704 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.273 -1.350 -4.469 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.089 -2.675 -4.719 1.00 0.00 C ATOM 0 H PHE A 21 -8.922 -0.650 0.639 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.260 -3.072 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.051 -0.143 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.591 -1.091 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.367 -3.691 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.275 0.200 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.621 -4.571 -3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.528 -0.678 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.199 -3.055 -5.724 1.00 0.00 H new ATOM 288 N PRO A 22 -5.585 -2.467 1.977 1.00 0.00 N ATOM 289 CA PRO A 22 -4.864 -2.313 3.229 1.00 0.00 C ATOM 290 C PRO A 22 -4.053 -1.015 3.238 1.00 0.00 C ATOM 291 O PRO A 22 -3.169 -0.826 2.403 1.00 0.00 O ATOM 292 CB PRO A 22 -3.997 -3.556 3.340 1.00 0.00 C ATOM 293 CG PRO A 22 -3.914 -4.133 1.936 1.00 0.00 C ATOM 294 CD PRO A 22 -4.985 -3.461 1.092 1.00 0.00 C ATOM 0 HA PRO A 22 -5.528 -2.230 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.006 -3.308 3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.433 -4.276 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.926 -3.958 1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.066 -5.212 1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.556 -2.994 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.726 -4.181 0.746 1.00 0.00 H new ATOM 302 N MET A 23 -4.382 -0.155 4.190 1.00 0.00 N ATOM 303 CA MET A 23 -3.695 1.118 4.318 1.00 0.00 C ATOM 304 C MET A 23 -2.185 0.948 4.139 1.00 0.00 C ATOM 305 O MET A 23 -1.598 1.512 3.216 1.00 0.00 O ATOM 306 CB MET A 23 -3.981 1.716 5.697 1.00 0.00 C ATOM 307 CG MET A 23 -4.159 3.233 5.611 1.00 0.00 C ATOM 308 SD MET A 23 -5.793 3.689 6.167 1.00 0.00 S ATOM 309 CE MET A 23 -5.718 5.457 5.933 1.00 0.00 C ATOM 0 H MET A 23 -5.116 -0.315 4.880 1.00 0.00 H new ATOM 0 HA MET A 23 -4.061 1.786 3.539 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.881 1.264 6.114 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.162 1.480 6.376 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.406 3.731 6.222 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.009 3.567 4.584 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.461 5.940 6.567 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.724 5.817 6.200 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.922 5.695 4.889 1.00 0.00 H new ATOM 319 N ASP A 24 -1.599 0.167 5.035 1.00 0.00 N ATOM 320 CA ASP A 24 -0.169 -0.085 4.987 1.00 0.00 C ATOM 321 C ASP A 24 0.263 -0.269 3.531 1.00 0.00 C ATOM 322 O ASP A 24 1.178 0.406 3.061 1.00 0.00 O ATOM 323 CB ASP A 24 0.191 -1.360 5.752 1.00 0.00 C ATOM 324 CG ASP A 24 -0.958 -2.355 5.929 1.00 0.00 C ATOM 325 OD1 ASP A 24 -1.757 -2.138 6.866 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.012 -3.309 5.123 1.00 0.00 O ATOM 0 H ASP A 24 -2.089 -0.300 5.798 1.00 0.00 H new ATOM 0 HA ASP A 24 0.339 0.765 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.007 -1.860 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.565 -1.081 6.737 1.00 0.00 H new ATOM 331 N ALA A 25 -0.415 -1.187 2.857 1.00 0.00 N ATOM 332 CA ALA A 25 -0.112 -1.468 1.464 1.00 0.00 C ATOM 333 C ALA A 25 -0.299 -0.194 0.638 1.00 0.00 C ATOM 334 O ALA A 25 0.527 0.124 -0.216 1.00 0.00 O ATOM 335 CB ALA A 25 -0.995 -2.617 0.971 1.00 0.00 C ATOM 0 H ALA A 25 -1.173 -1.745 3.250 1.00 0.00 H new ATOM 0 HA ALA A 25 0.926 -1.783 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.768 -2.828 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.803 -3.507 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.044 -2.336 1.065 1.00 0.00 H new ATOM 341 N CYS A 26 -1.391 0.502 0.922 1.00 0.00 N ATOM 342 CA CYS A 26 -1.697 1.735 0.216 1.00 0.00 C ATOM 343 C CYS A 26 -0.555 2.724 0.459 1.00 0.00 C ATOM 344 O CYS A 26 -0.192 3.489 -0.432 1.00 0.00 O ATOM 345 CB CYS A 26 -3.050 2.309 0.642 1.00 0.00 C ATOM 346 SG CYS A 26 -4.407 1.333 -0.104 1.00 0.00 S ATOM 0 H CYS A 26 -2.074 0.235 1.631 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.781 1.535 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.135 2.294 1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.127 3.351 0.331 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.261 1.001 0.819 1.00 0.00 H new ATOM 352 N ARG A 27 -0.021 2.675 1.671 1.00 0.00 N ATOM 353 CA ARG A 27 1.072 3.558 2.042 1.00 0.00 C ATOM 354 C ARG A 27 2.370 3.108 1.368 1.00 0.00 C ATOM 355 O ARG A 27 3.282 3.909 1.172 1.00 0.00 O ATOM 356 CB ARG A 27 1.274 3.577 3.559 1.00 0.00 C ATOM 357 CG ARG A 27 0.427 4.672 4.210 1.00 0.00 C ATOM 358 CD ARG A 27 0.271 4.424 5.712 1.00 0.00 C ATOM 359 NE ARG A 27 1.142 5.348 6.472 1.00 0.00 N ATOM 360 CZ ARG A 27 1.232 5.368 7.808 1.00 0.00 C ATOM 361 NH1 ARG A 27 0.505 4.514 8.541 1.00 0.00 N ATOM 362 NH2 ARG A 27 2.049 6.241 8.412 1.00 0.00 N ATOM 0 H ARG A 27 -0.325 2.038 2.408 1.00 0.00 H new ATOM 0 HA ARG A 27 0.814 4.563 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.005 2.607 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.327 3.742 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.893 5.644 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.556 4.705 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.769 4.567 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.530 3.392 5.947 1.00 0.00 H new ATOM 0 HE ARG A 27 1.710 6.012 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.117 3.849 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.573 4.529 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.603 6.891 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.117 6.256 9.430 1.00 0.00 H new ATOM 376 N LYS A 28 2.411 1.827 1.031 1.00 0.00 N ATOM 377 CA LYS A 28 3.582 1.261 0.383 1.00 0.00 C ATOM 378 C LYS A 28 3.683 1.806 -1.043 1.00 0.00 C ATOM 379 O LYS A 28 4.739 2.285 -1.455 1.00 0.00 O ATOM 380 CB LYS A 28 3.549 -0.267 0.456 1.00 0.00 C ATOM 381 CG LYS A 28 4.106 -0.764 1.792 1.00 0.00 C ATOM 382 CD LYS A 28 4.542 -2.227 1.693 1.00 0.00 C ATOM 383 CE LYS A 28 3.442 -3.086 1.067 1.00 0.00 C ATOM 384 NZ LYS A 28 3.919 -4.472 0.865 1.00 0.00 N ATOM 0 H LYS A 28 1.652 1.165 1.195 1.00 0.00 H new ATOM 0 HA LYS A 28 4.490 1.562 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.525 -0.619 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.132 -0.687 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.954 -0.147 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.348 -0.658 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.450 -2.300 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.784 -2.606 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.563 -3.088 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.137 -2.657 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.160 -5.042 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.744 -4.466 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.188 -4.883 1.781 1.00 0.00 H new ATOM 398 N ALA A 29 2.572 1.715 -1.758 1.00 0.00 N ATOM 399 CA ALA A 29 2.522 2.193 -3.129 1.00 0.00 C ATOM 400 C ALA A 29 2.988 3.649 -3.174 1.00 0.00 C ATOM 401 O ALA A 29 4.074 3.942 -3.674 1.00 0.00 O ATOM 402 CB ALA A 29 1.106 2.017 -3.681 1.00 0.00 C ATOM 0 H ALA A 29 1.698 1.317 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 29 3.193 1.612 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.069 2.376 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.834 0.962 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.405 2.588 -3.072 1.00 0.00 H new ATOM 408 N VAL A 30 2.145 4.524 -2.646 1.00 0.00 N ATOM 409 CA VAL A 30 2.457 5.943 -2.620 1.00 0.00 C ATOM 410 C VAL A 30 3.937 6.129 -2.281 1.00 0.00 C ATOM 411 O VAL A 30 4.673 6.769 -3.030 1.00 0.00 O ATOM 412 CB VAL A 30 1.525 6.665 -1.644 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.890 8.147 -1.534 1.00 0.00 C ATOM 414 CG2 VAL A 30 0.061 6.489 -2.052 1.00 0.00 C ATOM 0 H VAL A 30 1.246 4.278 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 30 2.289 6.389 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 30 1.654 6.214 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.213 8.638 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.915 8.244 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.803 8.617 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.580 7.012 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.091 6.901 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.191 5.428 -2.056 1.00 0.00 H new ATOM 424 N TYR A 31 4.330 5.557 -1.152 1.00 0.00 N ATOM 425 CA TYR A 31 5.709 5.651 -0.706 1.00 0.00 C ATOM 426 C TYR A 31 6.677 5.296 -1.836 1.00 0.00 C ATOM 427 O TYR A 31 7.460 6.137 -2.276 1.00 0.00 O ATOM 428 CB TYR A 31 5.859 4.626 0.420 1.00 0.00 C ATOM 429 CG TYR A 31 7.296 4.453 0.917 1.00 0.00 C ATOM 430 CD1 TYR A 31 7.998 5.543 1.391 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.890 3.208 0.892 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.350 5.381 1.859 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.242 3.046 1.359 1.00 0.00 C ATOM 434 CZ TYR A 31 9.905 4.140 1.820 1.00 0.00 C ATOM 435 OH TYR A 31 11.182 3.987 2.262 1.00 0.00 O ATOM 0 H TYR A 31 3.717 5.027 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 31 5.938 6.666 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.230 4.927 1.257 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.487 3.662 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.533 6.518 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.341 2.355 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.910 6.225 2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.719 2.077 1.344 1.00 0.00 H new ATOM 0 HH TYR A 31 11.447 3.048 2.176 1.00 0.00 H new ATOM 445 N TYR A 32 6.593 4.048 -2.273 1.00 0.00 N ATOM 446 CA TYR A 32 7.451 3.570 -3.344 1.00 0.00 C ATOM 447 C TYR A 32 7.356 4.480 -4.570 1.00 0.00 C ATOM 448 O TYR A 32 8.369 4.978 -5.059 1.00 0.00 O ATOM 449 CB TYR A 32 6.931 2.180 -3.714 1.00 0.00 C ATOM 450 CG TYR A 32 7.314 1.086 -2.714 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.634 0.912 -2.354 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.338 0.275 -2.172 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.994 -0.117 -1.414 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.698 -0.755 -1.232 1.00 0.00 C ATOM 455 CZ TYR A 32 8.008 -0.900 -0.899 1.00 0.00 C ATOM 456 OH TYR A 32 8.348 -1.872 -0.011 1.00 0.00 O ATOM 0 H TYR A 32 5.944 3.353 -1.905 1.00 0.00 H new ATOM 0 HA TYR A 32 8.492 3.554 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.845 2.219 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.315 1.910 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.398 1.548 -2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.304 0.413 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.024 -0.264 -1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.944 -1.398 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 32 7.542 -2.351 0.274 1.00 0.00 H new ATOM 466 N THR A 33 6.129 4.669 -5.033 1.00 0.00 N ATOM 467 CA THR A 33 5.888 5.511 -6.193 1.00 0.00 C ATOM 468 C THR A 33 6.416 6.925 -5.945 1.00 0.00 C ATOM 469 O THR A 33 6.740 7.645 -6.888 1.00 0.00 O ATOM 470 CB THR A 33 4.391 5.467 -6.506 1.00 0.00 C ATOM 471 OG1 THR A 33 3.766 5.705 -5.248 1.00 0.00 O ATOM 472 CG2 THR A 33 3.916 4.066 -6.899 1.00 0.00 C ATOM 0 H THR A 33 5.291 4.254 -4.626 1.00 0.00 H new ATOM 0 HA THR A 33 6.428 5.145 -7.066 1.00 0.00 H new ATOM 0 HB THR A 33 4.168 6.166 -7.313 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.296 6.351 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.847 4.090 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.454 3.735 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.108 3.374 -6.079 1.00 0.00 H new ATOM 480 N GLY A 34 6.484 7.282 -4.671 1.00 0.00 N ATOM 481 CA GLY A 34 6.967 8.597 -4.287 1.00 0.00 C ATOM 482 C GLY A 34 5.878 9.656 -4.473 1.00 0.00 C ATOM 483 O GLY A 34 6.137 10.728 -5.020 1.00 0.00 O ATOM 0 H GLY A 34 6.212 6.683 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.289 8.580 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.839 8.858 -4.887 1.00 0.00 H new ATOM 487 N ASN A 35 4.684 9.320 -4.008 1.00 0.00 N ATOM 488 CA ASN A 35 3.556 10.228 -4.116 1.00 0.00 C ATOM 489 C ASN A 35 3.518 10.822 -5.526 1.00 0.00 C ATOM 490 O ASN A 35 4.141 11.850 -5.787 1.00 0.00 O ATOM 491 CB ASN A 35 3.680 11.383 -3.120 1.00 0.00 C ATOM 492 CG ASN A 35 2.323 12.047 -2.878 1.00 0.00 C ATOM 493 OD1 ASN A 35 1.385 11.897 -3.642 1.00 0.00 O ATOM 494 ND2 ASN A 35 2.273 12.786 -1.773 1.00 0.00 N ATOM 0 H ASN A 35 4.473 8.431 -3.555 1.00 0.00 H new ATOM 0 HA ASN A 35 2.648 9.664 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.081 11.013 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.387 12.121 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.411 13.270 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.097 12.869 -1.177 1.00 0.00 H new ATOM 501 N SER A 36 2.781 10.149 -6.398 1.00 0.00 N ATOM 502 CA SER A 36 2.654 10.597 -7.774 1.00 0.00 C ATOM 503 C SER A 36 1.198 10.957 -8.075 1.00 0.00 C ATOM 504 O SER A 36 0.929 11.906 -8.809 1.00 0.00 O ATOM 505 CB SER A 36 3.149 9.527 -8.749 1.00 0.00 C ATOM 506 OG SER A 36 3.854 10.094 -9.850 1.00 0.00 O ATOM 0 H SER A 36 2.266 9.297 -6.178 1.00 0.00 H new ATOM 0 HA SER A 36 3.275 11.484 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.800 8.829 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.300 8.953 -9.119 1.00 0.00 H new ATOM 0 HG SER A 36 4.155 9.379 -10.449 1.00 0.00 H new ATOM 512 N GLY A 37 0.297 10.181 -7.491 1.00 0.00 N ATOM 513 CA GLY A 37 -1.125 10.406 -7.687 1.00 0.00 C ATOM 514 C GLY A 37 -1.921 9.121 -7.454 1.00 0.00 C ATOM 515 O GLY A 37 -1.411 8.022 -7.669 1.00 0.00 O ATOM 0 H GLY A 37 0.524 9.395 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.472 11.181 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.303 10.770 -8.699 1.00 0.00 H new ATOM 519 N ALA A 38 -3.159 9.301 -7.016 1.00 0.00 N ATOM 520 CA ALA A 38 -4.031 8.169 -6.751 1.00 0.00 C ATOM 521 C ALA A 38 -3.865 7.132 -7.863 1.00 0.00 C ATOM 522 O ALA A 38 -3.437 6.007 -7.609 1.00 0.00 O ATOM 523 CB ALA A 38 -5.475 8.657 -6.618 1.00 0.00 C ATOM 0 H ALA A 38 -3.579 10.214 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.762 7.689 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.129 7.808 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.544 9.369 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.782 9.142 -7.545 1.00 0.00 H new ATOM 529 N GLU A 39 -4.214 7.547 -9.072 1.00 0.00 N ATOM 530 CA GLU A 39 -4.110 6.667 -10.224 1.00 0.00 C ATOM 531 C GLU A 39 -2.713 6.046 -10.293 1.00 0.00 C ATOM 532 O GLU A 39 -2.561 4.834 -10.147 1.00 0.00 O ATOM 533 CB GLU A 39 -4.441 7.416 -11.517 1.00 0.00 C ATOM 534 CG GLU A 39 -5.562 6.713 -12.285 1.00 0.00 C ATOM 535 CD GLU A 39 -6.852 7.536 -12.247 1.00 0.00 C ATOM 536 OE1 GLU A 39 -7.375 7.719 -11.127 1.00 0.00 O ATOM 537 OE2 GLU A 39 -7.285 7.962 -13.340 1.00 0.00 O ATOM 0 H GLU A 39 -4.569 8.481 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.838 5.864 -10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.740 8.438 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.551 7.480 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.256 6.557 -13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.742 5.728 -11.853 1.00 0.00 H new ATOM 544 N ALA A 40 -1.729 6.904 -10.515 1.00 0.00 N ATOM 545 CA ALA A 40 -0.350 6.454 -10.605 1.00 0.00 C ATOM 546 C ALA A 40 -0.075 5.441 -9.492 1.00 0.00 C ATOM 547 O ALA A 40 0.260 4.289 -9.765 1.00 0.00 O ATOM 548 CB ALA A 40 0.587 7.662 -10.538 1.00 0.00 C ATOM 0 H ALA A 40 -1.859 7.909 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.171 5.955 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.621 7.324 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.371 8.337 -11.366 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.437 8.187 -9.594 1.00 0.00 H new ATOM 554 N ALA A 41 -0.226 5.907 -8.261 1.00 0.00 N ATOM 555 CA ALA A 41 0.002 5.056 -7.105 1.00 0.00 C ATOM 556 C ALA A 41 -0.772 3.748 -7.280 1.00 0.00 C ATOM 557 O ALA A 41 -0.198 2.665 -7.178 1.00 0.00 O ATOM 558 CB ALA A 41 -0.398 5.805 -5.833 1.00 0.00 C ATOM 0 H ALA A 41 -0.503 6.863 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 41 1.059 4.804 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.227 5.167 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.201 6.711 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.454 6.072 -5.885 1.00 0.00 H new ATOM 564 N MET A 42 -2.063 3.892 -7.541 1.00 0.00 N ATOM 565 CA MET A 42 -2.921 2.735 -7.731 1.00 0.00 C ATOM 566 C MET A 42 -2.212 1.654 -8.550 1.00 0.00 C ATOM 567 O MET A 42 -2.103 0.510 -8.112 1.00 0.00 O ATOM 568 CB MET A 42 -4.202 3.162 -8.451 1.00 0.00 C ATOM 569 CG MET A 42 -5.435 2.876 -7.591 1.00 0.00 C ATOM 570 SD MET A 42 -6.785 2.329 -8.623 1.00 0.00 S ATOM 571 CE MET A 42 -7.847 3.761 -8.529 1.00 0.00 C ATOM 0 H MET A 42 -2.535 4.792 -7.625 1.00 0.00 H new ATOM 0 HA MET A 42 -3.164 2.322 -6.752 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.155 4.226 -8.684 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.285 2.631 -9.400 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.202 2.113 -6.848 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.724 3.774 -7.045 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.821 3.520 -8.954 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.969 4.056 -7.487 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.400 4.583 -9.089 1.00 0.00 H new ATOM 581 N ASN A 43 -1.747 2.056 -9.724 1.00 0.00 N ATOM 582 CA ASN A 43 -1.051 1.136 -10.608 1.00 0.00 C ATOM 583 C ASN A 43 -0.140 0.229 -9.778 1.00 0.00 C ATOM 584 O ASN A 43 -0.294 -0.991 -9.792 1.00 0.00 O ATOM 585 CB ASN A 43 -0.179 1.891 -11.612 1.00 0.00 C ATOM 586 CG ASN A 43 -0.370 1.342 -13.027 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.032 0.210 -13.332 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.931 2.203 -13.871 1.00 0.00 N ATOM 0 H ASN A 43 -1.839 3.006 -10.084 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.799 0.554 -11.146 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.431 2.951 -11.593 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.869 1.807 -11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.102 1.930 -14.839 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.190 3.136 -13.550 1.00 0.00 H new ATOM 595 N TRP A 44 0.788 0.861 -9.075 1.00 0.00 N ATOM 596 CA TRP A 44 1.724 0.126 -8.241 1.00 0.00 C ATOM 597 C TRP A 44 0.935 -0.924 -7.457 1.00 0.00 C ATOM 598 O TRP A 44 1.326 -2.089 -7.405 1.00 0.00 O ATOM 599 CB TRP A 44 2.516 1.075 -7.339 1.00 0.00 C ATOM 600 CG TRP A 44 3.507 0.369 -6.411 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.834 0.249 -6.559 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.195 -0.314 -5.179 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.397 -0.458 -5.517 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.369 -0.811 -4.650 1.00 0.00 C ATOM 605 CE3 TRP A 44 1.962 -0.504 -4.531 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.425 -1.531 -3.451 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.035 -1.226 -3.334 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.209 -1.734 -2.789 1.00 0.00 C ATOM 0 H TRP A 44 0.912 1.873 -9.066 1.00 0.00 H new ATOM 0 HA TRP A 44 2.468 -0.383 -8.853 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.060 1.784 -7.963 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.817 1.654 -6.735 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.392 0.655 -7.390 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.386 -0.681 -5.403 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.032 -0.123 -4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.357 -1.910 -3.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.115 -1.401 -2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.182 -2.283 -1.859 1.00 0.00 H new ATOM 619 N VAL A 45 -0.163 -0.475 -6.866 1.00 0.00 N ATOM 620 CA VAL A 45 -1.010 -1.361 -6.088 1.00 0.00 C ATOM 621 C VAL A 45 -1.605 -2.430 -7.007 1.00 0.00 C ATOM 622 O VAL A 45 -1.527 -3.621 -6.712 1.00 0.00 O ATOM 623 CB VAL A 45 -2.076 -0.550 -5.347 1.00 0.00 C ATOM 624 CG1 VAL A 45 -2.964 -1.459 -4.495 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.435 0.546 -4.494 1.00 0.00 C ATOM 0 H VAL A 45 -0.485 0.492 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.424 -1.876 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.709 -0.068 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.712 -0.857 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.462 -2.186 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.351 -1.982 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.214 1.108 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.768 0.093 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.866 1.220 -5.135 1.00 0.00 H new ATOM 635 N MET A 46 -2.185 -1.965 -8.104 1.00 0.00 N ATOM 636 CA MET A 46 -2.792 -2.865 -9.069 1.00 0.00 C ATOM 637 C MET A 46 -1.872 -4.051 -9.367 1.00 0.00 C ATOM 638 O MET A 46 -2.341 -5.131 -9.724 1.00 0.00 O ATOM 639 CB MET A 46 -3.082 -2.106 -10.365 1.00 0.00 C ATOM 640 CG MET A 46 -4.104 -0.991 -10.130 1.00 0.00 C ATOM 641 SD MET A 46 -5.647 -1.686 -9.562 1.00 0.00 S ATOM 642 CE MET A 46 -5.944 -0.657 -8.135 1.00 0.00 C ATOM 0 H MET A 46 -2.247 -0.976 -8.346 1.00 0.00 H new ATOM 0 HA MET A 46 -3.721 -3.247 -8.646 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.158 -1.681 -10.756 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.459 -2.797 -11.119 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.721 -0.285 -9.393 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.265 -0.433 -11.053 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.887 -1.263 -7.231 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.192 0.131 -8.091 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.935 -0.209 -8.210 1.00 0.00 H new ATOM 652 N SER A 47 -0.579 -3.809 -9.209 1.00 0.00 N ATOM 653 CA SER A 47 0.411 -4.844 -9.457 1.00 0.00 C ATOM 654 C SER A 47 0.716 -5.597 -8.161 1.00 0.00 C ATOM 655 O SER A 47 0.465 -6.797 -8.062 1.00 0.00 O ATOM 656 CB SER A 47 1.695 -4.249 -10.040 1.00 0.00 C ATOM 657 OG SER A 47 2.329 -5.141 -10.953 1.00 0.00 O ATOM 0 H SER A 47 -0.194 -2.912 -8.913 1.00 0.00 H new ATOM 0 HA SER A 47 0.001 -5.542 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.463 -3.314 -10.549 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.384 -4.009 -9.230 1.00 0.00 H new ATOM 0 HG SER A 47 3.144 -4.725 -11.305 1.00 0.00 H new ATOM 663 N HIS A 48 1.254 -4.861 -7.199 1.00 0.00 N ATOM 664 CA HIS A 48 1.596 -5.445 -5.913 1.00 0.00 C ATOM 665 C HIS A 48 0.422 -6.282 -5.400 1.00 0.00 C ATOM 666 O HIS A 48 0.622 -7.332 -4.793 1.00 0.00 O ATOM 667 CB HIS A 48 2.029 -4.362 -4.923 1.00 0.00 C ATOM 668 CG HIS A 48 3.462 -3.916 -5.088 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.449 -4.206 -4.162 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.064 -3.200 -6.081 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.589 -3.683 -4.588 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.348 -3.059 -5.777 1.00 0.00 N ATOM 0 H HIS A 48 1.461 -3.866 -7.284 1.00 0.00 H new ATOM 0 HA HIS A 48 2.450 -6.113 -6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.375 -3.498 -5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.890 -4.735 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.578 -2.813 -6.965 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.542 -3.740 -4.083 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.041 -2.565 -6.340 1.00 0.00 H new ATOM 680 N MET A 49 -0.777 -5.785 -5.664 1.00 0.00 N ATOM 681 CA MET A 49 -1.983 -6.473 -5.237 1.00 0.00 C ATOM 682 C MET A 49 -2.009 -7.910 -5.761 1.00 0.00 C ATOM 683 O MET A 49 -2.763 -8.744 -5.262 1.00 0.00 O ATOM 684 CB MET A 49 -3.211 -5.720 -5.753 1.00 0.00 C ATOM 685 CG MET A 49 -3.411 -5.957 -7.252 1.00 0.00 C ATOM 686 SD MET A 49 -4.963 -6.790 -7.537 1.00 0.00 S ATOM 687 CE MET A 49 -4.367 -8.409 -7.994 1.00 0.00 C ATOM 0 H MET A 49 -0.939 -4.914 -6.169 1.00 0.00 H new ATOM 0 HA MET A 49 -1.995 -6.503 -4.147 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.097 -6.046 -5.208 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.094 -4.653 -5.562 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.396 -5.006 -7.784 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.590 -6.555 -7.647 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.062 -8.867 -8.698 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.386 -8.317 -8.460 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.289 -9.033 -7.104 1.00 0.00 H new ATOM 697 N ASP A 50 -1.175 -8.157 -6.761 1.00 0.00 N ATOM 698 CA ASP A 50 -1.092 -9.479 -7.358 1.00 0.00 C ATOM 699 C ASP A 50 0.009 -10.280 -6.661 1.00 0.00 C ATOM 700 O ASP A 50 0.749 -11.019 -7.309 1.00 0.00 O ATOM 701 CB ASP A 50 -0.744 -9.391 -8.845 1.00 0.00 C ATOM 702 CG ASP A 50 -1.475 -10.393 -9.741 1.00 0.00 C ATOM 703 OD1 ASP A 50 -0.948 -11.518 -9.882 1.00 0.00 O ATOM 704 OD2 ASP A 50 -2.544 -10.011 -10.264 1.00 0.00 O ATOM 0 H ASP A 50 -0.551 -7.463 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.062 -9.963 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.967 -8.383 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.330 -9.539 -8.961 1.00 0.00 H new ATOM 709 N ASP A 51 0.083 -10.107 -5.349 1.00 0.00 N ATOM 710 CA ASP A 51 1.082 -10.805 -4.558 1.00 0.00 C ATOM 711 C ASP A 51 0.606 -10.892 -3.106 1.00 0.00 C ATOM 712 O ASP A 51 -0.154 -10.041 -2.646 1.00 0.00 O ATOM 713 CB ASP A 51 2.417 -10.059 -4.573 1.00 0.00 C ATOM 714 CG ASP A 51 3.637 -10.923 -4.901 1.00 0.00 C ATOM 715 OD1 ASP A 51 3.584 -11.606 -5.946 1.00 0.00 O ATOM 716 OD2 ASP A 51 4.594 -10.881 -4.098 1.00 0.00 O ATOM 0 H ASP A 51 -0.532 -9.494 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 51 1.219 -11.797 -4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.356 -9.251 -5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.569 -9.597 -3.597 1.00 0.00 H new ATOM 721 N PRO A 52 1.085 -11.955 -2.407 1.00 0.00 N ATOM 722 CA PRO A 52 0.717 -12.164 -1.017 1.00 0.00 C ATOM 723 C PRO A 52 1.455 -11.185 -0.101 1.00 0.00 C ATOM 724 O PRO A 52 1.077 -11.007 1.056 1.00 0.00 O ATOM 725 CB PRO A 52 1.061 -13.617 -0.733 1.00 0.00 C ATOM 726 CG PRO A 52 2.033 -14.037 -1.824 1.00 0.00 C ATOM 727 CD PRO A 52 1.987 -12.983 -2.918 1.00 0.00 C ATOM 0 HA PRO A 52 -0.340 -11.975 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.511 -13.726 0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.167 -14.240 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.042 -14.127 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.760 -15.014 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.978 -12.576 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.620 -13.401 -3.855 1.00 0.00 H new ATOM 735 N ASP A 53 2.494 -10.577 -0.653 1.00 0.00 N ATOM 736 CA ASP A 53 3.288 -9.620 0.100 1.00 0.00 C ATOM 737 C ASP A 53 2.741 -8.211 -0.137 1.00 0.00 C ATOM 738 O ASP A 53 3.482 -7.233 -0.063 1.00 0.00 O ATOM 739 CB ASP A 53 4.749 -9.642 -0.352 1.00 0.00 C ATOM 740 CG ASP A 53 5.055 -8.806 -1.596 1.00 0.00 C ATOM 741 OD1 ASP A 53 4.108 -8.597 -2.385 1.00 0.00 O ATOM 742 OD2 ASP A 53 6.227 -8.394 -1.730 1.00 0.00 O ATOM 0 H ASP A 53 2.805 -10.728 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 53 3.232 -9.890 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.373 -9.286 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.037 -10.675 -0.547 1.00 0.00 H new ATOM 747 N PHE A 54 1.447 -8.153 -0.418 1.00 0.00 N ATOM 748 CA PHE A 54 0.792 -6.880 -0.666 1.00 0.00 C ATOM 749 C PHE A 54 0.161 -6.329 0.614 1.00 0.00 C ATOM 750 O PHE A 54 -0.076 -5.127 0.727 1.00 0.00 O ATOM 751 CB PHE A 54 -0.311 -7.137 -1.695 1.00 0.00 C ATOM 752 CG PHE A 54 -1.243 -5.945 -1.919 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.748 -4.777 -2.411 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.567 -6.052 -1.627 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.613 -3.671 -2.619 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.432 -4.945 -1.836 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.937 -3.778 -2.327 1.00 0.00 C ATOM 0 H PHE A 54 0.835 -8.967 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 54 1.519 -6.151 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.149 -7.409 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.904 -7.993 -1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.303 -4.691 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.961 -6.979 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.220 -2.744 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.483 -5.030 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.595 -2.936 -2.485 1.00 0.00 H new ATOM 767 N ALA A 55 -0.095 -7.234 1.547 1.00 0.00 N ATOM 768 CA ALA A 55 -0.694 -6.854 2.815 1.00 0.00 C ATOM 769 C ALA A 55 0.379 -6.865 3.905 1.00 0.00 C ATOM 770 O ALA A 55 0.064 -6.961 5.090 1.00 0.00 O ATOM 771 CB ALA A 55 -1.857 -7.796 3.132 1.00 0.00 C ATOM 0 H ALA A 55 0.102 -8.230 1.450 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.098 -5.843 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.307 -7.511 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.605 -7.729 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.489 -8.820 3.197 1.00 0.00 H new ATOM 777 N ASN A 56 1.625 -6.766 3.465 1.00 0.00 N ATOM 778 CA ASN A 56 2.747 -6.764 4.389 1.00 0.00 C ATOM 779 C ASN A 56 3.070 -5.322 4.787 1.00 0.00 C ATOM 780 O ASN A 56 2.732 -4.384 4.067 1.00 0.00 O ATOM 781 CB ASN A 56 3.995 -7.366 3.741 1.00 0.00 C ATOM 782 CG ASN A 56 3.699 -8.753 3.166 1.00 0.00 C ATOM 783 OD1 ASN A 56 2.566 -9.204 3.116 1.00 0.00 O ATOM 784 ND2 ASN A 56 4.777 -9.401 2.735 1.00 0.00 N ATOM 0 H ASN A 56 1.882 -6.687 2.481 1.00 0.00 H new ATOM 0 HA ASN A 56 2.470 -7.360 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.351 -6.708 2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.794 -7.437 4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.684 -10.334 2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.696 -8.965 2.807 1.00 0.00 H new ATOM 791 N PRO A 57 3.738 -5.188 5.964 1.00 0.00 N ATOM 792 CA PRO A 57 4.111 -3.876 6.467 1.00 0.00 C ATOM 793 C PRO A 57 5.299 -3.308 5.688 1.00 0.00 C ATOM 794 O PRO A 57 6.003 -4.043 4.998 1.00 0.00 O ATOM 795 CB PRO A 57 4.416 -4.093 7.941 1.00 0.00 C ATOM 796 CG PRO A 57 4.654 -5.585 8.103 1.00 0.00 C ATOM 797 CD PRO A 57 4.155 -6.276 6.844 1.00 0.00 C ATOM 0 HA PRO A 57 3.320 -3.136 6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.293 -3.522 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.586 -3.760 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.714 -5.788 8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.128 -5.963 8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.940 -6.878 6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.325 -6.948 7.063 1.00 0.00 H new ATOM 805 N LEU A 58 5.485 -2.003 5.825 1.00 0.00 N ATOM 806 CA LEU A 58 6.575 -1.327 5.143 1.00 0.00 C ATOM 807 C LEU A 58 7.839 -1.412 6.001 1.00 0.00 C ATOM 808 O LEU A 58 7.791 -1.178 7.207 1.00 0.00 O ATOM 809 CB LEU A 58 6.174 0.104 4.778 1.00 0.00 C ATOM 810 CG LEU A 58 7.294 0.999 4.244 1.00 0.00 C ATOM 811 CD1 LEU A 58 7.830 0.471 2.912 1.00 0.00 C ATOM 812 CD2 LEU A 58 6.831 2.453 4.139 1.00 0.00 C ATOM 0 H LEU A 58 4.899 -1.396 6.398 1.00 0.00 H new ATOM 0 HA LEU A 58 6.797 -1.822 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.384 0.059 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.748 0.578 5.662 1.00 0.00 H new ATOM 0 HG LEU A 58 8.119 0.974 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.625 1.126 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.224 -0.536 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.023 0.446 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.646 3.068 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.980 2.516 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.536 2.813 5.125 1.00 0.00 H new ATOM 824 N ILE A 59 8.940 -1.747 5.344 1.00 0.00 N ATOM 825 CA ILE A 59 10.214 -1.865 6.032 1.00 0.00 C ATOM 826 C ILE A 59 10.533 -0.545 6.738 1.00 0.00 C ATOM 827 O ILE A 59 10.616 0.501 6.097 1.00 0.00 O ATOM 828 CB ILE A 59 11.306 -2.323 5.063 1.00 0.00 C ATOM 829 CG1 ILE A 59 10.939 -3.661 4.416 1.00 0.00 C ATOM 830 CG2 ILE A 59 12.669 -2.376 5.756 1.00 0.00 C ATOM 831 CD1 ILE A 59 10.653 -3.488 2.923 1.00 0.00 C ATOM 0 H ILE A 59 8.976 -1.940 4.343 1.00 0.00 H new ATOM 0 HA ILE A 59 10.160 -2.634 6.803 1.00 0.00 H new ATOM 0 HB ILE A 59 11.381 -1.588 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.754 -4.371 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.063 -4.081 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.426 -2.704 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.927 -1.385 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.626 -3.077 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.395 -4.453 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.822 -2.796 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.539 -3.091 2.426 1.00 0.00 H new ATOM 843 N LEU A 60 10.703 -0.638 8.048 1.00 0.00 N ATOM 844 CA LEU A 60 11.011 0.536 8.848 1.00 0.00 C ATOM 845 C LEU A 60 12.484 0.904 8.659 1.00 0.00 C ATOM 846 O LEU A 60 13.304 0.050 8.328 1.00 0.00 O ATOM 847 CB LEU A 60 10.617 0.307 10.309 1.00 0.00 C ATOM 848 CG LEU A 60 9.122 0.124 10.579 1.00 0.00 C ATOM 849 CD1 LEU A 60 8.891 -0.831 11.752 1.00 0.00 C ATOM 850 CD2 LEU A 60 8.434 1.473 10.794 1.00 0.00 C ATOM 0 H LEU A 60 10.633 -1.508 8.576 1.00 0.00 H new ATOM 0 HA LEU A 60 10.423 1.390 8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.143 -0.576 10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.971 1.153 10.897 1.00 0.00 H new ATOM 0 HG LEU A 60 8.669 -0.331 9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.821 -0.944 11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.326 -1.803 11.521 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.361 -0.427 12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.373 1.314 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.884 1.979 11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.555 2.089 9.903 1.00 0.00 H new ATOM 862 N PRO A 61 12.782 2.212 8.882 1.00 0.00 N ATOM 863 CA PRO A 61 14.141 2.705 8.740 1.00 0.00 C ATOM 864 C PRO A 61 15.009 2.269 9.922 1.00 0.00 C ATOM 865 O PRO A 61 14.503 1.717 10.898 1.00 0.00 O ATOM 866 CB PRO A 61 14.003 4.215 8.629 1.00 0.00 C ATOM 867 CG PRO A 61 12.625 4.548 9.177 1.00 0.00 C ATOM 868 CD PRO A 61 11.836 3.253 9.275 1.00 0.00 C ATOM 0 HA PRO A 61 14.646 2.299 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.783 4.721 9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.101 4.541 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.708 5.020 10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.116 5.257 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.466 3.090 10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.967 3.268 8.617 1.00 0.00 H new ATOM 876 N GLY A 62 16.301 2.534 9.796 1.00 0.00 N ATOM 877 CA GLY A 62 17.244 2.176 10.842 1.00 0.00 C ATOM 878 C GLY A 62 16.938 2.930 12.138 1.00 0.00 C ATOM 879 O GLY A 62 16.880 4.159 12.147 1.00 0.00 O ATOM 0 H GLY A 62 16.717 2.992 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.201 1.102 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.259 2.404 10.515 1.00 0.00 H new ATOM 883 N SER A 63 16.749 2.162 13.201 1.00 0.00 N ATOM 884 CA SER A 63 16.450 2.742 14.500 1.00 0.00 C ATOM 885 C SER A 63 16.425 1.648 15.568 1.00 0.00 C ATOM 886 O SER A 63 17.185 1.700 16.534 1.00 0.00 O ATOM 887 CB SER A 63 15.116 3.491 14.474 1.00 0.00 C ATOM 888 OG SER A 63 14.047 2.661 14.029 1.00 0.00 O ATOM 0 H SER A 63 16.797 1.143 13.190 1.00 0.00 H new ATOM 0 HA SER A 63 17.234 3.459 14.744 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.892 3.867 15.472 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.199 4.358 13.818 1.00 0.00 H new ATOM 0 HG SER A 63 14.204 2.396 13.099 1.00 0.00 H new ATOM 894 N SER A 64 15.543 0.681 15.359 1.00 0.00 N ATOM 895 CA SER A 64 15.408 -0.424 16.293 1.00 0.00 C ATOM 896 C SER A 64 14.890 0.088 17.638 1.00 0.00 C ATOM 897 O SER A 64 14.853 1.294 17.875 1.00 0.00 O ATOM 898 CB SER A 64 16.741 -1.152 16.480 1.00 0.00 C ATOM 899 OG SER A 64 16.560 -2.480 16.964 1.00 0.00 O ATOM 0 H SER A 64 14.915 0.640 14.556 1.00 0.00 H new ATOM 0 HA SER A 64 14.691 -1.134 15.882 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.274 -1.182 15.530 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.364 -0.593 17.178 1.00 0.00 H new ATOM 0 HG SER A 64 17.433 -2.912 17.069 1.00 0.00 H new ATOM 905 N GLY A 65 14.501 -0.855 18.484 1.00 0.00 N ATOM 906 CA GLY A 65 13.986 -0.515 19.800 1.00 0.00 C ATOM 907 C GLY A 65 12.481 -0.777 19.884 1.00 0.00 C ATOM 908 O GLY A 65 11.678 0.143 19.743 1.00 0.00 O ATOM 0 H GLY A 65 14.532 -1.855 18.284 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.504 -1.101 20.560 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.189 0.534 20.014 1.00 0.00 H new ATOM 912 N PRO A 66 12.136 -2.072 20.119 1.00 0.00 N ATOM 913 CA PRO A 66 10.741 -2.467 20.223 1.00 0.00 C ATOM 914 C PRO A 66 10.146 -2.029 21.563 1.00 0.00 C ATOM 915 O PRO A 66 9.998 -2.840 22.476 1.00 0.00 O ATOM 916 CB PRO A 66 10.745 -3.976 20.040 1.00 0.00 C ATOM 917 CG PRO A 66 12.174 -4.424 20.304 1.00 0.00 C ATOM 918 CD PRO A 66 13.060 -3.189 20.290 1.00 0.00 C ATOM 0 HA PRO A 66 10.111 -1.990 19.472 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.051 -4.455 20.731 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.430 -4.248 19.033 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.243 -4.932 21.266 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.498 -5.135 19.544 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.625 -3.097 21.217 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.785 -3.231 19.477 1.00 0.00 H new ATOM 926 N GLY A 67 9.821 -0.746 21.639 1.00 0.00 N ATOM 927 CA GLY A 67 9.246 -0.190 22.852 1.00 0.00 C ATOM 928 C GLY A 67 7.766 0.142 22.654 1.00 0.00 C ATOM 929 O GLY A 67 7.406 0.861 21.722 1.00 0.00 O ATOM 0 H GLY A 67 9.945 -0.076 20.880 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.357 -0.901 23.670 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.790 0.711 23.137 1.00 0.00 H new ATOM 933 N SER A 68 6.947 -0.397 23.545 1.00 0.00 N ATOM 934 CA SER A 68 5.514 -0.166 23.480 1.00 0.00 C ATOM 935 C SER A 68 4.819 -0.859 24.654 1.00 0.00 C ATOM 936 O SER A 68 5.401 -1.729 25.299 1.00 0.00 O ATOM 937 CB SER A 68 4.936 -0.663 22.153 1.00 0.00 C ATOM 938 OG SER A 68 3.954 0.229 21.632 1.00 0.00 O ATOM 0 H SER A 68 7.248 -0.993 24.316 1.00 0.00 H new ATOM 0 HA SER A 68 5.337 0.908 23.543 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.741 -0.780 21.428 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.492 -1.648 22.297 1.00 0.00 H new ATOM 0 HG SER A 68 3.610 -0.122 20.784 1.00 0.00 H new ATOM 944 N SER A 69 3.583 -0.446 24.896 1.00 0.00 N ATOM 945 CA SER A 69 2.802 -1.016 25.981 1.00 0.00 C ATOM 946 C SER A 69 1.727 -1.948 25.418 1.00 0.00 C ATOM 947 O SER A 69 0.934 -1.546 24.569 1.00 0.00 O ATOM 948 CB SER A 69 2.161 0.081 26.833 1.00 0.00 C ATOM 949 OG SER A 69 3.031 0.530 27.868 1.00 0.00 O ATOM 0 H SER A 69 3.103 0.277 24.359 1.00 0.00 H new ATOM 0 HA SER A 69 3.472 -1.590 26.621 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.891 0.923 26.196 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.238 -0.295 27.273 1.00 0.00 H new ATOM 0 HG SER A 69 2.586 1.231 28.388 1.00 0.00 H new ATOM 955 N GLY A 70 1.736 -3.176 25.915 1.00 0.00 N ATOM 956 CA GLY A 70 0.771 -4.169 25.473 1.00 0.00 C ATOM 957 C GLY A 70 1.475 -5.386 24.870 1.00 0.00 C ATOM 958 O GLY A 70 1.849 -5.375 23.698 1.00 0.00 O ATOM 0 H GLY A 70 2.396 -3.506 26.619 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.154 -4.482 26.315 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.102 -3.728 24.734 1.00 0.00 H new ATOM 962 N PRO A 71 1.637 -6.436 25.720 1.00 0.00 N ATOM 963 CA PRO A 71 2.289 -7.658 25.283 1.00 0.00 C ATOM 964 C PRO A 71 1.364 -8.483 24.387 1.00 0.00 C ATOM 965 O PRO A 71 0.238 -8.797 24.773 1.00 0.00 O ATOM 966 CB PRO A 71 2.673 -8.379 26.565 1.00 0.00 C ATOM 967 CG PRO A 71 1.815 -7.767 27.660 1.00 0.00 C ATOM 968 CD PRO A 71 1.207 -6.485 27.114 1.00 0.00 C ATOM 0 HA PRO A 71 3.170 -7.469 24.669 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.492 -9.450 26.480 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.733 -8.251 26.782 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.032 -8.461 27.964 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.417 -7.558 28.544 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.120 -6.497 27.193 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.557 -5.614 27.667 1.00 0.00 H new ATOM 976 N SER A 72 1.872 -8.812 23.208 1.00 0.00 N ATOM 977 CA SER A 72 1.104 -9.594 22.254 1.00 0.00 C ATOM 978 C SER A 72 1.762 -10.960 22.049 1.00 0.00 C ATOM 979 O SER A 72 2.891 -11.181 22.483 1.00 0.00 O ATOM 980 CB SER A 72 0.975 -8.861 20.918 1.00 0.00 C ATOM 981 OG SER A 72 -0.287 -8.212 20.785 1.00 0.00 O ATOM 0 H SER A 72 2.806 -8.551 22.892 1.00 0.00 H new ATOM 0 HA SER A 72 0.101 -9.737 22.657 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.773 -8.124 20.830 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.106 -9.571 20.101 1.00 0.00 H new ATOM 0 HG SER A 72 -0.330 -7.754 19.920 1.00 0.00 H new ATOM 987 N SER A 73 1.027 -11.841 21.386 1.00 0.00 N ATOM 988 CA SER A 73 1.525 -13.180 21.118 1.00 0.00 C ATOM 989 C SER A 73 1.077 -13.636 19.728 1.00 0.00 C ATOM 990 O SER A 73 -0.002 -13.266 19.267 1.00 0.00 O ATOM 991 CB SER A 73 1.046 -14.170 22.181 1.00 0.00 C ATOM 992 OG SER A 73 -0.365 -14.366 22.131 1.00 0.00 O ATOM 0 H SER A 73 0.091 -11.654 21.027 1.00 0.00 H new ATOM 0 HA SER A 73 2.614 -13.152 21.151 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.550 -15.126 22.039 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.327 -13.805 23.169 1.00 0.00 H new ATOM 0 HG SER A 73 -0.631 -15.006 22.824 1.00 0.00 H new ATOM 998 N GLY A 74 1.928 -14.432 19.098 1.00 0.00 N ATOM 999 CA GLY A 74 1.633 -14.943 17.770 1.00 0.00 C ATOM 1000 C GLY A 74 0.939 -16.304 17.847 1.00 0.00 C ATOM 1001 O GLY A 74 1.148 -17.161 16.989 1.00 0.00 O ATOM 0 H GLY A 74 2.822 -14.736 19.483 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.997 -14.236 17.238 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.556 -15.034 17.198 1.00 0.00 H new TER 1005 GLY A 74