USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=20 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 42 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 MET CE :methyl -129:sc= -1.67 (180deg=-5.14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.602 USER MOD Single : A 3 SER OG : rot 44:sc= 0.113 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 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl 166:sc= -0.0106 (180deg=-0.327) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -172:sc= -1.71 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -11:sc= 0.4 USER MOD Single : A 35 ASN : amide:sc= -4.43! C(o=-4.4!,f=-5.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0623 X(o=-0.062,f=-0.56) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.95! C(o=-3!,f=-5.5!) USER MOD Single : A 63 SER OG : rot 52:sc= 0.733 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 -7.836 24.271 9.836 1.00 0.00 N ATOM 2 CA GLY A 1 -7.661 25.713 9.805 1.00 0.00 C ATOM 3 C GLY A 1 -6.474 26.102 8.921 1.00 0.00 C ATOM 4 O GLY A 1 -6.644 26.791 7.916 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.647 24.033 10.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.010 23.922 8.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.977 23.825 10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.569 26.185 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.503 26.086 10.817 1.00 0.00 H new ATOM 8 N SER A 2 -5.299 25.644 9.328 1.00 0.00 N ATOM 9 CA SER A 2 -4.085 25.936 8.585 1.00 0.00 C ATOM 10 C SER A 2 -2.939 25.057 9.090 1.00 0.00 C ATOM 11 O SER A 2 -2.406 25.288 10.174 1.00 0.00 O ATOM 12 CB SER A 2 -3.710 27.415 8.702 1.00 0.00 C ATOM 13 OG SER A 2 -4.184 28.175 7.593 1.00 0.00 O ATOM 0 H SER A 2 -5.162 25.073 10.162 1.00 0.00 H new ATOM 0 HA SER A 2 -4.267 25.717 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.124 27.822 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.626 27.510 8.770 1.00 0.00 H new ATOM 0 HG SER A 2 -5.117 27.939 7.409 1.00 0.00 H new ATOM 19 N SER A 3 -2.594 24.067 8.279 1.00 0.00 N ATOM 20 CA SER A 3 -1.521 23.152 8.630 1.00 0.00 C ATOM 21 C SER A 3 -1.022 22.427 7.378 1.00 0.00 C ATOM 22 O SER A 3 -1.532 21.364 7.028 1.00 0.00 O ATOM 23 CB SER A 3 -1.981 22.141 9.681 1.00 0.00 C ATOM 24 OG SER A 3 -1.521 22.481 10.987 1.00 0.00 O ATOM 0 H SER A 3 -3.038 23.879 7.380 1.00 0.00 H new ATOM 0 HA SER A 3 -0.703 23.732 9.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.070 22.089 9.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.615 21.149 9.415 1.00 0.00 H new ATOM 0 HG SER A 3 -1.648 23.441 11.139 1.00 0.00 H new ATOM 30 N GLY A 4 -0.032 23.031 6.739 1.00 0.00 N ATOM 31 CA GLY A 4 0.542 22.456 5.534 1.00 0.00 C ATOM 32 C GLY A 4 1.436 21.260 5.869 1.00 0.00 C ATOM 33 O GLY A 4 0.940 20.178 6.181 1.00 0.00 O ATOM 0 H GLY A 4 0.388 23.913 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.256 22.141 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.123 23.213 5.007 1.00 0.00 H new ATOM 37 N SER A 5 2.737 21.495 5.792 1.00 0.00 N ATOM 38 CA SER A 5 3.705 20.451 6.083 1.00 0.00 C ATOM 39 C SER A 5 3.566 19.312 5.071 1.00 0.00 C ATOM 40 O SER A 5 2.645 18.502 5.165 1.00 0.00 O ATOM 41 CB SER A 5 3.530 19.920 7.507 1.00 0.00 C ATOM 42 OG SER A 5 4.009 20.841 8.483 1.00 0.00 O ATOM 0 H SER A 5 3.144 22.393 5.532 1.00 0.00 H new ATOM 0 HA SER A 5 4.704 20.879 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.475 19.714 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.062 18.974 7.609 1.00 0.00 H new ATOM 0 HG SER A 5 3.878 20.466 9.379 1.00 0.00 H new ATOM 48 N SER A 6 4.495 19.286 4.126 1.00 0.00 N ATOM 49 CA SER A 6 4.487 18.260 3.098 1.00 0.00 C ATOM 50 C SER A 6 4.977 16.932 3.680 1.00 0.00 C ATOM 51 O SER A 6 5.908 16.908 4.484 1.00 0.00 O ATOM 52 CB SER A 6 5.354 18.669 1.906 1.00 0.00 C ATOM 53 OG SER A 6 4.903 18.079 0.690 1.00 0.00 O ATOM 0 H SER A 6 5.258 19.959 4.051 1.00 0.00 H new ATOM 0 HA SER A 6 3.463 18.138 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.345 19.754 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.387 18.374 2.091 1.00 0.00 H new ATOM 0 HG SER A 6 5.481 18.366 -0.047 1.00 0.00 H new ATOM 59 N GLY A 7 4.328 15.860 3.251 1.00 0.00 N ATOM 60 CA GLY A 7 4.686 14.531 3.719 1.00 0.00 C ATOM 61 C GLY A 7 3.671 13.490 3.245 1.00 0.00 C ATOM 62 O GLY A 7 2.699 13.203 3.942 1.00 0.00 O ATOM 0 H GLY A 7 3.556 15.884 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.679 14.268 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.735 14.526 4.808 1.00 0.00 H new ATOM 66 N LEU A 8 3.930 12.954 2.061 1.00 0.00 N ATOM 67 CA LEU A 8 3.051 11.951 1.485 1.00 0.00 C ATOM 68 C LEU A 8 1.630 12.512 1.402 1.00 0.00 C ATOM 69 O LEU A 8 1.330 13.543 2.002 1.00 0.00 O ATOM 70 CB LEU A 8 3.149 10.639 2.268 1.00 0.00 C ATOM 71 CG LEU A 8 3.211 9.361 1.429 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.641 9.082 0.961 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.616 8.176 2.191 1.00 0.00 C ATOM 0 H LEU A 8 4.736 13.196 1.485 1.00 0.00 H new ATOM 0 HA LEU A 8 3.361 11.712 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.038 10.680 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.289 10.571 2.934 1.00 0.00 H new ATOM 0 HG LEU A 8 2.603 9.508 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.658 8.168 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.995 9.916 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.291 8.963 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.672 7.280 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.177 8.017 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.574 8.385 2.433 1.00 0.00 H new ATOM 85 N ASP A 9 0.793 11.809 0.652 1.00 0.00 N ATOM 86 CA ASP A 9 -0.589 12.224 0.482 1.00 0.00 C ATOM 87 C ASP A 9 -1.515 11.132 1.020 1.00 0.00 C ATOM 88 O ASP A 9 -1.696 10.097 0.381 1.00 0.00 O ATOM 89 CB ASP A 9 -0.921 12.441 -0.996 1.00 0.00 C ATOM 90 CG ASP A 9 -1.054 13.904 -1.421 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.753 14.772 -0.572 1.00 0.00 O ATOM 92 OD2 ASP A 9 -1.455 14.123 -2.585 1.00 0.00 O ATOM 0 H ASP A 9 1.046 10.955 0.155 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.729 13.159 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.144 11.972 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.855 11.926 -1.222 1.00 0.00 H new ATOM 97 N GLU A 10 -2.076 11.400 2.190 1.00 0.00 N ATOM 98 CA GLU A 10 -2.979 10.452 2.821 1.00 0.00 C ATOM 99 C GLU A 10 -4.314 10.413 2.074 1.00 0.00 C ATOM 100 O GLU A 10 -4.914 9.350 1.922 1.00 0.00 O ATOM 101 CB GLU A 10 -3.187 10.793 4.298 1.00 0.00 C ATOM 102 CG GLU A 10 -3.892 12.142 4.455 1.00 0.00 C ATOM 103 CD GLU A 10 -4.236 12.413 5.921 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.287 12.426 6.734 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.441 12.600 6.196 1.00 0.00 O ATOM 0 H GLU A 10 -1.923 12.260 2.717 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.528 9.461 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.778 10.012 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.224 10.820 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.251 12.938 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.803 12.152 3.856 1.00 0.00 H new ATOM 112 N SER A 11 -4.741 11.586 1.628 1.00 0.00 N ATOM 113 CA SER A 11 -5.994 11.699 0.901 1.00 0.00 C ATOM 114 C SER A 11 -6.128 10.544 -0.094 1.00 0.00 C ATOM 115 O SER A 11 -7.218 10.005 -0.282 1.00 0.00 O ATOM 116 CB SER A 11 -6.089 13.041 0.172 1.00 0.00 C ATOM 117 OG SER A 11 -7.429 13.521 0.111 1.00 0.00 O ATOM 0 H SER A 11 -4.241 12.466 1.756 1.00 0.00 H new ATOM 0 HA SER A 11 -6.812 11.648 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.464 13.775 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.696 12.933 -0.839 1.00 0.00 H new ATOM 0 HG SER A 11 -7.448 14.380 -0.360 1.00 0.00 H new ATOM 123 N VAL A 12 -5.004 10.198 -0.704 1.00 0.00 N ATOM 124 CA VAL A 12 -4.982 9.117 -1.675 1.00 0.00 C ATOM 125 C VAL A 12 -5.146 7.781 -0.948 1.00 0.00 C ATOM 126 O VAL A 12 -6.054 7.010 -1.256 1.00 0.00 O ATOM 127 CB VAL A 12 -3.703 9.190 -2.511 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.449 7.869 -3.241 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.757 10.359 -3.496 1.00 0.00 C ATOM 0 H VAL A 12 -4.102 10.647 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.815 9.212 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.869 9.363 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.534 7.948 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.345 7.065 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.287 7.652 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.836 10.388 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.606 10.230 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.868 11.293 -2.946 1.00 0.00 H new ATOM 139 N ILE A 13 -4.253 7.548 0.003 1.00 0.00 N ATOM 140 CA ILE A 13 -4.288 6.318 0.776 1.00 0.00 C ATOM 141 C ILE A 13 -5.713 6.075 1.276 1.00 0.00 C ATOM 142 O ILE A 13 -6.231 4.964 1.170 1.00 0.00 O ATOM 143 CB ILE A 13 -3.243 6.358 1.893 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.837 6.556 1.321 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.332 5.110 2.773 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.026 7.524 2.185 1.00 0.00 C ATOM 0 H ILE A 13 -3.501 8.190 0.256 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.020 5.467 0.150 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.457 7.217 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.324 5.596 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.905 6.941 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.578 5.164 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.323 5.053 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.158 4.223 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.031 7.648 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.529 8.490 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.939 7.125 3.195 1.00 0.00 H new ATOM 158 N ILE A 14 -6.307 7.132 1.812 1.00 0.00 N ATOM 159 CA ILE A 14 -7.662 7.047 2.329 1.00 0.00 C ATOM 160 C ILE A 14 -8.581 6.474 1.248 1.00 0.00 C ATOM 161 O ILE A 14 -9.277 5.487 1.480 1.00 0.00 O ATOM 162 CB ILE A 14 -8.116 8.406 2.865 1.00 0.00 C ATOM 163 CG1 ILE A 14 -7.551 8.660 4.264 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.641 8.526 2.833 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.313 9.556 4.201 1.00 0.00 C ATOM 0 H ILE A 14 -5.874 8.052 1.899 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.704 6.365 3.178 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.718 9.182 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.312 9.129 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.294 7.711 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.937 9.501 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.993 8.420 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.081 7.742 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.931 9.721 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.545 9.073 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.579 10.513 3.753 1.00 0.00 H new ATOM 177 N GLN A 15 -8.552 7.117 0.090 1.00 0.00 N ATOM 178 CA GLN A 15 -9.373 6.683 -1.027 1.00 0.00 C ATOM 179 C GLN A 15 -9.181 5.186 -1.278 1.00 0.00 C ATOM 180 O GLN A 15 -10.133 4.412 -1.191 1.00 0.00 O ATOM 181 CB GLN A 15 -9.060 7.495 -2.286 1.00 0.00 C ATOM 182 CG GLN A 15 -9.225 8.994 -2.027 1.00 0.00 C ATOM 183 CD GLN A 15 -10.251 9.606 -2.982 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.444 9.623 -2.726 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.723 10.106 -4.096 1.00 0.00 N ATOM 0 H GLN A 15 -7.973 7.935 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.419 6.857 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.041 7.289 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.722 7.187 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.541 9.156 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.265 9.496 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.716 10.059 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.326 10.536 -4.798 1.00 0.00 H new ATOM 194 N LEU A 16 -7.944 4.824 -1.584 1.00 0.00 N ATOM 195 CA LEU A 16 -7.615 3.434 -1.848 1.00 0.00 C ATOM 196 C LEU A 16 -8.202 2.556 -0.741 1.00 0.00 C ATOM 197 O LEU A 16 -8.836 1.540 -1.020 1.00 0.00 O ATOM 198 CB LEU A 16 -6.105 3.266 -2.032 1.00 0.00 C ATOM 199 CG LEU A 16 -5.466 4.109 -3.137 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.977 4.331 -2.865 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.711 3.486 -4.513 1.00 0.00 C ATOM 0 H LEU A 16 -7.157 5.469 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.065 3.108 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.615 3.508 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.899 2.216 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.943 5.089 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.547 4.933 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.854 4.850 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.468 3.368 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.246 4.105 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.278 2.486 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.783 3.423 -4.698 1.00 0.00 H new ATOM 213 N VAL A 17 -7.969 2.981 0.492 1.00 0.00 N ATOM 214 CA VAL A 17 -8.466 2.247 1.643 1.00 0.00 C ATOM 215 C VAL A 17 -9.996 2.217 1.602 1.00 0.00 C ATOM 216 O VAL A 17 -10.610 1.203 1.932 1.00 0.00 O ATOM 217 CB VAL A 17 -7.915 2.858 2.933 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.745 2.426 4.143 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.440 2.500 3.123 1.00 0.00 C ATOM 0 H VAL A 17 -7.442 3.825 0.719 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.119 1.214 1.615 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.988 3.942 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.332 2.874 5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.776 2.755 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.720 1.340 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.073 2.947 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.332 1.417 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.862 2.881 2.281 1.00 0.00 H new ATOM 229 N GLU A 18 -10.567 3.341 1.194 1.00 0.00 N ATOM 230 CA GLU A 18 -12.012 3.456 1.105 1.00 0.00 C ATOM 231 C GLU A 18 -12.558 2.490 0.051 1.00 0.00 C ATOM 232 O GLU A 18 -13.664 1.970 0.194 1.00 0.00 O ATOM 233 CB GLU A 18 -12.430 4.895 0.797 1.00 0.00 C ATOM 234 CG GLU A 18 -13.252 5.485 1.944 1.00 0.00 C ATOM 235 CD GLU A 18 -14.448 4.591 2.277 1.00 0.00 C ATOM 236 OE1 GLU A 18 -15.376 4.549 1.441 1.00 0.00 O ATOM 237 OE2 GLU A 18 -14.408 3.969 3.361 1.00 0.00 O ATOM 0 H GLU A 18 -10.055 4.180 0.921 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.438 3.187 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.544 5.507 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.014 4.919 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.622 5.600 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.602 6.480 1.671 1.00 0.00 H new ATOM 244 N MET A 19 -11.758 2.278 -0.983 1.00 0.00 N ATOM 245 CA MET A 19 -12.147 1.383 -2.059 1.00 0.00 C ATOM 246 C MET A 19 -12.197 -0.068 -1.576 1.00 0.00 C ATOM 247 O MET A 19 -12.997 -0.862 -2.068 1.00 0.00 O ATOM 248 CB MET A 19 -11.146 1.503 -3.210 1.00 0.00 C ATOM 249 CG MET A 19 -11.151 2.917 -3.796 1.00 0.00 C ATOM 250 SD MET A 19 -9.727 3.147 -4.848 1.00 0.00 S ATOM 251 CE MET A 19 -10.146 2.040 -6.183 1.00 0.00 C ATOM 0 H MET A 19 -10.842 2.711 -1.099 1.00 0.00 H new ATOM 0 HA MET A 19 -13.143 1.667 -2.400 1.00 0.00 H new ATOM 0 HB2 MET A 19 -10.146 1.257 -2.854 1.00 0.00 H new ATOM 0 HB3 MET A 19 -11.394 0.782 -3.989 1.00 0.00 H new ATOM 0 HG2 MET A 19 -12.065 3.080 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 19 -11.142 3.653 -2.992 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.499 2.239 -7.037 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.009 1.009 -5.857 1.00 0.00 H new ATOM 0 HE3 MET A 19 -11.186 2.195 -6.471 1.00 0.00 H new ATOM 261 N GLY A 20 -11.333 -0.369 -0.618 1.00 0.00 N ATOM 262 CA GLY A 20 -11.268 -1.710 -0.062 1.00 0.00 C ATOM 263 C GLY A 20 -9.864 -2.298 -0.210 1.00 0.00 C ATOM 264 O GLY A 20 -9.682 -3.321 -0.868 1.00 0.00 O ATOM 0 H GLY A 20 -10.672 0.293 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.546 -1.684 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.990 -2.352 -0.567 1.00 0.00 H new ATOM 268 N PHE A 21 -8.907 -1.626 0.412 1.00 0.00 N ATOM 269 CA PHE A 21 -7.524 -2.069 0.358 1.00 0.00 C ATOM 270 C PHE A 21 -6.822 -1.841 1.698 1.00 0.00 C ATOM 271 O PHE A 21 -7.294 -1.063 2.526 1.00 0.00 O ATOM 272 CB PHE A 21 -6.828 -1.232 -0.717 1.00 0.00 C ATOM 273 CG PHE A 21 -7.095 -1.709 -2.147 1.00 0.00 C ATOM 274 CD1 PHE A 21 -6.538 -2.867 -2.592 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.889 -0.975 -2.971 1.00 0.00 C ATOM 276 CE1 PHE A 21 -6.786 -3.310 -3.919 1.00 0.00 C ATOM 277 CE2 PHE A 21 -8.137 -1.418 -4.297 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.580 -2.576 -4.743 1.00 0.00 C ATOM 0 H PHE A 21 -9.062 -0.777 0.956 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.484 -3.135 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.154 -0.196 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.753 -1.246 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.907 -3.450 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.331 -0.055 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.344 -4.230 -4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.768 -0.835 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.769 -2.912 -5.752 1.00 0.00 H new ATOM 288 N PRO A 22 -5.677 -2.552 1.876 1.00 0.00 N ATOM 289 CA PRO A 22 -4.905 -2.435 3.101 1.00 0.00 C ATOM 290 C PRO A 22 -4.132 -1.116 3.139 1.00 0.00 C ATOM 291 O PRO A 22 -3.309 -0.850 2.264 1.00 0.00 O ATOM 292 CB PRO A 22 -3.999 -3.655 3.113 1.00 0.00 C ATOM 293 CG PRO A 22 -3.962 -4.162 1.680 1.00 0.00 C ATOM 294 CD PRO A 22 -5.088 -3.484 0.918 1.00 0.00 C ATOM 0 HA PRO A 22 -5.532 -2.412 3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.999 -3.395 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.383 -4.420 3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.000 -3.937 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.082 -5.245 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.712 -2.962 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.823 -4.210 0.569 1.00 0.00 H new ATOM 302 N MET A 23 -4.425 -0.324 4.160 1.00 0.00 N ATOM 303 CA MET A 23 -3.767 0.962 4.322 1.00 0.00 C ATOM 304 C MET A 23 -2.256 0.834 4.121 1.00 0.00 C ATOM 305 O MET A 23 -1.698 1.422 3.196 1.00 0.00 O ATOM 306 CB MET A 23 -4.052 1.507 5.723 1.00 0.00 C ATOM 307 CG MET A 23 -3.609 2.966 5.844 1.00 0.00 C ATOM 308 SD MET A 23 -4.114 3.629 7.423 1.00 0.00 S ATOM 309 CE MET A 23 -5.420 4.726 6.895 1.00 0.00 C ATOM 0 H MET A 23 -5.109 -0.548 4.883 1.00 0.00 H new ATOM 0 HA MET A 23 -4.157 1.647 3.569 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.118 1.428 5.938 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.531 0.902 6.465 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.526 3.036 5.741 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.045 3.555 5.037 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.849 5.226 7.764 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.015 5.471 6.211 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.195 4.151 6.388 1.00 0.00 H new ATOM 319 N ASP A 24 -1.637 0.062 5.002 1.00 0.00 N ATOM 320 CA ASP A 24 -0.201 -0.150 4.933 1.00 0.00 C ATOM 321 C ASP A 24 0.217 -0.304 3.469 1.00 0.00 C ATOM 322 O ASP A 24 1.081 0.426 2.986 1.00 0.00 O ATOM 323 CB ASP A 24 0.204 -1.424 5.676 1.00 0.00 C ATOM 324 CG ASP A 24 0.125 -1.335 7.202 1.00 0.00 C ATOM 325 OD1 ASP A 24 0.250 -0.201 7.711 1.00 0.00 O ATOM 326 OD2 ASP A 24 -0.058 -2.404 7.824 1.00 0.00 O ATOM 0 H ASP A 24 -2.104 -0.424 5.768 1.00 0.00 H new ATOM 0 HA ASP A 24 0.289 0.708 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.435 -2.241 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.225 -1.682 5.394 1.00 0.00 H new ATOM 331 N ALA A 25 -0.415 -1.260 2.803 1.00 0.00 N ATOM 332 CA ALA A 25 -0.120 -1.519 1.405 1.00 0.00 C ATOM 333 C ALA A 25 -0.348 -0.241 0.594 1.00 0.00 C ATOM 334 O ALA A 25 0.458 0.102 -0.270 1.00 0.00 O ATOM 335 CB ALA A 25 -0.978 -2.685 0.909 1.00 0.00 C ATOM 0 H ALA A 25 -1.130 -1.865 3.207 1.00 0.00 H new ATOM 0 HA ALA A 25 0.924 -1.806 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.756 -2.879 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.757 -3.576 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.033 -2.432 1.016 1.00 0.00 H new ATOM 341 N CYS A 26 -1.449 0.428 0.902 1.00 0.00 N ATOM 342 CA CYS A 26 -1.793 1.660 0.213 1.00 0.00 C ATOM 343 C CYS A 26 -0.656 2.662 0.425 1.00 0.00 C ATOM 344 O CYS A 26 -0.270 3.372 -0.502 1.00 0.00 O ATOM 345 CB CYS A 26 -3.138 2.216 0.686 1.00 0.00 C ATOM 346 SG CYS A 26 -4.507 1.250 -0.051 1.00 0.00 S ATOM 0 H CYS A 26 -2.115 0.140 1.619 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.910 1.463 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.196 2.174 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.228 3.265 0.402 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.640 1.827 0.219 1.00 0.00 H new ATOM 352 N ARG A 27 -0.152 2.687 1.650 1.00 0.00 N ATOM 353 CA ARG A 27 0.932 3.590 1.994 1.00 0.00 C ATOM 354 C ARG A 27 2.220 3.170 1.282 1.00 0.00 C ATOM 355 O ARG A 27 3.052 4.012 0.948 1.00 0.00 O ATOM 356 CB ARG A 27 1.176 3.607 3.505 1.00 0.00 C ATOM 357 CG ARG A 27 0.362 4.713 4.179 1.00 0.00 C ATOM 358 CD ARG A 27 0.185 4.430 5.673 1.00 0.00 C ATOM 359 NE ARG A 27 0.708 5.563 6.468 1.00 0.00 N ATOM 360 CZ ARG A 27 0.060 6.723 6.640 1.00 0.00 C ATOM 361 NH1 ARG A 27 -1.140 6.910 6.074 1.00 0.00 N ATOM 362 NH2 ARG A 27 0.612 7.696 7.378 1.00 0.00 N ATOM 0 H ARG A 27 -0.475 2.096 2.416 1.00 0.00 H new ATOM 0 HA ARG A 27 0.644 4.591 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.906 2.641 3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.237 3.758 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.862 5.672 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.615 4.793 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.870 4.272 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.709 3.513 5.943 1.00 0.00 H new ATOM 0 HE ARG A 27 1.619 5.454 6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.560 6.169 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.634 7.793 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.526 7.553 7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.119 8.579 7.509 1.00 0.00 H new ATOM 376 N LYS A 28 2.343 1.868 1.069 1.00 0.00 N ATOM 377 CA LYS A 28 3.514 1.327 0.402 1.00 0.00 C ATOM 378 C LYS A 28 3.604 1.906 -1.011 1.00 0.00 C ATOM 379 O LYS A 28 4.644 2.432 -1.405 1.00 0.00 O ATOM 380 CB LYS A 28 3.492 -0.203 0.439 1.00 0.00 C ATOM 381 CG LYS A 28 4.102 -0.728 1.741 1.00 0.00 C ATOM 382 CD LYS A 28 4.538 -2.187 1.592 1.00 0.00 C ATOM 383 CE LYS A 28 3.421 -3.033 0.977 1.00 0.00 C ATOM 384 NZ LYS A 28 3.908 -4.400 0.683 1.00 0.00 N ATOM 0 H LYS A 28 1.651 1.172 1.347 1.00 0.00 H new ATOM 0 HA LYS A 28 4.422 1.623 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.466 -0.558 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.046 -0.599 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.959 -0.115 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.375 -0.643 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.428 -2.242 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.810 -2.591 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.574 -3.082 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.063 -2.563 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.138 -4.961 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.701 -4.349 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.228 -4.852 1.564 1.00 0.00 H new ATOM 398 N ALA A 29 2.501 1.790 -1.736 1.00 0.00 N ATOM 399 CA ALA A 29 2.443 2.295 -3.097 1.00 0.00 C ATOM 400 C ALA A 29 2.843 3.772 -3.105 1.00 0.00 C ATOM 401 O ALA A 29 3.883 4.134 -3.653 1.00 0.00 O ATOM 402 CB ALA A 29 1.041 2.068 -3.666 1.00 0.00 C ATOM 0 H ALA A 29 1.640 1.353 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 29 3.145 1.759 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.997 2.447 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.816 1.001 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.310 2.594 -3.052 1.00 0.00 H new ATOM 408 N VAL A 30 1.996 4.585 -2.492 1.00 0.00 N ATOM 409 CA VAL A 30 2.248 6.014 -2.422 1.00 0.00 C ATOM 410 C VAL A 30 3.738 6.253 -2.167 1.00 0.00 C ATOM 411 O VAL A 30 4.396 6.959 -2.930 1.00 0.00 O ATOM 412 CB VAL A 30 1.351 6.653 -1.360 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.657 8.144 -1.208 1.00 0.00 C ATOM 414 CG2 VAL A 30 -0.127 6.426 -1.682 1.00 0.00 C ATOM 0 H VAL A 30 1.134 4.281 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 30 1.999 6.492 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 30 1.564 6.169 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.005 8.573 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.697 8.273 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.487 8.649 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.743 6.890 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.361 6.870 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.332 5.356 -1.714 1.00 0.00 H new ATOM 424 N TYR A 31 4.226 5.651 -1.093 1.00 0.00 N ATOM 425 CA TYR A 31 5.626 5.789 -0.728 1.00 0.00 C ATOM 426 C TYR A 31 6.536 5.449 -1.910 1.00 0.00 C ATOM 427 O TYR A 31 7.253 6.312 -2.415 1.00 0.00 O ATOM 428 CB TYR A 31 5.871 4.781 0.395 1.00 0.00 C ATOM 429 CG TYR A 31 7.339 4.653 0.809 1.00 0.00 C ATOM 430 CD1 TYR A 31 8.034 5.766 1.236 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.967 3.426 0.754 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.415 5.647 1.625 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.348 3.306 1.143 1.00 0.00 C ATOM 434 CZ TYR A 31 10.004 4.422 1.559 1.00 0.00 C ATOM 435 OH TYR A 31 11.309 4.309 1.927 1.00 0.00 O ATOM 0 H TYR A 31 3.677 5.066 -0.463 1.00 0.00 H new ATOM 0 HA TYR A 31 5.844 6.813 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.283 5.073 1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.507 3.804 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.542 6.726 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.423 2.555 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.971 6.510 1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.851 2.351 1.105 1.00 0.00 H new ATOM 0 HH TYR A 31 11.597 3.377 1.830 1.00 0.00 H new ATOM 445 N TYR A 32 6.479 4.190 -2.317 1.00 0.00 N ATOM 446 CA TYR A 32 7.289 3.725 -3.430 1.00 0.00 C ATOM 447 C TYR A 32 7.122 4.636 -4.648 1.00 0.00 C ATOM 448 O TYR A 32 8.078 4.875 -5.384 1.00 0.00 O ATOM 449 CB TYR A 32 6.768 2.329 -3.777 1.00 0.00 C ATOM 450 CG TYR A 32 7.192 1.242 -2.786 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.527 1.071 -2.480 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.240 0.434 -2.199 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.926 0.048 -1.548 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.639 -0.589 -1.267 1.00 0.00 C ATOM 455 CZ TYR A 32 7.962 -0.731 -0.988 1.00 0.00 C ATOM 456 OH TYR A 32 8.339 -1.697 -0.107 1.00 0.00 O ATOM 0 H TYR A 32 5.884 3.477 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 32 8.345 3.722 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.679 2.360 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.121 2.057 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.272 1.704 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.196 0.569 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.967 -0.097 -1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.904 -1.228 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 32 7.546 -2.175 0.214 1.00 0.00 H new ATOM 466 N THR A 33 5.901 5.119 -4.823 1.00 0.00 N ATOM 467 CA THR A 33 5.596 5.998 -5.939 1.00 0.00 C ATOM 468 C THR A 33 5.808 7.459 -5.539 1.00 0.00 C ATOM 469 O THR A 33 5.258 8.364 -6.165 1.00 0.00 O ATOM 470 CB THR A 33 4.170 5.695 -6.403 1.00 0.00 C ATOM 471 OG1 THR A 33 3.348 6.223 -5.366 1.00 0.00 O ATOM 472 CG2 THR A 33 3.858 4.197 -6.400 1.00 0.00 C ATOM 0 H THR A 33 5.111 4.918 -4.210 1.00 0.00 H new ATOM 0 HA THR A 33 6.270 5.822 -6.778 1.00 0.00 H new ATOM 0 HB THR A 33 4.023 6.094 -7.407 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.904 6.452 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.834 4.038 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.545 3.681 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.972 3.804 -5.390 1.00 0.00 H new ATOM 480 N GLY A 34 6.607 7.645 -4.499 1.00 0.00 N ATOM 481 CA GLY A 34 6.898 8.982 -4.008 1.00 0.00 C ATOM 482 C GLY A 34 5.664 9.882 -4.103 1.00 0.00 C ATOM 483 O GLY A 34 5.774 11.058 -4.446 1.00 0.00 O ATOM 0 H GLY A 34 7.062 6.892 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.234 8.928 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.714 9.416 -4.586 1.00 0.00 H new ATOM 487 N ASN A 35 4.518 9.294 -3.792 1.00 0.00 N ATOM 488 CA ASN A 35 3.265 10.028 -3.837 1.00 0.00 C ATOM 489 C ASN A 35 3.197 10.834 -5.136 1.00 0.00 C ATOM 490 O ASN A 35 3.561 12.009 -5.160 1.00 0.00 O ATOM 491 CB ASN A 35 3.157 11.007 -2.667 1.00 0.00 C ATOM 492 CG ASN A 35 1.985 11.971 -2.864 1.00 0.00 C ATOM 493 OD1 ASN A 35 1.160 11.813 -3.749 1.00 0.00 O ATOM 494 ND2 ASN A 35 1.957 12.974 -1.992 1.00 0.00 N ATOM 0 H ASN A 35 4.431 8.318 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 35 2.450 9.307 -3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.025 10.454 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.085 11.571 -2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.213 13.670 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.679 13.047 -1.275 1.00 0.00 H new ATOM 501 N SER A 36 2.730 10.171 -6.183 1.00 0.00 N ATOM 502 CA SER A 36 2.611 10.812 -7.482 1.00 0.00 C ATOM 503 C SER A 36 1.140 11.104 -7.788 1.00 0.00 C ATOM 504 O SER A 36 0.822 12.107 -8.424 1.00 0.00 O ATOM 505 CB SER A 36 3.220 9.942 -8.583 1.00 0.00 C ATOM 506 OG SER A 36 4.270 10.612 -9.274 1.00 0.00 O ATOM 0 H SER A 36 2.429 9.197 -6.159 1.00 0.00 H new ATOM 0 HA SER A 36 3.163 11.752 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.604 9.020 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.443 9.658 -9.292 1.00 0.00 H new ATOM 0 HG SER A 36 4.633 10.023 -9.967 1.00 0.00 H new ATOM 512 N GLY A 37 0.282 10.208 -7.321 1.00 0.00 N ATOM 513 CA GLY A 37 -1.147 10.357 -7.538 1.00 0.00 C ATOM 514 C GLY A 37 -1.878 9.034 -7.302 1.00 0.00 C ATOM 515 O GLY A 37 -1.265 7.968 -7.332 1.00 0.00 O ATOM 0 H GLY A 37 0.549 9.377 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.543 11.120 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.330 10.701 -8.556 1.00 0.00 H new ATOM 519 N ALA A 38 -3.178 9.146 -7.071 1.00 0.00 N ATOM 520 CA ALA A 38 -3.999 7.972 -6.830 1.00 0.00 C ATOM 521 C ALA A 38 -3.794 6.969 -7.968 1.00 0.00 C ATOM 522 O ALA A 38 -3.371 5.838 -7.735 1.00 0.00 O ATOM 523 CB ALA A 38 -5.462 8.393 -6.681 1.00 0.00 C ATOM 0 H ALA A 38 -3.683 10.032 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.705 7.482 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.078 7.512 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.559 9.082 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.794 8.886 -7.595 1.00 0.00 H new ATOM 529 N GLU A 39 -4.105 7.420 -9.174 1.00 0.00 N ATOM 530 CA GLU A 39 -3.960 6.577 -10.348 1.00 0.00 C ATOM 531 C GLU A 39 -2.563 5.955 -10.387 1.00 0.00 C ATOM 532 O GLU A 39 -2.424 4.733 -10.392 1.00 0.00 O ATOM 533 CB GLU A 39 -4.245 7.366 -11.628 1.00 0.00 C ATOM 534 CG GLU A 39 -5.184 6.589 -12.554 1.00 0.00 C ATOM 535 CD GLU A 39 -6.134 7.536 -13.289 1.00 0.00 C ATOM 536 OE1 GLU A 39 -6.970 8.154 -12.595 1.00 0.00 O ATOM 537 OE2 GLU A 39 -6.004 7.620 -14.530 1.00 0.00 O ATOM 0 H GLU A 39 -4.457 8.358 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.692 5.772 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.692 8.327 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.309 7.576 -12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.599 6.021 -13.277 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.760 5.869 -11.973 1.00 0.00 H new ATOM 544 N ALA A 40 -1.564 6.825 -10.413 1.00 0.00 N ATOM 545 CA ALA A 40 -0.182 6.376 -10.450 1.00 0.00 C ATOM 546 C ALA A 40 0.036 5.319 -9.366 1.00 0.00 C ATOM 547 O ALA A 40 0.433 4.193 -9.663 1.00 0.00 O ATOM 548 CB ALA A 40 0.750 7.578 -10.288 1.00 0.00 C ATOM 0 H ALA A 40 -1.684 7.838 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 40 0.046 5.914 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.786 7.241 -10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.576 8.285 -11.099 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.552 8.066 -9.333 1.00 0.00 H new ATOM 554 N ALA A 41 -0.234 5.718 -8.132 1.00 0.00 N ATOM 555 CA ALA A 41 -0.072 4.819 -7.002 1.00 0.00 C ATOM 556 C ALA A 41 -0.826 3.517 -7.280 1.00 0.00 C ATOM 557 O ALA A 41 -0.245 2.435 -7.225 1.00 0.00 O ATOM 558 CB ALA A 41 -0.554 5.511 -5.725 1.00 0.00 C ATOM 0 H ALA A 41 -0.564 6.652 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 41 0.979 4.568 -6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.432 4.836 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.033 6.414 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.606 5.776 -5.830 1.00 0.00 H new ATOM 564 N MET A 42 -2.110 3.666 -7.571 1.00 0.00 N ATOM 565 CA MET A 42 -2.950 2.515 -7.857 1.00 0.00 C ATOM 566 C MET A 42 -2.184 1.463 -8.662 1.00 0.00 C ATOM 567 O MET A 42 -2.082 0.311 -8.245 1.00 0.00 O ATOM 568 CB MET A 42 -4.181 2.965 -8.646 1.00 0.00 C ATOM 569 CG MET A 42 -5.470 2.586 -7.914 1.00 0.00 C ATOM 570 SD MET A 42 -6.881 3.273 -8.767 1.00 0.00 S ATOM 571 CE MET A 42 -7.490 1.809 -9.587 1.00 0.00 C ATOM 0 H MET A 42 -2.589 4.565 -7.615 1.00 0.00 H new ATOM 0 HA MET A 42 -3.257 2.069 -6.911 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.147 4.044 -8.795 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.172 2.506 -9.635 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.561 1.501 -7.858 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.438 2.956 -6.889 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.310 2.079 -10.252 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.686 1.356 -10.168 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.846 1.097 -8.843 1.00 0.00 H new ATOM 581 N ASN A 43 -1.665 1.898 -9.801 1.00 0.00 N ATOM 582 CA ASN A 43 -0.912 1.009 -10.668 1.00 0.00 C ATOM 583 C ASN A 43 0.006 0.130 -9.816 1.00 0.00 C ATOM 584 O ASN A 43 -0.105 -1.095 -9.839 1.00 0.00 O ATOM 585 CB ASN A 43 -0.037 1.800 -11.642 1.00 0.00 C ATOM 586 CG ASN A 43 -0.220 1.298 -13.076 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.475 0.131 -13.325 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.076 2.242 -14.002 1.00 0.00 N ATOM 0 H ASN A 43 -1.751 2.855 -10.143 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.623 0.405 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.292 2.858 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.010 1.709 -11.352 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.179 2.008 -14.989 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.137 3.200 -13.725 1.00 0.00 H new ATOM 595 N TRP A 44 0.892 0.789 -9.084 1.00 0.00 N ATOM 596 CA TRP A 44 1.828 0.083 -8.226 1.00 0.00 C ATOM 597 C TRP A 44 1.049 -0.980 -7.450 1.00 0.00 C ATOM 598 O TRP A 44 1.518 -2.106 -7.291 1.00 0.00 O ATOM 599 CB TRP A 44 2.579 1.057 -7.316 1.00 0.00 C ATOM 600 CG TRP A 44 3.625 0.390 -6.419 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.950 0.326 -6.604 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.375 -0.309 -5.181 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.571 -0.361 -5.581 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.583 -0.759 -4.688 1.00 0.00 C ATOM 605 CE3 TRP A 44 2.169 -0.553 -4.501 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.702 -1.480 -3.494 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.305 -1.275 -3.310 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.514 -1.735 -2.799 1.00 0.00 C ATOM 0 H TRP A 44 0.981 1.805 -9.067 1.00 0.00 H new ATOM 0 HA TRP A 44 2.596 -0.413 -8.819 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.071 1.809 -7.933 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.858 1.581 -6.688 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.467 0.758 -7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.571 -0.543 -5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.213 -0.210 -4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.659 -1.821 -3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.408 -1.490 -2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.536 -2.286 -1.871 1.00 0.00 H new ATOM 619 N VAL A 45 -0.129 -0.586 -6.988 1.00 0.00 N ATOM 620 CA VAL A 45 -0.978 -1.491 -6.233 1.00 0.00 C ATOM 621 C VAL A 45 -1.476 -2.606 -7.155 1.00 0.00 C ATOM 622 O VAL A 45 -1.379 -3.785 -6.818 1.00 0.00 O ATOM 623 CB VAL A 45 -2.115 -0.711 -5.570 1.00 0.00 C ATOM 624 CG1 VAL A 45 -2.822 -1.564 -4.515 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.602 0.597 -4.964 1.00 0.00 C ATOM 0 H VAL A 45 -0.515 0.348 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.413 -1.963 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.843 -0.460 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.626 -0.986 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.238 -2.455 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.107 -1.860 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.430 1.132 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.844 0.377 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.166 1.215 -5.749 1.00 0.00 H new ATOM 635 N MET A 46 -1.997 -2.193 -8.301 1.00 0.00 N ATOM 636 CA MET A 46 -2.510 -3.142 -9.275 1.00 0.00 C ATOM 637 C MET A 46 -1.434 -4.151 -9.676 1.00 0.00 C ATOM 638 O MET A 46 -1.746 -5.233 -10.173 1.00 0.00 O ATOM 639 CB MET A 46 -2.993 -2.389 -10.516 1.00 0.00 C ATOM 640 CG MET A 46 -4.057 -1.352 -10.149 1.00 0.00 C ATOM 641 SD MET A 46 -5.376 -2.129 -9.231 1.00 0.00 S ATOM 642 CE MET A 46 -5.468 -1.028 -7.829 1.00 0.00 C ATOM 0 H MET A 46 -2.075 -1.214 -8.577 1.00 0.00 H new ATOM 0 HA MET A 46 -3.340 -3.685 -8.823 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.149 -1.895 -10.997 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.402 -3.096 -11.238 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.610 -0.555 -9.555 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.455 -0.891 -11.053 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.432 -1.609 -6.907 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.627 -0.335 -7.855 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.402 -0.467 -7.868 1.00 0.00 H new ATOM 652 N SER A 47 -0.188 -3.763 -9.447 1.00 0.00 N ATOM 653 CA SER A 47 0.937 -4.621 -9.779 1.00 0.00 C ATOM 654 C SER A 47 1.306 -5.489 -8.574 1.00 0.00 C ATOM 655 O SER A 47 1.567 -6.682 -8.721 1.00 0.00 O ATOM 656 CB SER A 47 2.145 -3.796 -10.228 1.00 0.00 C ATOM 657 OG SER A 47 2.743 -4.326 -11.408 1.00 0.00 O ATOM 0 H SER A 47 0.067 -2.865 -9.035 1.00 0.00 H new ATOM 0 HA SER A 47 0.643 -5.266 -10.607 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.834 -2.767 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.884 -3.769 -9.427 1.00 0.00 H new ATOM 0 HG SER A 47 3.509 -3.771 -11.664 1.00 0.00 H new ATOM 663 N HIS A 48 1.316 -4.856 -7.410 1.00 0.00 N ATOM 664 CA HIS A 48 1.649 -5.556 -6.181 1.00 0.00 C ATOM 665 C HIS A 48 0.529 -6.538 -5.830 1.00 0.00 C ATOM 666 O HIS A 48 0.784 -7.717 -5.593 1.00 0.00 O ATOM 667 CB HIS A 48 1.943 -4.565 -5.054 1.00 0.00 C ATOM 668 CG HIS A 48 3.392 -4.148 -4.965 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.217 -4.522 -3.918 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.154 -3.388 -5.803 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.418 -4.004 -4.127 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.377 -3.300 -5.295 1.00 0.00 N ATOM 0 H HIS A 48 1.099 -3.866 -7.292 1.00 0.00 H new ATOM 0 HA HIS A 48 2.561 -6.135 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.328 -3.676 -5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.645 -5.011 -4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.819 -2.935 -6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.279 -4.119 -3.485 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.157 -2.790 -5.709 1.00 0.00 H new ATOM 680 N MET A 49 -0.688 -6.014 -5.807 1.00 0.00 N ATOM 681 CA MET A 49 -1.848 -6.829 -5.489 1.00 0.00 C ATOM 682 C MET A 49 -1.752 -8.203 -6.155 1.00 0.00 C ATOM 683 O MET A 49 -2.302 -9.181 -5.651 1.00 0.00 O ATOM 684 CB MET A 49 -3.117 -6.118 -5.963 1.00 0.00 C ATOM 685 CG MET A 49 -3.189 -6.087 -7.491 1.00 0.00 C ATOM 686 SD MET A 49 -4.833 -5.632 -8.016 1.00 0.00 S ATOM 687 CE MET A 49 -5.546 -7.253 -8.242 1.00 0.00 C ATOM 0 H MET A 49 -0.896 -5.035 -6.003 1.00 0.00 H new ATOM 0 HA MET A 49 -1.883 -6.972 -4.409 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.994 -6.627 -5.564 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.135 -5.100 -5.574 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.463 -5.375 -7.883 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.927 -7.065 -7.895 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.580 -7.153 -8.572 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.976 -7.799 -8.994 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.517 -7.798 -7.298 1.00 0.00 H new ATOM 697 N ASP A 50 -1.049 -8.233 -7.278 1.00 0.00 N ATOM 698 CA ASP A 50 -0.874 -9.470 -8.018 1.00 0.00 C ATOM 699 C ASP A 50 -0.361 -10.558 -7.072 1.00 0.00 C ATOM 700 O ASP A 50 -0.735 -11.723 -7.198 1.00 0.00 O ATOM 701 CB ASP A 50 0.150 -9.300 -9.142 1.00 0.00 C ATOM 702 CG ASP A 50 0.277 -10.495 -10.088 1.00 0.00 C ATOM 703 OD1 ASP A 50 -0.576 -10.593 -10.997 1.00 0.00 O ATOM 704 OD2 ASP A 50 1.224 -11.285 -9.882 1.00 0.00 O ATOM 0 H ASP A 50 -0.594 -7.420 -7.693 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.838 -9.745 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.118 -8.420 -9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.125 -9.103 -8.697 1.00 0.00 H new ATOM 709 N ASP A 51 0.487 -10.139 -6.145 1.00 0.00 N ATOM 710 CA ASP A 51 1.055 -11.062 -5.177 1.00 0.00 C ATOM 711 C ASP A 51 0.319 -10.914 -3.844 1.00 0.00 C ATOM 712 O ASP A 51 -0.173 -9.835 -3.519 1.00 0.00 O ATOM 713 CB ASP A 51 2.536 -10.764 -4.935 1.00 0.00 C ATOM 714 CG ASP A 51 2.977 -9.344 -5.295 1.00 0.00 C ATOM 715 OD1 ASP A 51 3.155 -9.095 -6.507 1.00 0.00 O ATOM 716 OD2 ASP A 51 3.127 -8.540 -4.350 1.00 0.00 O ATOM 0 H ASP A 51 0.795 -9.172 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 51 0.950 -12.072 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.760 -10.942 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.132 -11.471 -5.512 1.00 0.00 H new ATOM 721 N PRO A 52 0.266 -12.044 -3.089 1.00 0.00 N ATOM 722 CA PRO A 52 -0.402 -12.050 -1.798 1.00 0.00 C ATOM 723 C PRO A 52 0.444 -11.340 -0.740 1.00 0.00 C ATOM 724 O PRO A 52 0.007 -11.168 0.397 1.00 0.00 O ATOM 725 CB PRO A 52 -0.637 -13.519 -1.484 1.00 0.00 C ATOM 726 CG PRO A 52 0.315 -14.294 -2.380 1.00 0.00 C ATOM 727 CD PRO A 52 0.837 -13.340 -3.442 1.00 0.00 C ATOM 0 HA PRO A 52 -1.345 -11.503 -1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.442 -13.730 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.672 -13.799 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.140 -14.704 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.198 -15.137 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.926 -13.306 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.527 -13.651 -4.440 1.00 0.00 H new ATOM 735 N ASP A 53 1.641 -10.947 -1.150 1.00 0.00 N ATOM 736 CA ASP A 53 2.552 -10.260 -0.251 1.00 0.00 C ATOM 737 C ASP A 53 2.349 -8.750 -0.383 1.00 0.00 C ATOM 738 O ASP A 53 3.239 -7.969 -0.049 1.00 0.00 O ATOM 739 CB ASP A 53 4.009 -10.573 -0.599 1.00 0.00 C ATOM 740 CG ASP A 53 4.512 -9.948 -1.901 1.00 0.00 C ATOM 741 OD1 ASP A 53 4.387 -8.710 -2.022 1.00 0.00 O ATOM 742 OD2 ASP A 53 5.010 -10.722 -2.747 1.00 0.00 O ATOM 0 H ASP A 53 2.001 -11.091 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 53 2.343 -10.597 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.643 -10.232 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.127 -11.655 -0.664 1.00 0.00 H new ATOM 747 N PHE A 54 1.173 -8.383 -0.870 1.00 0.00 N ATOM 748 CA PHE A 54 0.841 -6.980 -1.050 1.00 0.00 C ATOM 749 C PHE A 54 0.202 -6.401 0.214 1.00 0.00 C ATOM 750 O PHE A 54 0.513 -5.280 0.614 1.00 0.00 O ATOM 751 CB PHE A 54 -0.166 -6.902 -2.198 1.00 0.00 C ATOM 752 CG PHE A 54 -1.041 -5.646 -2.174 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.477 -4.421 -2.347 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.383 -5.756 -1.979 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.289 -3.256 -2.325 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.194 -4.591 -1.957 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.630 -3.366 -2.130 1.00 0.00 C ATOM 0 H PHE A 54 0.437 -9.034 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 54 1.745 -6.408 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.374 -6.938 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.809 -7.781 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.588 -4.334 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.831 -6.729 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.841 -2.283 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.259 -4.678 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.247 -2.480 -2.113 1.00 0.00 H new ATOM 767 N ALA A 55 -0.679 -7.192 0.808 1.00 0.00 N ATOM 768 CA ALA A 55 -1.365 -6.772 2.019 1.00 0.00 C ATOM 769 C ALA A 55 -0.347 -6.624 3.151 1.00 0.00 C ATOM 770 O ALA A 55 -0.481 -5.744 4.000 1.00 0.00 O ATOM 771 CB ALA A 55 -2.469 -7.777 2.355 1.00 0.00 C ATOM 0 H ALA A 55 -0.934 -8.121 0.474 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.840 -5.802 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.983 -7.462 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.182 -7.823 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.029 -8.762 2.510 1.00 0.00 H new ATOM 777 N ASN A 56 0.648 -7.499 3.127 1.00 0.00 N ATOM 778 CA ASN A 56 1.688 -7.476 4.141 1.00 0.00 C ATOM 779 C ASN A 56 2.075 -6.026 4.437 1.00 0.00 C ATOM 780 O ASN A 56 1.867 -5.143 3.607 1.00 0.00 O ATOM 781 CB ASN A 56 2.941 -8.212 3.661 1.00 0.00 C ATOM 782 CG ASN A 56 2.587 -9.590 3.100 1.00 0.00 C ATOM 783 OD1 ASN A 56 1.448 -10.027 3.130 1.00 0.00 O ATOM 784 ND2 ASN A 56 3.623 -10.248 2.589 1.00 0.00 N ATOM 0 H ASN A 56 0.756 -8.228 2.422 1.00 0.00 H new ATOM 0 HA ASN A 56 1.300 -7.968 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.443 -7.621 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.642 -8.322 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.490 -11.177 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.550 -9.824 2.596 1.00 0.00 H new ATOM 791 N PRO A 57 2.647 -5.820 5.654 1.00 0.00 N ATOM 792 CA PRO A 57 3.065 -4.492 6.069 1.00 0.00 C ATOM 793 C PRO A 57 4.352 -4.074 5.356 1.00 0.00 C ATOM 794 O PRO A 57 4.924 -4.852 4.594 1.00 0.00 O ATOM 795 CB PRO A 57 3.225 -4.584 7.578 1.00 0.00 C ATOM 796 CG PRO A 57 3.343 -6.066 7.895 1.00 0.00 C ATOM 797 CD PRO A 57 2.908 -6.842 6.663 1.00 0.00 C ATOM 0 HA PRO A 57 2.341 -3.721 5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.110 -4.042 7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.370 -4.142 8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.369 -6.319 8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.718 -6.325 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.685 -7.533 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.017 -7.437 6.864 1.00 0.00 H new ATOM 805 N LEU A 58 4.770 -2.847 5.629 1.00 0.00 N ATOM 806 CA LEU A 58 5.980 -2.317 5.023 1.00 0.00 C ATOM 807 C LEU A 58 7.178 -2.642 5.916 1.00 0.00 C ATOM 808 O LEU A 58 7.260 -2.168 7.048 1.00 0.00 O ATOM 809 CB LEU A 58 5.820 -0.824 4.727 1.00 0.00 C ATOM 810 CG LEU A 58 7.094 -0.082 4.316 1.00 0.00 C ATOM 811 CD1 LEU A 58 7.378 -0.264 2.824 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.019 1.395 4.709 1.00 0.00 C ATOM 0 H LEU A 58 4.293 -2.205 6.261 1.00 0.00 H new ATOM 0 HA LEU A 58 6.163 -2.792 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.083 -0.708 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.411 -0.340 5.614 1.00 0.00 H new ATOM 0 HG LEU A 58 7.933 -0.518 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.288 0.273 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.505 -1.324 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.543 0.129 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.937 1.899 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.168 1.861 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.899 1.478 5.789 1.00 0.00 H new ATOM 824 N ILE A 59 8.078 -3.449 5.374 1.00 0.00 N ATOM 825 CA ILE A 59 9.268 -3.843 6.108 1.00 0.00 C ATOM 826 C ILE A 59 9.905 -2.605 6.742 1.00 0.00 C ATOM 827 O ILE A 59 10.511 -1.789 6.048 1.00 0.00 O ATOM 828 CB ILE A 59 10.220 -4.629 5.204 1.00 0.00 C ATOM 829 CG1 ILE A 59 9.611 -5.975 4.805 1.00 0.00 C ATOM 830 CG2 ILE A 59 11.591 -4.793 5.861 1.00 0.00 C ATOM 831 CD1 ILE A 59 9.282 -6.007 3.311 1.00 0.00 C ATOM 0 H ILE A 59 8.007 -3.841 4.435 1.00 0.00 H new ATOM 0 HA ILE A 59 9.006 -4.519 6.922 1.00 0.00 H new ATOM 0 HB ILE A 59 10.369 -4.058 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.307 -6.779 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.705 -6.154 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.248 -5.355 5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.023 -3.811 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.481 -5.330 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.851 -6.974 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.567 -5.218 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.194 -5.852 2.734 1.00 0.00 H new ATOM 843 N LEU A 60 9.747 -2.503 8.053 1.00 0.00 N ATOM 844 CA LEU A 60 10.299 -1.377 8.788 1.00 0.00 C ATOM 845 C LEU A 60 11.786 -1.624 9.049 1.00 0.00 C ATOM 846 O LEU A 60 12.208 -2.766 9.227 1.00 0.00 O ATOM 847 CB LEU A 60 9.487 -1.117 10.059 1.00 0.00 C ATOM 848 CG LEU A 60 10.044 -1.725 11.348 1.00 0.00 C ATOM 849 CD1 LEU A 60 11.232 -0.912 11.868 1.00 0.00 C ATOM 850 CD2 LEU A 60 8.947 -1.875 12.403 1.00 0.00 C ATOM 0 H LEU A 60 9.245 -3.181 8.626 1.00 0.00 H new ATOM 0 HA LEU A 60 10.225 -0.464 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.401 -0.039 10.197 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.478 -1.500 9.906 1.00 0.00 H new ATOM 0 HG LEU A 60 10.412 -2.726 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.609 -1.365 12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.022 -0.901 11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.912 0.110 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.370 -2.309 13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.526 -0.896 12.632 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.161 -2.527 12.021 1.00 0.00 H new ATOM 862 N PRO A 61 12.560 -0.506 9.064 1.00 0.00 N ATOM 863 CA PRO A 61 13.991 -0.590 9.300 1.00 0.00 C ATOM 864 C PRO A 61 14.289 -0.857 10.776 1.00 0.00 C ATOM 865 O PRO A 61 14.292 0.065 11.590 1.00 0.00 O ATOM 866 CB PRO A 61 14.549 0.737 8.812 1.00 0.00 C ATOM 867 CG PRO A 61 13.366 1.690 8.754 1.00 0.00 C ATOM 868 CD PRO A 61 12.095 0.862 8.857 1.00 0.00 C ATOM 0 HA PRO A 61 14.456 -1.421 8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.318 1.110 9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.012 0.629 7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.418 2.413 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.378 2.257 7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.470 1.197 9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.495 0.943 7.951 1.00 0.00 H new ATOM 876 N GLY A 62 14.532 -2.124 11.078 1.00 0.00 N ATOM 877 CA GLY A 62 14.830 -2.525 12.443 1.00 0.00 C ATOM 878 C GLY A 62 13.595 -3.121 13.121 1.00 0.00 C ATOM 879 O GLY A 62 13.025 -4.097 12.635 1.00 0.00 O ATOM 0 H GLY A 62 14.529 -2.887 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.638 -3.257 12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.181 -1.663 13.011 1.00 0.00 H new ATOM 883 N SER A 63 13.217 -2.509 14.234 1.00 0.00 N ATOM 884 CA SER A 63 12.061 -2.967 14.985 1.00 0.00 C ATOM 885 C SER A 63 11.801 -2.033 16.168 1.00 0.00 C ATOM 886 O SER A 63 12.600 -1.969 17.100 1.00 0.00 O ATOM 887 CB SER A 63 12.256 -4.403 15.475 1.00 0.00 C ATOM 888 OG SER A 63 11.596 -5.348 14.637 1.00 0.00 O ATOM 0 H SER A 63 13.691 -1.699 14.634 1.00 0.00 H new ATOM 0 HA SER A 63 11.196 -2.952 14.322 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.321 -4.632 15.511 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.876 -4.493 16.493 1.00 0.00 H new ATOM 0 HG SER A 63 11.863 -5.202 13.706 1.00 0.00 H new ATOM 894 N SER A 64 10.680 -1.331 16.091 1.00 0.00 N ATOM 895 CA SER A 64 10.304 -0.402 17.144 1.00 0.00 C ATOM 896 C SER A 64 8.785 -0.225 17.168 1.00 0.00 C ATOM 897 O SER A 64 8.178 0.101 16.149 1.00 0.00 O ATOM 898 CB SER A 64 10.994 0.950 16.957 1.00 0.00 C ATOM 899 OG SER A 64 11.696 1.358 18.128 1.00 0.00 O ATOM 0 H SER A 64 10.020 -1.387 15.316 1.00 0.00 H new ATOM 0 HA SER A 64 10.629 -0.816 18.098 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.690 0.889 16.120 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.250 1.704 16.699 1.00 0.00 H new ATOM 0 HG SER A 64 12.124 2.225 17.967 1.00 0.00 H new ATOM 905 N GLY A 65 8.214 -0.447 18.342 1.00 0.00 N ATOM 906 CA GLY A 65 6.777 -0.316 18.512 1.00 0.00 C ATOM 907 C GLY A 65 6.187 -1.561 19.178 1.00 0.00 C ATOM 908 O GLY A 65 6.786 -2.635 19.136 1.00 0.00 O ATOM 0 H GLY A 65 8.720 -0.717 19.185 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.558 0.563 19.118 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.305 -0.160 17.542 1.00 0.00 H new ATOM 912 N PRO A 66 4.989 -1.372 19.793 1.00 0.00 N ATOM 913 CA PRO A 66 4.312 -2.467 20.466 1.00 0.00 C ATOM 914 C PRO A 66 3.680 -3.426 19.455 1.00 0.00 C ATOM 915 O PRO A 66 2.496 -3.311 19.141 1.00 0.00 O ATOM 916 CB PRO A 66 3.289 -1.800 21.371 1.00 0.00 C ATOM 917 CG PRO A 66 3.111 -0.390 20.831 1.00 0.00 C ATOM 918 CD PRO A 66 4.250 -0.114 19.863 1.00 0.00 C ATOM 0 HA PRO A 66 4.993 -3.089 21.047 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.345 -2.344 21.361 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.635 -1.782 22.404 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.150 -0.293 20.327 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.118 0.334 21.645 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.874 0.180 18.883 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.884 0.699 20.218 1.00 0.00 H new ATOM 926 N GLY A 67 4.498 -4.350 18.973 1.00 0.00 N ATOM 927 CA GLY A 67 4.035 -5.328 18.004 1.00 0.00 C ATOM 928 C GLY A 67 3.658 -6.643 18.689 1.00 0.00 C ATOM 929 O GLY A 67 4.519 -7.331 19.237 1.00 0.00 O ATOM 0 H GLY A 67 5.479 -4.442 19.236 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.172 -4.933 17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.815 -5.510 17.264 1.00 0.00 H new ATOM 933 N SER A 68 2.371 -6.954 18.637 1.00 0.00 N ATOM 934 CA SER A 68 1.870 -8.174 19.246 1.00 0.00 C ATOM 935 C SER A 68 2.241 -9.381 18.381 1.00 0.00 C ATOM 936 O SER A 68 1.563 -9.676 17.398 1.00 0.00 O ATOM 937 CB SER A 68 0.355 -8.109 19.445 1.00 0.00 C ATOM 938 OG SER A 68 -0.078 -8.931 20.525 1.00 0.00 O ATOM 0 H SER A 68 1.660 -6.382 18.182 1.00 0.00 H new ATOM 0 HA SER A 68 2.333 -8.282 20.227 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.058 -7.077 19.633 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.145 -8.422 18.528 1.00 0.00 H new ATOM 0 HG SER A 68 -1.051 -8.860 20.620 1.00 0.00 H new ATOM 944 N SER A 69 3.316 -10.045 18.779 1.00 0.00 N ATOM 945 CA SER A 69 3.785 -11.213 18.052 1.00 0.00 C ATOM 946 C SER A 69 2.618 -12.166 17.784 1.00 0.00 C ATOM 947 O SER A 69 1.779 -12.386 18.656 1.00 0.00 O ATOM 948 CB SER A 69 4.892 -11.934 18.823 1.00 0.00 C ATOM 949 OG SER A 69 6.102 -11.182 18.848 1.00 0.00 O ATOM 0 H SER A 69 3.876 -9.797 19.595 1.00 0.00 H new ATOM 0 HA SER A 69 4.200 -10.880 17.101 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.560 -12.121 19.844 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.078 -12.906 18.366 1.00 0.00 H new ATOM 0 HG SER A 69 6.783 -11.675 19.351 1.00 0.00 H new ATOM 955 N GLY A 70 2.602 -12.705 16.574 1.00 0.00 N ATOM 956 CA GLY A 70 1.552 -13.629 16.180 1.00 0.00 C ATOM 957 C GLY A 70 0.389 -12.887 15.517 1.00 0.00 C ATOM 958 O GLY A 70 -0.607 -12.578 16.169 1.00 0.00 O ATOM 0 H GLY A 70 3.299 -12.520 15.853 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.955 -14.371 15.490 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.191 -14.170 17.055 1.00 0.00 H new ATOM 962 N PRO A 71 0.559 -12.617 14.195 1.00 0.00 N ATOM 963 CA PRO A 71 -0.464 -11.917 13.437 1.00 0.00 C ATOM 964 C PRO A 71 -1.646 -12.839 13.131 1.00 0.00 C ATOM 965 O PRO A 71 -1.753 -13.371 12.028 1.00 0.00 O ATOM 966 CB PRO A 71 0.243 -11.423 12.185 1.00 0.00 C ATOM 967 CG PRO A 71 1.509 -12.255 12.066 1.00 0.00 C ATOM 968 CD PRO A 71 1.726 -12.968 13.391 1.00 0.00 C ATOM 0 HA PRO A 71 -0.899 -11.083 13.988 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.389 -11.546 11.305 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.479 -10.362 12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.416 -12.977 11.255 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.363 -11.619 11.831 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.802 -14.047 13.253 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.649 -12.642 13.870 1.00 0.00 H new ATOM 976 N SER A 72 -2.504 -12.999 14.128 1.00 0.00 N ATOM 977 CA SER A 72 -3.674 -13.848 13.980 1.00 0.00 C ATOM 978 C SER A 72 -4.857 -13.245 14.740 1.00 0.00 C ATOM 979 O SER A 72 -4.770 -13.009 15.944 1.00 0.00 O ATOM 980 CB SER A 72 -3.392 -15.267 14.476 1.00 0.00 C ATOM 981 OG SER A 72 -3.167 -16.174 13.401 1.00 0.00 O ATOM 0 H SER A 72 -2.412 -12.555 15.042 1.00 0.00 H new ATOM 0 HA SER A 72 -3.922 -13.906 12.920 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.520 -15.256 15.129 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.234 -15.616 15.074 1.00 0.00 H new ATOM 0 HG SER A 72 -2.989 -17.069 13.760 1.00 0.00 H new ATOM 987 N SER A 73 -5.935 -13.013 14.005 1.00 0.00 N ATOM 988 CA SER A 73 -7.134 -12.442 14.595 1.00 0.00 C ATOM 989 C SER A 73 -8.365 -12.866 13.792 1.00 0.00 C ATOM 990 O SER A 73 -8.565 -12.409 12.668 1.00 0.00 O ATOM 991 CB SER A 73 -7.043 -10.916 14.661 1.00 0.00 C ATOM 992 OG SER A 73 -6.844 -10.450 15.993 1.00 0.00 O ATOM 0 H SER A 73 -6.003 -13.210 13.007 1.00 0.00 H new ATOM 0 HA SER A 73 -7.226 -12.818 15.614 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.222 -10.574 14.031 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.957 -10.481 14.257 1.00 0.00 H new ATOM 0 HG SER A 73 -6.789 -9.472 15.993 1.00 0.00 H new ATOM 998 N GLY A 74 -9.158 -13.735 14.400 1.00 0.00 N ATOM 999 CA GLY A 74 -10.365 -14.226 13.756 1.00 0.00 C ATOM 1000 C GLY A 74 -10.040 -15.343 12.762 1.00 0.00 C ATOM 1001 O GLY A 74 -10.884 -16.192 12.479 1.00 0.00 O ATOM 0 H GLY A 74 -8.989 -14.112 15.332 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.059 -14.596 14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.864 -13.407 13.238 1.00 0.00 H new TER 1005 GLY A 74