USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 103 HIS : no HD1:sc= 0.00807 X(o=0.018,f=-0.17) USER MOD Set 1.2: A 105 HIS : no HD1:sc= 0.0103 X(o=0.018,f=-0.18) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= -3.77! C(o=-7!,f=-6.3!) USER MOD Set 2.2: A 6 CYS SG : rot 45:sc= -2.52! USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0267) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.484 (180deg=-0.704) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -1.54! C(o=-1.5!,f=-10!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 13:sc= 0.515 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 127:sc= -0.0108! USER MOD Single : A 41 LYS NZ :NH3+ -127:sc= 1.07 (180deg=-0.909) USER MOD Single : A 43 HIS : no HD1:sc= -0.0262 K(o=-0.026,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0226 (180deg=-0.272) USER MOD Single : A 51 TYR OH : rot 165:sc= -0.177 USER MOD Single : A 53 SER OG : rot -28:sc= 0.46 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -5.9! C(o=-5.9!,f=-7.4!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc=-0.00545 X(o=-0.0055,f=-0.36) USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= -1.37 (180deg=-5.98!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -99:sc= -6.6! (180deg=-7.62!) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.0218 (180deg=-0.277) USER MOD Single : A 95 THR OG1 : rot 3:sc= -0.577 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.969 -36.369 -15.373 1.00 0.00 N ATOM 2 CA MET A 1 5.672 -35.061 -15.473 1.00 0.00 C ATOM 3 C MET A 1 7.090 -35.218 -14.929 1.00 0.00 C ATOM 4 O MET A 1 7.846 -34.267 -14.858 1.00 0.00 O ATOM 5 CB MET A 1 4.916 -34.010 -14.652 1.00 0.00 C ATOM 6 CG MET A 1 3.528 -33.779 -15.263 1.00 0.00 C ATOM 7 SD MET A 1 3.684 -33.051 -16.917 1.00 0.00 S ATOM 8 CE MET A 1 3.898 -31.321 -16.416 1.00 0.00 C ATOM 0 H1 MET A 1 4.069 -36.320 -15.891 1.00 0.00 H new ATOM 0 H2 MET A 1 5.565 -37.116 -15.784 1.00 0.00 H new ATOM 0 H3 MET A 1 4.782 -36.587 -14.373 1.00 0.00 H new ATOM 0 HA MET A 1 5.712 -34.740 -16.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.819 -34.343 -13.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.477 -33.075 -14.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.987 -34.724 -15.323 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.945 -33.119 -14.621 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.906 -30.684 -17.301 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.075 -31.026 -15.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.841 -31.211 -15.881 1.00 0.00 H new ATOM 20 N SER A 2 7.461 -36.417 -14.546 1.00 0.00 N ATOM 21 CA SER A 2 8.835 -36.649 -14.006 1.00 0.00 C ATOM 22 C SER A 2 9.428 -37.914 -14.634 1.00 0.00 C ATOM 23 O SER A 2 8.735 -38.875 -14.902 1.00 0.00 O ATOM 24 CB SER A 2 8.758 -36.816 -12.488 1.00 0.00 C ATOM 25 OG SER A 2 8.284 -35.607 -11.910 1.00 0.00 O ATOM 0 H SER A 2 6.868 -37.246 -14.585 1.00 0.00 H new ATOM 0 HA SER A 2 9.471 -35.798 -14.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.092 -37.641 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.741 -37.065 -12.087 1.00 0.00 H new ATOM 0 HG SER A 2 8.231 -35.709 -10.937 1.00 0.00 H new ATOM 31 N ASN A 3 10.714 -37.910 -14.873 1.00 0.00 N ATOM 32 CA ASN A 3 11.373 -39.098 -15.486 1.00 0.00 C ATOM 33 C ASN A 3 11.336 -40.281 -14.517 1.00 0.00 C ATOM 34 O ASN A 3 11.122 -41.411 -14.917 1.00 0.00 O ATOM 35 CB ASN A 3 12.830 -38.753 -15.819 1.00 0.00 C ATOM 36 CG ASN A 3 13.612 -38.480 -14.529 1.00 0.00 C ATOM 37 OD1 ASN A 3 13.034 -38.161 -13.507 1.00 0.00 O ATOM 38 ND2 ASN A 3 14.913 -38.589 -14.533 1.00 0.00 N ATOM 0 H ASN A 3 11.338 -37.130 -14.668 1.00 0.00 H new ATOM 0 HA ASN A 3 10.841 -39.372 -16.397 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.291 -39.575 -16.366 1.00 0.00 H new ATOM 0 HB3 ASN A 3 12.866 -37.878 -16.468 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.443 -38.407 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.400 -38.856 -15.389 1.00 0.00 H new ATOM 45 N GLN A 4 11.556 -40.034 -13.250 1.00 0.00 N ATOM 46 CA GLN A 4 11.550 -41.143 -12.248 1.00 0.00 C ATOM 47 C GLN A 4 10.288 -41.060 -11.382 1.00 0.00 C ATOM 48 O GLN A 4 9.737 -39.998 -11.166 1.00 0.00 O ATOM 49 CB GLN A 4 12.797 -41.034 -11.359 1.00 0.00 C ATOM 50 CG GLN A 4 13.070 -42.390 -10.696 1.00 0.00 C ATOM 51 CD GLN A 4 14.301 -42.287 -9.795 1.00 0.00 C ATOM 52 OE1 GLN A 4 15.088 -41.256 -9.903 1.00 0.00 O flip ATOM 53 NE2 GLN A 4 14.546 -43.159 -8.983 1.00 0.00 N flip ATOM 0 H GLN A 4 11.740 -39.108 -12.865 1.00 0.00 H new ATOM 0 HA GLN A 4 11.558 -42.100 -12.770 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.657 -40.729 -11.955 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.649 -40.268 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.204 -42.700 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.229 -43.153 -11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 4 13.928 -43.966 -8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 4 15.369 -43.083 -8.386 1.00 0.00 H new ATOM 62 N THR A 5 9.837 -42.180 -10.885 1.00 0.00 N ATOM 63 CA THR A 5 8.616 -42.199 -10.025 1.00 0.00 C ATOM 64 C THR A 5 9.040 -42.262 -8.551 1.00 0.00 C ATOM 65 O THR A 5 8.220 -42.347 -7.657 1.00 0.00 O ATOM 66 CB THR A 5 7.792 -43.439 -10.376 1.00 0.00 C ATOM 67 OG1 THR A 5 8.543 -44.602 -10.063 1.00 0.00 O ATOM 68 CG2 THR A 5 7.470 -43.430 -11.872 1.00 0.00 C ATOM 0 H THR A 5 10.266 -43.092 -11.039 1.00 0.00 H new ATOM 0 HA THR A 5 8.022 -41.301 -10.191 1.00 0.00 H new ATOM 0 HB THR A 5 6.864 -43.436 -9.805 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.018 -45.400 -10.285 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.883 -44.313 -12.123 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.900 -42.534 -12.116 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.398 -43.437 -12.444 1.00 0.00 H new ATOM 76 N CYS A 6 10.319 -42.226 -8.297 1.00 0.00 N ATOM 77 CA CYS A 6 10.808 -42.291 -6.891 1.00 0.00 C ATOM 78 C CYS A 6 10.225 -41.124 -6.083 1.00 0.00 C ATOM 79 O CYS A 6 10.875 -40.121 -5.859 1.00 0.00 O ATOM 80 CB CYS A 6 12.338 -42.219 -6.882 1.00 0.00 C ATOM 81 SG CYS A 6 12.877 -40.676 -7.657 1.00 0.00 S ATOM 0 H CYS A 6 11.049 -42.154 -9.006 1.00 0.00 H new ATOM 0 HA CYS A 6 10.488 -43.229 -6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 6 12.709 -42.273 -5.858 1.00 0.00 H new ATOM 0 HB3 CYS A 6 12.755 -43.072 -7.417 1.00 0.00 H new ATOM 0 HG CYS A 6 12.158 -39.691 -7.208 1.00 0.00 H new ATOM 87 N VAL A 7 9.003 -41.259 -5.635 1.00 0.00 N ATOM 88 CA VAL A 7 8.364 -40.176 -4.830 1.00 0.00 C ATOM 89 C VAL A 7 8.540 -40.496 -3.342 1.00 0.00 C ATOM 90 O VAL A 7 8.355 -39.654 -2.484 1.00 0.00 O ATOM 91 CB VAL A 7 6.874 -40.107 -5.181 1.00 0.00 C ATOM 92 CG1 VAL A 7 6.208 -41.457 -4.900 1.00 0.00 C ATOM 93 CG2 VAL A 7 6.200 -39.025 -4.335 1.00 0.00 C ATOM 0 H VAL A 7 8.417 -42.079 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 7 8.828 -39.215 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 7 6.768 -39.867 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.149 -41.400 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.683 -42.230 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.317 -41.704 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.140 -38.976 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.313 -39.266 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.666 -38.061 -4.539 1.00 0.00 H new ATOM 103 N GLU A 8 8.910 -41.714 -3.044 1.00 0.00 N ATOM 104 CA GLU A 8 9.121 -42.139 -1.624 1.00 0.00 C ATOM 105 C GLU A 8 8.057 -41.520 -0.702 1.00 0.00 C ATOM 106 O GLU A 8 6.871 -41.578 -0.966 1.00 0.00 O ATOM 107 CB GLU A 8 10.517 -41.697 -1.152 1.00 0.00 C ATOM 108 CG GLU A 8 10.936 -42.518 0.079 1.00 0.00 C ATOM 109 CD GLU A 8 11.369 -43.917 -0.365 1.00 0.00 C ATOM 110 OE1 GLU A 8 11.442 -44.143 -1.561 1.00 0.00 O ATOM 111 OE2 GLU A 8 11.621 -44.740 0.500 1.00 0.00 O ATOM 0 H GLU A 8 9.078 -42.446 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 8 9.038 -43.225 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.242 -41.833 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.508 -40.635 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.754 -42.021 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.106 -42.588 0.782 1.00 0.00 H new ATOM 118 N ASN A 9 8.483 -40.945 0.393 1.00 0.00 N ATOM 119 CA ASN A 9 7.529 -40.339 1.358 1.00 0.00 C ATOM 120 C ASN A 9 7.287 -38.872 0.993 1.00 0.00 C ATOM 121 O ASN A 9 8.142 -38.025 1.165 1.00 0.00 O ATOM 122 CB ASN A 9 8.132 -40.435 2.761 1.00 0.00 C ATOM 123 CG ASN A 9 7.175 -39.825 3.782 1.00 0.00 C ATOM 124 OD1 ASN A 9 7.029 -38.622 3.852 1.00 0.00 O ATOM 125 ND2 ASN A 9 6.517 -40.611 4.592 1.00 0.00 N ATOM 0 H ASN A 9 9.465 -40.871 0.659 1.00 0.00 H new ATOM 0 HA ASN A 9 6.577 -40.868 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.328 -41.478 3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.089 -39.915 2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.881 -40.214 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.640 -41.622 4.533 1.00 0.00 H new ATOM 132 N GLU A 10 6.123 -38.568 0.490 1.00 0.00 N ATOM 133 CA GLU A 10 5.812 -37.162 0.115 1.00 0.00 C ATOM 134 C GLU A 10 4.297 -37.005 -0.034 1.00 0.00 C ATOM 135 O GLU A 10 3.665 -37.688 -0.816 1.00 0.00 O ATOM 136 CB GLU A 10 6.506 -36.807 -1.206 1.00 0.00 C ATOM 137 CG GLU A 10 6.213 -35.344 -1.551 1.00 0.00 C ATOM 138 CD GLU A 10 6.982 -34.949 -2.813 1.00 0.00 C ATOM 139 OE1 GLU A 10 7.887 -35.676 -3.184 1.00 0.00 O ATOM 140 OE2 GLU A 10 6.649 -33.925 -3.388 1.00 0.00 O ATOM 0 H GLU A 10 5.371 -39.236 0.322 1.00 0.00 H new ATOM 0 HA GLU A 10 6.174 -36.490 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.581 -36.965 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.151 -37.459 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.143 -35.204 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.502 -34.699 -0.721 1.00 0.00 H new ATOM 147 N VAL A 11 3.711 -36.112 0.722 1.00 0.00 N ATOM 148 CA VAL A 11 2.234 -35.910 0.645 1.00 0.00 C ATOM 149 C VAL A 11 1.908 -34.930 -0.485 1.00 0.00 C ATOM 150 O VAL A 11 2.477 -33.861 -0.579 1.00 0.00 O ATOM 151 CB VAL A 11 1.722 -35.356 1.976 1.00 0.00 C ATOM 152 CG1 VAL A 11 2.035 -36.359 3.086 1.00 0.00 C ATOM 153 CG2 VAL A 11 2.412 -34.022 2.284 1.00 0.00 C ATOM 0 H VAL A 11 4.194 -35.513 1.391 1.00 0.00 H new ATOM 0 HA VAL A 11 1.748 -36.864 0.443 1.00 0.00 H new ATOM 0 HB VAL A 11 0.646 -35.195 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.673 -35.972 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.543 -37.307 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.112 -36.514 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.043 -33.632 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.489 -34.176 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.195 -33.308 1.490 1.00 0.00 H new ATOM 163 N CYS A 12 1.001 -35.297 -1.352 1.00 0.00 N ATOM 164 CA CYS A 12 0.643 -34.405 -2.489 1.00 0.00 C ATOM 165 C CYS A 12 -0.490 -33.464 -2.076 1.00 0.00 C ATOM 166 O CYS A 12 -1.503 -33.881 -1.548 1.00 0.00 O ATOM 167 CB CYS A 12 0.197 -35.270 -3.674 1.00 0.00 C ATOM 168 SG CYS A 12 1.651 -35.765 -4.632 1.00 0.00 S ATOM 0 H CYS A 12 0.492 -36.180 -1.319 1.00 0.00 H new ATOM 0 HA CYS A 12 1.508 -33.806 -2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.335 -36.152 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.497 -34.714 -4.305 1.00 0.00 H new ATOM 0 HG CYS A 12 1.279 -36.501 -5.637 1.00 0.00 H new ATOM 174 N GLU A 13 -0.334 -32.195 -2.337 1.00 0.00 N ATOM 175 CA GLU A 13 -1.402 -31.224 -1.984 1.00 0.00 C ATOM 176 C GLU A 13 -1.218 -29.958 -2.821 1.00 0.00 C ATOM 177 O GLU A 13 -0.304 -29.186 -2.611 1.00 0.00 O ATOM 178 CB GLU A 13 -1.322 -30.882 -0.493 1.00 0.00 C ATOM 179 CG GLU A 13 -2.514 -30.000 -0.100 1.00 0.00 C ATOM 180 CD GLU A 13 -3.802 -30.827 -0.151 1.00 0.00 C ATOM 181 OE1 GLU A 13 -3.707 -32.029 -0.331 1.00 0.00 O ATOM 182 OE2 GLU A 13 -4.863 -30.241 -0.005 1.00 0.00 O ATOM 0 H GLU A 13 0.490 -31.790 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.379 -31.660 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.323 -31.796 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.387 -30.364 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.367 -29.598 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.589 -29.149 -0.777 1.00 0.00 H new ATOM 189 N ALA A 14 -2.089 -29.743 -3.765 1.00 0.00 N ATOM 190 CA ALA A 14 -1.995 -28.535 -4.628 1.00 0.00 C ATOM 191 C ALA A 14 -3.174 -28.554 -5.599 1.00 0.00 C ATOM 192 O ALA A 14 -3.335 -27.670 -6.415 1.00 0.00 O ATOM 193 CB ALA A 14 -0.675 -28.551 -5.414 1.00 0.00 C ATOM 0 H ALA A 14 -2.872 -30.361 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.021 -27.634 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.615 -27.663 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.163 -28.559 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.635 -29.442 -6.040 1.00 0.00 H new ATOM 199 N CYS A 15 -4.002 -29.564 -5.503 1.00 0.00 N ATOM 200 CA CYS A 15 -5.187 -29.666 -6.409 1.00 0.00 C ATOM 201 C CYS A 15 -4.751 -29.502 -7.864 1.00 0.00 C ATOM 202 O CYS A 15 -4.530 -30.467 -8.573 1.00 0.00 O ATOM 203 CB CYS A 15 -6.194 -28.565 -6.070 1.00 0.00 C ATOM 204 SG CYS A 15 -7.008 -28.946 -4.499 1.00 0.00 S ATOM 0 H CYS A 15 -3.907 -30.327 -4.832 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.646 -30.645 -6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.687 -27.603 -6.004 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.936 -28.480 -6.864 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.861 -28.007 -4.213 1.00 0.00 H new ATOM 210 N GLY A 16 -4.638 -28.287 -8.322 1.00 0.00 N ATOM 211 CA GLY A 16 -4.229 -28.062 -9.732 1.00 0.00 C ATOM 212 C GLY A 16 -3.689 -26.640 -9.895 1.00 0.00 C ATOM 213 O GLY A 16 -3.075 -26.089 -9.001 1.00 0.00 O ATOM 0 H GLY A 16 -4.812 -27.441 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.466 -28.786 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.080 -28.216 -10.396 1.00 0.00 H new ATOM 217 N CYS A 17 -3.904 -26.049 -11.039 1.00 0.00 N ATOM 218 CA CYS A 17 -3.398 -24.669 -11.284 1.00 0.00 C ATOM 219 C CYS A 17 -4.281 -23.637 -10.569 1.00 0.00 C ATOM 220 O CYS A 17 -5.476 -23.811 -10.424 1.00 0.00 O ATOM 221 CB CYS A 17 -3.390 -24.403 -12.790 1.00 0.00 C ATOM 222 SG CYS A 17 -5.077 -24.086 -13.367 1.00 0.00 S ATOM 0 H CYS A 17 -4.412 -26.466 -11.819 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.386 -24.580 -10.890 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.753 -23.548 -13.014 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.971 -25.260 -13.317 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.854 -23.880 -12.345 1.00 0.00 H new ATOM 228 N ALA A 18 -3.687 -22.566 -10.117 1.00 0.00 N ATOM 229 CA ALA A 18 -4.460 -21.516 -9.395 1.00 0.00 C ATOM 230 C ALA A 18 -5.506 -20.885 -10.321 1.00 0.00 C ATOM 231 O ALA A 18 -5.290 -20.714 -11.505 1.00 0.00 O ATOM 232 CB ALA A 18 -3.496 -20.436 -8.907 1.00 0.00 C ATOM 0 H ALA A 18 -2.691 -22.372 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.974 -21.972 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.053 -19.663 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.762 -20.880 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.984 -19.993 -9.761 1.00 0.00 H new ATOM 238 N GLY A 19 -6.645 -20.536 -9.779 1.00 0.00 N ATOM 239 CA GLY A 19 -7.716 -19.918 -10.614 1.00 0.00 C ATOM 240 C GLY A 19 -8.621 -19.049 -9.733 1.00 0.00 C ATOM 241 O GLY A 19 -8.159 -18.237 -8.955 1.00 0.00 O ATOM 0 H GLY A 19 -6.879 -20.653 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.271 -19.313 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.304 -20.695 -11.102 1.00 0.00 H new ATOM 245 N GLU A 20 -9.910 -19.219 -9.858 1.00 0.00 N ATOM 246 CA GLU A 20 -10.863 -18.414 -9.042 1.00 0.00 C ATOM 247 C GLU A 20 -11.013 -19.047 -7.654 1.00 0.00 C ATOM 248 O GLU A 20 -11.666 -18.511 -6.779 1.00 0.00 O ATOM 249 CB GLU A 20 -12.221 -18.387 -9.760 1.00 0.00 C ATOM 250 CG GLU A 20 -12.784 -19.809 -9.868 1.00 0.00 C ATOM 251 CD GLU A 20 -14.106 -19.782 -10.639 1.00 0.00 C ATOM 252 OE1 GLU A 20 -14.814 -18.795 -10.526 1.00 0.00 O ATOM 253 OE2 GLU A 20 -14.391 -20.751 -11.324 1.00 0.00 O ATOM 0 H GLU A 20 -10.346 -19.886 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.491 -17.397 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.918 -17.751 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.108 -17.955 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.069 -20.456 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.940 -20.225 -8.873 1.00 0.00 H new ATOM 260 N ILE A 21 -10.410 -20.183 -7.447 1.00 0.00 N ATOM 261 CA ILE A 21 -10.510 -20.854 -6.120 1.00 0.00 C ATOM 262 C ILE A 21 -9.800 -20.005 -5.065 1.00 0.00 C ATOM 263 O ILE A 21 -10.282 -19.835 -3.961 1.00 0.00 O ATOM 264 CB ILE A 21 -9.847 -22.232 -6.190 1.00 0.00 C ATOM 265 CG1 ILE A 21 -10.425 -23.029 -7.369 1.00 0.00 C ATOM 266 CG2 ILE A 21 -10.090 -22.998 -4.885 1.00 0.00 C ATOM 267 CD1 ILE A 21 -11.957 -23.085 -7.283 1.00 0.00 C ATOM 0 H ILE A 21 -9.850 -20.678 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.560 -20.969 -5.852 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.775 -22.101 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.125 -22.567 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.018 -24.040 -7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.615 -23.977 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.667 -22.439 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.162 -23.124 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.348 -23.654 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.252 -23.568 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.360 -22.073 -7.310 1.00 0.00 H new ATOM 279 N GLY A 22 -8.646 -19.480 -5.386 1.00 0.00 N ATOM 280 CA GLY A 22 -7.901 -18.656 -4.388 1.00 0.00 C ATOM 281 C GLY A 22 -7.079 -17.578 -5.096 1.00 0.00 C ATOM 282 O GLY A 22 -7.426 -17.114 -6.165 1.00 0.00 O ATOM 0 H GLY A 22 -8.189 -19.585 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.602 -18.191 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.244 -19.294 -3.797 1.00 0.00 H new ATOM 286 N PHE A 23 -5.994 -17.166 -4.498 1.00 0.00 N ATOM 287 CA PHE A 23 -5.148 -16.107 -5.117 1.00 0.00 C ATOM 288 C PHE A 23 -4.301 -16.697 -6.252 1.00 0.00 C ATOM 289 O PHE A 23 -3.783 -17.792 -6.156 1.00 0.00 O ATOM 290 CB PHE A 23 -4.235 -15.510 -4.045 1.00 0.00 C ATOM 291 CG PHE A 23 -5.083 -14.950 -2.924 1.00 0.00 C ATOM 292 CD1 PHE A 23 -5.642 -13.671 -3.044 1.00 0.00 C ATOM 293 CD2 PHE A 23 -5.319 -15.711 -1.772 1.00 0.00 C ATOM 294 CE1 PHE A 23 -6.432 -13.152 -2.010 1.00 0.00 C ATOM 295 CE2 PHE A 23 -6.108 -15.191 -0.738 1.00 0.00 C ATOM 296 CZ PHE A 23 -6.666 -13.912 -0.858 1.00 0.00 C ATOM 0 H PHE A 23 -5.656 -17.520 -3.603 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.789 -15.329 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.560 -16.274 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.615 -14.724 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.464 -13.085 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.892 -16.699 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.861 -12.165 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.286 -15.776 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.277 -13.512 -0.062 1.00 0.00 H new ATOM 306 N ILE A 24 -4.158 -15.964 -7.327 1.00 0.00 N ATOM 307 CA ILE A 24 -3.348 -16.452 -8.480 1.00 0.00 C ATOM 308 C ILE A 24 -1.881 -16.066 -8.278 1.00 0.00 C ATOM 309 O ILE A 24 -0.998 -16.564 -8.948 1.00 0.00 O ATOM 310 CB ILE A 24 -3.881 -15.814 -9.769 1.00 0.00 C ATOM 311 CG1 ILE A 24 -3.822 -14.284 -9.667 1.00 0.00 C ATOM 312 CG2 ILE A 24 -5.329 -16.239 -9.971 1.00 0.00 C ATOM 313 CD1 ILE A 24 -4.234 -13.666 -11.006 1.00 0.00 C ATOM 0 H ILE A 24 -4.572 -15.041 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.422 -17.537 -8.551 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.268 -16.142 -10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.485 -13.936 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.814 -13.965 -9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.716 -15.790 -10.886 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.382 -17.325 -10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.927 -15.907 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.192 -12.579 -10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.553 -14.004 -11.787 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.250 -13.974 -11.252 1.00 0.00 H new ATOM 325 N ILE A 25 -1.617 -15.168 -7.369 1.00 0.00 N ATOM 326 CA ILE A 25 -0.212 -14.737 -7.141 1.00 0.00 C ATOM 327 C ILE A 25 0.540 -15.792 -6.316 1.00 0.00 C ATOM 328 O ILE A 25 1.424 -16.468 -6.806 1.00 0.00 O ATOM 329 CB ILE A 25 -0.206 -13.402 -6.386 1.00 0.00 C ATOM 330 CG1 ILE A 25 -0.846 -12.317 -7.258 1.00 0.00 C ATOM 331 CG2 ILE A 25 1.234 -13.001 -6.043 1.00 0.00 C ATOM 332 CD1 ILE A 25 -1.082 -11.052 -6.424 1.00 0.00 C ATOM 0 H ILE A 25 -2.313 -14.716 -6.776 1.00 0.00 H new ATOM 0 HA ILE A 25 0.284 -14.620 -8.104 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.776 -13.511 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.199 -12.090 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.791 -12.676 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.230 -12.052 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.686 -13.770 -5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.811 -12.896 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.537 -10.284 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.747 -11.284 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.130 -10.688 -6.038 1.00 0.00 H new ATOM 344 N ARG A 26 0.199 -15.923 -5.059 1.00 0.00 N ATOM 345 CA ARG A 26 0.888 -16.917 -4.175 1.00 0.00 C ATOM 346 C ARG A 26 2.404 -16.867 -4.409 1.00 0.00 C ATOM 347 O ARG A 26 2.978 -17.696 -5.091 1.00 0.00 O ATOM 348 CB ARG A 26 0.345 -18.324 -4.454 1.00 0.00 C ATOM 349 CG ARG A 26 0.990 -19.330 -3.489 1.00 0.00 C ATOM 350 CD ARG A 26 0.423 -20.732 -3.748 1.00 0.00 C ATOM 351 NE ARG A 26 0.925 -21.675 -2.705 1.00 0.00 N ATOM 352 CZ ARG A 26 0.833 -22.969 -2.879 1.00 0.00 C ATOM 353 NH1 ARG A 26 0.306 -23.447 -3.973 1.00 0.00 N ATOM 354 NH2 ARG A 26 1.270 -23.782 -1.959 1.00 0.00 N ATOM 0 H ARG A 26 -0.533 -15.380 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 26 0.692 -16.667 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.739 -18.336 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.556 -18.608 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.072 -19.334 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.797 -19.034 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.667 -20.703 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.719 -21.078 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 26 1.343 -21.308 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.035 -22.812 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.235 -24.456 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.683 -23.410 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.199 -24.791 -2.094 1.00 0.00 H new ATOM 368 N GLU A 27 3.048 -15.887 -3.833 1.00 0.00 N ATOM 369 CA GLU A 27 4.523 -15.740 -3.988 1.00 0.00 C ATOM 370 C GLU A 27 4.877 -15.720 -5.480 1.00 0.00 C ATOM 371 O GLU A 27 5.598 -16.564 -5.977 1.00 0.00 O ATOM 372 CB GLU A 27 5.236 -16.899 -3.283 1.00 0.00 C ATOM 373 CG GLU A 27 6.737 -16.606 -3.213 1.00 0.00 C ATOM 374 CD GLU A 27 7.439 -17.715 -2.427 1.00 0.00 C ATOM 375 OE1 GLU A 27 6.808 -18.729 -2.180 1.00 0.00 O ATOM 376 OE2 GLU A 27 8.595 -17.530 -2.083 1.00 0.00 O ATOM 0 H GLU A 27 2.607 -15.173 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 27 4.849 -14.804 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.833 -17.031 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.061 -17.830 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.152 -16.540 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.908 -15.642 -2.734 1.00 0.00 H new ATOM 383 N GLY A 28 4.363 -14.752 -6.197 1.00 0.00 N ATOM 384 CA GLY A 28 4.652 -14.649 -7.659 1.00 0.00 C ATOM 385 C GLY A 28 5.823 -13.688 -7.887 1.00 0.00 C ATOM 386 O GLY A 28 5.703 -12.495 -7.694 1.00 0.00 O ATOM 0 H GLY A 28 3.751 -14.024 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.892 -15.633 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.769 -14.294 -8.190 1.00 0.00 H new ATOM 390 N ASP A 29 6.949 -14.208 -8.301 1.00 0.00 N ATOM 391 CA ASP A 29 8.147 -13.349 -8.554 1.00 0.00 C ATOM 392 C ASP A 29 8.278 -12.267 -7.470 1.00 0.00 C ATOM 393 O ASP A 29 8.061 -11.093 -7.706 1.00 0.00 O ATOM 394 CB ASP A 29 8.039 -12.709 -9.942 1.00 0.00 C ATOM 395 CG ASP A 29 9.390 -12.099 -10.327 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.377 -12.457 -9.705 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.415 -11.289 -11.238 1.00 0.00 O ATOM 0 H ASP A 29 7.092 -15.202 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 29 9.041 -13.971 -8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.742 -13.457 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.267 -11.939 -9.941 1.00 0.00 H new ATOM 402 N ASP A 30 8.644 -12.674 -6.284 1.00 0.00 N ATOM 403 CA ASP A 30 8.816 -11.713 -5.152 1.00 0.00 C ATOM 404 C ASP A 30 7.533 -10.905 -4.927 1.00 0.00 C ATOM 405 O ASP A 30 7.085 -10.161 -5.784 1.00 0.00 O ATOM 406 CB ASP A 30 9.989 -10.774 -5.439 1.00 0.00 C ATOM 407 CG ASP A 30 10.277 -9.927 -4.196 1.00 0.00 C ATOM 408 OD1 ASP A 30 10.243 -10.478 -3.108 1.00 0.00 O ATOM 409 OD2 ASP A 30 10.530 -8.744 -4.354 1.00 0.00 O ATOM 0 H ASP A 30 8.834 -13.648 -6.047 1.00 0.00 H new ATOM 0 HA ASP A 30 9.027 -12.279 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.873 -11.351 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.754 -10.129 -6.286 1.00 0.00 H new ATOM 414 N VAL A 31 6.943 -11.048 -3.764 1.00 0.00 N ATOM 415 CA VAL A 31 5.686 -10.309 -3.437 1.00 0.00 C ATOM 416 C VAL A 31 5.870 -9.529 -2.138 1.00 0.00 C ATOM 417 O VAL A 31 6.760 -9.810 -1.358 1.00 0.00 O ATOM 418 CB VAL A 31 4.542 -11.309 -3.266 1.00 0.00 C ATOM 419 CG1 VAL A 31 3.216 -10.556 -3.147 1.00 0.00 C ATOM 420 CG2 VAL A 31 4.493 -12.232 -4.483 1.00 0.00 C ATOM 0 H VAL A 31 7.285 -11.654 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 31 5.454 -9.616 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 31 4.706 -11.898 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.402 -11.270 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.250 -9.894 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.050 -9.967 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.679 -12.947 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.328 -11.639 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.437 -12.769 -4.570 1.00 0.00 H new ATOM 430 N ALA A 32 5.035 -8.544 -1.902 1.00 0.00 N ATOM 431 CA ALA A 32 5.153 -7.724 -0.657 1.00 0.00 C ATOM 432 C ALA A 32 3.803 -7.655 0.056 1.00 0.00 C ATOM 433 O ALA A 32 2.754 -7.684 -0.561 1.00 0.00 O ATOM 434 CB ALA A 32 5.603 -6.311 -1.029 1.00 0.00 C ATOM 0 H ALA A 32 4.273 -8.273 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 32 5.883 -8.184 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.691 -5.708 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.570 -6.357 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.869 -5.859 -1.697 1.00 0.00 H new ATOM 440 N GLU A 33 3.829 -7.563 1.361 1.00 0.00 N ATOM 441 CA GLU A 33 2.568 -7.492 2.153 1.00 0.00 C ATOM 442 C GLU A 33 2.344 -6.054 2.624 1.00 0.00 C ATOM 443 O GLU A 33 3.255 -5.401 3.093 1.00 0.00 O ATOM 444 CB GLU A 33 2.690 -8.416 3.367 1.00 0.00 C ATOM 445 CG GLU A 33 1.391 -8.386 4.175 1.00 0.00 C ATOM 446 CD GLU A 33 1.492 -9.361 5.349 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.389 -10.188 5.335 1.00 0.00 O ATOM 448 OE2 GLU A 33 0.670 -9.263 6.246 1.00 0.00 O ATOM 0 H GLU A 33 4.683 -7.534 1.917 1.00 0.00 H new ATOM 0 HA GLU A 33 1.725 -7.804 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.902 -9.434 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.525 -8.101 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.203 -7.377 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.549 -8.655 3.538 1.00 0.00 H new ATOM 455 N VAL A 34 1.133 -5.561 2.507 1.00 0.00 N ATOM 456 CA VAL A 34 0.830 -4.165 2.949 1.00 0.00 C ATOM 457 C VAL A 34 -0.327 -4.194 3.946 1.00 0.00 C ATOM 458 O VAL A 34 -1.357 -4.795 3.702 1.00 0.00 O ATOM 459 CB VAL A 34 0.434 -3.322 1.734 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.128 -1.971 2.196 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.668 -3.087 0.863 1.00 0.00 C ATOM 0 H VAL A 34 0.338 -6.071 2.122 1.00 0.00 H new ATOM 0 HA VAL A 34 1.711 -3.730 3.422 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.329 -3.849 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.408 -1.377 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.006 -2.136 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.630 -1.439 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.392 -2.487 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.427 -2.561 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.066 -4.045 0.529 1.00 0.00 H new ATOM 471 N SER A 35 -0.164 -3.535 5.063 1.00 0.00 N ATOM 472 CA SER A 35 -1.241 -3.496 6.093 1.00 0.00 C ATOM 473 C SER A 35 -1.427 -2.061 6.561 1.00 0.00 C ATOM 474 O SER A 35 -0.504 -1.437 7.048 1.00 0.00 O ATOM 475 CB SER A 35 -0.845 -4.374 7.275 1.00 0.00 C ATOM 476 OG SER A 35 -0.810 -5.729 6.852 1.00 0.00 O ATOM 0 H SER A 35 0.680 -3.016 5.307 1.00 0.00 H new ATOM 0 HA SER A 35 -2.174 -3.867 5.668 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.131 -4.073 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.558 -4.252 8.090 1.00 0.00 H new ATOM 0 HG SER A 35 -0.554 -6.301 7.606 1.00 0.00 H new ATOM 482 N LEU A 36 -2.617 -1.532 6.417 1.00 0.00 N ATOM 483 CA LEU A 36 -2.885 -0.126 6.851 1.00 0.00 C ATOM 484 C LEU A 36 -4.014 -0.120 7.878 1.00 0.00 C ATOM 485 O LEU A 36 -5.005 -0.811 7.735 1.00 0.00 O ATOM 486 CB LEU A 36 -3.295 0.720 5.641 1.00 0.00 C ATOM 487 CG LEU A 36 -3.480 2.189 6.063 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.144 2.789 6.541 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.009 2.990 4.868 1.00 0.00 C ATOM 0 H LEU A 36 -3.419 -2.017 6.015 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.982 0.293 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.534 0.650 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.222 0.336 5.216 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.192 2.236 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.296 3.828 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.775 2.221 7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.415 2.744 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.143 4.032 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.295 2.931 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.966 2.577 4.548 1.00 0.00 H new ATOM 501 N PHE A 37 -3.869 0.661 8.918 1.00 0.00 N ATOM 502 CA PHE A 37 -4.923 0.726 9.972 1.00 0.00 C ATOM 503 C PHE A 37 -5.739 2.009 9.798 1.00 0.00 C ATOM 504 O PHE A 37 -5.232 3.025 9.360 1.00 0.00 O ATOM 505 CB PHE A 37 -4.251 0.739 11.344 1.00 0.00 C ATOM 506 CG PHE A 37 -3.483 -0.547 11.532 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.160 -1.720 11.883 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.094 -0.566 11.354 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.448 -2.913 12.057 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.381 -1.759 11.528 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.059 -2.933 11.881 1.00 0.00 C ATOM 0 H PHE A 37 -3.060 1.260 9.082 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.582 -0.138 9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.579 1.593 11.425 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.000 0.847 12.128 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.231 -1.705 12.020 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.572 0.340 11.082 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.971 -3.819 12.327 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.310 -1.774 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.510 -3.853 12.017 1.00 0.00 H new ATOM 521 N GLY A 38 -7.001 1.975 10.134 1.00 0.00 N ATOM 522 CA GLY A 38 -7.842 3.195 9.980 1.00 0.00 C ATOM 523 C GLY A 38 -9.198 2.984 10.662 1.00 0.00 C ATOM 524 O GLY A 38 -9.414 2.004 11.349 1.00 0.00 O ATOM 0 H GLY A 38 -7.484 1.158 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.335 4.055 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.988 3.416 8.923 1.00 0.00 H new ATOM 528 N SER A 39 -10.116 3.908 10.481 1.00 0.00 N ATOM 529 CA SER A 39 -11.466 3.783 11.115 1.00 0.00 C ATOM 530 C SER A 39 -12.511 3.420 10.053 1.00 0.00 C ATOM 531 O SER A 39 -12.878 2.272 9.892 1.00 0.00 O ATOM 532 CB SER A 39 -11.847 5.126 11.740 1.00 0.00 C ATOM 533 OG SER A 39 -11.944 6.102 10.711 1.00 0.00 O ATOM 0 H SER A 39 -9.984 4.748 9.917 1.00 0.00 H new ATOM 0 HA SER A 39 -11.435 3.003 11.876 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.796 5.040 12.269 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.099 5.426 12.474 1.00 0.00 H new ATOM 0 HG SER A 39 -12.815 6.548 10.764 1.00 0.00 H new ATOM 539 N ASP A 40 -13.009 4.397 9.342 1.00 0.00 N ATOM 540 CA ASP A 40 -14.046 4.120 8.306 1.00 0.00 C ATOM 541 C ASP A 40 -13.396 3.684 6.990 1.00 0.00 C ATOM 542 O ASP A 40 -12.226 3.913 6.747 1.00 0.00 O ATOM 543 CB ASP A 40 -14.871 5.386 8.068 1.00 0.00 C ATOM 544 CG ASP A 40 -16.028 5.076 7.114 1.00 0.00 C ATOM 545 OD1 ASP A 40 -16.726 4.104 7.353 1.00 0.00 O ATOM 546 OD2 ASP A 40 -16.198 5.819 6.160 1.00 0.00 O ATOM 0 H ASP A 40 -12.741 5.377 9.435 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.688 3.314 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.258 5.763 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.240 6.169 7.648 1.00 0.00 H new ATOM 551 N LYS A 41 -14.160 3.058 6.137 1.00 0.00 N ATOM 552 CA LYS A 41 -13.622 2.601 4.823 1.00 0.00 C ATOM 553 C LYS A 41 -13.219 3.811 3.973 1.00 0.00 C ATOM 554 O LYS A 41 -12.248 3.778 3.243 1.00 0.00 O ATOM 555 CB LYS A 41 -14.705 1.811 4.094 1.00 0.00 C ATOM 556 CG LYS A 41 -14.132 1.229 2.803 1.00 0.00 C ATOM 557 CD LYS A 41 -15.190 0.357 2.123 1.00 0.00 C ATOM 558 CE LYS A 41 -14.606 -0.244 0.843 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.386 0.839 -0.159 1.00 0.00 N ATOM 0 H LYS A 41 -15.144 2.841 6.296 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.746 1.974 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.077 1.010 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.552 2.458 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.823 2.033 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.243 0.637 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.511 -0.437 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.072 0.952 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.665 -0.748 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.284 -0.996 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.850 0.584 -1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.788 1.729 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.366 0.960 -0.321 1.00 0.00 H new ATOM 573 N ALA A 42 -13.971 4.872 4.051 1.00 0.00 N ATOM 574 CA ALA A 42 -13.651 6.082 3.239 1.00 0.00 C ATOM 575 C ALA A 42 -12.223 6.551 3.537 1.00 0.00 C ATOM 576 O ALA A 42 -11.490 6.948 2.652 1.00 0.00 O ATOM 577 CB ALA A 42 -14.631 7.193 3.604 1.00 0.00 C ATOM 0 H ALA A 42 -14.797 4.955 4.644 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.732 5.840 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.407 8.083 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.649 6.865 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.539 7.426 4.665 1.00 0.00 H new ATOM 583 N HIS A 43 -11.825 6.513 4.777 1.00 0.00 N ATOM 584 CA HIS A 43 -10.448 6.957 5.134 1.00 0.00 C ATOM 585 C HIS A 43 -9.420 5.993 4.526 1.00 0.00 C ATOM 586 O HIS A 43 -8.392 6.398 4.018 1.00 0.00 O ATOM 587 CB HIS A 43 -10.309 6.962 6.656 1.00 0.00 C ATOM 588 CG HIS A 43 -11.064 8.132 7.227 1.00 0.00 C ATOM 589 ND1 HIS A 43 -12.441 8.123 7.370 1.00 0.00 N ATOM 590 CD2 HIS A 43 -10.646 9.351 7.697 1.00 0.00 C ATOM 591 CE1 HIS A 43 -12.801 9.304 7.906 1.00 0.00 C ATOM 592 NE2 HIS A 43 -11.744 10.090 8.125 1.00 0.00 N ATOM 0 H HIS A 43 -12.394 6.193 5.561 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.271 7.959 4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.695 6.030 7.070 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.257 7.023 6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.620 9.686 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -13.820 9.582 8.131 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.742 11.030 8.521 1.00 0.00 H new ATOM 600 N LEU A 44 -9.693 4.719 4.580 1.00 0.00 N ATOM 601 CA LEU A 44 -8.741 3.719 4.008 1.00 0.00 C ATOM 602 C LEU A 44 -8.628 3.926 2.495 1.00 0.00 C ATOM 603 O LEU A 44 -7.560 3.852 1.922 1.00 0.00 O ATOM 604 CB LEU A 44 -9.260 2.311 4.289 1.00 0.00 C ATOM 605 CG LEU A 44 -9.171 2.005 5.792 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.909 0.692 6.084 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.697 1.885 6.238 1.00 0.00 C ATOM 0 H LEU A 44 -10.536 4.324 4.996 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.760 3.847 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.293 2.222 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.678 1.581 3.726 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.633 2.822 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.849 0.470 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.955 0.790 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.448 -0.118 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.656 1.668 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.214 1.079 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.179 2.823 6.038 1.00 0.00 H new ATOM 619 N GLU A 45 -9.729 4.173 1.846 1.00 0.00 N ATOM 620 CA GLU A 45 -9.701 4.379 0.372 1.00 0.00 C ATOM 621 C GLU A 45 -8.833 5.599 0.044 1.00 0.00 C ATOM 622 O GLU A 45 -8.057 5.593 -0.892 1.00 0.00 O ATOM 623 CB GLU A 45 -11.128 4.629 -0.121 1.00 0.00 C ATOM 624 CG GLU A 45 -11.964 3.354 0.026 1.00 0.00 C ATOM 625 CD GLU A 45 -11.442 2.284 -0.933 1.00 0.00 C ATOM 626 OE1 GLU A 45 -10.791 2.651 -1.899 1.00 0.00 O ATOM 627 OE2 GLU A 45 -11.703 1.117 -0.691 1.00 0.00 O ATOM 0 H GLU A 45 -10.652 4.242 2.275 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.287 3.497 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.582 5.439 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.111 4.944 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.915 2.991 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.011 3.567 -0.187 1.00 0.00 H new ATOM 634 N GLY A 46 -8.965 6.647 0.807 1.00 0.00 N ATOM 635 CA GLY A 46 -8.157 7.873 0.541 1.00 0.00 C ATOM 636 C GLY A 46 -6.666 7.556 0.710 1.00 0.00 C ATOM 637 O GLY A 46 -5.857 7.841 -0.151 1.00 0.00 O ATOM 0 H GLY A 46 -9.598 6.709 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.350 8.235 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.449 8.669 1.226 1.00 0.00 H new ATOM 641 N LYS A 47 -6.303 6.961 1.811 1.00 0.00 N ATOM 642 CA LYS A 47 -4.871 6.611 2.043 1.00 0.00 C ATOM 643 C LYS A 47 -4.434 5.555 1.025 1.00 0.00 C ATOM 644 O LYS A 47 -3.310 5.544 0.562 1.00 0.00 O ATOM 645 CB LYS A 47 -4.700 6.058 3.458 1.00 0.00 C ATOM 646 CG LYS A 47 -4.923 7.176 4.480 1.00 0.00 C ATOM 647 CD LYS A 47 -4.732 6.617 5.893 1.00 0.00 C ATOM 648 CE LYS A 47 -4.862 7.747 6.917 1.00 0.00 C ATOM 649 NZ LYS A 47 -6.256 8.275 6.902 1.00 0.00 N ATOM 0 H LYS A 47 -6.938 6.700 2.565 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.257 7.504 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.409 5.248 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.701 5.638 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.223 7.992 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.926 7.588 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.475 5.845 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.753 6.146 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.612 7.380 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.157 8.545 6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.418 8.852 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.396 8.860 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.928 7.481 6.890 1.00 0.00 H new ATOM 663 N LEU A 48 -5.317 4.661 0.689 1.00 0.00 N ATOM 664 CA LEU A 48 -4.975 3.582 -0.285 1.00 0.00 C ATOM 665 C LEU A 48 -4.561 4.210 -1.619 1.00 0.00 C ATOM 666 O LEU A 48 -3.663 3.739 -2.290 1.00 0.00 O ATOM 667 CB LEU A 48 -6.206 2.696 -0.502 1.00 0.00 C ATOM 668 CG LEU A 48 -5.861 1.522 -1.434 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.794 0.621 -0.784 1.00 0.00 C ATOM 670 CD2 LEU A 48 -7.135 0.708 -1.709 1.00 0.00 C ATOM 0 H LEU A 48 -6.271 4.628 1.049 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.152 2.983 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.563 2.316 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.015 3.285 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.463 1.910 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.559 -0.206 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.892 1.203 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.175 0.227 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.898 -0.126 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.532 0.325 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.879 1.347 -2.184 1.00 0.00 H new ATOM 682 N ALA A 49 -5.219 5.260 -2.016 1.00 0.00 N ATOM 683 CA ALA A 49 -4.875 5.912 -3.311 1.00 0.00 C ATOM 684 C ALA A 49 -3.376 6.232 -3.349 1.00 0.00 C ATOM 685 O ALA A 49 -2.751 6.206 -4.392 1.00 0.00 O ATOM 686 CB ALA A 49 -5.670 7.209 -3.437 1.00 0.00 C ATOM 0 H ALA A 49 -5.982 5.697 -1.500 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.119 5.241 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.426 7.695 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.737 6.986 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.416 7.873 -2.611 1.00 0.00 H new ATOM 692 N GLU A 50 -2.797 6.536 -2.223 1.00 0.00 N ATOM 693 CA GLU A 50 -1.341 6.860 -2.194 1.00 0.00 C ATOM 694 C GLU A 50 -0.533 5.614 -2.582 1.00 0.00 C ATOM 695 O GLU A 50 0.450 5.689 -3.292 1.00 0.00 O ATOM 696 CB GLU A 50 -0.955 7.283 -0.776 1.00 0.00 C ATOM 697 CG GLU A 50 -1.688 8.573 -0.392 1.00 0.00 C ATOM 698 CD GLU A 50 -1.220 9.720 -1.285 1.00 0.00 C ATOM 699 OE1 GLU A 50 -0.018 9.911 -1.387 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.067 10.389 -1.853 1.00 0.00 O ATOM 0 H GLU A 50 -3.268 6.575 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.130 7.666 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.205 6.490 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.122 7.436 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.764 8.435 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.497 8.813 0.654 1.00 0.00 H new ATOM 707 N TYR A 51 -0.943 4.470 -2.111 1.00 0.00 N ATOM 708 CA TYR A 51 -0.211 3.213 -2.436 1.00 0.00 C ATOM 709 C TYR A 51 -0.264 2.953 -3.945 1.00 0.00 C ATOM 710 O TYR A 51 0.706 2.540 -4.552 1.00 0.00 O ATOM 711 CB TYR A 51 -0.873 2.049 -1.700 1.00 0.00 C ATOM 712 CG TYR A 51 -0.534 2.113 -0.226 1.00 0.00 C ATOM 713 CD1 TYR A 51 -1.099 3.111 0.577 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.342 1.177 0.338 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.791 3.174 1.939 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.649 1.240 1.703 1.00 0.00 C ATOM 717 CZ TYR A 51 0.085 2.240 2.502 1.00 0.00 C ATOM 718 OH TYR A 51 0.394 2.307 3.846 1.00 0.00 O ATOM 0 H TYR A 51 -1.759 4.350 -1.511 1.00 0.00 H new ATOM 0 HA TYR A 51 0.830 3.309 -2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.954 2.089 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.534 1.102 -2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.774 3.834 0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.781 0.407 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.229 3.944 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.322 0.516 2.139 1.00 0.00 H new ATOM 0 HH TYR A 51 0.813 1.467 4.128 1.00 0.00 H new ATOM 728 N ILE A 52 -1.396 3.171 -4.552 1.00 0.00 N ATOM 729 CA ILE A 52 -1.520 2.924 -6.018 1.00 0.00 C ATOM 730 C ILE A 52 -0.594 3.879 -6.777 1.00 0.00 C ATOM 731 O ILE A 52 0.101 3.495 -7.697 1.00 0.00 O ATOM 732 CB ILE A 52 -2.967 3.170 -6.447 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.917 2.371 -5.545 1.00 0.00 C ATOM 734 CG2 ILE A 52 -3.159 2.739 -7.904 1.00 0.00 C ATOM 735 CD1 ILE A 52 -3.533 0.885 -5.536 1.00 0.00 C ATOM 0 H ILE A 52 -2.243 3.510 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.240 1.895 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.190 4.233 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.882 2.767 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.942 2.485 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.192 2.917 -8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.491 3.315 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.930 1.678 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.219 0.336 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.592 0.488 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.515 0.774 -5.162 1.00 0.00 H new ATOM 747 N SER A 53 -0.589 5.129 -6.403 1.00 0.00 N ATOM 748 CA SER A 53 0.283 6.117 -7.101 1.00 0.00 C ATOM 749 C SER A 53 1.761 5.783 -6.857 1.00 0.00 C ATOM 750 O SER A 53 2.574 5.812 -7.760 1.00 0.00 O ATOM 751 CB SER A 53 -0.017 7.509 -6.553 1.00 0.00 C ATOM 752 OG SER A 53 0.213 7.514 -5.151 1.00 0.00 O ATOM 0 H SER A 53 -1.152 5.510 -5.643 1.00 0.00 H new ATOM 0 HA SER A 53 0.086 6.082 -8.172 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.616 8.250 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.050 7.783 -6.766 1.00 0.00 H new ATOM 0 HG SER A 53 0.074 6.612 -4.794 1.00 0.00 H new ATOM 758 N LEU A 54 2.113 5.476 -5.640 1.00 0.00 N ATOM 759 CA LEU A 54 3.536 5.148 -5.329 1.00 0.00 C ATOM 760 C LEU A 54 3.943 3.856 -6.045 1.00 0.00 C ATOM 761 O LEU A 54 5.030 3.737 -6.573 1.00 0.00 O ATOM 762 CB LEU A 54 3.687 4.954 -3.817 1.00 0.00 C ATOM 763 CG LEU A 54 3.505 6.293 -3.080 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.384 6.027 -1.574 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.706 7.225 -3.343 1.00 0.00 C ATOM 0 H LEU A 54 1.476 5.437 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 54 4.176 5.963 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.950 4.234 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.671 4.540 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 54 2.601 6.779 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.255 6.972 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.523 5.386 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.288 5.534 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.559 8.166 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.620 6.749 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.789 7.419 -4.412 1.00 0.00 H new ATOM 777 N ALA A 55 3.081 2.880 -6.039 1.00 0.00 N ATOM 778 CA ALA A 55 3.408 1.579 -6.692 1.00 0.00 C ATOM 779 C ALA A 55 3.663 1.774 -8.191 1.00 0.00 C ATOM 780 O ALA A 55 4.644 1.303 -8.732 1.00 0.00 O ATOM 781 CB ALA A 55 2.229 0.629 -6.504 1.00 0.00 C ATOM 0 H ALA A 55 2.158 2.926 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 55 4.309 1.168 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.453 -0.327 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.052 0.475 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.338 1.060 -6.961 1.00 0.00 H new ATOM 787 N LYS A 56 2.778 2.449 -8.868 1.00 0.00 N ATOM 788 CA LYS A 56 2.960 2.662 -10.333 1.00 0.00 C ATOM 789 C LYS A 56 4.197 3.526 -10.588 1.00 0.00 C ATOM 790 O LYS A 56 4.991 3.253 -11.467 1.00 0.00 O ATOM 791 CB LYS A 56 1.724 3.364 -10.891 1.00 0.00 C ATOM 792 CG LYS A 56 0.528 2.410 -10.848 1.00 0.00 C ATOM 793 CD LYS A 56 -0.716 3.123 -11.383 1.00 0.00 C ATOM 794 CE LYS A 56 -1.906 2.164 -11.356 1.00 0.00 C ATOM 795 NZ LYS A 56 -3.120 2.861 -11.866 1.00 0.00 N ATOM 0 H LYS A 56 1.935 2.864 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 56 3.094 1.699 -10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.508 4.260 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.908 3.686 -11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.736 1.522 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.355 2.073 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.932 4.004 -10.778 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.539 3.471 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.694 1.287 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.078 1.810 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.929 2.208 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.326 3.684 -11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.954 3.178 -12.842 1.00 0.00 H new ATOM 809 N GLN A 57 4.363 4.569 -9.825 1.00 0.00 N ATOM 810 CA GLN A 57 5.546 5.455 -10.021 1.00 0.00 C ATOM 811 C GLN A 57 6.819 4.682 -9.679 1.00 0.00 C ATOM 812 O GLN A 57 7.792 4.698 -10.409 1.00 0.00 O ATOM 813 CB GLN A 57 5.422 6.659 -9.090 1.00 0.00 C ATOM 814 CG GLN A 57 6.617 7.593 -9.291 1.00 0.00 C ATOM 815 CD GLN A 57 6.414 8.870 -8.474 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.314 9.168 -8.051 1.00 0.00 O ATOM 817 NE2 GLN A 57 7.437 9.642 -8.230 1.00 0.00 N ATOM 0 H GLN A 57 3.732 4.847 -9.074 1.00 0.00 H new ATOM 0 HA GLN A 57 5.591 5.790 -11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.493 7.193 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.379 6.326 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.536 7.095 -8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.726 7.839 -10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.360 9.393 -8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.314 10.495 -7.685 1.00 0.00 H new ATOM 826 N VAL A 58 6.816 4.007 -8.566 1.00 0.00 N ATOM 827 CA VAL A 58 8.015 3.227 -8.155 1.00 0.00 C ATOM 828 C VAL A 58 8.264 2.090 -9.149 1.00 0.00 C ATOM 829 O VAL A 58 9.384 1.854 -9.561 1.00 0.00 O ATOM 830 CB VAL A 58 7.774 2.646 -6.759 1.00 0.00 C ATOM 831 CG1 VAL A 58 8.876 1.639 -6.411 1.00 0.00 C ATOM 832 CG2 VAL A 58 7.774 3.779 -5.725 1.00 0.00 C ATOM 0 H VAL A 58 6.029 3.961 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 58 8.888 3.879 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 58 6.809 2.138 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.696 1.231 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.873 0.829 -7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.844 2.139 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.602 3.365 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.737 4.289 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.982 4.489 -5.964 1.00 0.00 H new ATOM 842 N TYR A 59 7.233 1.372 -9.525 1.00 0.00 N ATOM 843 CA TYR A 59 7.411 0.233 -10.482 1.00 0.00 C ATOM 844 C TYR A 59 6.368 0.318 -11.598 1.00 0.00 C ATOM 845 O TYR A 59 5.177 0.361 -11.359 1.00 0.00 O ATOM 846 CB TYR A 59 7.262 -1.087 -9.729 1.00 0.00 C ATOM 847 CG TYR A 59 7.638 -2.220 -10.648 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.969 -2.641 -10.728 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.658 -2.849 -11.416 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.320 -3.691 -11.584 1.00 0.00 C ATOM 851 CE2 TYR A 59 7.005 -3.900 -12.273 1.00 0.00 C ATOM 852 CZ TYR A 59 8.338 -4.322 -12.356 1.00 0.00 C ATOM 853 OH TYR A 59 8.681 -5.358 -13.200 1.00 0.00 O ATOM 0 H TYR A 59 6.275 1.525 -9.211 1.00 0.00 H new ATOM 0 HA TYR A 59 8.405 0.287 -10.927 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.901 -1.091 -8.846 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.236 -1.209 -9.381 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.726 -2.156 -10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.630 -2.525 -11.349 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.348 -4.014 -11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.246 -4.385 -12.869 1.00 0.00 H new ATOM 0 HH TYR A 59 7.880 -5.684 -13.661 1.00 0.00 H new ATOM 863 N ALA A 60 6.823 0.346 -12.820 1.00 0.00 N ATOM 864 CA ALA A 60 5.896 0.437 -13.984 1.00 0.00 C ATOM 865 C ALA A 60 5.047 -0.832 -14.107 1.00 0.00 C ATOM 866 O ALA A 60 5.475 -1.916 -13.764 1.00 0.00 O ATOM 867 CB ALA A 60 6.717 0.616 -15.257 1.00 0.00 C ATOM 0 H ALA A 60 7.812 0.309 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 60 5.229 1.287 -13.836 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.048 0.684 -16.115 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.307 1.530 -15.184 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.384 -0.237 -15.383 1.00 0.00 H new ATOM 873 N ASN A 61 3.841 -0.686 -14.596 1.00 0.00 N ATOM 874 CA ASN A 61 2.930 -1.860 -14.765 1.00 0.00 C ATOM 875 C ASN A 61 2.986 -2.732 -13.510 1.00 0.00 C ATOM 876 O ASN A 61 3.216 -3.926 -13.570 1.00 0.00 O ATOM 877 CB ASN A 61 3.327 -2.664 -16.013 1.00 0.00 C ATOM 878 CG ASN A 61 4.736 -3.235 -15.860 1.00 0.00 C ATOM 879 OD1 ASN A 61 5.713 -2.533 -16.038 1.00 0.00 O ATOM 880 ND2 ASN A 61 4.886 -4.492 -15.544 1.00 0.00 N ATOM 0 H ASN A 61 3.444 0.207 -14.889 1.00 0.00 H new ATOM 0 HA ASN A 61 1.907 -1.511 -14.903 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.616 -3.475 -16.171 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.282 -2.024 -16.894 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.822 -4.885 -15.446 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.067 -5.082 -15.395 1.00 0.00 H new ATOM 887 N VAL A 62 2.777 -2.132 -12.371 1.00 0.00 N ATOM 888 CA VAL A 62 2.817 -2.900 -11.096 1.00 0.00 C ATOM 889 C VAL A 62 1.504 -3.659 -10.904 1.00 0.00 C ATOM 890 O VAL A 62 0.435 -3.157 -11.198 1.00 0.00 O ATOM 891 CB VAL A 62 3.044 -1.940 -9.926 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.865 -0.970 -9.803 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.183 -2.742 -8.628 1.00 0.00 C ATOM 0 H VAL A 62 2.579 -1.137 -12.269 1.00 0.00 H new ATOM 0 HA VAL A 62 3.636 -3.618 -11.134 1.00 0.00 H new ATOM 0 HB VAL A 62 3.955 -1.370 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.037 -0.292 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.770 -0.394 -10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.948 -1.533 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.345 -2.059 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.273 -3.316 -8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.031 -3.422 -8.710 1.00 0.00 H new ATOM 903 N GLU A 63 1.585 -4.871 -10.416 1.00 0.00 N ATOM 904 CA GLU A 63 0.358 -5.696 -10.201 1.00 0.00 C ATOM 905 C GLU A 63 0.103 -5.852 -8.705 1.00 0.00 C ATOM 906 O GLU A 63 0.993 -6.163 -7.936 1.00 0.00 O ATOM 907 CB GLU A 63 0.566 -7.071 -10.833 1.00 0.00 C ATOM 908 CG GLU A 63 0.610 -6.918 -12.352 1.00 0.00 C ATOM 909 CD GLU A 63 0.880 -8.275 -13.002 1.00 0.00 C ATOM 910 OE1 GLU A 63 0.973 -9.250 -12.275 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.987 -8.316 -14.217 1.00 0.00 O ATOM 0 H GLU A 63 2.458 -5.329 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.501 -5.207 -10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.494 -7.515 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.242 -7.744 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.335 -6.513 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.389 -6.209 -12.633 1.00 0.00 H new ATOM 918 N TYR A 64 -1.114 -5.633 -8.284 1.00 0.00 N ATOM 919 CA TYR A 64 -1.448 -5.760 -6.839 1.00 0.00 C ATOM 920 C TYR A 64 -2.888 -6.241 -6.689 1.00 0.00 C ATOM 921 O TYR A 64 -3.669 -6.199 -7.619 1.00 0.00 O ATOM 922 CB TYR A 64 -1.285 -4.403 -6.151 1.00 0.00 C ATOM 923 CG TYR A 64 -2.210 -3.386 -6.783 1.00 0.00 C ATOM 924 CD1 TYR A 64 -1.787 -2.657 -7.903 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.482 -3.161 -6.243 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.638 -1.707 -8.483 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.332 -2.210 -6.821 1.00 0.00 C ATOM 928 CZ TYR A 64 -3.910 -1.483 -7.941 1.00 0.00 C ATOM 929 OH TYR A 64 -4.747 -0.543 -8.509 1.00 0.00 O ATOM 0 H TYR A 64 -1.895 -5.370 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.775 -6.481 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.506 -4.496 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.251 -4.067 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.805 -2.828 -8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.808 -3.722 -5.379 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.313 -1.148 -9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.313 -2.037 -6.403 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.591 -0.514 -8.012 1.00 0.00 H new ATOM 939 N GLU A 65 -3.245 -6.699 -5.520 1.00 0.00 N ATOM 940 CA GLU A 65 -4.634 -7.188 -5.283 1.00 0.00 C ATOM 941 C GLU A 65 -5.104 -6.722 -3.910 1.00 0.00 C ATOM 942 O GLU A 65 -4.311 -6.515 -3.010 1.00 0.00 O ATOM 943 CB GLU A 65 -4.654 -8.715 -5.347 1.00 0.00 C ATOM 944 CG GLU A 65 -4.436 -9.157 -6.793 1.00 0.00 C ATOM 945 CD GLU A 65 -4.343 -10.682 -6.858 1.00 0.00 C ATOM 946 OE1 GLU A 65 -4.479 -11.309 -5.820 1.00 0.00 O ATOM 947 OE2 GLU A 65 -4.137 -11.197 -7.945 1.00 0.00 O ATOM 0 H GLU A 65 -2.627 -6.756 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.300 -6.789 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.876 -9.129 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.607 -9.095 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.257 -8.806 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.523 -8.710 -7.186 1.00 0.00 H new ATOM 954 N VAL A 66 -6.393 -6.547 -3.744 1.00 0.00 N ATOM 955 CA VAL A 66 -6.943 -6.081 -2.435 1.00 0.00 C ATOM 956 C VAL A 66 -7.982 -7.079 -1.930 1.00 0.00 C ATOM 957 O VAL A 66 -8.881 -7.479 -2.646 1.00 0.00 O ATOM 958 CB VAL A 66 -7.587 -4.703 -2.611 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.573 -4.731 -3.782 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.331 -4.316 -1.325 1.00 0.00 C ATOM 0 H VAL A 66 -7.093 -6.709 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.135 -6.009 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.808 -3.970 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.026 -3.747 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.044 -4.999 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.352 -5.468 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.789 -3.335 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.105 -5.054 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.627 -4.284 -0.493 1.00 0.00 H new ATOM 970 N ALA A 67 -7.859 -7.481 -0.697 1.00 0.00 N ATOM 971 CA ALA A 67 -8.824 -8.455 -0.122 1.00 0.00 C ATOM 972 C ALA A 67 -10.143 -7.739 0.217 1.00 0.00 C ATOM 973 O ALA A 67 -10.234 -6.530 0.143 1.00 0.00 O ATOM 974 CB ALA A 67 -8.215 -9.096 1.141 1.00 0.00 C ATOM 0 H ALA A 67 -7.125 -7.174 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.032 -9.240 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.922 -9.810 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.291 -9.612 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.001 -8.320 1.876 1.00 0.00 H new ATOM 980 N PRO A 68 -11.156 -8.484 0.591 1.00 0.00 N ATOM 981 CA PRO A 68 -12.492 -7.908 0.949 1.00 0.00 C ATOM 982 C PRO A 68 -12.393 -6.833 2.044 1.00 0.00 C ATOM 983 O PRO A 68 -11.655 -6.971 3.002 1.00 0.00 O ATOM 984 CB PRO A 68 -13.285 -9.126 1.462 1.00 0.00 C ATOM 985 CG PRO A 68 -12.627 -10.310 0.834 1.00 0.00 C ATOM 986 CD PRO A 68 -11.148 -9.954 0.710 1.00 0.00 C ATOM 0 HA PRO A 68 -12.957 -7.407 0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.253 -9.188 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.335 -9.061 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.763 -11.202 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.060 -10.524 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.582 -10.283 1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.694 -10.425 -0.162 1.00 0.00 H new ATOM 994 N VAL A 69 -13.141 -5.765 1.901 1.00 0.00 N ATOM 995 CA VAL A 69 -13.118 -4.667 2.919 1.00 0.00 C ATOM 996 C VAL A 69 -14.547 -4.334 3.345 1.00 0.00 C ATOM 997 O VAL A 69 -15.428 -4.163 2.523 1.00 0.00 O ATOM 998 CB VAL A 69 -12.475 -3.429 2.310 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.427 -2.316 3.358 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -11.057 -3.770 1.856 1.00 0.00 C ATOM 0 H VAL A 69 -13.772 -5.606 1.116 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.545 -4.990 3.788 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.059 -3.093 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.967 -1.428 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.440 -2.078 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.840 -2.648 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.592 -2.886 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.471 -4.102 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.095 -4.566 1.112 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.783 -4.239 4.624 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.152 -3.918 5.114 1.00 0.00 C ATOM 1012 C ALA A 70 -16.343 -2.400 5.168 1.00 0.00 C ATOM 1013 O ALA A 70 -15.398 -1.637 5.130 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.333 -4.502 6.515 1.00 0.00 C ATOM 0 H ALA A 70 -14.083 -4.371 5.354 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.889 -4.347 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.334 -4.270 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.202 -5.583 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.593 -4.069 7.188 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.569 -1.960 5.254 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.850 -0.497 5.310 1.00 0.00 C ATOM 1022 C ASP A 71 -17.230 0.097 6.584 1.00 0.00 C ATOM 1023 O ASP A 71 -16.679 1.182 6.574 1.00 0.00 O ATOM 1024 CB ASP A 71 -19.367 -0.292 5.342 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.949 -0.422 3.931 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -19.175 -0.553 2.997 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -21.162 -0.391 3.810 1.00 0.00 O ATOM 0 H ASP A 71 -18.395 -2.557 5.288 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.422 -0.002 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.827 -1.028 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.600 0.692 5.750 1.00 0.00 H new ATOM 1032 N ASN A 72 -17.332 -0.605 7.681 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.771 -0.094 8.967 1.00 0.00 C ATOM 1034 C ASN A 72 -15.410 -0.748 9.223 1.00 0.00 C ATOM 1035 O ASN A 72 -14.923 -0.778 10.336 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.736 -0.445 10.103 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.004 0.407 9.977 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -18.996 1.435 9.328 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -20.101 0.020 10.570 1.00 0.00 N ATOM 0 H ASN A 72 -17.783 -1.518 7.742 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.644 0.987 8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.991 -1.504 10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.260 -0.267 11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.950 0.580 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -20.109 -0.842 11.115 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.796 -1.280 8.200 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.475 -1.946 8.388 1.00 0.00 C ATOM 1048 C ALA A 73 -12.497 -0.988 9.073 1.00 0.00 C ATOM 1049 O ALA A 73 -12.444 0.188 8.768 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.912 -2.352 7.023 1.00 0.00 C ATOM 0 H ALA A 73 -15.152 -1.282 7.244 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.607 -2.830 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.946 -2.839 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.601 -3.042 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.787 -1.465 6.402 1.00 0.00 H new ATOM 1056 N THR A 74 -11.713 -1.495 9.994 1.00 0.00 N ATOM 1057 CA THR A 74 -10.720 -0.640 10.711 1.00 0.00 C ATOM 1058 C THR A 74 -9.315 -0.996 10.221 1.00 0.00 C ATOM 1059 O THR A 74 -8.333 -0.410 10.635 1.00 0.00 O ATOM 1060 CB THR A 74 -10.824 -0.901 12.220 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.530 -2.264 12.489 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.243 -0.581 12.697 1.00 0.00 C ATOM 0 H THR A 74 -11.720 -2.474 10.281 1.00 0.00 H new ATOM 0 HA THR A 74 -10.921 0.413 10.514 1.00 0.00 H new ATOM 0 HB THR A 74 -10.111 -0.266 12.747 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.595 -2.429 13.453 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.317 -0.766 13.769 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.468 0.466 12.493 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.956 -1.215 12.169 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.211 -1.946 9.325 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.871 -2.337 8.789 1.00 0.00 C ATOM 1072 C GLU A 75 -7.993 -2.647 7.305 1.00 0.00 C ATOM 1073 O GLU A 75 -9.068 -2.922 6.807 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.351 -3.578 9.524 1.00 0.00 C ATOM 1075 CG GLU A 75 -8.309 -4.754 9.313 1.00 0.00 C ATOM 1076 CD GLU A 75 -7.823 -5.956 10.124 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -6.618 -6.099 10.267 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -8.659 -6.711 10.587 1.00 0.00 O ATOM 0 H GLU A 75 -9.998 -2.469 8.941 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.173 -1.514 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.358 -3.838 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.253 -3.365 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.317 -4.476 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.359 -5.011 8.255 1.00 0.00 H new ATOM 1085 N LEU A 76 -6.896 -2.614 6.593 1.00 0.00 N ATOM 1086 CA LEU A 76 -6.933 -2.915 5.132 1.00 0.00 C ATOM 1087 C LEU A 76 -5.858 -3.947 4.809 1.00 0.00 C ATOM 1088 O LEU A 76 -4.709 -3.801 5.188 1.00 0.00 O ATOM 1089 CB LEU A 76 -6.653 -1.637 4.342 1.00 0.00 C ATOM 1090 CG LEU A 76 -6.954 -1.871 2.847 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.429 -1.582 2.558 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.091 -0.945 1.988 1.00 0.00 C ATOM 0 H LEU A 76 -5.972 -2.390 6.963 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.915 -3.303 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.267 -0.821 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.612 -1.339 4.471 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.729 -2.910 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.632 -1.750 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.054 -2.244 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.653 -0.546 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.310 -1.117 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.310 0.093 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.037 -1.150 2.178 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.225 -4.986 4.105 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.247 -6.051 3.735 1.00 0.00 C ATOM 1106 C HIS A 77 -5.067 -6.057 2.220 1.00 0.00 C ATOM 1107 O HIS A 77 -5.979 -6.366 1.477 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.788 -7.405 4.189 1.00 0.00 C ATOM 1109 CG HIS A 77 -4.723 -8.451 4.019 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.559 -9.154 2.837 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.758 -8.920 4.873 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -3.529 -10.002 3.009 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -3.004 -9.901 4.233 1.00 0.00 N ATOM 0 H HIS A 77 -7.174 -5.143 3.766 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.288 -5.861 4.217 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.099 -7.353 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.670 -7.670 3.606 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.606 -8.581 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.170 -10.682 2.250 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.220 -10.429 4.617 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.895 -5.712 1.754 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.641 -5.688 0.283 1.00 0.00 C ATOM 1123 C ALA A 78 -2.292 -6.326 -0.005 1.00 0.00 C ATOM 1124 O ALA A 78 -1.447 -6.427 0.863 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.631 -4.240 -0.209 1.00 0.00 C ATOM 0 H ALA A 78 -3.099 -5.444 2.333 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.426 -6.242 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.446 -4.222 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.596 -3.778 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.845 -3.687 0.304 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.088 -6.763 -1.221 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.795 -7.408 -1.592 1.00 0.00 C ATOM 1133 C ARG A 79 -0.232 -6.727 -2.837 1.00 0.00 C ATOM 1134 O ARG A 79 -0.960 -6.373 -3.744 1.00 0.00 O ATOM 1135 CB ARG A 79 -1.034 -8.892 -1.886 1.00 0.00 C ATOM 1136 CG ARG A 79 0.307 -9.652 -1.901 1.00 0.00 C ATOM 1137 CD ARG A 79 0.668 -10.108 -0.480 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.276 -11.172 -0.044 1.00 0.00 N ATOM 1139 CZ ARG A 79 -0.415 -11.451 1.225 1.00 0.00 C ATOM 1140 NH1 ARG A 79 0.252 -10.775 2.122 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -1.229 -12.398 1.597 1.00 0.00 N ATOM 0 H ARG A 79 -2.768 -6.700 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.086 -7.310 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.694 -9.319 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.535 -9.004 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.238 -10.516 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.094 -9.010 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.691 -10.483 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.622 -9.263 0.207 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.817 -11.686 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.883 -10.028 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.142 -10.995 3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.757 -12.921 0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.338 -12.617 2.587 1.00 0.00 H new ATOM 1155 N PHE A 80 1.063 -6.543 -2.881 1.00 0.00 N ATOM 1156 CA PHE A 80 1.705 -5.883 -4.057 1.00 0.00 C ATOM 1157 C PHE A 80 2.811 -6.780 -4.600 1.00 0.00 C ATOM 1158 O PHE A 80 3.471 -7.489 -3.865 1.00 0.00 O ATOM 1159 CB PHE A 80 2.301 -4.545 -3.615 1.00 0.00 C ATOM 1160 CG PHE A 80 1.194 -3.534 -3.450 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.419 -3.522 -2.285 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.933 -2.615 -4.473 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.614 -2.588 -2.141 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.099 -1.682 -4.331 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.873 -1.669 -3.166 1.00 0.00 C ATOM 0 H PHE A 80 1.709 -6.825 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 80 0.963 -5.714 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.840 -4.667 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.022 -4.194 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.618 -4.233 -1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.529 -2.626 -5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.210 -2.576 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.298 -0.972 -5.120 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.671 -0.950 -3.057 1.00 0.00 H new ATOM 1175 N LYS A 81 3.011 -6.753 -5.892 1.00 0.00 N ATOM 1176 CA LYS A 81 4.065 -7.597 -6.521 1.00 0.00 C ATOM 1177 C LYS A 81 5.207 -6.711 -7.004 1.00 0.00 C ATOM 1178 O LYS A 81 4.999 -5.749 -7.719 1.00 0.00 O ATOM 1179 CB LYS A 81 3.462 -8.344 -7.703 1.00 0.00 C ATOM 1180 CG LYS A 81 4.515 -9.268 -8.311 1.00 0.00 C ATOM 1181 CD LYS A 81 3.872 -10.105 -9.423 1.00 0.00 C ATOM 1182 CE LYS A 81 2.808 -11.054 -8.838 1.00 0.00 C ATOM 1183 NZ LYS A 81 1.475 -10.391 -8.899 1.00 0.00 N ATOM 0 H LYS A 81 2.481 -6.174 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 81 4.450 -8.311 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.598 -8.924 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.108 -7.636 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.342 -8.682 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.930 -9.920 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.414 -9.448 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.638 -10.683 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.789 -11.988 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.055 -11.306 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.058 -10.362 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.586 -9.421 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.850 -10.926 -9.535 1.00 0.00 H new ATOM 1197 N PHE A 82 6.415 -7.029 -6.612 1.00 0.00 N ATOM 1198 CA PHE A 82 7.595 -6.218 -7.029 1.00 0.00 C ATOM 1199 C PHE A 82 8.626 -7.121 -7.698 1.00 0.00 C ATOM 1200 O PHE A 82 8.774 -8.278 -7.357 1.00 0.00 O ATOM 1201 CB PHE A 82 8.209 -5.554 -5.796 1.00 0.00 C ATOM 1202 CG PHE A 82 7.292 -4.451 -5.318 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.262 -3.227 -5.997 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.471 -4.651 -4.201 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.416 -2.203 -5.561 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.622 -3.626 -3.764 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.596 -2.402 -4.444 1.00 0.00 C ATOM 0 H PHE A 82 6.634 -7.826 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 82 7.282 -5.451 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.354 -6.291 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.191 -5.148 -6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.894 -3.074 -6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.492 -5.595 -3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.395 -1.259 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.988 -3.780 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.943 -1.611 -4.106 1.00 0.00 H new ATOM 1217 N GLU A 83 9.337 -6.597 -8.654 1.00 0.00 N ATOM 1218 CA GLU A 83 10.362 -7.407 -9.360 1.00 0.00 C ATOM 1219 C GLU A 83 11.505 -7.742 -8.402 1.00 0.00 C ATOM 1220 O GLU A 83 12.071 -8.818 -8.453 1.00 0.00 O ATOM 1221 CB GLU A 83 10.912 -6.599 -10.537 1.00 0.00 C ATOM 1222 CG GLU A 83 11.892 -7.455 -11.341 1.00 0.00 C ATOM 1223 CD GLU A 83 12.415 -6.651 -12.535 1.00 0.00 C ATOM 1224 OE1 GLU A 83 12.193 -5.452 -12.562 1.00 0.00 O ATOM 1225 OE2 GLU A 83 13.030 -7.251 -13.402 1.00 0.00 O ATOM 0 H GLU A 83 9.250 -5.634 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 83 9.911 -8.332 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.094 -6.269 -11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.413 -5.702 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.723 -7.767 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.398 -8.362 -11.689 1.00 0.00 H new ATOM 1232 N VAL A 84 11.863 -6.825 -7.535 1.00 0.00 N ATOM 1233 CA VAL A 84 12.986 -7.090 -6.582 1.00 0.00 C ATOM 1234 C VAL A 84 12.627 -6.594 -5.182 1.00 0.00 C ATOM 1235 O VAL A 84 11.723 -5.803 -4.994 1.00 0.00 O ATOM 1236 CB VAL A 84 14.247 -6.372 -7.070 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.610 -6.871 -8.472 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.002 -4.862 -7.108 1.00 0.00 C ATOM 0 H VAL A 84 11.427 -5.907 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 84 13.165 -8.164 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 84 15.069 -6.583 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.508 -6.360 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.794 -7.945 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.787 -6.664 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.903 -4.356 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.178 -4.644 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.751 -4.509 -6.108 1.00 0.00 H new ATOM 1248 N SER A 85 13.342 -7.065 -4.200 1.00 0.00 N ATOM 1249 CA SER A 85 13.085 -6.647 -2.793 1.00 0.00 C ATOM 1250 C SER A 85 13.501 -5.182 -2.595 1.00 0.00 C ATOM 1251 O SER A 85 13.134 -4.549 -1.625 1.00 0.00 O ATOM 1252 CB SER A 85 13.898 -7.546 -1.863 1.00 0.00 C ATOM 1253 OG SER A 85 15.274 -7.435 -2.200 1.00 0.00 O ATOM 0 H SER A 85 14.105 -7.732 -4.314 1.00 0.00 H new ATOM 0 HA SER A 85 12.022 -6.740 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.740 -7.255 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.569 -8.581 -1.957 1.00 0.00 H new ATOM 0 HG SER A 85 15.803 -8.008 -1.607 1.00 0.00 H new ATOM 1259 N ALA A 86 14.272 -4.644 -3.498 1.00 0.00 N ATOM 1260 CA ALA A 86 14.714 -3.223 -3.350 1.00 0.00 C ATOM 1261 C ALA A 86 13.494 -2.295 -3.385 1.00 0.00 C ATOM 1262 O ALA A 86 13.401 -1.342 -2.637 1.00 0.00 O ATOM 1263 CB ALA A 86 15.664 -2.871 -4.499 1.00 0.00 C ATOM 0 H ALA A 86 14.616 -5.122 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 86 15.229 -3.097 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.990 -1.836 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.532 -3.530 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.147 -2.997 -5.450 1.00 0.00 H new ATOM 1269 N GLU A 87 12.561 -2.572 -4.251 1.00 0.00 N ATOM 1270 CA GLU A 87 11.343 -1.716 -4.342 1.00 0.00 C ATOM 1271 C GLU A 87 10.489 -1.935 -3.088 1.00 0.00 C ATOM 1272 O GLU A 87 9.786 -1.053 -2.638 1.00 0.00 O ATOM 1273 CB GLU A 87 10.551 -2.101 -5.607 1.00 0.00 C ATOM 1274 CG GLU A 87 10.948 -1.203 -6.787 1.00 0.00 C ATOM 1275 CD GLU A 87 12.413 -1.446 -7.152 1.00 0.00 C ATOM 1276 OE1 GLU A 87 12.984 -2.382 -6.624 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.937 -0.685 -7.947 1.00 0.00 O ATOM 0 H GLU A 87 12.588 -3.356 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 87 11.620 -0.664 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.740 -3.145 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.482 -2.008 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.310 -1.412 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.798 -0.156 -6.526 1.00 0.00 H new ATOM 1284 N LYS A 88 10.541 -3.107 -2.528 1.00 0.00 N ATOM 1285 CA LYS A 88 9.735 -3.383 -1.309 1.00 0.00 C ATOM 1286 C LYS A 88 10.198 -2.463 -0.177 1.00 0.00 C ATOM 1287 O LYS A 88 9.403 -1.856 0.512 1.00 0.00 O ATOM 1288 CB LYS A 88 9.941 -4.839 -0.894 1.00 0.00 C ATOM 1289 CG LYS A 88 9.056 -5.166 0.312 1.00 0.00 C ATOM 1290 CD LYS A 88 9.243 -6.635 0.703 1.00 0.00 C ATOM 1291 CE LYS A 88 8.387 -6.946 1.935 1.00 0.00 C ATOM 1292 NZ LYS A 88 6.949 -6.752 1.601 1.00 0.00 N ATOM 0 H LYS A 88 11.107 -3.887 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 88 8.680 -3.204 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.698 -5.501 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.988 -5.011 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.314 -4.520 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.010 -4.973 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.957 -7.283 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.293 -6.835 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.560 -7.971 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.670 -6.295 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.636 -5.821 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.822 -6.804 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.383 -7.496 2.057 1.00 0.00 H new ATOM 1306 N LEU A 89 11.483 -2.373 0.031 1.00 0.00 N ATOM 1307 CA LEU A 89 12.002 -1.506 1.126 1.00 0.00 C ATOM 1308 C LEU A 89 11.670 -0.038 0.830 1.00 0.00 C ATOM 1309 O LEU A 89 11.197 0.690 1.681 1.00 0.00 O ATOM 1310 CB LEU A 89 13.522 -1.674 1.216 1.00 0.00 C ATOM 1311 CG LEU A 89 14.075 -0.881 2.411 1.00 0.00 C ATOM 1312 CD1 LEU A 89 13.510 -1.443 3.729 1.00 0.00 C ATOM 1313 CD2 LEU A 89 15.610 -0.981 2.417 1.00 0.00 C ATOM 0 H LEU A 89 12.196 -2.862 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 89 11.538 -1.794 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.773 -2.729 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.988 -1.328 0.294 1.00 0.00 H new ATOM 0 HG LEU A 89 13.776 0.163 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.909 -0.873 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.423 -1.365 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.798 -2.489 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.008 -0.420 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.906 -2.026 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.005 -0.567 1.489 1.00 0.00 H new ATOM 1325 N ILE A 90 11.930 0.404 -0.371 1.00 0.00 N ATOM 1326 CA ILE A 90 11.642 1.826 -0.726 1.00 0.00 C ATOM 1327 C ILE A 90 10.128 2.066 -0.708 1.00 0.00 C ATOM 1328 O ILE A 90 9.643 3.054 -0.191 1.00 0.00 O ATOM 1329 CB ILE A 90 12.186 2.105 -2.130 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.717 2.044 -2.111 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.740 3.496 -2.590 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.249 2.053 -3.548 1.00 0.00 C ATOM 0 H ILE A 90 12.330 -0.158 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 90 12.118 2.490 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 90 11.800 1.354 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.118 2.894 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.049 1.143 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.129 3.691 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.651 3.541 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.122 4.248 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.338 2.010 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.859 1.189 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 90 13.929 2.967 -4.049 1.00 0.00 H new ATOM 1344 N PHE A 91 9.387 1.166 -1.286 1.00 0.00 N ATOM 1345 CA PHE A 91 7.904 1.311 -1.331 1.00 0.00 C ATOM 1346 C PHE A 91 7.329 1.256 0.086 1.00 0.00 C ATOM 1347 O PHE A 91 6.475 2.038 0.457 1.00 0.00 O ATOM 1348 CB PHE A 91 7.327 0.168 -2.164 1.00 0.00 C ATOM 1349 CG PHE A 91 5.821 0.266 -2.203 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.199 1.169 -3.072 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.046 -0.556 -1.374 1.00 0.00 C ATOM 1352 CE1 PHE A 91 3.803 1.254 -3.110 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.650 -0.471 -1.413 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.028 0.433 -2.282 1.00 0.00 C ATOM 0 H PHE A 91 9.748 0.325 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 91 7.642 2.270 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.728 0.207 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.626 -0.790 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.796 1.800 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.526 -1.255 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.323 1.953 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.052 -1.103 -0.773 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.950 0.497 -2.314 1.00 0.00 H new ATOM 1364 N GLU A 92 7.779 0.321 0.873 1.00 0.00 N ATOM 1365 CA GLU A 92 7.256 0.191 2.262 1.00 0.00 C ATOM 1366 C GLU A 92 7.666 1.415 3.082 1.00 0.00 C ATOM 1367 O GLU A 92 6.925 1.896 3.916 1.00 0.00 O ATOM 1368 CB GLU A 92 7.839 -1.069 2.899 1.00 0.00 C ATOM 1369 CG GLU A 92 7.161 -1.337 4.247 1.00 0.00 C ATOM 1370 CD GLU A 92 5.713 -1.769 4.011 1.00 0.00 C ATOM 1371 OE1 GLU A 92 5.359 -1.990 2.865 1.00 0.00 O ATOM 1372 OE2 GLU A 92 4.982 -1.877 4.984 1.00 0.00 O ATOM 0 H GLU A 92 8.490 -0.363 0.614 1.00 0.00 H new ATOM 0 HA GLU A 92 6.168 0.123 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.696 -1.922 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.913 -0.951 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.700 -2.114 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.188 -0.439 4.865 1.00 0.00 H new ATOM 1379 N LEU A 93 8.846 1.914 2.861 1.00 0.00 N ATOM 1380 CA LEU A 93 9.307 3.100 3.634 1.00 0.00 C ATOM 1381 C LEU A 93 8.401 4.296 3.338 1.00 0.00 C ATOM 1382 O LEU A 93 8.009 5.030 4.223 1.00 0.00 O ATOM 1383 CB LEU A 93 10.743 3.433 3.221 1.00 0.00 C ATOM 1384 CG LEU A 93 11.253 4.688 3.986 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.715 4.491 4.412 1.00 0.00 C ATOM 1386 CD2 LEU A 93 11.165 5.939 3.089 1.00 0.00 C ATOM 0 H LEU A 93 9.513 1.553 2.179 1.00 0.00 H new ATOM 0 HA LEU A 93 9.268 2.880 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.394 2.584 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.786 3.612 2.147 1.00 0.00 H new ATOM 0 HG LEU A 93 10.625 4.825 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.061 5.376 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.790 3.621 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.334 4.336 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.526 6.808 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.778 5.793 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.129 6.102 2.792 1.00 0.00 H new ATOM 1398 N LYS A 94 8.080 4.505 2.092 1.00 0.00 N ATOM 1399 CA LYS A 94 7.207 5.656 1.724 1.00 0.00 C ATOM 1400 C LYS A 94 5.807 5.470 2.317 1.00 0.00 C ATOM 1401 O LYS A 94 5.204 6.397 2.822 1.00 0.00 O ATOM 1402 CB LYS A 94 7.100 5.737 0.201 1.00 0.00 C ATOM 1403 CG LYS A 94 8.441 6.172 -0.396 1.00 0.00 C ATOM 1404 CD LYS A 94 8.315 6.256 -1.920 1.00 0.00 C ATOM 1405 CE LYS A 94 9.659 6.662 -2.526 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.968 8.070 -2.143 1.00 0.00 N ATOM 0 H LYS A 94 8.385 3.927 1.309 1.00 0.00 H new ATOM 0 HA LYS A 94 7.642 6.574 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.810 4.767 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.321 6.445 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.736 7.140 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.221 5.461 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.000 5.293 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.548 6.982 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.446 5.996 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.625 6.568 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.711 8.445 -2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.111 8.651 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.298 8.097 -1.157 1.00 0.00 H new ATOM 1420 N THR A 95 5.281 4.280 2.239 1.00 0.00 N ATOM 1421 CA THR A 95 3.912 4.025 2.775 1.00 0.00 C ATOM 1422 C THR A 95 3.892 4.209 4.296 1.00 0.00 C ATOM 1423 O THR A 95 2.992 4.811 4.850 1.00 0.00 O ATOM 1424 CB THR A 95 3.511 2.593 2.441 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.573 1.721 2.796 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.218 2.471 0.944 1.00 0.00 C ATOM 0 H THR A 95 5.741 3.469 1.826 1.00 0.00 H new ATOM 0 HA THR A 95 3.214 4.731 2.324 1.00 0.00 H new ATOM 0 HB THR A 95 2.613 2.324 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.295 2.237 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.932 1.445 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.404 3.144 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.110 2.737 0.376 1.00 0.00 H new ATOM 1434 N ARG A 96 4.873 3.690 4.975 1.00 0.00 N ATOM 1435 CA ARG A 96 4.913 3.828 6.459 1.00 0.00 C ATOM 1436 C ARG A 96 5.063 5.304 6.835 1.00 0.00 C ATOM 1437 O ARG A 96 4.472 5.781 7.784 1.00 0.00 O ATOM 1438 CB ARG A 96 6.099 3.034 7.007 1.00 0.00 C ATOM 1439 CG ARG A 96 5.819 1.532 6.883 1.00 0.00 C ATOM 1440 CD ARG A 96 7.053 0.737 7.329 1.00 0.00 C ATOM 1441 NE ARG A 96 7.311 0.988 8.776 1.00 0.00 N ATOM 1442 CZ ARG A 96 8.386 0.512 9.351 1.00 0.00 C ATOM 1443 NH1 ARG A 96 9.236 -0.200 8.663 1.00 0.00 N ATOM 1444 NH2 ARG A 96 8.603 0.743 10.615 1.00 0.00 N ATOM 0 H ARG A 96 5.653 3.174 4.567 1.00 0.00 H new ATOM 0 HA ARG A 96 3.987 3.443 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.005 3.291 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.273 3.296 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.959 1.261 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.567 1.283 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.895 -0.328 7.156 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.921 1.030 6.738 1.00 0.00 H new ATOM 0 HE ARG A 96 6.645 1.535 9.322 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.063 -0.386 7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.073 -0.570 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.936 1.294 11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.440 0.373 11.065 1.00 0.00 H new ATOM 1458 N ALA A 97 5.861 6.027 6.102 1.00 0.00 N ATOM 1459 CA ALA A 97 6.060 7.470 6.415 1.00 0.00 C ATOM 1460 C ALA A 97 4.729 8.219 6.292 1.00 0.00 C ATOM 1461 O ALA A 97 4.340 8.968 7.168 1.00 0.00 O ATOM 1462 CB ALA A 97 7.059 8.054 5.419 1.00 0.00 C ATOM 0 H ALA A 97 6.385 5.681 5.298 1.00 0.00 H new ATOM 0 HA ALA A 97 6.436 7.575 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.214 9.111 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.008 7.523 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.669 7.945 4.407 1.00 0.00 H new ATOM 1468 N LEU A 98 4.033 8.026 5.207 1.00 0.00 N ATOM 1469 CA LEU A 98 2.728 8.725 5.016 1.00 0.00 C ATOM 1470 C LEU A 98 1.722 8.230 6.059 1.00 0.00 C ATOM 1471 O LEU A 98 0.978 8.995 6.641 1.00 0.00 O ATOM 1472 CB LEU A 98 2.197 8.415 3.617 1.00 0.00 C ATOM 1473 CG LEU A 98 3.093 9.064 2.550 1.00 0.00 C ATOM 1474 CD1 LEU A 98 2.680 8.551 1.164 1.00 0.00 C ATOM 1475 CD2 LEU A 98 2.962 10.601 2.593 1.00 0.00 C ATOM 0 H LEU A 98 4.311 7.413 4.441 1.00 0.00 H new ATOM 0 HA LEU A 98 2.869 9.800 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.162 7.336 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.176 8.784 3.518 1.00 0.00 H new ATOM 0 HG LEU A 98 4.131 8.799 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.313 9.008 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.795 7.468 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.639 8.812 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.604 11.042 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.926 10.883 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.263 10.964 3.575 1.00 0.00 H new ATOM 1487 N ALA A 99 1.693 6.947 6.289 1.00 0.00 N ATOM 1488 CA ALA A 99 0.739 6.380 7.284 1.00 0.00 C ATOM 1489 C ALA A 99 1.113 6.861 8.689 1.00 0.00 C ATOM 1490 O ALA A 99 0.260 7.132 9.515 1.00 0.00 O ATOM 1491 CB ALA A 99 0.812 4.856 7.228 1.00 0.00 C ATOM 0 H ALA A 99 2.292 6.262 5.828 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.274 6.710 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.117 4.432 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.546 4.515 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.825 4.531 7.464 1.00 0.00 H new ATOM 1497 N ARG A 100 2.383 6.960 8.966 1.00 0.00 N ATOM 1498 CA ARG A 100 2.833 7.416 10.313 1.00 0.00 C ATOM 1499 C ARG A 100 2.998 8.938 10.286 1.00 0.00 C ATOM 1500 O ARG A 100 3.386 9.550 11.260 1.00 0.00 O ATOM 1501 CB ARG A 100 4.168 6.751 10.650 1.00 0.00 C ATOM 1502 CG ARG A 100 3.955 5.248 10.867 1.00 0.00 C ATOM 1503 CD ARG A 100 5.297 4.571 11.165 1.00 0.00 C ATOM 1504 NE ARG A 100 5.083 3.111 11.372 1.00 0.00 N ATOM 1505 CZ ARG A 100 6.026 2.370 11.898 1.00 0.00 C ATOM 1506 NH1 ARG A 100 7.164 2.906 12.244 1.00 0.00 N ATOM 1507 NH2 ARG A 100 5.827 1.094 12.074 1.00 0.00 N ATOM 0 H ARG A 100 3.135 6.743 8.312 1.00 0.00 H new ATOM 0 HA ARG A 100 2.099 7.142 11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.881 6.914 9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.594 7.201 11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.264 5.085 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.502 4.804 9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.990 4.734 10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.750 5.012 12.053 1.00 0.00 H new ATOM 0 HE ARG A 100 4.196 2.686 11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.321 3.904 12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.897 2.327 12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.938 0.674 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.560 0.515 12.484 1.00 0.00 H new ATOM 1521 N LEU A 101 2.695 9.541 9.166 1.00 0.00 N ATOM 1522 CA LEU A 101 2.806 11.028 9.029 1.00 0.00 C ATOM 1523 C LEU A 101 4.235 11.501 9.314 1.00 0.00 C ATOM 1524 O LEU A 101 5.120 10.721 9.609 1.00 0.00 O ATOM 1525 CB LEU A 101 1.841 11.714 10.003 1.00 0.00 C ATOM 1526 CG LEU A 101 0.400 11.289 9.689 1.00 0.00 C ATOM 1527 CD1 LEU A 101 -0.536 11.856 10.760 1.00 0.00 C ATOM 1528 CD2 LEU A 101 -0.022 11.809 8.301 1.00 0.00 C ATOM 0 H LEU A 101 2.370 9.061 8.327 1.00 0.00 H new ATOM 0 HA LEU A 101 2.549 11.294 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.094 11.447 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.937 12.797 9.923 1.00 0.00 H new ATOM 0 HG LEU A 101 0.341 10.201 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.561 11.557 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.246 11.471 11.738 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.468 12.944 10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.046 11.500 8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.038 12.897 8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.643 11.398 7.541 1.00 0.00 H new ATOM 1540 N GLU A 102 4.458 12.787 9.225 1.00 0.00 N ATOM 1541 CA GLU A 102 5.817 13.336 9.483 1.00 0.00 C ATOM 1542 C GLU A 102 5.758 14.866 9.503 1.00 0.00 C ATOM 1543 O GLU A 102 5.132 15.489 8.666 1.00 0.00 O ATOM 1544 CB GLU A 102 6.785 12.866 8.393 1.00 0.00 C ATOM 1545 CG GLU A 102 6.195 13.154 7.013 1.00 0.00 C ATOM 1546 CD GLU A 102 7.156 12.643 5.937 1.00 0.00 C ATOM 1547 OE1 GLU A 102 8.354 12.690 6.171 1.00 0.00 O ATOM 1548 OE2 GLU A 102 6.680 12.210 4.902 1.00 0.00 O ATOM 0 H GLU A 102 3.751 13.482 8.983 1.00 0.00 H new ATOM 0 HA GLU A 102 6.171 12.978 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.743 13.374 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.977 11.798 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.225 12.668 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.030 14.225 6.891 1.00 0.00 H new ATOM 1555 N HIS A 103 6.394 15.470 10.469 1.00 0.00 N ATOM 1556 CA HIS A 103 6.374 16.955 10.580 1.00 0.00 C ATOM 1557 C HIS A 103 7.169 17.584 9.433 1.00 0.00 C ATOM 1558 O HIS A 103 8.297 17.217 9.166 1.00 0.00 O ATOM 1559 CB HIS A 103 7.003 17.356 11.915 1.00 0.00 C ATOM 1560 CG HIS A 103 6.856 18.838 12.124 1.00 0.00 C ATOM 1561 ND1 HIS A 103 5.638 19.422 12.437 1.00 0.00 N ATOM 1562 CD2 HIS A 103 7.765 19.867 12.080 1.00 0.00 C ATOM 1563 CE1 HIS A 103 5.845 20.745 12.567 1.00 0.00 C ATOM 1564 NE2 HIS A 103 7.124 21.070 12.361 1.00 0.00 N ATOM 0 H HIS A 103 6.932 14.993 11.193 1.00 0.00 H new ATOM 0 HA HIS A 103 5.344 17.308 10.526 1.00 0.00 H new ATOM 0 HB2 HIS A 103 6.523 16.815 12.730 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.058 17.081 11.928 1.00 0.00 H new ATOM 0 HD2 HIS A 103 8.817 19.759 11.861 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.071 21.458 12.809 1.00 0.00 H new ATOM 0 HE2 HIS A 103 7.541 22.000 12.401 1.00 0.00 H new ATOM 1572 N HIS A 104 6.589 18.541 8.755 1.00 0.00 N ATOM 1573 CA HIS A 104 7.305 19.205 7.629 1.00 0.00 C ATOM 1574 C HIS A 104 6.850 20.661 7.519 1.00 0.00 C ATOM 1575 O HIS A 104 5.681 20.971 7.647 1.00 0.00 O ATOM 1576 CB HIS A 104 6.993 18.474 6.324 1.00 0.00 C ATOM 1577 CG HIS A 104 7.824 19.062 5.220 1.00 0.00 C ATOM 1578 ND1 HIS A 104 9.188 18.838 5.124 1.00 0.00 N ATOM 1579 CD2 HIS A 104 7.501 19.873 4.161 1.00 0.00 C ATOM 1580 CE1 HIS A 104 9.632 19.503 4.042 1.00 0.00 C ATOM 1581 NE2 HIS A 104 8.644 20.151 3.418 1.00 0.00 N ATOM 0 H HIS A 104 5.648 18.891 8.935 1.00 0.00 H new ATOM 0 HA HIS A 104 8.379 19.174 7.815 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.206 17.410 6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.933 18.565 6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.510 20.240 3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.662 19.512 3.717 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.713 20.726 2.578 1.00 0.00 H new ATOM 1589 N HIS A 105 7.769 21.557 7.282 1.00 0.00 N ATOM 1590 CA HIS A 105 7.406 22.996 7.166 1.00 0.00 C ATOM 1591 C HIS A 105 7.015 23.317 5.721 1.00 0.00 C ATOM 1592 O HIS A 105 7.793 23.158 4.802 1.00 0.00 O ATOM 1593 CB HIS A 105 8.612 23.844 7.576 1.00 0.00 C ATOM 1594 CG HIS A 105 8.893 23.626 9.038 1.00 0.00 C ATOM 1595 ND1 HIS A 105 9.688 22.584 9.491 1.00 0.00 N ATOM 1596 CD2 HIS A 105 8.485 24.301 10.161 1.00 0.00 C ATOM 1597 CE1 HIS A 105 9.731 22.661 10.834 1.00 0.00 C ATOM 1598 NE2 HIS A 105 9.015 23.690 11.294 1.00 0.00 N ATOM 0 H HIS A 105 8.761 21.352 7.163 1.00 0.00 H new ATOM 0 HA HIS A 105 6.560 23.217 7.817 1.00 0.00 H new ATOM 0 HB2 HIS A 105 9.483 23.571 6.981 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.413 24.898 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.849 25.174 10.165 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.278 21.974 11.463 1.00 0.00 H new ATOM 0 HE2 HIS A 105 8.884 23.968 12.267 1.00 0.00 H new ATOM 1606 N HIS A 106 5.809 23.771 5.521 1.00 0.00 N ATOM 1607 CA HIS A 106 5.347 24.114 4.149 1.00 0.00 C ATOM 1608 C HIS A 106 6.148 25.311 3.627 1.00 0.00 C ATOM 1609 O HIS A 106 6.529 25.369 2.473 1.00 0.00 O ATOM 1610 CB HIS A 106 3.863 24.477 4.207 1.00 0.00 C ATOM 1611 CG HIS A 106 3.358 24.759 2.822 1.00 0.00 C ATOM 1612 ND1 HIS A 106 3.302 23.779 1.846 1.00 0.00 N ATOM 1613 CD2 HIS A 106 2.878 25.903 2.235 1.00 0.00 C ATOM 1614 CE1 HIS A 106 2.806 24.345 0.732 1.00 0.00 C ATOM 1615 NE2 HIS A 106 2.530 25.640 0.914 1.00 0.00 N ATOM 0 H HIS A 106 5.118 23.920 6.257 1.00 0.00 H new ATOM 0 HA HIS A 106 5.495 23.265 3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.296 23.660 4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.717 25.350 4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 106 2.785 26.861 2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.650 23.817 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 106 2.147 26.294 0.232 1.00 0.00 H new ATOM 1623 N HIS A 107 6.394 26.271 4.475 1.00 0.00 N ATOM 1624 CA HIS A 107 7.160 27.479 4.052 1.00 0.00 C ATOM 1625 C HIS A 107 6.641 27.978 2.697 1.00 0.00 C ATOM 1626 O HIS A 107 7.140 27.616 1.648 1.00 0.00 O ATOM 1627 CB HIS A 107 8.648 27.138 3.954 1.00 0.00 C ATOM 1628 CG HIS A 107 9.427 28.387 3.648 1.00 0.00 C ATOM 1629 ND1 HIS A 107 9.642 29.375 4.595 1.00 0.00 N ATOM 1630 CD2 HIS A 107 10.046 28.823 2.504 1.00 0.00 C ATOM 1631 CE1 HIS A 107 10.362 30.349 4.010 1.00 0.00 C ATOM 1632 NE2 HIS A 107 10.637 30.062 2.734 1.00 0.00 N ATOM 0 H HIS A 107 6.095 26.271 5.450 1.00 0.00 H new ATOM 0 HA HIS A 107 7.025 28.268 4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.995 26.700 4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 107 8.811 26.394 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.071 28.286 1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 107 10.679 31.252 4.510 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.166 30.629 2.071 1.00 0.00 H new ATOM 1640 N HIS A 108 5.637 28.811 2.724 1.00 0.00 N ATOM 1641 CA HIS A 108 5.063 29.350 1.460 1.00 0.00 C ATOM 1642 C HIS A 108 6.167 29.998 0.619 1.00 0.00 C ATOM 1643 O HIS A 108 6.602 31.079 0.980 1.00 0.00 O ATOM 1644 CB HIS A 108 4.005 30.397 1.806 1.00 0.00 C ATOM 1645 CG HIS A 108 3.364 30.902 0.545 1.00 0.00 C ATOM 1646 ND1 HIS A 108 3.923 31.923 -0.209 1.00 0.00 N ATOM 1647 CD2 HIS A 108 2.215 30.538 -0.110 1.00 0.00 C ATOM 1648 CE1 HIS A 108 3.116 32.134 -1.265 1.00 0.00 C ATOM 1649 NE2 HIS A 108 2.059 31.317 -1.253 1.00 0.00 N ATOM 1650 OXT HIS A 108 6.554 29.404 -0.374 1.00 0.00 O ATOM 0 H HIS A 108 5.186 29.144 3.576 1.00 0.00 H new ATOM 0 HA HIS A 108 4.613 28.539 0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.250 29.963 2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.461 31.224 2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 108 1.534 29.764 0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 108 3.300 32.874 -2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 108 1.301 31.273 -1.934 1.00 0.00 H new TER 1658 HIS A 108