USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 883 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 57 GLN :FLIP amide:sc= 1.23 F(o=0.71,f=1.7) USER MOD Set 1.2: A 90 SER OG : rot -4:sc= 0.504! USER MOD Set 2.1: A 89 ASN : amide:sc= -2.64! C(o=-5.3!,f=-4.8!) USER MOD Set 2.2: A 94 TYR OH : rot 30:sc= -2.63! USER MOD Set 3.1: A 34 ASN : amide:sc= -0.24 X(o=-0.3,f=-0.32) USER MOD Set 3.2: A 36 GLN : amide:sc= -0.0629 K(o=-0.3,f=-1) 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0349 F(o=-0.62,f=-0.035) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -0.0159 (180deg=-0.609) USER MOD Single : A 31 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.31) USER MOD Single : A 35 MET CE :methyl 162:sc= -0.0745 (180deg=-0.184) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0972) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.522 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0765) USER MOD Single : A 44 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.4) USER MOD Single : A 46 GLN : amide:sc= -3.35 K(o=-3.4,f=-15!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 94:sc= 0.273 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.454 X(o=-0.45,f=0.029) USER MOD Single : A 69 THR OG1 : rot -25:sc= -0.142 USER MOD Single : A 71 MET CE :methyl -136:sc= 0 (180deg=-1.41) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -3.44! C(o=-3.4!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -1.89! (180deg=-2.73!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -39:sc= -0.697 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -4.52! C(o=-4.5!,f=-11!) USER MOD Single : A 96 MET CE :methyl 167:sc= -0.0844 (180deg=-0.291) USER MOD Single : A 98 SER OG : rot 180:sc= -1.26 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0554 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.488 27.985 -4.232 1.00 0.00 N ATOM 2 CA GLY A 1 -11.022 28.696 -3.056 1.00 0.00 C ATOM 3 C GLY A 1 -11.825 28.355 -1.816 1.00 0.00 C ATOM 4 O GLY A 1 -13.048 28.494 -1.803 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.907 28.252 -5.052 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.410 26.960 -4.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.481 28.232 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.973 28.457 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.079 29.769 -3.238 1.00 0.00 H new ATOM 8 N SER A 2 -11.136 27.905 -0.772 1.00 0.00 N ATOM 9 CA SER A 2 -11.794 27.538 0.476 1.00 0.00 C ATOM 10 C SER A 2 -10.774 27.375 1.600 1.00 0.00 C ATOM 11 O SER A 2 -9.756 26.703 1.436 1.00 0.00 O ATOM 12 CB SER A 2 -12.584 26.240 0.298 1.00 0.00 C ATOM 13 OG SER A 2 -13.631 26.146 1.249 1.00 0.00 O ATOM 0 H SER A 2 -10.123 27.786 -0.766 1.00 0.00 H new ATOM 0 HA SER A 2 -12.482 28.340 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.998 26.198 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.915 25.386 0.403 1.00 0.00 H new ATOM 0 HG SER A 2 -14.122 25.309 1.113 1.00 0.00 H new ATOM 19 N SER A 3 -11.057 27.995 2.741 1.00 0.00 N ATOM 20 CA SER A 3 -10.164 27.923 3.891 1.00 0.00 C ATOM 21 C SER A 3 -10.892 27.365 5.110 1.00 0.00 C ATOM 22 O SER A 3 -12.121 27.318 5.146 1.00 0.00 O ATOM 23 CB SER A 3 -9.597 29.308 4.211 1.00 0.00 C ATOM 24 OG SER A 3 -8.330 29.208 4.838 1.00 0.00 O ATOM 0 H SER A 3 -11.897 28.553 2.894 1.00 0.00 H new ATOM 0 HA SER A 3 -9.343 27.251 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.507 29.889 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.287 29.845 4.862 1.00 0.00 H new ATOM 0 HG SER A 3 -7.988 30.106 5.031 1.00 0.00 H new ATOM 30 N GLY A 4 -10.123 26.943 6.109 1.00 0.00 N ATOM 31 CA GLY A 4 -10.711 26.394 7.317 1.00 0.00 C ATOM 32 C GLY A 4 -10.033 25.112 7.761 1.00 0.00 C ATOM 33 O GLY A 4 -10.700 24.135 8.101 1.00 0.00 O ATOM 0 H GLY A 4 -9.103 26.971 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.646 27.132 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.770 26.201 7.147 1.00 0.00 H new ATOM 37 N SER A 5 -8.704 25.115 7.756 1.00 0.00 N ATOM 38 CA SER A 5 -7.936 23.942 8.156 1.00 0.00 C ATOM 39 C SER A 5 -7.900 23.808 9.675 1.00 0.00 C ATOM 40 O SER A 5 -7.430 24.704 10.377 1.00 0.00 O ATOM 41 CB SER A 5 -6.510 24.028 7.606 1.00 0.00 C ATOM 42 OG SER A 5 -6.513 24.091 6.190 1.00 0.00 O ATOM 0 H SER A 5 -8.137 25.916 7.479 1.00 0.00 H new ATOM 0 HA SER A 5 -8.425 23.060 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.013 24.909 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.937 23.160 7.933 1.00 0.00 H new ATOM 0 HG SER A 5 -5.591 24.147 5.863 1.00 0.00 H new ATOM 48 N SER A 6 -8.400 22.683 10.176 1.00 0.00 N ATOM 49 CA SER A 6 -8.429 22.432 11.612 1.00 0.00 C ATOM 50 C SER A 6 -7.948 21.019 11.926 1.00 0.00 C ATOM 51 O SER A 6 -7.932 20.149 11.057 1.00 0.00 O ATOM 52 CB SER A 6 -9.844 22.635 12.158 1.00 0.00 C ATOM 53 OG SER A 6 -9.843 22.676 13.574 1.00 0.00 O ATOM 0 H SER A 6 -8.791 21.931 9.609 1.00 0.00 H new ATOM 0 HA SER A 6 -7.756 23.141 12.094 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.259 23.563 11.764 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.489 21.826 11.815 1.00 0.00 H new ATOM 0 HG SER A 6 -10.758 22.808 13.898 1.00 0.00 H new ATOM 59 N GLY A 7 -7.556 20.799 13.178 1.00 0.00 N ATOM 60 CA GLY A 7 -7.079 19.490 13.586 1.00 0.00 C ATOM 61 C GLY A 7 -8.210 18.547 13.944 1.00 0.00 C ATOM 62 O GLY A 7 -8.380 18.181 15.107 1.00 0.00 O ATOM 0 H GLY A 7 -7.560 21.503 13.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.488 19.055 12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.416 19.599 14.444 1.00 0.00 H new ATOM 66 N THR A 8 -8.989 18.152 12.941 1.00 0.00 N ATOM 67 CA THR A 8 -10.112 17.248 13.156 1.00 0.00 C ATOM 68 C THR A 8 -10.345 16.362 11.938 1.00 0.00 C ATOM 69 O THR A 8 -10.474 16.854 10.817 1.00 0.00 O ATOM 70 CB THR A 8 -11.406 18.023 13.468 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.345 19.331 12.889 1.00 0.00 O ATOM 72 CG2 THR A 8 -11.619 18.137 14.970 1.00 0.00 C ATOM 0 H THR A 8 -8.862 18.444 11.972 1.00 0.00 H new ATOM 0 HA THR A 8 -9.856 16.624 14.012 1.00 0.00 H new ATOM 0 HB THR A 8 -12.245 17.475 13.039 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.172 19.817 13.090 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.539 18.688 15.166 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.694 17.140 15.404 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.777 18.665 15.418 1.00 0.00 H new ATOM 80 N GLU A 9 -10.400 15.053 12.165 1.00 0.00 N ATOM 81 CA GLU A 9 -10.618 14.099 11.084 1.00 0.00 C ATOM 82 C GLU A 9 -11.966 13.401 11.238 1.00 0.00 C ATOM 83 O GLU A 9 -12.101 12.215 10.939 1.00 0.00 O ATOM 84 CB GLU A 9 -9.494 13.061 11.055 1.00 0.00 C ATOM 85 CG GLU A 9 -9.380 12.253 12.336 1.00 0.00 C ATOM 86 CD GLU A 9 -10.323 11.065 12.363 1.00 0.00 C ATOM 87 OE1 GLU A 9 -10.300 10.267 11.404 1.00 0.00 O ATOM 88 OE2 GLU A 9 -11.084 10.936 13.345 1.00 0.00 O ATOM 0 H GLU A 9 -10.297 14.629 13.087 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.619 14.649 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.660 12.381 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.547 13.568 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.355 11.901 12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.591 12.899 13.188 1.00 0.00 H new ATOM 95 N ASP A 10 -12.961 14.147 11.706 1.00 0.00 N ATOM 96 CA ASP A 10 -14.299 13.601 11.900 1.00 0.00 C ATOM 97 C ASP A 10 -15.175 13.864 10.679 1.00 0.00 C ATOM 98 O ASP A 10 -15.967 13.012 10.276 1.00 0.00 O ATOM 99 CB ASP A 10 -14.945 14.208 13.147 1.00 0.00 C ATOM 100 CG ASP A 10 -16.322 13.636 13.422 1.00 0.00 C ATOM 101 OD1 ASP A 10 -16.440 12.398 13.533 1.00 0.00 O ATOM 102 OD2 ASP A 10 -17.282 14.428 13.527 1.00 0.00 O ATOM 0 H ASP A 10 -12.866 15.131 11.958 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.209 12.523 12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.302 14.030 14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.021 15.288 13.024 1.00 0.00 H new ATOM 107 N SER A 11 -15.029 15.049 10.096 1.00 0.00 N ATOM 108 CA SER A 11 -15.810 15.426 8.924 1.00 0.00 C ATOM 109 C SER A 11 -15.001 15.232 7.646 1.00 0.00 C ATOM 110 O SER A 11 -15.050 16.058 6.734 1.00 0.00 O ATOM 111 CB SER A 11 -16.266 16.883 9.036 1.00 0.00 C ATOM 112 OG SER A 11 -17.023 17.091 10.215 1.00 0.00 O ATOM 0 H SER A 11 -14.377 15.765 10.416 1.00 0.00 H new ATOM 0 HA SER A 11 -16.687 14.780 8.880 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.397 17.540 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.864 17.148 8.164 1.00 0.00 H new ATOM 0 HG SER A 11 -17.301 18.029 10.264 1.00 0.00 H new ATOM 118 N LEU A 12 -14.255 14.134 7.587 1.00 0.00 N ATOM 119 CA LEU A 12 -13.434 13.828 6.421 1.00 0.00 C ATOM 120 C LEU A 12 -14.285 13.764 5.157 1.00 0.00 C ATOM 121 O LEU A 12 -15.293 13.060 5.111 1.00 0.00 O ATOM 122 CB LEU A 12 -12.700 12.501 6.623 1.00 0.00 C ATOM 123 CG LEU A 12 -11.480 12.542 7.544 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.062 11.134 7.938 1.00 0.00 C ATOM 125 CD2 LEU A 12 -10.328 13.274 6.871 1.00 0.00 C ATOM 0 H LEU A 12 -14.202 13.441 8.333 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.702 14.627 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.408 11.775 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.382 12.133 5.648 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.750 13.086 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.192 11.183 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.883 10.643 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.810 10.565 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.468 13.293 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.058 12.758 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.631 14.295 6.640 1.00 0.00 H new ATOM 137 N MET A 13 -13.871 14.503 4.133 1.00 0.00 N ATOM 138 CA MET A 13 -14.594 14.528 2.867 1.00 0.00 C ATOM 139 C MET A 13 -14.981 13.117 2.434 1.00 0.00 C ATOM 140 O MET A 13 -14.320 12.135 2.774 1.00 0.00 O ATOM 141 CB MET A 13 -13.744 15.191 1.782 1.00 0.00 C ATOM 142 CG MET A 13 -14.077 16.658 1.561 1.00 0.00 C ATOM 143 SD MET A 13 -13.129 17.754 2.635 1.00 0.00 S ATOM 144 CE MET A 13 -14.447 18.631 3.471 1.00 0.00 C ATOM 0 H MET A 13 -13.039 15.092 4.155 1.00 0.00 H new ATOM 0 HA MET A 13 -15.505 15.109 3.010 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.692 15.102 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.880 14.651 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.883 16.918 0.520 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.141 16.815 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.020 19.348 4.172 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.055 19.159 2.737 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.070 17.920 4.014 1.00 0.00 H new ATOM 154 N PRO A 14 -16.076 13.011 1.667 1.00 0.00 N ATOM 155 CA PRO A 14 -16.575 11.724 1.172 1.00 0.00 C ATOM 156 C PRO A 14 -15.657 11.115 0.117 1.00 0.00 C ATOM 157 O PRO A 14 -14.499 11.508 -0.012 1.00 0.00 O ATOM 158 CB PRO A 14 -17.931 12.082 0.559 1.00 0.00 C ATOM 159 CG PRO A 14 -17.814 13.521 0.191 1.00 0.00 C ATOM 160 CD PRO A 14 -16.912 14.139 1.224 1.00 0.00 C ATOM 0 HA PRO A 14 -16.634 10.977 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.145 11.466 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.742 11.920 1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.398 13.636 -0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.791 14.004 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.310 14.944 0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.481 14.566 2.050 1.00 0.00 H new ATOM 168 N GLU A 15 -16.184 10.153 -0.634 1.00 0.00 N ATOM 169 CA GLU A 15 -15.411 9.489 -1.677 1.00 0.00 C ATOM 170 C GLU A 15 -15.870 9.937 -3.062 1.00 0.00 C ATOM 171 O GLU A 15 -15.051 10.203 -3.942 1.00 0.00 O ATOM 172 CB GLU A 15 -15.542 7.970 -1.551 1.00 0.00 C ATOM 173 CG GLU A 15 -14.572 7.200 -2.433 1.00 0.00 C ATOM 174 CD GLU A 15 -14.942 5.736 -2.567 1.00 0.00 C ATOM 175 OE1 GLU A 15 -16.140 5.444 -2.769 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.036 4.883 -2.471 1.00 0.00 O ATOM 0 H GLU A 15 -17.142 9.816 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.365 9.768 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.380 7.685 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.561 7.679 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.546 7.656 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.567 7.280 -2.018 1.00 0.00 H new ATOM 183 N GLU A 16 -17.184 10.017 -3.247 1.00 0.00 N ATOM 184 CA GLU A 16 -17.751 10.431 -4.525 1.00 0.00 C ATOM 185 C GLU A 16 -17.239 11.812 -4.926 1.00 0.00 C ATOM 186 O GLU A 16 -16.494 11.951 -5.895 1.00 0.00 O ATOM 187 CB GLU A 16 -19.279 10.444 -4.450 1.00 0.00 C ATOM 188 CG GLU A 16 -19.898 9.057 -4.418 1.00 0.00 C ATOM 189 CD GLU A 16 -19.251 8.106 -5.406 1.00 0.00 C ATOM 190 OE1 GLU A 16 -19.467 8.277 -6.624 1.00 0.00 O ATOM 191 OE2 GLU A 16 -18.528 7.190 -4.960 1.00 0.00 O ATOM 0 H GLU A 16 -17.875 9.801 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.437 9.712 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.586 10.990 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.672 10.988 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.808 8.646 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.963 9.133 -4.637 1.00 0.00 H new ATOM 198 N GLU A 17 -17.645 12.829 -4.173 1.00 0.00 N ATOM 199 CA GLU A 17 -17.229 14.198 -4.450 1.00 0.00 C ATOM 200 C GLU A 17 -15.707 14.310 -4.473 1.00 0.00 C ATOM 201 O GLU A 17 -15.137 15.004 -5.315 1.00 0.00 O ATOM 202 CB GLU A 17 -17.806 15.153 -3.402 1.00 0.00 C ATOM 203 CG GLU A 17 -19.258 15.524 -3.651 1.00 0.00 C ATOM 204 CD GLU A 17 -20.199 14.348 -3.475 1.00 0.00 C ATOM 205 OE1 GLU A 17 -20.614 14.086 -2.326 1.00 0.00 O ATOM 206 OE2 GLU A 17 -20.521 13.690 -4.486 1.00 0.00 O ATOM 0 H GLU A 17 -18.262 12.730 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.612 14.475 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.721 14.693 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.206 16.063 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.548 16.322 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.360 15.918 -4.662 1.00 0.00 H new ATOM 213 N PHE A 18 -15.055 13.622 -3.542 1.00 0.00 N ATOM 214 CA PHE A 18 -13.600 13.645 -3.453 1.00 0.00 C ATOM 215 C PHE A 18 -12.968 13.503 -4.835 1.00 0.00 C ATOM 216 O PHE A 18 -12.217 14.372 -5.279 1.00 0.00 O ATOM 217 CB PHE A 18 -13.106 12.524 -2.537 1.00 0.00 C ATOM 218 CG PHE A 18 -11.710 12.065 -2.849 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.617 12.839 -2.494 1.00 0.00 C ATOM 220 CD2 PHE A 18 -11.491 10.860 -3.497 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.332 12.420 -2.781 1.00 0.00 C ATOM 222 CE2 PHE A 18 -10.208 10.436 -3.787 1.00 0.00 C ATOM 223 CZ PHE A 18 -9.127 11.216 -3.427 1.00 0.00 C ATOM 0 H PHE A 18 -15.511 13.041 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.302 14.606 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.144 12.867 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.785 11.675 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.771 13.780 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.333 10.245 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.488 13.033 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.051 9.496 -4.295 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.123 10.886 -3.650 1.00 0.00 H new ATOM 233 N LEU A 19 -13.279 12.402 -5.510 1.00 0.00 N ATOM 234 CA LEU A 19 -12.742 12.145 -6.842 1.00 0.00 C ATOM 235 C LEU A 19 -12.920 13.361 -7.745 1.00 0.00 C ATOM 236 O LEU A 19 -12.049 13.677 -8.555 1.00 0.00 O ATOM 237 CB LEU A 19 -13.431 10.928 -7.464 1.00 0.00 C ATOM 238 CG LEU A 19 -13.354 9.630 -6.660 1.00 0.00 C ATOM 239 CD1 LEU A 19 -14.173 8.538 -7.331 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.907 9.189 -6.497 1.00 0.00 C ATOM 0 H LEU A 19 -13.900 11.673 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.676 11.942 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.481 11.172 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.993 10.750 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.771 9.813 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.107 7.621 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.215 8.852 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.785 8.357 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.871 8.264 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.464 9.024 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.347 9.964 -5.973 1.00 0.00 H new ATOM 252 N ARG A 20 -14.053 14.040 -7.599 1.00 0.00 N ATOM 253 CA ARG A 20 -14.345 15.222 -8.401 1.00 0.00 C ATOM 254 C ARG A 20 -13.392 16.363 -8.053 1.00 0.00 C ATOM 255 O ARG A 20 -13.135 17.242 -8.876 1.00 0.00 O ATOM 256 CB ARG A 20 -15.792 15.668 -8.183 1.00 0.00 C ATOM 257 CG ARG A 20 -16.817 14.605 -8.542 1.00 0.00 C ATOM 258 CD ARG A 20 -18.234 15.083 -8.270 1.00 0.00 C ATOM 259 NE ARG A 20 -18.505 16.375 -8.897 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.898 16.512 -10.158 1.00 0.00 C ATOM 261 NH1 ARG A 20 -19.066 15.442 -10.924 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.125 17.720 -10.656 1.00 0.00 N ATOM 0 H ARG A 20 -14.784 13.792 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.207 14.962 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.923 15.949 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.982 16.560 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.716 14.342 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.621 13.700 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.944 14.344 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.390 15.162 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.386 17.218 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.893 14.511 -10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.368 15.550 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.998 18.545 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.427 17.824 -11.625 1.00 0.00 H new ATOM 276 N ARG A 21 -12.873 16.342 -6.830 1.00 0.00 N ATOM 277 CA ARG A 21 -11.951 17.374 -6.374 1.00 0.00 C ATOM 278 C ARG A 21 -10.503 16.941 -6.582 1.00 0.00 C ATOM 279 O ARG A 21 -9.810 17.456 -7.459 1.00 0.00 O ATOM 280 CB ARG A 21 -12.193 17.688 -4.896 1.00 0.00 C ATOM 281 CG ARG A 21 -13.203 18.800 -4.667 1.00 0.00 C ATOM 282 CD ARG A 21 -12.538 20.168 -4.685 1.00 0.00 C ATOM 283 NE ARG A 21 -11.533 20.302 -3.633 1.00 0.00 N ATOM 284 CZ ARG A 21 -10.536 21.178 -3.677 1.00 0.00 C ATOM 285 NH1 ARG A 21 -10.412 21.995 -4.714 1.00 0.00 N ATOM 286 NH2 ARG A 21 -9.661 21.240 -2.681 1.00 0.00 N ATOM 0 H ARG A 21 -13.076 15.621 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.132 18.273 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.539 16.785 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.247 17.967 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.973 18.758 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.702 18.649 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.070 20.331 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.296 20.941 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.601 19.689 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.083 21.952 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.645 22.667 -4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.754 20.614 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.896 21.913 -2.716 1.00 0.00 H new ATOM 300 N ASN A 22 -10.052 15.991 -5.769 1.00 0.00 N ATOM 301 CA ASN A 22 -8.686 15.489 -5.863 1.00 0.00 C ATOM 302 C ASN A 22 -8.662 14.085 -6.460 1.00 0.00 C ATOM 303 O ASN A 22 -9.397 13.200 -6.023 1.00 0.00 O ATOM 304 CB ASN A 22 -8.028 15.479 -4.482 1.00 0.00 C ATOM 305 CG ASN A 22 -8.329 16.736 -3.689 1.00 0.00 C ATOM 306 OD1 ASN A 22 -9.496 16.770 -3.056 1.00 0.00 O flip ATOM 307 ND2 ASN A 22 -7.522 17.665 -3.646 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.613 15.553 -5.038 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.126 16.154 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.374 14.609 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.949 15.375 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.637 17.595 -4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.739 18.504 -3.108 1.00 0.00 H new ATOM 314 N LYS A 23 -7.812 13.889 -7.462 1.00 0.00 N ATOM 315 CA LYS A 23 -7.690 12.593 -8.120 1.00 0.00 C ATOM 316 C LYS A 23 -6.245 12.103 -8.092 1.00 0.00 C ATOM 317 O LYS A 23 -5.988 10.900 -8.086 1.00 0.00 O ATOM 318 CB LYS A 23 -8.182 12.683 -9.566 1.00 0.00 C ATOM 319 CG LYS A 23 -7.360 13.623 -10.430 1.00 0.00 C ATOM 320 CD LYS A 23 -7.906 15.040 -10.389 1.00 0.00 C ATOM 321 CE LYS A 23 -6.821 16.065 -10.683 1.00 0.00 C ATOM 322 NZ LYS A 23 -6.595 16.229 -12.145 1.00 0.00 N ATOM 0 H LYS A 23 -7.197 14.611 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.308 11.878 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.165 11.687 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.220 13.015 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.325 13.621 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.357 13.263 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.711 15.142 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.337 15.237 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.101 17.025 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.891 15.757 -10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.849 16.936 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.303 15.319 -12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.475 16.547 -12.599 1.00 0.00 H new ATOM 336 N GLY A 24 -5.306 13.044 -8.074 1.00 0.00 N ATOM 337 CA GLY A 24 -3.900 12.688 -8.046 1.00 0.00 C ATOM 338 C GLY A 24 -3.188 13.034 -9.340 1.00 0.00 C ATOM 339 O GLY A 24 -3.629 13.891 -10.106 1.00 0.00 O ATOM 0 H GLY A 24 -5.494 14.046 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.414 13.204 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.803 11.619 -7.856 1.00 0.00 H new ATOM 343 N PRO A 25 -2.059 12.357 -9.597 1.00 0.00 N ATOM 344 CA PRO A 25 -1.525 11.335 -8.692 1.00 0.00 C ATOM 345 C PRO A 25 -0.987 11.932 -7.396 1.00 0.00 C ATOM 346 O PRO A 25 -0.901 13.152 -7.251 1.00 0.00 O ATOM 347 CB PRO A 25 -0.389 10.704 -9.501 1.00 0.00 C ATOM 348 CG PRO A 25 0.030 11.766 -10.459 1.00 0.00 C ATOM 349 CD PRO A 25 -1.217 12.538 -10.791 1.00 0.00 C ATOM 0 HA PRO A 25 -2.292 10.625 -8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.437 10.404 -8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.726 9.809 -10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.785 12.416 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.470 11.331 -11.356 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.001 13.591 -10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.702 12.151 -11.687 1.00 0.00 H new ATOM 357 N VAL A 26 -0.626 11.065 -6.455 1.00 0.00 N ATOM 358 CA VAL A 26 -0.095 11.507 -5.171 1.00 0.00 C ATOM 359 C VAL A 26 1.162 10.730 -4.800 1.00 0.00 C ATOM 360 O VAL A 26 1.250 9.524 -5.033 1.00 0.00 O ATOM 361 CB VAL A 26 -1.137 11.346 -4.048 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.365 12.198 -4.332 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.519 9.883 -3.883 1.00 0.00 C ATOM 0 H VAL A 26 -0.692 10.052 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 26 0.153 12.563 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.695 11.690 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.090 12.071 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.074 13.246 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.813 11.888 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.256 9.787 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.943 9.510 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.632 9.302 -3.629 1.00 0.00 H new ATOM 373 N SER A 27 2.133 11.428 -4.219 1.00 0.00 N ATOM 374 CA SER A 27 3.388 10.803 -3.817 1.00 0.00 C ATOM 375 C SER A 27 3.520 10.779 -2.298 1.00 0.00 C ATOM 376 O SER A 27 3.520 11.824 -1.647 1.00 0.00 O ATOM 377 CB SER A 27 4.573 11.550 -4.432 1.00 0.00 C ATOM 378 OG SER A 27 5.793 11.153 -3.830 1.00 0.00 O ATOM 0 H SER A 27 2.075 12.426 -4.016 1.00 0.00 H new ATOM 0 HA SER A 27 3.387 9.775 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.613 11.356 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.435 12.624 -4.307 1.00 0.00 H new ATOM 0 HG SER A 27 6.535 11.643 -4.241 1.00 0.00 H new ATOM 384 N ILE A 28 3.633 9.578 -1.739 1.00 0.00 N ATOM 385 CA ILE A 28 3.767 9.417 -0.297 1.00 0.00 C ATOM 386 C ILE A 28 5.170 8.953 0.076 1.00 0.00 C ATOM 387 O ILE A 28 5.947 8.535 -0.783 1.00 0.00 O ATOM 388 CB ILE A 28 2.741 8.408 0.254 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.973 7.025 -0.358 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.325 8.887 -0.026 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.575 5.886 0.554 1.00 0.00 C ATOM 0 H ILE A 28 3.634 8.703 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 28 3.580 10.394 0.149 1.00 0.00 H new ATOM 0 HB ILE A 28 2.871 8.332 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.409 6.949 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.027 6.923 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.611 8.164 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.166 9.853 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.181 8.988 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.767 4.936 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.157 5.937 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.514 5.963 0.791 1.00 0.00 H new ATOM 403 N LYS A 29 5.490 9.027 1.364 1.00 0.00 N ATOM 404 CA LYS A 29 6.799 8.612 1.854 1.00 0.00 C ATOM 405 C LYS A 29 6.660 7.656 3.034 1.00 0.00 C ATOM 406 O LYS A 29 6.096 8.010 4.069 1.00 0.00 O ATOM 407 CB LYS A 29 7.622 9.834 2.267 1.00 0.00 C ATOM 408 CG LYS A 29 9.120 9.641 2.107 1.00 0.00 C ATOM 409 CD LYS A 29 9.899 10.801 2.704 1.00 0.00 C ATOM 410 CE LYS A 29 10.136 11.899 1.678 1.00 0.00 C ATOM 411 NZ LYS A 29 11.134 11.493 0.651 1.00 0.00 N ATOM 0 H LYS A 29 4.859 9.371 2.088 1.00 0.00 H new ATOM 0 HA LYS A 29 7.314 8.091 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.309 10.691 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.404 10.073 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.422 8.712 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.364 9.544 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.353 11.208 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.856 10.442 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.194 12.149 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.482 12.800 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.855 12.236 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.590 10.605 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.656 11.354 -0.262 1.00 0.00 H new ATOM 425 N VAL A 30 7.180 6.444 2.872 1.00 0.00 N ATOM 426 CA VAL A 30 7.117 5.437 3.925 1.00 0.00 C ATOM 427 C VAL A 30 8.353 5.495 4.815 1.00 0.00 C ATOM 428 O VAL A 30 9.445 5.105 4.402 1.00 0.00 O ATOM 429 CB VAL A 30 6.985 4.019 3.339 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.029 2.977 4.446 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.703 3.894 2.529 1.00 0.00 C ATOM 0 H VAL A 30 7.650 6.135 2.021 1.00 0.00 H new ATOM 0 HA VAL A 30 6.232 5.658 4.522 1.00 0.00 H new ATOM 0 HB VAL A 30 7.828 3.841 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.934 1.981 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.977 3.052 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.207 3.150 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.626 2.886 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.846 4.092 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.718 4.615 1.711 1.00 0.00 H new ATOM 441 N GLN A 31 8.173 5.983 6.038 1.00 0.00 N ATOM 442 CA GLN A 31 9.274 6.091 6.987 1.00 0.00 C ATOM 443 C GLN A 31 9.623 4.728 7.575 1.00 0.00 C ATOM 444 O GLN A 31 8.932 4.228 8.463 1.00 0.00 O ATOM 445 CB GLN A 31 8.915 7.067 8.109 1.00 0.00 C ATOM 446 CG GLN A 31 10.123 7.740 8.740 1.00 0.00 C ATOM 447 CD GLN A 31 10.796 8.726 7.806 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.136 9.558 7.183 1.00 0.00 O ATOM 449 NE2 GLN A 31 12.117 8.637 7.704 1.00 0.00 N ATOM 0 H GLN A 31 7.275 6.310 6.395 1.00 0.00 H new ATOM 0 HA GLN A 31 10.145 6.469 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.248 7.833 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.363 6.532 8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.813 8.259 9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.843 6.979 9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.623 7.932 8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.625 9.274 7.090 1.00 0.00 H new ATOM 458 N VAL A 32 10.699 4.130 7.073 1.00 0.00 N ATOM 459 CA VAL A 32 11.139 2.824 7.549 1.00 0.00 C ATOM 460 C VAL A 32 12.138 2.964 8.692 1.00 0.00 C ATOM 461 O VAL A 32 13.254 3.456 8.518 1.00 0.00 O ATOM 462 CB VAL A 32 11.784 2.002 6.416 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.199 0.629 6.922 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.829 1.879 5.238 1.00 0.00 C ATOM 0 H VAL A 32 11.282 4.529 6.337 1.00 0.00 H new ATOM 0 HA VAL A 32 10.252 2.302 7.907 1.00 0.00 H new ATOM 0 HB VAL A 32 12.679 2.523 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.652 0.063 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.920 0.742 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.322 0.096 7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.300 1.296 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.915 1.381 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.587 2.873 4.861 1.00 0.00 H new ATOM 474 N PRO A 33 11.731 2.522 9.891 1.00 0.00 N ATOM 475 CA PRO A 33 12.576 2.586 11.087 1.00 0.00 C ATOM 476 C PRO A 33 13.751 1.617 11.020 1.00 0.00 C ATOM 477 O PRO A 33 13.905 0.881 10.046 1.00 0.00 O ATOM 478 CB PRO A 33 11.621 2.192 12.217 1.00 0.00 C ATOM 479 CG PRO A 33 10.574 1.363 11.556 1.00 0.00 C ATOM 480 CD PRO A 33 10.414 1.925 10.171 1.00 0.00 C ATOM 0 HA PRO A 33 13.027 3.570 11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.138 1.630 12.995 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.187 3.071 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.871 0.315 11.520 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.634 1.409 12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.163 1.148 9.449 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.618 2.669 10.129 1.00 0.00 H new ATOM 488 N ASN A 34 14.577 1.623 12.061 1.00 0.00 N ATOM 489 CA ASN A 34 15.739 0.743 12.119 1.00 0.00 C ATOM 490 C ASN A 34 15.542 -0.350 13.165 1.00 0.00 C ATOM 491 O ASN A 34 15.639 -0.099 14.366 1.00 0.00 O ATOM 492 CB ASN A 34 16.999 1.549 12.439 1.00 0.00 C ATOM 493 CG ASN A 34 18.032 0.733 13.192 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.337 1.014 14.351 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.576 -0.284 12.534 1.00 0.00 N ATOM 0 H ASN A 34 14.464 2.227 12.875 1.00 0.00 H new ATOM 0 HA ASN A 34 15.855 0.271 11.143 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.437 1.917 11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.727 2.422 13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.277 -0.869 12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.293 -0.480 11.574 1.00 0.00 H new ATOM 502 N MET A 35 15.265 -1.564 12.699 1.00 0.00 N ATOM 503 CA MET A 35 15.056 -2.696 13.594 1.00 0.00 C ATOM 504 C MET A 35 16.344 -3.494 13.771 1.00 0.00 C ATOM 505 O MET A 35 16.719 -4.284 12.904 1.00 0.00 O ATOM 506 CB MET A 35 13.950 -3.604 13.053 1.00 0.00 C ATOM 507 CG MET A 35 12.551 -3.153 13.440 1.00 0.00 C ATOM 508 SD MET A 35 12.323 -3.051 15.226 1.00 0.00 S ATOM 509 CE MET A 35 11.611 -1.415 15.383 1.00 0.00 C ATOM 0 H MET A 35 15.180 -1.789 11.708 1.00 0.00 H new ATOM 0 HA MET A 35 14.754 -2.307 14.566 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.023 -3.644 11.966 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.111 -4.618 13.420 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.352 -2.178 12.996 1.00 0.00 H new ATOM 0 HG3 MET A 35 11.821 -3.848 13.024 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.124 -1.322 16.354 1.00 0.00 H new ATOM 0 HE2 MET A 35 12.398 -0.666 15.298 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.876 -1.260 14.593 1.00 0.00 H new ATOM 519 N GLN A 36 17.016 -3.283 14.898 1.00 0.00 N ATOM 520 CA GLN A 36 18.263 -3.982 15.186 1.00 0.00 C ATOM 521 C GLN A 36 17.995 -5.291 15.922 1.00 0.00 C ATOM 522 O GLN A 36 18.923 -6.024 16.263 1.00 0.00 O ATOM 523 CB GLN A 36 19.189 -3.095 16.019 1.00 0.00 C ATOM 524 CG GLN A 36 20.653 -3.496 15.936 1.00 0.00 C ATOM 525 CD GLN A 36 21.273 -3.166 14.592 1.00 0.00 C ATOM 526 OE1 GLN A 36 20.967 -2.136 13.990 1.00 0.00 O ATOM 527 NE2 GLN A 36 22.149 -4.041 14.113 1.00 0.00 N ATOM 0 H GLN A 36 16.718 -2.634 15.626 1.00 0.00 H new ATOM 0 HA GLN A 36 18.749 -4.212 14.238 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.085 -2.062 15.687 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.870 -3.129 17.061 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.210 -2.988 16.723 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.744 -4.566 16.121 1.00 0.00 H new ATOM 0 HE21 GLN A 36 22.373 -4.882 14.645 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.598 -3.873 13.213 1.00 0.00 H new ATOM 536 N ASP A 37 16.720 -5.577 16.164 1.00 0.00 N ATOM 537 CA ASP A 37 16.330 -6.798 16.860 1.00 0.00 C ATOM 538 C ASP A 37 16.452 -8.010 15.941 1.00 0.00 C ATOM 539 O ASP A 37 15.550 -8.845 15.873 1.00 0.00 O ATOM 540 CB ASP A 37 14.896 -6.678 17.378 1.00 0.00 C ATOM 541 CG ASP A 37 14.795 -5.789 18.602 1.00 0.00 C ATOM 542 OD1 ASP A 37 14.676 -4.558 18.432 1.00 0.00 O ATOM 543 OD2 ASP A 37 14.836 -6.324 19.730 1.00 0.00 O ATOM 0 H ASP A 37 15.940 -4.981 15.889 1.00 0.00 H new ATOM 0 HA ASP A 37 17.004 -6.936 17.706 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.260 -6.278 16.588 1.00 0.00 H new ATOM 0 HB3 ASP A 37 14.516 -7.670 17.621 1.00 0.00 H new ATOM 548 N LYS A 38 17.573 -8.098 15.233 1.00 0.00 N ATOM 549 CA LYS A 38 17.815 -9.207 14.318 1.00 0.00 C ATOM 550 C LYS A 38 16.515 -9.669 13.667 1.00 0.00 C ATOM 551 O LYS A 38 16.157 -10.845 13.735 1.00 0.00 O ATOM 552 CB LYS A 38 18.469 -10.375 15.060 1.00 0.00 C ATOM 553 CG LYS A 38 19.255 -11.307 14.154 1.00 0.00 C ATOM 554 CD LYS A 38 20.560 -10.674 13.700 1.00 0.00 C ATOM 555 CE LYS A 38 21.515 -11.712 13.131 1.00 0.00 C ATOM 556 NZ LYS A 38 22.112 -12.561 14.199 1.00 0.00 N ATOM 0 H LYS A 38 18.329 -7.414 15.275 1.00 0.00 H new ATOM 0 HA LYS A 38 18.489 -8.859 13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 38 19.135 -9.980 15.827 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.696 -10.947 15.573 1.00 0.00 H new ATOM 0 HG2 LYS A 38 19.465 -12.237 14.682 1.00 0.00 H new ATOM 0 HG3 LYS A 38 18.652 -11.564 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 20.354 -9.915 12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 21.032 -10.167 14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 38 20.983 -12.344 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 22.310 -11.210 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 22.911 -13.100 13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.449 -11.956 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 21.394 -13.220 14.561 1.00 0.00 H new ATOM 570 N THR A 39 15.811 -8.735 13.034 1.00 0.00 N ATOM 571 CA THR A 39 14.551 -9.046 12.371 1.00 0.00 C ATOM 572 C THR A 39 14.771 -9.371 10.898 1.00 0.00 C ATOM 573 O THR A 39 15.712 -8.877 10.278 1.00 0.00 O ATOM 574 CB THR A 39 13.554 -7.877 12.483 1.00 0.00 C ATOM 575 OG1 THR A 39 12.403 -8.136 11.671 1.00 0.00 O ATOM 576 CG2 THR A 39 14.201 -6.570 12.052 1.00 0.00 C ATOM 0 H THR A 39 16.093 -7.757 12.967 1.00 0.00 H new ATOM 0 HA THR A 39 14.135 -9.918 12.875 1.00 0.00 H new ATOM 0 HB THR A 39 13.250 -7.786 13.526 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.771 -7.392 11.753 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.477 -5.760 12.140 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.059 -6.361 12.691 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.531 -6.651 11.016 1.00 0.00 H new ATOM 584 N GLU A 40 13.897 -10.206 10.344 1.00 0.00 N ATOM 585 CA GLU A 40 13.998 -10.597 8.943 1.00 0.00 C ATOM 586 C GLU A 40 13.323 -9.567 8.041 1.00 0.00 C ATOM 587 O GLU A 40 12.848 -9.896 6.954 1.00 0.00 O ATOM 588 CB GLU A 40 13.364 -11.973 8.727 1.00 0.00 C ATOM 589 CG GLU A 40 11.896 -12.034 9.115 1.00 0.00 C ATOM 590 CD GLU A 40 11.691 -12.427 10.565 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.686 -13.642 10.856 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.537 -11.520 11.409 1.00 0.00 O ATOM 0 H GLU A 40 13.112 -10.624 10.844 1.00 0.00 H new ATOM 0 HA GLU A 40 15.055 -10.647 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.466 -12.250 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.916 -12.713 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.437 -11.062 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.384 -12.750 8.473 1.00 0.00 H new ATOM 599 N TRP A 41 13.284 -8.322 8.501 1.00 0.00 N ATOM 600 CA TRP A 41 12.667 -7.244 7.737 1.00 0.00 C ATOM 601 C TRP A 41 13.707 -6.215 7.309 1.00 0.00 C ATOM 602 O TRP A 41 14.530 -5.778 8.114 1.00 0.00 O ATOM 603 CB TRP A 41 11.572 -6.568 8.563 1.00 0.00 C ATOM 604 CG TRP A 41 10.538 -7.525 9.076 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.170 -8.713 8.513 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.739 -7.372 10.254 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.190 -9.309 9.270 1.00 0.00 N ATOM 608 CE2 TRP A 41 8.909 -8.506 10.345 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.646 -6.389 11.243 1.00 0.00 C ATOM 610 CZ2 TRP A 41 7.999 -8.681 11.383 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.742 -6.564 12.273 1.00 0.00 C ATOM 612 CH2 TRP A 41 7.928 -7.703 12.337 1.00 0.00 C ATOM 0 H TRP A 41 13.672 -8.034 9.399 1.00 0.00 H new ATOM 0 HA TRP A 41 12.222 -7.676 6.841 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.030 -6.052 9.407 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.083 -5.809 7.953 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.588 -9.124 7.606 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.744 -10.203 9.065 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.270 -5.508 11.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.371 -9.558 11.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.661 -5.810 13.042 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.231 -7.811 13.155 1.00 0.00 H new ATOM 623 N LYS A 42 13.666 -5.830 6.038 1.00 0.00 N ATOM 624 CA LYS A 42 14.604 -4.851 5.503 1.00 0.00 C ATOM 625 C LYS A 42 14.361 -3.475 6.114 1.00 0.00 C ATOM 626 O LYS A 42 13.807 -2.585 5.466 1.00 0.00 O ATOM 627 CB LYS A 42 14.480 -4.774 3.980 1.00 0.00 C ATOM 628 CG LYS A 42 15.029 -5.995 3.262 1.00 0.00 C ATOM 629 CD LYS A 42 16.507 -5.839 2.949 1.00 0.00 C ATOM 630 CE LYS A 42 16.732 -4.904 1.771 1.00 0.00 C ATOM 631 NZ LYS A 42 16.356 -5.541 0.478 1.00 0.00 N ATOM 0 H LYS A 42 12.992 -6.182 5.358 1.00 0.00 H new ATOM 0 HA LYS A 42 15.613 -5.172 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.430 -4.649 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.006 -3.888 3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.878 -6.880 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.475 -6.154 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.027 -5.453 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.938 -6.815 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.147 -3.995 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.780 -4.607 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.708 -4.961 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.776 -6.491 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.321 -5.617 0.416 1.00 0.00 H new ATOM 645 N LEU A 43 14.779 -3.305 7.364 1.00 0.00 N ATOM 646 CA LEU A 43 14.607 -2.035 8.062 1.00 0.00 C ATOM 647 C LEU A 43 15.957 -1.447 8.461 1.00 0.00 C ATOM 648 O LEU A 43 16.559 -1.864 9.449 1.00 0.00 O ATOM 649 CB LEU A 43 13.735 -2.227 9.304 1.00 0.00 C ATOM 650 CG LEU A 43 12.413 -2.965 9.088 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.815 -3.389 10.420 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.435 -2.091 8.316 1.00 0.00 C ATOM 0 H LEU A 43 15.239 -4.030 7.915 1.00 0.00 H new ATOM 0 HA LEU A 43 14.114 -1.339 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.314 -2.771 10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.516 -1.246 9.725 1.00 0.00 H new ATOM 0 HG LEU A 43 12.611 -3.861 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.875 -3.913 10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.510 -4.052 10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.631 -2.507 11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.500 -2.632 8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.242 -1.177 8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.861 -1.837 7.345 1.00 0.00 H new ATOM 664 N ASN A 44 16.425 -0.473 7.685 1.00 0.00 N ATOM 665 CA ASN A 44 17.702 0.174 7.959 1.00 0.00 C ATOM 666 C ASN A 44 17.567 1.692 7.897 1.00 0.00 C ATOM 667 O ASN A 44 18.202 2.349 7.072 1.00 0.00 O ATOM 668 CB ASN A 44 18.760 -0.296 6.958 1.00 0.00 C ATOM 669 CG ASN A 44 19.107 -1.763 7.130 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.262 -2.638 6.936 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.353 -2.038 7.495 1.00 0.00 N ATOM 0 H ASN A 44 15.939 -0.116 6.863 1.00 0.00 H new ATOM 0 HA ASN A 44 18.014 -0.105 8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.397 -0.128 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.662 0.304 7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.644 -3.007 7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 44 21.020 -1.281 7.645 1.00 0.00 H new ATOM 678 N GLY A 45 16.735 2.244 8.775 1.00 0.00 N ATOM 679 CA GLY A 45 16.532 3.680 8.804 1.00 0.00 C ATOM 680 C GLY A 45 16.597 4.303 7.424 1.00 0.00 C ATOM 681 O GLY A 45 17.657 4.755 6.990 1.00 0.00 O ATOM 0 H GLY A 45 16.198 1.722 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.563 3.898 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.288 4.138 9.442 1.00 0.00 H new ATOM 685 N GLN A 46 15.463 4.325 6.732 1.00 0.00 N ATOM 686 CA GLN A 46 15.397 4.894 5.391 1.00 0.00 C ATOM 687 C GLN A 46 13.982 5.362 5.067 1.00 0.00 C ATOM 688 O GLN A 46 13.069 5.218 5.879 1.00 0.00 O ATOM 689 CB GLN A 46 15.858 3.868 4.355 1.00 0.00 C ATOM 690 CG GLN A 46 14.808 2.818 4.030 1.00 0.00 C ATOM 691 CD GLN A 46 14.865 1.627 4.966 1.00 0.00 C ATOM 692 OE1 GLN A 46 15.422 1.709 6.061 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.287 0.510 4.539 1.00 0.00 N ATOM 0 H GLN A 46 14.577 3.955 7.077 1.00 0.00 H new ATOM 0 HA GLN A 46 16.062 5.757 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 46 16.135 4.389 3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.756 3.371 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.818 3.271 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.947 2.476 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.837 0.486 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.294 -0.324 5.126 1.00 0.00 H new ATOM 702 N GLY A 47 13.808 5.922 3.874 1.00 0.00 N ATOM 703 CA GLY A 47 12.501 6.403 3.464 1.00 0.00 C ATOM 704 C GLY A 47 12.155 6.001 2.044 1.00 0.00 C ATOM 705 O GLY A 47 12.903 6.292 1.109 1.00 0.00 O ATOM 0 H GLY A 47 14.548 6.051 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.744 6.012 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.474 7.489 3.548 1.00 0.00 H new ATOM 709 N LEU A 48 11.021 5.330 1.880 1.00 0.00 N ATOM 710 CA LEU A 48 10.577 4.886 0.563 1.00 0.00 C ATOM 711 C LEU A 48 9.557 5.856 -0.024 1.00 0.00 C ATOM 712 O LEU A 48 8.810 6.506 0.708 1.00 0.00 O ATOM 713 CB LEU A 48 9.972 3.484 0.653 1.00 0.00 C ATOM 714 CG LEU A 48 10.732 2.479 1.520 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.058 1.117 1.473 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.182 2.376 1.071 1.00 0.00 C ATOM 0 H LEU A 48 10.391 5.081 2.643 1.00 0.00 H new ATOM 0 HA LEU A 48 11.445 4.859 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.957 3.572 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.895 3.078 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 48 10.717 2.833 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.613 0.415 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.037 1.203 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.041 0.755 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.707 1.656 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.219 2.046 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.660 3.351 1.159 1.00 0.00 H new ATOM 728 N VAL A 49 9.529 5.947 -1.350 1.00 0.00 N ATOM 729 CA VAL A 49 8.598 6.835 -2.036 1.00 0.00 C ATOM 730 C VAL A 49 7.955 6.140 -3.230 1.00 0.00 C ATOM 731 O VAL A 49 8.626 5.444 -3.993 1.00 0.00 O ATOM 732 CB VAL A 49 9.299 8.118 -2.519 1.00 0.00 C ATOM 733 CG1 VAL A 49 8.321 9.012 -3.265 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.921 8.859 -1.345 1.00 0.00 C ATOM 0 H VAL A 49 10.141 5.416 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 49 7.825 7.102 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 49 10.097 7.838 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.834 9.914 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.927 8.478 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.500 9.286 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.412 9.763 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.143 9.128 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.655 8.217 -0.857 1.00 0.00 H new ATOM 744 N PHE A 50 6.649 6.333 -3.388 1.00 0.00 N ATOM 745 CA PHE A 50 5.914 5.724 -4.491 1.00 0.00 C ATOM 746 C PHE A 50 4.745 6.607 -4.918 1.00 0.00 C ATOM 747 O PHE A 50 3.804 6.824 -4.154 1.00 0.00 O ATOM 748 CB PHE A 50 5.402 4.340 -4.087 1.00 0.00 C ATOM 749 CG PHE A 50 6.380 3.557 -3.259 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.503 2.990 -3.839 1.00 0.00 C ATOM 751 CD2 PHE A 50 6.176 3.387 -1.899 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.405 2.269 -3.080 1.00 0.00 C ATOM 753 CE2 PHE A 50 7.074 2.667 -1.134 1.00 0.00 C ATOM 754 CZ PHE A 50 8.190 2.107 -1.725 1.00 0.00 C ATOM 0 H PHE A 50 6.078 6.906 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 50 6.595 5.620 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.474 4.454 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.164 3.773 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.676 3.113 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.305 3.822 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.277 1.833 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.903 2.542 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.893 1.544 -1.129 1.00 0.00 H new ATOM 764 N THR A 51 4.813 7.115 -6.145 1.00 0.00 N ATOM 765 CA THR A 51 3.762 7.975 -6.674 1.00 0.00 C ATOM 766 C THR A 51 2.601 7.153 -7.220 1.00 0.00 C ATOM 767 O THR A 51 2.734 6.468 -8.235 1.00 0.00 O ATOM 768 CB THR A 51 4.297 8.892 -7.791 1.00 0.00 C ATOM 769 OG1 THR A 51 5.474 9.574 -7.343 1.00 0.00 O ATOM 770 CG2 THR A 51 3.244 9.908 -8.207 1.00 0.00 C ATOM 0 H THR A 51 5.585 6.946 -6.790 1.00 0.00 H new ATOM 0 HA THR A 51 3.410 8.590 -5.846 1.00 0.00 H new ATOM 0 HB THR A 51 4.543 8.272 -8.653 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.809 10.153 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.644 10.544 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.360 9.386 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.972 10.522 -7.349 1.00 0.00 H new ATOM 778 N LEU A 52 1.461 7.224 -6.541 1.00 0.00 N ATOM 779 CA LEU A 52 0.274 6.486 -6.959 1.00 0.00 C ATOM 780 C LEU A 52 -0.995 7.271 -6.644 1.00 0.00 C ATOM 781 O LEU A 52 -1.133 7.874 -5.579 1.00 0.00 O ATOM 782 CB LEU A 52 0.228 5.122 -6.268 1.00 0.00 C ATOM 783 CG LEU A 52 1.517 4.301 -6.316 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.448 3.140 -5.336 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.774 3.795 -7.728 1.00 0.00 C ATOM 0 H LEU A 52 1.334 7.785 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 52 0.329 6.339 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.043 5.275 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.570 4.534 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 52 2.347 4.945 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.374 2.567 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.312 3.525 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.609 2.495 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.695 3.213 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.942 3.167 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.869 4.643 -8.407 1.00 0.00 H new ATOM 797 N PRO A 53 -1.945 7.265 -7.590 1.00 0.00 N ATOM 798 CA PRO A 53 -3.221 7.970 -7.436 1.00 0.00 C ATOM 799 C PRO A 53 -4.120 7.319 -6.390 1.00 0.00 C ATOM 800 O PRO A 53 -3.978 6.134 -6.085 1.00 0.00 O ATOM 801 CB PRO A 53 -3.855 7.865 -8.825 1.00 0.00 C ATOM 802 CG PRO A 53 -3.248 6.645 -9.427 1.00 0.00 C ATOM 803 CD PRO A 53 -1.848 6.568 -8.884 1.00 0.00 C ATOM 0 HA PRO A 53 -3.081 8.995 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.939 7.777 -8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.643 8.750 -9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.818 5.754 -9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.242 6.709 -10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.521 5.536 -8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.132 7.052 -9.548 1.00 0.00 H new ATOM 811 N LEU A 54 -5.045 8.100 -5.843 1.00 0.00 N ATOM 812 CA LEU A 54 -5.968 7.599 -4.831 1.00 0.00 C ATOM 813 C LEU A 54 -7.201 6.977 -5.478 1.00 0.00 C ATOM 814 O LEU A 54 -8.222 7.642 -5.663 1.00 0.00 O ATOM 815 CB LEU A 54 -6.388 8.731 -3.891 1.00 0.00 C ATOM 816 CG LEU A 54 -5.262 9.629 -3.377 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.775 11.040 -3.132 1.00 0.00 C ATOM 818 CD2 LEU A 54 -4.657 9.051 -2.106 1.00 0.00 C ATOM 0 H LEU A 54 -5.176 9.083 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.454 6.828 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.116 9.355 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.897 8.293 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.483 9.675 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.960 11.665 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.160 11.454 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.573 11.013 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.857 9.703 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.427 8.975 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.253 8.060 -2.313 1.00 0.00 H new ATOM 830 N THR A 55 -7.102 5.696 -5.819 1.00 0.00 N ATOM 831 CA THR A 55 -8.208 4.983 -6.445 1.00 0.00 C ATOM 832 C THR A 55 -8.531 3.698 -5.691 1.00 0.00 C ATOM 833 O THR A 55 -9.645 3.519 -5.199 1.00 0.00 O ATOM 834 CB THR A 55 -7.896 4.639 -7.914 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.556 4.148 -8.028 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.071 5.860 -8.805 1.00 0.00 C ATOM 0 H THR A 55 -6.266 5.131 -5.672 1.00 0.00 H new ATOM 0 HA THR A 55 -9.071 5.647 -6.411 1.00 0.00 H new ATOM 0 HB THR A 55 -8.594 3.868 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.561 3.169 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.845 5.593 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.100 6.214 -8.739 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.394 6.649 -8.478 1.00 0.00 H new ATOM 844 N ASP A 56 -7.549 2.807 -5.604 1.00 0.00 N ATOM 845 CA ASP A 56 -7.728 1.538 -4.908 1.00 0.00 C ATOM 846 C ASP A 56 -7.657 1.732 -3.397 1.00 0.00 C ATOM 847 O ASP A 56 -7.563 2.859 -2.911 1.00 0.00 O ATOM 848 CB ASP A 56 -6.667 0.532 -5.356 1.00 0.00 C ATOM 849 CG ASP A 56 -6.795 0.171 -6.823 1.00 0.00 C ATOM 850 OD1 ASP A 56 -6.856 1.097 -7.658 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.834 -1.038 -7.136 1.00 0.00 O ATOM 0 H ASP A 56 -6.621 2.940 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.715 1.150 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.676 0.947 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.751 -0.372 -4.754 1.00 0.00 H new ATOM 856 N GLN A 57 -7.703 0.627 -2.660 1.00 0.00 N ATOM 857 CA GLN A 57 -7.645 0.677 -1.204 1.00 0.00 C ATOM 858 C GLN A 57 -6.228 0.980 -0.726 1.00 0.00 C ATOM 859 O GLN A 57 -5.332 1.239 -1.530 1.00 0.00 O ATOM 860 CB GLN A 57 -8.125 -0.647 -0.608 1.00 0.00 C ATOM 861 CG GLN A 57 -9.546 -1.013 -1.004 1.00 0.00 C ATOM 862 CD GLN A 57 -10.573 -0.044 -0.453 1.00 0.00 C ATOM 863 OE1 GLN A 57 -10.669 0.030 0.869 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 -11.273 0.632 -1.208 1.00 0.00 N flip ATOM 0 H GLN A 57 -7.780 -0.314 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.302 1.478 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.452 -1.444 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.063 -0.590 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.621 -1.037 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.771 -2.018 -0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.166 0.543 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.960 1.280 -0.823 1.00 0.00 H new ATOM 873 N VAL A 58 -6.033 0.946 0.589 1.00 0.00 N ATOM 874 CA VAL A 58 -4.725 1.216 1.174 1.00 0.00 C ATOM 875 C VAL A 58 -3.798 0.015 1.025 1.00 0.00 C ATOM 876 O VAL A 58 -2.577 0.145 1.120 1.00 0.00 O ATOM 877 CB VAL A 58 -4.843 1.578 2.667 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.464 1.762 3.282 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.688 2.830 2.846 1.00 0.00 C ATOM 0 H VAL A 58 -6.764 0.734 1.268 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.305 2.064 0.634 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.338 0.757 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.567 2.017 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.897 0.836 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.939 2.565 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.761 3.071 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.223 3.661 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.686 2.656 2.444 1.00 0.00 H new ATOM 889 N SER A 59 -4.385 -1.154 0.791 1.00 0.00 N ATOM 890 CA SER A 59 -3.612 -2.380 0.632 1.00 0.00 C ATOM 891 C SER A 59 -2.578 -2.229 -0.480 1.00 0.00 C ATOM 892 O SER A 59 -1.434 -2.665 -0.342 1.00 0.00 O ATOM 893 CB SER A 59 -4.540 -3.557 0.324 1.00 0.00 C ATOM 894 OG SER A 59 -3.811 -4.769 0.227 1.00 0.00 O ATOM 0 H SER A 59 -5.394 -1.278 0.707 1.00 0.00 H new ATOM 0 HA SER A 59 -3.089 -2.575 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.294 -3.644 1.106 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.070 -3.372 -0.610 1.00 0.00 H new ATOM 0 HG SER A 59 -4.426 -5.506 0.031 1.00 0.00 H new ATOM 900 N VAL A 60 -2.988 -1.609 -1.581 1.00 0.00 N ATOM 901 CA VAL A 60 -2.098 -1.399 -2.717 1.00 0.00 C ATOM 902 C VAL A 60 -0.783 -0.766 -2.275 1.00 0.00 C ATOM 903 O VAL A 60 0.213 -0.812 -2.997 1.00 0.00 O ATOM 904 CB VAL A 60 -2.753 -0.504 -3.785 1.00 0.00 C ATOM 905 CG1 VAL A 60 -4.017 -1.155 -4.326 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.055 0.873 -3.214 1.00 0.00 C ATOM 0 H VAL A 60 -3.931 -1.243 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.899 -2.380 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.053 -0.384 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.466 -0.508 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.768 -2.116 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.725 -1.308 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.518 1.492 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.736 0.775 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.128 1.340 -2.881 1.00 0.00 H new ATOM 916 N ILE A 61 -0.788 -0.175 -1.085 1.00 0.00 N ATOM 917 CA ILE A 61 0.405 0.466 -0.546 1.00 0.00 C ATOM 918 C ILE A 61 1.266 -0.531 0.220 1.00 0.00 C ATOM 919 O ILE A 61 2.493 -0.516 0.119 1.00 0.00 O ATOM 920 CB ILE A 61 0.042 1.637 0.386 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.521 2.807 -0.424 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.261 2.076 1.184 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.024 2.763 -0.585 1.00 0.00 C ATOM 0 H ILE A 61 -1.605 -0.127 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 61 0.968 0.850 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.724 1.302 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.243 3.742 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.058 2.811 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.989 2.904 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.622 1.242 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.047 2.397 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.353 3.622 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.308 1.845 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.496 2.790 0.397 1.00 0.00 H new ATOM 935 N LYS A 62 0.616 -1.400 0.987 1.00 0.00 N ATOM 936 CA LYS A 62 1.321 -2.408 1.770 1.00 0.00 C ATOM 937 C LYS A 62 2.045 -3.395 0.860 1.00 0.00 C ATOM 938 O LYS A 62 3.169 -3.808 1.146 1.00 0.00 O ATOM 939 CB LYS A 62 0.341 -3.158 2.675 1.00 0.00 C ATOM 940 CG LYS A 62 -0.462 -2.248 3.588 1.00 0.00 C ATOM 941 CD LYS A 62 -1.067 -3.017 4.751 1.00 0.00 C ATOM 942 CE LYS A 62 -1.464 -2.087 5.887 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.070 -2.832 7.026 1.00 0.00 N ATOM 0 H LYS A 62 -0.399 -1.426 1.083 1.00 0.00 H new ATOM 0 HA LYS A 62 2.061 -1.900 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.346 -3.734 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.895 -3.872 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.181 -1.455 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.256 -1.767 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.942 -3.569 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.349 -3.752 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.586 -1.543 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.173 -1.346 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.327 -2.164 7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.922 -3.331 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.384 -3.522 7.394 1.00 0.00 H new ATOM 957 N VAL A 63 1.395 -3.767 -0.238 1.00 0.00 N ATOM 958 CA VAL A 63 1.979 -4.703 -1.192 1.00 0.00 C ATOM 959 C VAL A 63 3.323 -4.198 -1.706 1.00 0.00 C ATOM 960 O VAL A 63 4.254 -4.977 -1.912 1.00 0.00 O ATOM 961 CB VAL A 63 1.041 -4.943 -2.390 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.116 -3.780 -3.367 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.383 -6.254 -3.080 1.00 0.00 C ATOM 0 H VAL A 63 0.464 -3.435 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 63 2.126 -5.644 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 63 0.018 -5.011 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.447 -3.967 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.817 -2.861 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.138 -3.677 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.710 -6.407 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.412 -6.219 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.272 -7.077 -2.374 1.00 0.00 H new ATOM 973 N LYS A 64 3.417 -2.889 -1.910 1.00 0.00 N ATOM 974 CA LYS A 64 4.647 -2.277 -2.399 1.00 0.00 C ATOM 975 C LYS A 64 5.790 -2.491 -1.412 1.00 0.00 C ATOM 976 O LYS A 64 6.891 -2.884 -1.799 1.00 0.00 O ATOM 977 CB LYS A 64 4.437 -0.780 -2.635 1.00 0.00 C ATOM 978 CG LYS A 64 3.302 -0.469 -3.595 1.00 0.00 C ATOM 979 CD LYS A 64 3.759 -0.542 -5.042 1.00 0.00 C ATOM 980 CE LYS A 64 2.579 -0.670 -5.994 1.00 0.00 C ATOM 981 NZ LYS A 64 2.981 -1.262 -7.299 1.00 0.00 N ATOM 0 H LYS A 64 2.656 -2.231 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 64 4.911 -2.754 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.237 -0.295 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.359 -0.349 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.486 -1.173 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.910 0.526 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.332 0.352 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.426 -1.394 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.808 -1.290 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.139 0.313 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.149 -1.332 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.698 -0.657 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.377 -2.211 -7.142 1.00 0.00 H new ATOM 995 N ILE A 65 5.521 -2.232 -0.137 1.00 0.00 N ATOM 996 CA ILE A 65 6.527 -2.399 0.905 1.00 0.00 C ATOM 997 C ILE A 65 7.173 -3.778 0.829 1.00 0.00 C ATOM 998 O ILE A 65 8.368 -3.902 0.557 1.00 0.00 O ATOM 999 CB ILE A 65 5.923 -2.204 2.308 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.335 -0.798 2.443 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.977 -2.448 3.377 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.456 -0.624 3.662 1.00 0.00 C ATOM 0 H ILE A 65 4.615 -1.906 0.200 1.00 0.00 H new ATOM 0 HA ILE A 65 7.286 -1.635 0.736 1.00 0.00 H new ATOM 0 HB ILE A 65 5.120 -2.928 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.150 -0.075 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.753 -0.569 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.535 -2.306 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.353 -3.467 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.800 -1.745 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.074 0.397 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.621 -1.322 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.039 -0.821 4.562 1.00 0.00 H new ATOM 1014 N HIS A 66 6.375 -4.813 1.070 1.00 0.00 N ATOM 1015 CA HIS A 66 6.868 -6.185 1.026 1.00 0.00 C ATOM 1016 C HIS A 66 7.707 -6.422 -0.226 1.00 0.00 C ATOM 1017 O HIS A 66 8.596 -7.273 -0.237 1.00 0.00 O ATOM 1018 CB HIS A 66 5.700 -7.171 1.065 1.00 0.00 C ATOM 1019 CG HIS A 66 6.128 -8.603 1.162 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.121 -9.465 0.085 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.579 -9.323 2.215 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.548 -10.653 0.473 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.832 -10.594 1.761 1.00 0.00 N ATOM 0 H HIS A 66 5.384 -4.728 1.298 1.00 0.00 H new ATOM 0 HA HIS A 66 7.499 -6.346 1.900 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.062 -6.933 1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.095 -7.041 0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.715 -8.965 3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.648 -11.525 -0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.182 -11.367 2.327 1.00 0.00 H new ATOM 1032 N GLU A 67 7.417 -5.663 -1.279 1.00 0.00 N ATOM 1033 CA GLU A 67 8.144 -5.792 -2.536 1.00 0.00 C ATOM 1034 C GLU A 67 9.613 -5.420 -2.355 1.00 0.00 C ATOM 1035 O GLU A 67 10.504 -6.238 -2.585 1.00 0.00 O ATOM 1036 CB GLU A 67 7.511 -4.906 -3.610 1.00 0.00 C ATOM 1037 CG GLU A 67 7.583 -5.498 -5.008 1.00 0.00 C ATOM 1038 CD GLU A 67 8.933 -6.122 -5.308 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.214 -7.215 -4.774 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.707 -5.516 -6.078 1.00 0.00 O ATOM 0 H GLU A 67 6.684 -4.953 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 67 8.087 -6.833 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.467 -4.728 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.009 -3.936 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.805 -6.253 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.377 -4.717 -5.740 1.00 0.00 H new ATOM 1047 N ALA A 68 9.857 -4.181 -1.943 1.00 0.00 N ATOM 1048 CA ALA A 68 11.217 -3.701 -1.730 1.00 0.00 C ATOM 1049 C ALA A 68 11.803 -4.264 -0.439 1.00 0.00 C ATOM 1050 O ALA A 68 12.914 -4.794 -0.428 1.00 0.00 O ATOM 1051 CB ALA A 68 11.241 -2.179 -1.703 1.00 0.00 C ATOM 0 H ALA A 68 9.131 -3.491 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 68 11.833 -4.049 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.263 -1.834 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.872 -1.792 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.606 -1.819 -0.893 1.00 0.00 H new ATOM 1057 N THR A 69 11.048 -4.145 0.649 1.00 0.00 N ATOM 1058 CA THR A 69 11.493 -4.640 1.945 1.00 0.00 C ATOM 1059 C THR A 69 10.866 -5.993 2.262 1.00 0.00 C ATOM 1060 O THR A 69 9.799 -6.329 1.749 1.00 0.00 O ATOM 1061 CB THR A 69 11.147 -3.650 3.074 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.726 -3.543 3.213 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.739 -2.278 2.790 1.00 0.00 C ATOM 0 H THR A 69 10.125 -3.710 0.658 1.00 0.00 H new ATOM 0 HA THR A 69 12.576 -4.749 1.886 1.00 0.00 H new ATOM 0 HB THR A 69 11.575 -4.028 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.296 -3.771 2.362 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.482 -1.596 3.600 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.823 -2.358 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.337 -1.895 1.852 1.00 0.00 H new ATOM 1071 N GLY A 70 11.535 -6.767 3.111 1.00 0.00 N ATOM 1072 CA GLY A 70 11.027 -8.075 3.481 1.00 0.00 C ATOM 1073 C GLY A 70 10.012 -8.005 4.605 1.00 0.00 C ATOM 1074 O GLY A 70 9.964 -8.887 5.462 1.00 0.00 O ATOM 0 H GLY A 70 12.420 -6.511 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.569 -8.543 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.858 -8.712 3.785 1.00 0.00 H new ATOM 1078 N MET A 71 9.199 -6.954 4.602 1.00 0.00 N ATOM 1079 CA MET A 71 8.181 -6.773 5.629 1.00 0.00 C ATOM 1080 C MET A 71 6.815 -7.233 5.128 1.00 0.00 C ATOM 1081 O MET A 71 6.400 -6.920 4.012 1.00 0.00 O ATOM 1082 CB MET A 71 8.112 -5.306 6.058 1.00 0.00 C ATOM 1083 CG MET A 71 7.547 -5.106 7.454 1.00 0.00 C ATOM 1084 SD MET A 71 7.973 -3.500 8.153 1.00 0.00 S ATOM 1085 CE MET A 71 7.479 -3.730 9.859 1.00 0.00 C ATOM 0 H MET A 71 9.226 -6.215 3.900 1.00 0.00 H new ATOM 0 HA MET A 71 8.457 -7.382 6.489 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.113 -4.876 6.015 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.498 -4.756 5.345 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.462 -5.207 7.420 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.920 -5.893 8.109 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.943 -2.846 10.205 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.829 -4.602 9.935 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.364 -3.882 10.477 1.00 0.00 H new ATOM 1095 N PRO A 72 6.099 -7.993 5.970 1.00 0.00 N ATOM 1096 CA PRO A 72 4.770 -8.511 5.634 1.00 0.00 C ATOM 1097 C PRO A 72 3.716 -7.410 5.576 1.00 0.00 C ATOM 1098 O PRO A 72 3.861 -6.366 6.210 1.00 0.00 O ATOM 1099 CB PRO A 72 4.468 -9.481 6.778 1.00 0.00 C ATOM 1100 CG PRO A 72 5.285 -8.986 7.921 1.00 0.00 C ATOM 1101 CD PRO A 72 6.533 -8.404 7.316 1.00 0.00 C ATOM 0 HA PRO A 72 4.751 -8.975 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.406 -9.485 7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.738 -10.503 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.741 -8.234 8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.526 -9.797 8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.903 -7.558 7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.338 -9.137 7.272 1.00 0.00 H new ATOM 1109 N ALA A 73 2.656 -7.652 4.811 1.00 0.00 N ATOM 1110 CA ALA A 73 1.577 -6.682 4.673 1.00 0.00 C ATOM 1111 C ALA A 73 0.567 -6.819 5.808 1.00 0.00 C ATOM 1112 O ALA A 73 -0.641 -6.756 5.587 1.00 0.00 O ATOM 1113 CB ALA A 73 0.888 -6.847 3.327 1.00 0.00 C ATOM 0 H ALA A 73 2.522 -8.511 4.278 1.00 0.00 H new ATOM 0 HA ALA A 73 2.010 -5.683 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.084 -6.116 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.611 -6.691 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.474 -7.852 3.251 1.00 0.00 H new ATOM 1119 N GLY A 74 1.071 -7.008 7.023 1.00 0.00 N ATOM 1120 CA GLY A 74 0.199 -7.153 8.174 1.00 0.00 C ATOM 1121 C GLY A 74 0.822 -6.611 9.446 1.00 0.00 C ATOM 1122 O GLY A 74 0.394 -5.581 9.966 1.00 0.00 O ATOM 0 H GLY A 74 2.068 -7.063 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.740 -6.633 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.043 -8.207 8.312 1.00 0.00 H new ATOM 1126 N LYS A 75 1.835 -7.308 9.949 1.00 0.00 N ATOM 1127 CA LYS A 75 2.519 -6.893 11.168 1.00 0.00 C ATOM 1128 C LYS A 75 2.784 -5.390 11.158 1.00 0.00 C ATOM 1129 O LYS A 75 2.543 -4.703 12.151 1.00 0.00 O ATOM 1130 CB LYS A 75 3.839 -7.652 11.321 1.00 0.00 C ATOM 1131 CG LYS A 75 3.675 -9.045 11.905 1.00 0.00 C ATOM 1132 CD LYS A 75 3.647 -9.013 13.424 1.00 0.00 C ATOM 1133 CE LYS A 75 5.003 -8.633 13.998 1.00 0.00 C ATOM 1134 NZ LYS A 75 5.059 -8.838 15.472 1.00 0.00 N ATOM 0 H LYS A 75 2.201 -8.164 9.531 1.00 0.00 H new ATOM 0 HA LYS A 75 1.873 -7.126 12.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.319 -7.730 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.508 -7.076 11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.753 -9.490 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.494 -9.680 11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.895 -8.299 13.760 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.351 -9.991 13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.780 -9.229 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.215 -7.589 13.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.999 -8.568 15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.335 -8.250 15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.882 -9.839 15.690 1.00 0.00 H new ATOM 1148 N GLN A 76 3.278 -4.888 10.032 1.00 0.00 N ATOM 1149 CA GLN A 76 3.573 -3.467 9.895 1.00 0.00 C ATOM 1150 C GLN A 76 2.330 -2.624 10.158 1.00 0.00 C ATOM 1151 O GLN A 76 1.203 -3.090 9.987 1.00 0.00 O ATOM 1152 CB GLN A 76 4.118 -3.170 8.496 1.00 0.00 C ATOM 1153 CG GLN A 76 3.127 -3.467 7.382 1.00 0.00 C ATOM 1154 CD GLN A 76 3.522 -2.830 6.064 1.00 0.00 C ATOM 1155 OE1 GLN A 76 3.297 -1.639 5.845 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.116 -3.621 5.179 1.00 0.00 N ATOM 0 H GLN A 76 3.482 -5.444 9.201 1.00 0.00 H new ATOM 0 HA GLN A 76 4.329 -3.206 10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.408 -2.121 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.021 -3.759 8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.047 -4.546 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.140 -3.108 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.283 -4.602 5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.406 -3.248 4.275 1.00 0.00 H new ATOM 1165 N LYS A 77 2.541 -1.381 10.577 1.00 0.00 N ATOM 1166 CA LYS A 77 1.438 -0.472 10.864 1.00 0.00 C ATOM 1167 C LYS A 77 1.651 0.875 10.179 1.00 0.00 C ATOM 1168 O LYS A 77 2.584 1.609 10.506 1.00 0.00 O ATOM 1169 CB LYS A 77 1.296 -0.271 12.374 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.100 0.147 12.803 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.180 0.363 14.305 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.567 -0.915 15.032 1.00 0.00 C ATOM 1173 NZ LYS A 77 0.613 -1.787 15.287 1.00 0.00 N ATOM 0 H LYS A 77 3.467 -0.980 10.725 1.00 0.00 H new ATOM 0 HA LYS A 77 0.522 -0.917 10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.561 -1.198 12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.009 0.486 12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.381 1.065 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.817 -0.618 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.783 0.716 14.675 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.910 1.142 14.523 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.044 -0.664 15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.301 -1.461 14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.416 -2.410 16.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.806 -2.365 14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.442 -1.196 15.498 1.00 0.00 H new ATOM 1187 N LEU A 78 0.779 1.194 9.229 1.00 0.00 N ATOM 1188 CA LEU A 78 0.870 2.454 8.499 1.00 0.00 C ATOM 1189 C LEU A 78 0.123 3.563 9.231 1.00 0.00 C ATOM 1190 O LEU A 78 -1.078 3.455 9.481 1.00 0.00 O ATOM 1191 CB LEU A 78 0.306 2.289 7.086 1.00 0.00 C ATOM 1192 CG LEU A 78 1.005 1.258 6.200 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.698 1.519 4.733 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.507 1.276 6.444 1.00 0.00 C ATOM 0 H LEU A 78 0.001 0.598 8.946 1.00 0.00 H new ATOM 0 HA LEU A 78 1.922 2.733 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.746 2.016 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.347 3.256 6.585 1.00 0.00 H new ATOM 0 HG LEU A 78 0.627 0.269 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.204 0.775 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.378 1.454 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.047 2.515 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.988 0.536 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.901 2.266 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.709 1.039 7.489 1.00 0.00 H new ATOM 1206 N GLN A 79 0.841 4.629 9.571 1.00 0.00 N ATOM 1207 CA GLN A 79 0.244 5.759 10.274 1.00 0.00 C ATOM 1208 C GLN A 79 0.221 7.000 9.388 1.00 0.00 C ATOM 1209 O GLN A 79 1.221 7.343 8.757 1.00 0.00 O ATOM 1210 CB GLN A 79 1.017 6.051 11.561 1.00 0.00 C ATOM 1211 CG GLN A 79 0.184 6.747 12.626 1.00 0.00 C ATOM 1212 CD GLN A 79 1.031 7.346 13.731 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.651 8.395 13.554 1.00 0.00 O ATOM 1214 NE2 GLN A 79 1.063 6.681 14.880 1.00 0.00 N ATOM 0 H GLN A 79 1.836 4.734 9.371 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.783 5.496 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.400 5.114 11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.881 6.672 11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.409 7.534 12.161 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.517 6.033 13.058 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.534 5.815 14.983 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.617 7.036 15.659 1.00 0.00 H new ATOM 1223 N TYR A 80 -0.926 7.669 9.346 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.080 8.870 8.535 1.00 0.00 C ATOM 1225 C TYR A 80 -1.855 9.944 9.293 1.00 0.00 C ATOM 1226 O TYR A 80 -3.066 9.834 9.481 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.797 8.539 7.225 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.353 9.752 6.515 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.513 10.762 6.061 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.719 9.890 6.297 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.017 11.873 5.412 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.231 10.996 5.648 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.376 11.985 5.208 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.882 13.090 4.562 1.00 0.00 O ATOM 0 H TYR A 80 -1.762 7.400 9.864 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.085 9.255 8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.102 8.026 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.611 7.845 7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.448 10.677 6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.392 9.118 6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.350 12.649 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.295 11.086 5.486 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.392 13.889 4.848 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.145 10.982 9.726 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.765 12.075 10.465 1.00 0.00 C ATOM 1246 C GLU A 81 -2.374 11.574 11.771 1.00 0.00 C ATOM 1247 O GLU A 81 -3.527 11.866 12.083 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.843 12.749 9.612 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.294 13.457 8.385 1.00 0.00 C ATOM 1250 CD GLU A 81 -3.384 14.077 7.533 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -4.551 13.650 7.658 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -3.070 14.990 6.741 1.00 0.00 O ATOM 0 H GLU A 81 -0.141 11.088 9.578 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.990 12.804 10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.566 11.997 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.382 13.470 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.598 14.234 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.728 12.746 7.783 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.589 10.815 12.530 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.067 10.284 13.793 1.00 0.00 C ATOM 1261 C GLY A 82 -3.228 9.326 13.616 1.00 0.00 C ATOM 1262 O GLY A 82 -4.064 9.182 14.509 1.00 0.00 O ATOM 0 H GLY A 82 -0.631 10.559 12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.250 9.771 14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.375 11.108 14.437 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.282 8.670 12.462 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.350 7.721 12.171 1.00 0.00 C ATOM 1268 C ILE A 83 -3.784 6.360 11.782 1.00 0.00 C ATOM 1269 O ILE A 83 -2.728 6.270 11.156 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.262 8.229 11.039 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.900 9.564 11.429 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.332 7.197 10.718 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.662 10.222 10.300 1.00 0.00 C ATOM 0 H ILE A 83 -2.598 8.778 11.713 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.939 7.620 13.082 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.656 8.385 10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.577 9.403 12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.120 10.243 11.775 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.969 7.570 9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.858 6.268 10.402 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.937 7.012 11.606 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.087 11.163 10.648 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.985 10.415 9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.464 9.562 9.969 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.496 5.301 12.154 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.066 3.943 11.842 1.00 0.00 C ATOM 1287 C PHE A 84 -4.814 3.401 10.628 1.00 0.00 C ATOM 1288 O PHE A 84 -5.829 2.718 10.765 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.292 3.025 13.046 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.351 3.290 14.186 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -1.980 3.200 14.006 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -3.837 3.629 15.438 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.112 3.442 15.054 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -2.974 3.873 16.490 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.610 3.780 16.297 1.00 0.00 C ATOM 0 H PHE A 84 -5.373 5.357 12.672 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.002 3.970 11.609 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.317 3.144 13.396 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.182 1.988 12.728 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.585 2.938 13.036 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.903 3.704 15.594 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.046 3.367 14.901 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.366 4.136 17.461 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.934 3.971 17.117 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.304 3.710 9.440 1.00 0.00 N ATOM 1306 CA ILE A 85 -4.923 3.254 8.202 1.00 0.00 C ATOM 1307 C ILE A 85 -4.640 1.776 7.958 1.00 0.00 C ATOM 1308 O ILE A 85 -3.549 1.284 8.250 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.426 4.067 6.992 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.909 3.930 6.846 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.820 5.529 7.138 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.411 4.192 5.442 1.00 0.00 C ATOM 0 H ILE A 85 -3.464 4.274 9.309 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.997 3.402 8.313 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.896 3.673 6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.422 4.624 7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.612 2.925 7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.462 6.090 6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.905 5.609 7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.376 5.937 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.327 4.077 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.870 3.481 4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.676 5.207 5.145 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.628 1.070 7.419 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.486 -0.352 7.131 1.00 0.00 C ATOM 1326 C LYS A 86 -5.888 -0.659 5.692 1.00 0.00 C ATOM 1327 O LYS A 86 -6.465 0.184 5.006 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.340 -1.176 8.097 1.00 0.00 C ATOM 1329 CG LYS A 86 -5.633 -1.512 9.399 1.00 0.00 C ATOM 1330 CD LYS A 86 -6.622 -1.894 10.488 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.234 -0.665 11.142 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.376 -1.020 12.029 1.00 0.00 N ATOM 0 H LYS A 86 -6.537 1.460 7.172 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.438 -0.621 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.254 -0.626 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.638 -2.102 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.936 -2.334 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.044 -0.655 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.412 -2.512 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.118 -2.496 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.472 -0.145 11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.574 0.026 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.766 -0.155 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.115 -1.494 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.046 -1.659 12.781 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.580 -1.871 5.243 1.00 0.00 N ATOM 1347 CA ASP A 87 -5.912 -2.290 3.886 1.00 0.00 C ATOM 1348 C ASP A 87 -7.421 -2.271 3.665 1.00 0.00 C ATOM 1349 O ASP A 87 -7.893 -2.021 2.556 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.361 -3.690 3.613 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.292 -4.540 4.867 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.238 -4.476 5.680 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.293 -5.269 5.034 1.00 0.00 O ATOM 0 H ASP A 87 -5.101 -2.580 5.798 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.453 -1.586 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.990 -4.187 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.365 -3.607 3.179 1.00 0.00 H new ATOM 1358 N SER A 88 -8.173 -2.539 4.728 1.00 0.00 N ATOM 1359 CA SER A 88 -9.629 -2.558 4.649 1.00 0.00 C ATOM 1360 C SER A 88 -10.173 -1.171 4.318 1.00 0.00 C ATOM 1361 O SER A 88 -11.208 -1.038 3.666 1.00 0.00 O ATOM 1362 CB SER A 88 -10.226 -3.051 5.968 1.00 0.00 C ATOM 1363 OG SER A 88 -10.044 -4.449 6.119 1.00 0.00 O ATOM 0 H SER A 88 -7.798 -2.746 5.654 1.00 0.00 H new ATOM 0 HA SER A 88 -9.916 -3.242 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.757 -2.528 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.289 -2.814 6.001 1.00 0.00 H new ATOM 0 HG SER A 88 -10.433 -4.739 6.971 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.467 -0.141 4.774 1.00 0.00 N ATOM 1370 CA ASN A 89 -9.879 1.236 4.528 1.00 0.00 C ATOM 1371 C ASN A 89 -9.486 1.678 3.122 1.00 0.00 C ATOM 1372 O ASN A 89 -8.476 1.231 2.579 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.250 2.171 5.563 1.00 0.00 C ATOM 1374 CG ASN A 89 -9.837 1.979 6.948 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -10.800 2.648 7.325 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.259 1.061 7.714 1.00 0.00 N ATOM 0 H ASN A 89 -8.608 -0.234 5.315 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.964 1.286 4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.175 1.997 5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.395 3.205 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.611 0.887 8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.463 0.530 7.361 1.00 0.00 H new ATOM 1383 N SER A 90 -10.291 2.560 2.538 1.00 0.00 N ATOM 1384 CA SER A 90 -10.030 3.061 1.194 1.00 0.00 C ATOM 1385 C SER A 90 -9.240 4.366 1.244 1.00 0.00 C ATOM 1386 O SER A 90 -9.446 5.196 2.131 1.00 0.00 O ATOM 1387 CB SER A 90 -11.345 3.276 0.442 1.00 0.00 C ATOM 1388 OG SER A 90 -12.177 2.133 0.533 1.00 0.00 O ATOM 0 H SER A 90 -11.130 2.942 2.975 1.00 0.00 H new ATOM 0 HA SER A 90 -9.435 2.316 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.865 4.142 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.137 3.496 -0.605 1.00 0.00 H new ATOM 0 HG SER A 90 -11.702 1.420 1.009 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.336 4.539 0.287 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.514 5.743 0.221 1.00 0.00 C ATOM 1396 C LEU A 91 -8.382 6.988 0.068 1.00 0.00 C ATOM 1397 O LEU A 91 -8.404 7.852 0.944 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.529 5.648 -0.946 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.218 4.915 -0.660 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.615 4.377 -1.949 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.235 5.837 0.046 1.00 0.00 C ATOM 0 H LEU A 91 -8.153 3.862 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.957 5.824 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.028 5.148 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.292 6.659 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.431 4.072 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.683 3.858 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.314 3.683 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.416 5.204 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.308 5.299 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.027 6.700 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.665 6.174 0.989 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.098 7.071 -1.049 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.971 8.207 -1.314 1.00 0.00 C ATOM 1415 C ALA A 92 -10.747 8.607 -0.063 1.00 0.00 C ATOM 1416 O ALA A 92 -10.855 9.790 0.261 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.929 7.883 -2.450 1.00 0.00 C ATOM 0 H ALA A 92 -9.090 6.365 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.348 9.051 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.575 8.741 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.360 7.654 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.539 7.022 -2.177 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.285 7.614 0.636 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.054 7.862 1.849 1.00 0.00 C ATOM 1425 C TYR A 93 -11.292 8.782 2.798 1.00 0.00 C ATOM 1426 O TYR A 93 -11.843 9.753 3.317 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.379 6.543 2.552 1.00 0.00 C ATOM 1428 CG TYR A 93 -12.934 6.720 3.947 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -14.258 7.089 4.148 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -12.133 6.518 5.065 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -14.769 7.252 5.421 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -12.636 6.678 6.342 1.00 0.00 C ATOM 1433 CZ TYR A 93 -13.954 7.046 6.514 1.00 0.00 C ATOM 1434 OH TYR A 93 -14.460 7.207 7.784 1.00 0.00 O ATOM 0 H TYR A 93 -11.203 6.629 0.383 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.985 8.353 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.100 5.989 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.475 5.937 2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.899 7.251 3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.100 6.231 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.801 7.539 5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.001 6.516 7.200 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.757 7.023 8.442 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.020 8.470 3.019 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.180 9.266 3.907 1.00 0.00 C ATOM 1446 C TYR A 94 -8.921 10.648 3.316 1.00 0.00 C ATOM 1447 O TYR A 94 -8.634 11.601 4.040 1.00 0.00 O ATOM 1448 CB TYR A 94 -7.852 8.551 4.164 1.00 0.00 C ATOM 1449 CG TYR A 94 -7.978 7.350 5.073 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.450 7.483 6.373 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.625 6.080 4.631 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.565 6.387 7.206 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.738 4.979 5.457 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.208 5.138 6.744 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.323 4.044 7.571 1.00 0.00 O ATOM 0 H TYR A 94 -9.548 7.671 2.595 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.708 9.388 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.430 8.232 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.148 9.257 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.732 8.460 6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.256 5.952 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.933 6.508 8.214 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.460 3.999 5.097 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.058 4.187 8.203 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.025 10.749 1.995 1.00 0.00 N ATOM 1466 CA ASN A 95 -8.802 12.015 1.305 1.00 0.00 C ATOM 1467 C ASN A 95 -7.413 12.565 1.614 1.00 0.00 C ATOM 1468 O ASN A 95 -7.270 13.704 2.058 1.00 0.00 O ATOM 1469 CB ASN A 95 -9.868 13.034 1.709 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.226 12.719 1.111 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.537 13.138 -0.004 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.041 11.978 1.852 1.00 0.00 N ATOM 0 H ASN A 95 -9.262 9.970 1.381 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.871 11.833 0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.950 13.059 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.555 14.028 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.968 11.734 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.741 11.653 2.771 1.00 0.00 H new ATOM 1479 N MET A 96 -6.392 11.748 1.374 1.00 0.00 N ATOM 1480 CA MET A 96 -5.014 12.154 1.625 1.00 0.00 C ATOM 1481 C MET A 96 -4.600 13.283 0.686 1.00 0.00 C ATOM 1482 O MET A 96 -5.363 13.683 -0.192 1.00 0.00 O ATOM 1483 CB MET A 96 -4.070 10.962 1.457 1.00 0.00 C ATOM 1484 CG MET A 96 -4.380 9.805 2.392 1.00 0.00 C ATOM 1485 SD MET A 96 -3.284 8.395 2.139 1.00 0.00 S ATOM 1486 CE MET A 96 -3.870 7.278 3.411 1.00 0.00 C ATOM 0 H MET A 96 -6.493 10.802 1.006 1.00 0.00 H new ATOM 0 HA MET A 96 -4.949 12.517 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.122 10.610 0.427 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.046 11.293 1.629 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.296 10.145 3.424 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.413 9.489 2.243 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.458 6.284 3.240 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.551 7.640 4.388 1.00 0.00 H new ATOM 0 HE3 MET A 96 -4.958 7.230 3.380 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.387 13.791 0.877 1.00 0.00 N ATOM 1497 CA ALA A 97 -2.871 14.871 0.045 1.00 0.00 C ATOM 1498 C ALA A 97 -1.508 14.514 -0.536 1.00 0.00 C ATOM 1499 O ALA A 97 -0.673 13.911 0.139 1.00 0.00 O ATOM 1500 CB ALA A 97 -2.783 16.160 0.849 1.00 0.00 C ATOM 0 H ALA A 97 -2.743 13.472 1.601 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.562 15.019 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.396 16.958 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.775 16.432 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.115 16.014 1.698 1.00 0.00 H new ATOM 1506 N SER A 98 -1.289 14.889 -1.793 1.00 0.00 N ATOM 1507 CA SER A 98 -0.027 14.603 -2.467 1.00 0.00 C ATOM 1508 C SER A 98 1.157 14.897 -1.550 1.00 0.00 C ATOM 1509 O SER A 98 1.027 15.618 -0.562 1.00 0.00 O ATOM 1510 CB SER A 98 0.088 15.430 -3.749 1.00 0.00 C ATOM 1511 OG SER A 98 -0.947 15.105 -4.660 1.00 0.00 O ATOM 0 H SER A 98 -1.968 15.391 -2.365 1.00 0.00 H new ATOM 0 HA SER A 98 -0.011 13.544 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.043 16.492 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.057 15.251 -4.215 1.00 0.00 H new ATOM 0 HG SER A 98 -0.852 15.648 -5.470 1.00 0.00 H new ATOM 1517 N GLY A 99 2.312 14.331 -1.887 1.00 0.00 N ATOM 1518 CA GLY A 99 3.503 14.543 -1.085 1.00 0.00 C ATOM 1519 C GLY A 99 3.279 14.228 0.381 1.00 0.00 C ATOM 1520 O GLY A 99 3.859 14.869 1.256 1.00 0.00 O ATOM 0 H GLY A 99 2.444 13.730 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.311 13.919 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.825 15.579 -1.186 1.00 0.00 H new ATOM 1524 N ALA A 100 2.433 13.238 0.649 1.00 0.00 N ATOM 1525 CA ALA A 100 2.134 12.839 2.018 1.00 0.00 C ATOM 1526 C ALA A 100 3.270 12.012 2.610 1.00 0.00 C ATOM 1527 O ALA A 100 4.261 11.729 1.937 1.00 0.00 O ATOM 1528 CB ALA A 100 0.829 12.058 2.068 1.00 0.00 C ATOM 0 H ALA A 100 1.943 12.698 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 100 2.027 13.743 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.619 11.767 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.017 12.682 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.915 11.165 1.449 1.00 0.00 H new ATOM 1534 N VAL A 101 3.121 11.628 3.874 1.00 0.00 N ATOM 1535 CA VAL A 101 4.135 10.833 4.556 1.00 0.00 C ATOM 1536 C VAL A 101 3.495 9.777 5.451 1.00 0.00 C ATOM 1537 O VAL A 101 2.772 10.103 6.393 1.00 0.00 O ATOM 1538 CB VAL A 101 5.063 11.718 5.409 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.299 12.322 6.577 1.00 0.00 C ATOM 1540 CG2 VAL A 101 6.260 10.918 5.899 1.00 0.00 C ATOM 0 H VAL A 101 2.308 11.855 4.446 1.00 0.00 H new ATOM 0 HA VAL A 101 4.725 10.341 3.782 1.00 0.00 H new ATOM 0 HB VAL A 101 5.432 12.534 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.971 12.944 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.479 12.932 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.899 11.524 7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.905 11.559 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.914 10.081 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.820 10.540 5.044 1.00 0.00 H new ATOM 1550 N ILE A 102 3.767 8.512 5.151 1.00 0.00 N ATOM 1551 CA ILE A 102 3.219 7.408 5.929 1.00 0.00 C ATOM 1552 C ILE A 102 4.249 6.864 6.912 1.00 0.00 C ATOM 1553 O ILE A 102 5.221 6.219 6.517 1.00 0.00 O ATOM 1554 CB ILE A 102 2.739 6.261 5.020 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.648 6.758 4.069 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.229 5.098 5.858 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.430 7.305 4.780 1.00 0.00 C ATOM 0 H ILE A 102 4.364 8.226 4.375 1.00 0.00 H new ATOM 0 HA ILE A 102 2.367 7.804 6.481 1.00 0.00 H new ATOM 0 HB ILE A 102 3.583 5.912 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.063 7.535 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.342 5.938 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.893 4.296 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.031 4.731 6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.396 5.433 6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.302 7.639 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.010 6.525 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.723 8.146 5.408 1.00 0.00 H new ATOM 1569 N HIS A 103 4.029 7.126 8.197 1.00 0.00 N ATOM 1570 CA HIS A 103 4.938 6.661 9.239 1.00 0.00 C ATOM 1571 C HIS A 103 4.707 5.183 9.541 1.00 0.00 C ATOM 1572 O HIS A 103 3.582 4.764 9.817 1.00 0.00 O ATOM 1573 CB HIS A 103 4.755 7.488 10.511 1.00 0.00 C ATOM 1574 CG HIS A 103 5.100 8.936 10.339 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.364 9.440 10.563 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.338 9.988 9.962 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.363 10.741 10.332 1.00 0.00 C ATOM 1578 NE2 HIS A 103 5.146 11.098 9.965 1.00 0.00 N ATOM 0 H HIS A 103 3.229 7.658 8.541 1.00 0.00 H new ATOM 0 HA HIS A 103 5.959 6.785 8.878 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.720 7.406 10.842 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.376 7.066 11.301 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.289 9.960 9.706 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.213 11.400 10.427 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.854 12.045 9.723 1.00 0.00 H new ATOM 1587 N LEU A 104 5.778 4.399 9.486 1.00 0.00 N ATOM 1588 CA LEU A 104 5.692 2.967 9.753 1.00 0.00 C ATOM 1589 C LEU A 104 5.814 2.684 11.247 1.00 0.00 C ATOM 1590 O LEU A 104 6.643 3.278 11.936 1.00 0.00 O ATOM 1591 CB LEU A 104 6.786 2.219 8.989 1.00 0.00 C ATOM 1592 CG LEU A 104 6.684 0.694 8.993 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.467 0.238 8.202 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.953 0.073 8.427 1.00 0.00 C ATOM 0 H LEU A 104 6.716 4.730 9.259 1.00 0.00 H new ATOM 0 HA LEU A 104 4.717 2.617 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.777 2.561 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.752 2.500 9.409 1.00 0.00 H new ATOM 0 HG LEU A 104 6.568 0.360 10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.411 -0.850 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.565 0.654 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.552 0.584 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.863 -1.013 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.100 0.415 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.807 0.372 9.035 1.00 0.00 H new ATOM 1606 N ALA A 105 4.985 1.770 11.740 1.00 0.00 N ATOM 1607 CA ALA A 105 5.003 1.404 13.151 1.00 0.00 C ATOM 1608 C ALA A 105 4.938 -0.109 13.327 1.00 0.00 C ATOM 1609 O ALA A 105 4.004 -0.760 12.858 1.00 0.00 O ATOM 1610 CB ALA A 105 3.849 2.072 13.885 1.00 0.00 C ATOM 0 H ALA A 105 4.292 1.269 11.183 1.00 0.00 H new ATOM 0 HA ALA A 105 5.943 1.754 13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.875 1.790 14.937 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.940 3.155 13.797 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.904 1.751 13.446 1.00 0.00 H new ATOM 1616 N LEU A 106 5.937 -0.664 14.004 1.00 0.00 N ATOM 1617 CA LEU A 106 5.995 -2.102 14.241 1.00 0.00 C ATOM 1618 C LEU A 106 4.943 -2.528 15.261 1.00 0.00 C ATOM 1619 O LEU A 106 4.981 -2.112 16.419 1.00 0.00 O ATOM 1620 CB LEU A 106 7.388 -2.503 14.730 1.00 0.00 C ATOM 1621 CG LEU A 106 7.866 -3.897 14.323 1.00 0.00 C ATOM 1622 CD1 LEU A 106 9.267 -4.157 14.854 1.00 0.00 C ATOM 1623 CD2 LEU A 106 6.899 -4.961 14.822 1.00 0.00 C ATOM 0 H LEU A 106 6.718 -0.140 14.399 1.00 0.00 H new ATOM 0 HA LEU A 106 5.788 -2.609 13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.106 -1.772 14.359 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.402 -2.439 15.818 1.00 0.00 H new ATOM 0 HG LEU A 106 7.897 -3.945 13.234 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.590 -5.154 14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.954 -3.415 14.447 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.262 -4.089 15.942 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.256 -5.946 14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.835 -4.913 15.909 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.913 -4.787 14.392 1.00 0.00 H new ATOM 1635 N LYS A 107 4.006 -3.363 14.823 1.00 0.00 N ATOM 1636 CA LYS A 107 2.945 -3.849 15.698 1.00 0.00 C ATOM 1637 C LYS A 107 3.524 -4.641 16.866 1.00 0.00 C ATOM 1638 O LYS A 107 4.394 -5.490 16.681 1.00 0.00 O ATOM 1639 CB LYS A 107 1.968 -4.724 14.909 1.00 0.00 C ATOM 1640 CG LYS A 107 0.813 -5.250 15.744 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.412 -5.527 14.890 1.00 0.00 C ATOM 1642 CE LYS A 107 -0.273 -6.832 14.121 1.00 0.00 C ATOM 1643 NZ LYS A 107 -1.578 -7.299 13.579 1.00 0.00 N ATOM 0 H LYS A 107 3.960 -3.717 13.868 1.00 0.00 H new ATOM 0 HA LYS A 107 2.411 -2.986 16.096 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.569 -4.147 14.074 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.511 -5.567 14.483 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.118 -6.165 16.252 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.562 -4.524 16.517 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.297 -5.570 15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.562 -4.705 14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.433 -6.697 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.142 -7.597 14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.440 -8.191 13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.244 -7.453 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.963 -6.580 12.933 1.00 0.00 H new ATOM 1657 N GLU A 108 3.033 -4.357 18.068 1.00 0.00 N ATOM 1658 CA GLU A 108 3.501 -5.044 19.266 1.00 0.00 C ATOM 1659 C GLU A 108 2.478 -6.073 19.739 1.00 0.00 C ATOM 1660 O GLU A 108 2.187 -6.172 20.930 1.00 0.00 O ATOM 1661 CB GLU A 108 3.780 -4.036 20.383 1.00 0.00 C ATOM 1662 CG GLU A 108 2.566 -3.212 20.776 1.00 0.00 C ATOM 1663 CD GLU A 108 1.762 -3.852 21.891 1.00 0.00 C ATOM 1664 OE1 GLU A 108 2.342 -4.119 22.964 1.00 0.00 O ATOM 1665 OE2 GLU A 108 0.552 -4.088 21.690 1.00 0.00 O ATOM 0 H GLU A 108 2.312 -3.656 18.238 1.00 0.00 H new ATOM 0 HA GLU A 108 4.426 -5.565 19.017 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.145 -4.570 21.260 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.577 -3.364 20.064 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.891 -2.220 21.091 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.926 -3.076 19.904 1.00 0.00 H new ATOM 1672 N ARG A 109 1.937 -6.836 18.795 1.00 0.00 N ATOM 1673 CA ARG A 109 0.945 -7.857 19.113 1.00 0.00 C ATOM 1674 C ARG A 109 1.490 -9.253 18.824 1.00 0.00 C ATOM 1675 O ARG A 109 2.388 -9.421 17.999 1.00 0.00 O ATOM 1676 CB ARG A 109 -0.336 -7.621 18.312 1.00 0.00 C ATOM 1677 CG ARG A 109 -1.095 -6.373 18.730 1.00 0.00 C ATOM 1678 CD ARG A 109 -1.887 -6.604 20.008 1.00 0.00 C ATOM 1679 NE ARG A 109 -2.989 -7.541 19.807 1.00 0.00 N ATOM 1680 CZ ARG A 109 -3.787 -7.956 20.784 1.00 0.00 C ATOM 1681 NH1 ARG A 109 -3.608 -7.520 22.023 1.00 0.00 N ATOM 1682 NH2 ARG A 109 -4.769 -8.810 20.522 1.00 0.00 N ATOM 0 H ARG A 109 2.169 -6.767 17.804 1.00 0.00 H new ATOM 0 HA ARG A 109 0.717 -7.788 20.177 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.084 -7.545 17.254 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.989 -8.487 18.423 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.394 -5.552 18.879 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.772 -6.073 17.930 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.222 -6.987 20.782 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.281 -5.653 20.367 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.155 -7.896 18.865 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.855 -6.863 22.229 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.223 -7.841 22.771 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.911 -9.148 19.570 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.382 -9.129 21.273 1.00 0.00 H new ATOM 1696 N SER A 110 0.940 -10.250 19.509 1.00 0.00 N ATOM 1697 CA SER A 110 1.373 -11.631 19.330 1.00 0.00 C ATOM 1698 C SER A 110 0.824 -12.207 18.028 1.00 0.00 C ATOM 1699 O SER A 110 0.010 -11.579 17.352 1.00 0.00 O ATOM 1700 CB SER A 110 0.919 -12.488 20.512 1.00 0.00 C ATOM 1701 OG SER A 110 1.613 -13.723 20.544 1.00 0.00 O ATOM 0 H SER A 110 0.194 -10.127 20.193 1.00 0.00 H new ATOM 0 HA SER A 110 2.462 -11.641 19.281 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.089 -11.948 21.443 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.153 -12.672 20.441 1.00 0.00 H new ATOM 0 HG SER A 110 1.305 -14.251 21.310 1.00 0.00 H new ATOM 1707 N GLY A 111 1.276 -13.409 17.683 1.00 0.00 N ATOM 1708 CA GLY A 111 0.820 -14.051 16.464 1.00 0.00 C ATOM 1709 C GLY A 111 1.886 -14.072 15.386 1.00 0.00 C ATOM 1710 O GLY A 111 1.832 -13.316 14.416 1.00 0.00 O ATOM 0 H GLY A 111 1.950 -13.949 18.226 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.514 -15.073 16.688 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.061 -13.529 16.090 1.00 0.00 H new ATOM 1714 N PRO A 112 2.883 -14.954 15.551 1.00 0.00 N ATOM 1715 CA PRO A 112 3.986 -15.090 14.595 1.00 0.00 C ATOM 1716 C PRO A 112 3.534 -15.700 13.273 1.00 0.00 C ATOM 1717 O PRO A 112 2.360 -16.029 13.098 1.00 0.00 O ATOM 1718 CB PRO A 112 4.962 -16.027 15.310 1.00 0.00 C ATOM 1719 CG PRO A 112 4.114 -16.811 16.251 1.00 0.00 C ATOM 1720 CD PRO A 112 3.011 -15.886 16.684 1.00 0.00 C ATOM 0 HA PRO A 112 4.418 -14.125 14.330 1.00 0.00 H new ATOM 0 HB2 PRO A 112 5.475 -16.679 14.603 1.00 0.00 H new ATOM 0 HB3 PRO A 112 5.730 -15.467 15.843 1.00 0.00 H new ATOM 0 HG2 PRO A 112 3.710 -17.699 15.765 1.00 0.00 H new ATOM 0 HG3 PRO A 112 4.695 -17.153 17.107 1.00 0.00 H new ATOM 0 HD2 PRO A 112 2.082 -16.426 16.867 1.00 0.00 H new ATOM 0 HD3 PRO A 112 3.263 -15.364 17.607 1.00 0.00 H new ATOM 1728 N SER A 113 4.473 -15.850 12.344 1.00 0.00 N ATOM 1729 CA SER A 113 4.170 -16.418 11.035 1.00 0.00 C ATOM 1730 C SER A 113 5.446 -16.863 10.328 1.00 0.00 C ATOM 1731 O SER A 113 6.535 -16.367 10.618 1.00 0.00 O ATOM 1732 CB SER A 113 3.425 -15.397 10.173 1.00 0.00 C ATOM 1733 OG SER A 113 4.303 -14.390 9.702 1.00 0.00 O ATOM 0 H SER A 113 5.450 -15.586 12.473 1.00 0.00 H new ATOM 0 HA SER A 113 3.534 -17.291 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.959 -15.902 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.623 -14.942 10.754 1.00 0.00 H new ATOM 0 HG SER A 113 3.803 -13.751 9.152 1.00 0.00 H new ATOM 1739 N SER A 114 5.303 -17.802 9.398 1.00 0.00 N ATOM 1740 CA SER A 114 6.444 -18.319 8.651 1.00 0.00 C ATOM 1741 C SER A 114 5.981 -19.137 7.450 1.00 0.00 C ATOM 1742 O SER A 114 4.835 -19.579 7.390 1.00 0.00 O ATOM 1743 CB SER A 114 7.328 -19.178 9.558 1.00 0.00 C ATOM 1744 OG SER A 114 8.466 -19.652 8.859 1.00 0.00 O ATOM 0 H SER A 114 4.408 -18.220 9.144 1.00 0.00 H new ATOM 0 HA SER A 114 7.024 -17.470 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.645 -18.594 10.422 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.753 -20.022 9.938 1.00 0.00 H new ATOM 0 HG SER A 114 9.016 -20.197 9.460 1.00 0.00 H new ATOM 1750 N GLY A 115 6.883 -19.334 6.493 1.00 0.00 N ATOM 1751 CA GLY A 115 6.550 -20.098 5.305 1.00 0.00 C ATOM 1752 C GLY A 115 7.685 -20.133 4.301 1.00 0.00 C ATOM 1753 O GLY A 115 7.698 -19.361 3.342 1.00 0.00 O ATOM 0 H GLY A 115 7.838 -18.978 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.292 -21.117 5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.666 -19.666 4.835 1.00 0.00 H new TER 1757 GLY A 115