USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 28 HIS : no HE2:sc= -14.8! C(o=-16!,f=-21!) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -179:sc= -1.04! (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.629 K(o=-0.63,f=-0.096) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.27! C(o=-3.3!,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.83 (180deg=-3.48!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00837 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -4.17! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -12.8! C(o=-13!,f=-18!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.33! C(o=-1.3!,f=-2.3!) USER MOD Single : A 58 HIS : no HD1:sc= -1.8! K(o=-1.8!,f=0.056) USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= -3.34! (180deg=-6.53!) USER MOD Single : A 64 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.48) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0957 USER MOD Single : A 72 TYR OH : rot -133:sc= -10.7! USER MOD Single : A 75 GLN : amide:sc= -3.34! C(o=-3.3!,f=-4.2!) USER MOD Single : A 76 ASN : amide:sc= -1.14! X(o=-1.1!,f=-1.1) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -103:sc= -0.0343 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.621 -6.529 11.956 1.00 0.00 N ATOM 21 CA ASN A 2 -2.707 -5.501 12.434 1.00 0.00 C ATOM 22 C ASN A 2 -1.456 -5.431 11.570 1.00 0.00 C ATOM 23 O ASN A 2 -0.859 -4.371 11.413 1.00 0.00 O ATOM 24 CB ASN A 2 -2.313 -5.762 13.888 1.00 0.00 C ATOM 25 CG ASN A 2 -2.533 -7.205 14.299 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.584 -7.980 14.417 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.789 -7.573 14.518 1.00 0.00 N ATOM 0 HA ASN A 2 -3.227 -4.545 12.371 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.263 -5.503 14.029 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.892 -5.109 14.541 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.998 -8.532 14.796 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.545 -6.897 14.408 1.00 0.00 H new ATOM 34 N ASP A 3 -1.059 -6.570 11.024 1.00 0.00 N ATOM 35 CA ASP A 3 0.134 -6.643 10.186 1.00 0.00 C ATOM 36 C ASP A 3 0.102 -5.597 9.078 1.00 0.00 C ATOM 37 O ASP A 3 1.128 -5.013 8.731 1.00 0.00 O ATOM 38 CB ASP A 3 0.271 -8.041 9.580 1.00 0.00 C ATOM 39 CG ASP A 3 0.415 -9.118 10.636 1.00 0.00 C ATOM 40 OD1 ASP A 3 0.489 -8.770 11.833 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.454 -10.311 10.267 1.00 0.00 O ATOM 0 H ASP A 3 -1.544 -7.459 11.145 1.00 0.00 H new ATOM 0 HA ASP A 3 0.997 -6.438 10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.603 -8.254 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.139 -8.065 8.921 1.00 0.00 H new ATOM 46 N VAL A 4 -1.078 -5.372 8.522 1.00 0.00 N ATOM 47 CA VAL A 4 -1.246 -4.402 7.446 1.00 0.00 C ATOM 48 C VAL A 4 -1.113 -2.968 7.953 1.00 0.00 C ATOM 49 O VAL A 4 -0.440 -2.148 7.338 1.00 0.00 O ATOM 50 CB VAL A 4 -2.609 -4.563 6.749 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.623 -5.815 5.884 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.733 -4.600 7.772 1.00 0.00 C ATOM 0 H VAL A 4 -1.937 -5.848 8.797 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.451 -4.599 6.727 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.768 -3.701 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.595 -5.912 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.845 -5.741 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.440 -6.690 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.688 -4.714 7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.582 -5.441 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.736 -3.671 8.343 1.00 0.00 H new ATOM 62 N LEU A 5 -1.769 -2.669 9.068 1.00 0.00 N ATOM 63 CA LEU A 5 -1.732 -1.331 9.648 1.00 0.00 C ATOM 64 C LEU A 5 -0.345 -0.981 10.176 1.00 0.00 C ATOM 65 O LEU A 5 0.076 0.171 10.129 1.00 0.00 O ATOM 66 CB LEU A 5 -2.757 -1.215 10.773 1.00 0.00 C ATOM 67 CG LEU A 5 -3.919 -0.259 10.496 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.174 -1.037 10.130 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.174 0.632 11.703 1.00 0.00 C ATOM 0 H LEU A 5 -2.335 -3.338 9.591 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.978 -0.624 8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.163 -2.206 10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.245 -0.887 11.678 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.651 0.375 9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.990 -0.341 9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.985 -1.633 9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.447 -1.696 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.004 1.306 11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.422 0.014 12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.279 1.216 11.920 1.00 0.00 H new ATOM 81 N THR A 6 0.346 -1.978 10.698 1.00 0.00 N ATOM 82 CA THR A 6 1.676 -1.781 11.263 1.00 0.00 C ATOM 83 C THR A 6 2.683 -1.335 10.209 1.00 0.00 C ATOM 84 O THR A 6 3.320 -0.292 10.346 1.00 0.00 O ATOM 85 CB THR A 6 2.161 -3.069 11.928 1.00 0.00 C ATOM 86 OG1 THR A 6 3.577 -3.108 11.975 1.00 0.00 O ATOM 87 CG2 THR A 6 1.691 -4.315 11.214 1.00 0.00 C ATOM 0 H THR A 6 0.009 -2.940 10.744 1.00 0.00 H new ATOM 0 HA THR A 6 1.600 -0.989 12.008 1.00 0.00 H new ATOM 0 HB THR A 6 1.736 -3.058 12.931 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.867 -3.939 12.405 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.068 -5.196 11.734 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.601 -4.339 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.065 -4.310 10.190 1.00 0.00 H new ATOM 95 N ARG A 7 2.825 -2.139 9.168 1.00 0.00 N ATOM 96 CA ARG A 7 3.758 -1.847 8.090 1.00 0.00 C ATOM 97 C ARG A 7 3.203 -0.781 7.159 1.00 0.00 C ATOM 98 O ARG A 7 3.924 0.112 6.715 1.00 0.00 O ATOM 99 CB ARG A 7 4.070 -3.119 7.299 1.00 0.00 C ATOM 100 CG ARG A 7 5.176 -2.941 6.273 1.00 0.00 C ATOM 101 CD ARG A 7 4.651 -3.106 4.856 1.00 0.00 C ATOM 102 NE ARG A 7 3.213 -2.875 4.773 1.00 0.00 N ATOM 103 CZ ARG A 7 2.309 -3.849 4.759 1.00 0.00 C ATOM 104 NH1 ARG A 7 2.696 -5.116 4.820 1.00 0.00 N ATOM 105 NH2 ARG A 7 1.018 -3.558 4.683 1.00 0.00 N ATOM 0 H ARG A 7 2.302 -3.006 9.046 1.00 0.00 H new ATOM 0 HA ARG A 7 4.678 -1.468 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.355 -3.909 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.165 -3.452 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.622 -1.953 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.966 -3.670 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.168 -2.410 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.877 -4.111 4.501 1.00 0.00 H new ATOM 0 HE ARG A 7 2.883 -1.911 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.689 -5.344 4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.001 -5.863 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.717 -2.585 4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.326 -4.307 4.672 1.00 0.00 H new ATOM 119 N VAL A 8 1.915 -0.886 6.861 1.00 0.00 N ATOM 120 CA VAL A 8 1.256 0.060 5.977 1.00 0.00 C ATOM 121 C VAL A 8 1.207 1.452 6.598 1.00 0.00 C ATOM 122 O VAL A 8 1.581 2.440 5.965 1.00 0.00 O ATOM 123 CB VAL A 8 -0.178 -0.389 5.638 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.152 0.077 6.709 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.592 0.128 4.271 1.00 0.00 C ATOM 0 H VAL A 8 1.306 -1.620 7.221 1.00 0.00 H new ATOM 0 HA VAL A 8 1.843 0.094 5.060 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.199 -1.478 5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.159 -0.250 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.867 -0.350 7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.129 1.165 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.608 -0.200 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.553 1.217 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.088 -0.262 3.513 1.00 0.00 H new ATOM 135 N LEU A 9 0.744 1.521 7.841 1.00 0.00 N ATOM 136 CA LEU A 9 0.644 2.791 8.551 1.00 0.00 C ATOM 137 C LEU A 9 2.024 3.401 8.773 1.00 0.00 C ATOM 138 O LEU A 9 2.229 4.595 8.555 1.00 0.00 O ATOM 139 CB LEU A 9 -0.058 2.591 9.897 1.00 0.00 C ATOM 140 CG LEU A 9 0.863 2.208 11.056 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.634 3.422 11.550 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.060 1.586 12.189 1.00 0.00 C ATOM 0 H LEU A 9 0.432 0.712 8.378 1.00 0.00 H new ATOM 0 HA LEU A 9 0.058 3.476 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.581 3.511 10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.815 1.815 9.783 1.00 0.00 H new ATOM 0 HG LEU A 9 1.581 1.470 10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.284 3.129 12.375 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.238 3.825 10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.933 4.183 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.730 1.319 13.006 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.680 2.302 12.546 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.446 0.691 11.828 1.00 0.00 H new ATOM 154 N GLU A 10 2.969 2.572 9.205 1.00 0.00 N ATOM 155 CA GLU A 10 4.330 3.025 9.454 1.00 0.00 C ATOM 156 C GLU A 10 4.995 3.461 8.159 1.00 0.00 C ATOM 157 O GLU A 10 5.810 4.384 8.139 1.00 0.00 O ATOM 158 CB GLU A 10 5.149 1.914 10.109 1.00 0.00 C ATOM 159 CG GLU A 10 5.492 0.775 9.160 1.00 0.00 C ATOM 160 CD GLU A 10 6.988 0.583 8.999 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.680 0.424 10.025 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.465 0.592 7.844 1.00 0.00 O ATOM 0 H GLU A 10 2.815 1.581 9.390 1.00 0.00 H new ATOM 0 HA GLU A 10 4.286 3.879 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.072 2.338 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.593 1.515 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.048 -0.149 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.047 0.973 8.185 1.00 0.00 H new ATOM 169 N VAL A 11 4.641 2.780 7.082 1.00 0.00 N ATOM 170 CA VAL A 11 5.197 3.070 5.771 1.00 0.00 C ATOM 171 C VAL A 11 4.918 4.504 5.349 1.00 0.00 C ATOM 172 O VAL A 11 5.834 5.260 5.025 1.00 0.00 O ATOM 173 CB VAL A 11 4.637 2.114 4.715 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.452 2.827 3.386 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.536 0.898 4.566 1.00 0.00 C ATOM 0 H VAL A 11 3.965 2.016 7.091 1.00 0.00 H new ATOM 0 HA VAL A 11 6.276 2.932 5.847 1.00 0.00 H new ATOM 0 HB VAL A 11 3.657 1.770 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.053 2.128 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.757 3.657 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.413 3.208 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.122 0.230 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.532 1.217 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.599 0.373 5.519 1.00 0.00 H new ATOM 185 N VAL A 12 3.646 4.868 5.359 1.00 0.00 N ATOM 186 CA VAL A 12 3.230 6.212 4.980 1.00 0.00 C ATOM 187 C VAL A 12 3.673 7.236 6.019 1.00 0.00 C ATOM 188 O VAL A 12 4.205 8.292 5.678 1.00 0.00 O ATOM 189 CB VAL A 12 1.702 6.300 4.810 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.139 4.968 4.338 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.044 6.735 6.110 1.00 0.00 C ATOM 0 H VAL A 12 2.880 4.250 5.626 1.00 0.00 H new ATOM 0 HA VAL A 12 3.708 6.434 4.026 1.00 0.00 H new ATOM 0 HB VAL A 12 1.482 7.050 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.058 5.050 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.586 4.703 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.369 4.195 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.036 6.792 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.271 6.011 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.424 7.715 6.400 1.00 0.00 H new ATOM 201 N LYS A 13 3.450 6.915 7.288 1.00 0.00 N ATOM 202 CA LYS A 13 3.828 7.808 8.377 1.00 0.00 C ATOM 203 C LYS A 13 5.300 8.191 8.281 1.00 0.00 C ATOM 204 O LYS A 13 5.658 9.359 8.429 1.00 0.00 O ATOM 205 CB LYS A 13 3.548 7.147 9.728 1.00 0.00 C ATOM 206 CG LYS A 13 2.098 7.257 10.171 1.00 0.00 C ATOM 207 CD LYS A 13 1.150 7.234 8.983 1.00 0.00 C ATOM 208 CE LYS A 13 -0.275 7.561 9.400 1.00 0.00 C ATOM 209 NZ LYS A 13 -1.253 6.580 8.853 1.00 0.00 N ATOM 0 H LYS A 13 3.010 6.045 7.588 1.00 0.00 H new ATOM 0 HA LYS A 13 3.229 8.715 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.823 6.094 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.186 7.603 10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.859 6.434 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.957 8.180 10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.485 7.953 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.176 6.250 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.341 7.572 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.533 8.562 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.212 6.838 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.208 6.588 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.022 5.628 9.202 1.00 0.00 H new ATOM 223 N ASN A 14 6.151 7.200 8.036 1.00 0.00 N ATOM 224 CA ASN A 14 7.579 7.433 7.926 1.00 0.00 C ATOM 225 C ASN A 14 7.980 7.771 6.493 1.00 0.00 C ATOM 226 O ASN A 14 9.147 8.051 6.218 1.00 0.00 O ATOM 227 CB ASN A 14 8.356 6.207 8.408 1.00 0.00 C ATOM 228 CG ASN A 14 7.863 5.697 9.748 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.932 6.401 10.756 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.362 4.468 9.766 1.00 0.00 N ATOM 0 H ASN A 14 5.872 6.227 7.910 1.00 0.00 H new ATOM 0 HA ASN A 14 7.825 8.287 8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.271 5.412 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.414 6.459 8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.015 4.072 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.324 3.920 8.907 1.00 0.00 H new ATOM 237 N PHE A 15 7.012 7.743 5.581 1.00 0.00 N ATOM 238 CA PHE A 15 7.277 8.045 4.186 1.00 0.00 C ATOM 239 C PHE A 15 7.198 9.545 3.924 1.00 0.00 C ATOM 240 O PHE A 15 7.454 10.001 2.811 1.00 0.00 O ATOM 241 CB PHE A 15 6.291 7.306 3.281 1.00 0.00 C ATOM 242 CG PHE A 15 6.940 6.271 2.411 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.590 5.183 2.969 1.00 0.00 C ATOM 244 CD2 PHE A 15 6.899 6.388 1.033 1.00 0.00 C ATOM 245 CE1 PHE A 15 8.190 4.231 2.168 1.00 0.00 C ATOM 246 CE2 PHE A 15 7.498 5.441 0.225 1.00 0.00 C ATOM 247 CZ PHE A 15 8.144 4.360 0.793 1.00 0.00 C ATOM 0 H PHE A 15 6.040 7.514 5.787 1.00 0.00 H new ATOM 0 HA PHE A 15 8.289 7.709 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.532 6.826 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.777 8.030 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.628 5.078 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.393 7.230 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.694 3.387 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.461 5.546 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.612 3.617 0.164 1.00 0.00 H new ATOM 257 N GLU A 16 6.838 10.306 4.954 1.00 0.00 N ATOM 258 CA GLU A 16 6.718 11.755 4.835 1.00 0.00 C ATOM 259 C GLU A 16 5.329 12.140 4.343 1.00 0.00 C ATOM 260 O GLU A 16 5.156 13.162 3.679 1.00 0.00 O ATOM 261 CB GLU A 16 7.773 12.302 3.872 1.00 0.00 C ATOM 262 CG GLU A 16 7.332 12.282 2.425 1.00 0.00 C ATOM 263 CD GLU A 16 8.407 11.759 1.492 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.534 11.508 1.965 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.119 11.601 0.286 1.00 0.00 O ATOM 0 H GLU A 16 6.624 9.942 5.882 1.00 0.00 H new ATOM 0 HA GLU A 16 6.877 12.189 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.018 13.326 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.686 11.716 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.441 11.662 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.052 13.291 2.121 1.00 0.00 H new ATOM 272 N LYS A 17 4.346 11.311 4.666 1.00 0.00 N ATOM 273 CA LYS A 17 2.977 11.556 4.254 1.00 0.00 C ATOM 274 C LYS A 17 2.207 12.317 5.328 1.00 0.00 C ATOM 275 O LYS A 17 1.505 13.284 5.033 1.00 0.00 O ATOM 276 CB LYS A 17 2.276 10.235 3.931 1.00 0.00 C ATOM 277 CG LYS A 17 3.228 9.117 3.542 1.00 0.00 C ATOM 278 CD LYS A 17 3.449 9.089 2.045 1.00 0.00 C ATOM 279 CE LYS A 17 2.542 8.073 1.375 1.00 0.00 C ATOM 280 NZ LYS A 17 3.231 6.773 1.153 1.00 0.00 N ATOM 0 H LYS A 17 4.475 10.461 5.214 1.00 0.00 H new ATOM 0 HA LYS A 17 2.999 12.173 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.696 9.920 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.570 10.398 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.182 9.253 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.824 8.160 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.261 10.079 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.490 8.846 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.657 7.914 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.197 8.469 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.538 5.999 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.680 6.774 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.958 6.636 1.884 1.00 0.00 H new ATOM 294 N VAL A 18 2.343 11.875 6.574 1.00 0.00 N ATOM 295 CA VAL A 18 1.660 12.518 7.690 1.00 0.00 C ATOM 296 C VAL A 18 1.903 11.763 8.993 1.00 0.00 C ATOM 297 O VAL A 18 1.962 10.534 9.008 1.00 0.00 O ATOM 298 CB VAL A 18 0.144 12.614 7.442 1.00 0.00 C ATOM 299 CG1 VAL A 18 -0.188 13.860 6.636 1.00 0.00 C ATOM 300 CG2 VAL A 18 -0.361 11.364 6.737 1.00 0.00 C ATOM 0 H VAL A 18 2.919 11.075 6.836 1.00 0.00 H new ATOM 0 HA VAL A 18 2.071 13.524 7.773 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.359 12.689 8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.264 13.910 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.137 14.745 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.325 13.819 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.435 11.449 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.148 11.256 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.159 10.490 7.356 1.00 0.00 H new ATOM 310 N ASP A 19 2.044 12.509 10.084 1.00 0.00 N ATOM 311 CA ASP A 19 2.280 11.912 11.391 1.00 0.00 C ATOM 312 C ASP A 19 1.064 11.113 11.852 1.00 0.00 C ATOM 313 O ASP A 19 -0.069 11.589 11.774 1.00 0.00 O ATOM 314 CB ASP A 19 2.611 12.996 12.419 1.00 0.00 C ATOM 315 CG ASP A 19 3.973 12.793 13.054 1.00 0.00 C ATOM 316 OD1 ASP A 19 4.077 11.963 13.980 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.934 13.466 12.625 1.00 0.00 O ATOM 0 H ASP A 19 1.999 13.528 10.088 1.00 0.00 H new ATOM 0 HA ASP A 19 3.128 11.233 11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.580 13.973 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.847 13.001 13.197 1.00 0.00 H new ATOM 322 N ALA A 20 1.306 9.898 12.330 1.00 0.00 N ATOM 323 CA ALA A 20 0.230 9.036 12.802 1.00 0.00 C ATOM 324 C ALA A 20 -0.518 9.679 13.963 1.00 0.00 C ATOM 325 O ALA A 20 -1.686 9.377 14.207 1.00 0.00 O ATOM 326 CB ALA A 20 0.780 7.679 13.211 1.00 0.00 C ATOM 0 H ALA A 20 2.237 9.488 12.401 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.475 8.896 11.983 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.036 7.046 13.561 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.262 7.208 12.354 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.509 7.808 14.011 1.00 0.00 H new ATOM 332 N SER A 21 0.164 10.567 14.675 1.00 0.00 N ATOM 333 CA SER A 21 -0.429 11.255 15.813 1.00 0.00 C ATOM 334 C SER A 21 -1.526 12.211 15.358 1.00 0.00 C ATOM 335 O SER A 21 -2.419 12.560 16.130 1.00 0.00 O ATOM 336 CB SER A 21 0.644 12.019 16.590 1.00 0.00 C ATOM 337 OG SER A 21 1.872 11.312 16.595 1.00 0.00 O ATOM 0 H SER A 21 1.131 10.828 14.483 1.00 0.00 H new ATOM 0 HA SER A 21 -0.875 10.506 16.468 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.789 13.003 16.144 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.310 12.180 17.615 1.00 0.00 H new ATOM 0 HG SER A 21 2.541 11.823 17.097 1.00 0.00 H new ATOM 343 N LYS A 22 -1.448 12.632 14.102 1.00 0.00 N ATOM 344 CA LYS A 22 -2.428 13.548 13.541 1.00 0.00 C ATOM 345 C LYS A 22 -3.517 12.790 12.790 1.00 0.00 C ATOM 346 O LYS A 22 -4.578 13.339 12.494 1.00 0.00 O ATOM 347 CB LYS A 22 -1.746 14.547 12.603 1.00 0.00 C ATOM 348 CG LYS A 22 -1.355 13.952 11.261 1.00 0.00 C ATOM 349 CD LYS A 22 0.085 14.279 10.905 1.00 0.00 C ATOM 350 CE LYS A 22 0.403 15.744 11.160 1.00 0.00 C ATOM 351 NZ LYS A 22 1.150 16.356 10.026 1.00 0.00 N ATOM 0 H LYS A 22 -0.713 12.352 13.452 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.892 14.091 14.364 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.415 15.391 12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.854 14.940 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.487 12.870 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.018 14.334 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.757 13.652 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.264 14.044 9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.524 16.294 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.991 15.834 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.347 17.355 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.047 15.848 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.578 16.293 9.160 1.00 0.00 H new ATOM 365 N VAL A 23 -3.245 11.527 12.481 1.00 0.00 N ATOM 366 CA VAL A 23 -4.201 10.696 11.762 1.00 0.00 C ATOM 367 C VAL A 23 -5.362 10.283 12.660 1.00 0.00 C ATOM 368 O VAL A 23 -5.159 9.705 13.728 1.00 0.00 O ATOM 369 CB VAL A 23 -3.529 9.430 11.197 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.310 9.797 10.365 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.151 8.478 12.322 1.00 0.00 C ATOM 0 H VAL A 23 -2.371 11.057 12.717 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.583 11.298 10.937 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.242 8.922 10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.849 8.890 9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.614 10.435 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.591 10.330 10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.678 7.590 11.903 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.456 8.974 13.000 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.048 8.187 12.869 1.00 0.00 H new ATOM 381 N THR A 24 -6.578 10.580 12.217 1.00 0.00 N ATOM 382 CA THR A 24 -7.770 10.240 12.969 1.00 0.00 C ATOM 383 C THR A 24 -8.605 9.204 12.224 1.00 0.00 C ATOM 384 O THR A 24 -8.435 9.005 11.021 1.00 0.00 O ATOM 385 CB THR A 24 -8.604 11.494 13.241 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.415 11.317 14.388 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.512 11.872 12.090 1.00 0.00 C ATOM 0 H THR A 24 -6.760 11.059 11.335 1.00 0.00 H new ATOM 0 HA THR A 24 -7.460 9.810 13.921 1.00 0.00 H new ATOM 0 HB THR A 24 -7.880 12.295 13.389 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.939 12.130 14.547 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.074 12.769 12.349 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.912 12.065 11.201 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.205 11.055 11.890 1.00 0.00 H new ATOM 395 N PRO A 25 -9.520 8.528 12.933 1.00 0.00 N ATOM 396 CA PRO A 25 -10.385 7.505 12.335 1.00 0.00 C ATOM 397 C PRO A 25 -11.177 8.044 11.149 1.00 0.00 C ATOM 398 O PRO A 25 -11.418 7.331 10.175 1.00 0.00 O ATOM 399 CB PRO A 25 -11.330 7.119 13.477 1.00 0.00 C ATOM 400 CG PRO A 25 -10.600 7.495 14.721 1.00 0.00 C ATOM 401 CD PRO A 25 -9.782 8.706 14.370 1.00 0.00 C ATOM 0 HA PRO A 25 -9.811 6.666 11.941 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.280 7.649 13.400 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.557 6.053 13.459 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.296 7.715 15.531 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.963 6.679 15.062 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.324 9.630 14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.858 8.749 14.946 1.00 0.00 H new ATOM 409 N GLU A 26 -11.576 9.308 11.237 1.00 0.00 N ATOM 410 CA GLU A 26 -12.337 9.946 10.175 1.00 0.00 C ATOM 411 C GLU A 26 -11.454 10.893 9.369 1.00 0.00 C ATOM 412 O GLU A 26 -11.943 11.651 8.530 1.00 0.00 O ATOM 413 CB GLU A 26 -13.528 10.709 10.758 1.00 0.00 C ATOM 414 CG GLU A 26 -13.164 11.595 11.938 1.00 0.00 C ATOM 415 CD GLU A 26 -14.362 12.334 12.502 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.302 12.619 11.730 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.360 12.630 13.716 1.00 0.00 O ATOM 0 H GLU A 26 -11.383 9.911 12.037 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.707 9.167 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.973 11.324 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.288 9.994 11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.716 10.984 12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.410 12.317 11.626 1.00 0.00 H new ATOM 424 N SER A 27 -10.152 10.848 9.632 1.00 0.00 N ATOM 425 CA SER A 27 -9.199 11.703 8.934 1.00 0.00 C ATOM 426 C SER A 27 -9.209 11.426 7.435 1.00 0.00 C ATOM 427 O SER A 27 -9.150 10.274 7.005 1.00 0.00 O ATOM 428 CB SER A 27 -7.790 11.495 9.493 1.00 0.00 C ATOM 429 OG SER A 27 -6.830 11.454 8.452 1.00 0.00 O ATOM 0 H SER A 27 -9.732 10.228 10.324 1.00 0.00 H new ATOM 0 HA SER A 27 -9.498 12.739 9.094 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.547 12.302 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.754 10.566 10.062 1.00 0.00 H new ATOM 0 HG SER A 27 -5.938 11.322 8.835 1.00 0.00 H new ATOM 435 N HIS A 28 -9.283 12.491 6.643 1.00 0.00 N ATOM 436 CA HIS A 28 -9.299 12.369 5.197 1.00 0.00 C ATOM 437 C HIS A 28 -7.885 12.391 4.628 1.00 0.00 C ATOM 438 O HIS A 28 -6.990 13.019 5.189 1.00 0.00 O ATOM 439 CB HIS A 28 -10.130 13.485 4.573 1.00 0.00 C ATOM 440 CG HIS A 28 -11.161 12.989 3.609 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.470 12.743 3.967 1.00 0.00 N ATOM 442 CD2 HIS A 28 -11.070 12.686 2.292 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.139 12.311 2.912 1.00 0.00 C ATOM 444 NE2 HIS A 28 -12.312 12.267 1.884 1.00 0.00 N ATOM 0 H HIS A 28 -9.333 13.451 6.984 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.754 11.410 4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.625 14.047 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.465 14.179 4.058 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -12.861 12.874 4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.185 12.760 1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.184 12.040 2.894 1.00 0.00 H new ATOM 453 N PHE A 29 -7.692 11.696 3.514 1.00 0.00 N ATOM 454 CA PHE A 29 -6.388 11.631 2.874 1.00 0.00 C ATOM 455 C PHE A 29 -6.062 12.938 2.155 1.00 0.00 C ATOM 456 O PHE A 29 -6.250 14.024 2.705 1.00 0.00 O ATOM 457 CB PHE A 29 -6.336 10.458 1.891 1.00 0.00 C ATOM 458 CG PHE A 29 -5.009 9.752 1.873 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.196 9.750 2.996 1.00 0.00 C ATOM 460 CD2 PHE A 29 -4.575 9.090 0.734 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.976 9.101 2.984 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.355 8.439 0.718 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.556 8.445 1.844 1.00 0.00 C ATOM 0 H PHE A 29 -8.424 11.170 3.036 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.639 11.476 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.116 9.742 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.558 10.824 0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.520 10.261 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.196 9.083 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.352 9.107 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.028 7.926 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.603 7.937 1.833 1.00 0.00 H new ATOM 473 N VAL A 30 -5.566 12.827 0.927 1.00 0.00 N ATOM 474 CA VAL A 30 -5.206 13.997 0.136 1.00 0.00 C ATOM 475 C VAL A 30 -5.975 15.230 0.582 1.00 0.00 C ATOM 476 O VAL A 30 -5.431 16.332 0.637 1.00 0.00 O ATOM 477 CB VAL A 30 -5.462 13.763 -1.365 1.00 0.00 C ATOM 478 CG1 VAL A 30 -4.659 14.743 -2.204 1.00 0.00 C ATOM 479 CG2 VAL A 30 -5.132 12.327 -1.744 1.00 0.00 C ATOM 0 H VAL A 30 -5.404 11.936 0.458 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.141 14.163 0.296 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.520 13.934 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.853 14.562 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.950 15.762 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.596 14.609 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.319 12.179 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.083 12.126 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.758 11.646 -1.168 1.00 0.00 H new ATOM 489 N LYS A 31 -7.242 15.029 0.893 1.00 0.00 N ATOM 490 CA LYS A 31 -8.109 16.116 1.329 1.00 0.00 C ATOM 491 C LYS A 31 -7.696 16.640 2.701 1.00 0.00 C ATOM 492 O LYS A 31 -7.533 17.845 2.893 1.00 0.00 O ATOM 493 CB LYS A 31 -9.562 15.646 1.367 1.00 0.00 C ATOM 494 CG LYS A 31 -10.186 15.505 -0.010 1.00 0.00 C ATOM 495 CD LYS A 31 -11.252 14.423 -0.033 1.00 0.00 C ATOM 496 CE LYS A 31 -12.408 14.758 0.895 1.00 0.00 C ATOM 497 NZ LYS A 31 -13.618 13.945 0.592 1.00 0.00 N ATOM 0 H LYS A 31 -7.699 14.118 0.852 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.011 16.931 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.612 14.686 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.149 16.352 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.626 16.456 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.411 15.268 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.625 14.300 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.811 13.471 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.105 14.587 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.650 15.817 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.388 14.216 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.913 14.114 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.399 12.936 0.719 1.00 0.00 H new ATOM 511 N ASP A 32 -7.534 15.729 3.654 1.00 0.00 N ATOM 512 CA ASP A 32 -7.148 16.100 5.004 1.00 0.00 C ATOM 513 C ASP A 32 -5.630 16.158 5.144 1.00 0.00 C ATOM 514 O ASP A 32 -5.110 16.451 6.221 1.00 0.00 O ATOM 515 CB ASP A 32 -7.729 15.112 6.016 1.00 0.00 C ATOM 516 CG ASP A 32 -8.501 15.804 7.121 1.00 0.00 C ATOM 517 OD1 ASP A 32 -8.576 17.051 7.103 1.00 0.00 O ATOM 518 OD2 ASP A 32 -9.031 15.100 8.007 1.00 0.00 O ATOM 0 H ASP A 32 -7.665 14.727 3.513 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.550 17.093 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.387 14.412 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.920 14.526 6.453 1.00 0.00 H new ATOM 523 N LEU A 33 -4.928 15.878 4.049 1.00 0.00 N ATOM 524 CA LEU A 33 -3.467 15.897 4.040 1.00 0.00 C ATOM 525 C LEU A 33 -2.914 14.588 3.487 1.00 0.00 C ATOM 526 O LEU A 33 -2.055 13.957 4.102 1.00 0.00 O ATOM 527 CB LEU A 33 -2.921 16.137 5.449 1.00 0.00 C ATOM 528 CG LEU A 33 -3.033 17.577 5.952 1.00 0.00 C ATOM 529 CD1 LEU A 33 -3.256 17.602 7.456 1.00 0.00 C ATOM 530 CD2 LEU A 33 -1.787 18.368 5.582 1.00 0.00 C ATOM 0 H LEU A 33 -5.349 15.634 3.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.146 16.715 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.450 15.484 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.872 15.842 5.470 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.892 18.044 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.333 18.635 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.177 17.071 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.417 17.117 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.883 19.390 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.912 17.902 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.672 18.379 4.498 1.00 0.00 H new ATOM 542 N GLY A 34 -3.414 14.184 2.324 1.00 0.00 N ATOM 543 CA GLY A 34 -2.959 12.950 1.712 1.00 0.00 C ATOM 544 C GLY A 34 -1.508 13.012 1.279 1.00 0.00 C ATOM 545 O GLY A 34 -0.863 14.055 1.384 1.00 0.00 O ATOM 0 H GLY A 34 -4.125 14.689 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.088 12.130 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.583 12.727 0.847 1.00 0.00 H new ATOM 549 N LEU A 35 -0.995 11.886 0.794 1.00 0.00 N ATOM 550 CA LEU A 35 0.385 11.801 0.345 1.00 0.00 C ATOM 551 C LEU A 35 0.503 12.149 -1.137 1.00 0.00 C ATOM 552 O LEU A 35 -0.462 12.031 -1.891 1.00 0.00 O ATOM 553 CB LEU A 35 0.933 10.397 0.596 1.00 0.00 C ATOM 554 CG LEU A 35 0.364 9.312 -0.316 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.325 9.023 -1.456 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.076 8.045 0.475 1.00 0.00 C ATOM 0 H LEU A 35 -1.520 11.016 0.703 1.00 0.00 H new ATOM 0 HA LEU A 35 0.971 12.523 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.016 10.419 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.731 10.124 1.632 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.575 9.672 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.906 8.248 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.482 9.931 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.278 8.683 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.329 7.284 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.999 7.679 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.649 8.263 1.259 1.00 0.00 H new ATOM 568 N ASN A 36 1.693 12.581 -1.546 1.00 0.00 N ATOM 569 CA ASN A 36 1.940 12.949 -2.936 1.00 0.00 C ATOM 570 C ASN A 36 1.487 11.842 -3.885 1.00 0.00 C ATOM 571 O ASN A 36 1.413 10.675 -3.502 1.00 0.00 O ATOM 572 CB ASN A 36 3.428 13.241 -3.146 1.00 0.00 C ATOM 573 CG ASN A 36 3.732 13.721 -4.550 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.801 13.449 -5.096 1.00 0.00 O ATOM 575 ND2 ASN A 36 2.792 14.442 -5.138 1.00 0.00 N ATOM 0 H ASN A 36 2.502 12.685 -0.933 1.00 0.00 H new ATOM 0 HA ASN A 36 1.363 13.847 -3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.752 13.996 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.005 12.339 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.938 14.797 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.921 14.643 -4.647 1.00 0.00 H new ATOM 582 N SER A 37 1.188 12.216 -5.126 1.00 0.00 N ATOM 583 CA SER A 37 0.745 11.258 -6.130 1.00 0.00 C ATOM 584 C SER A 37 1.800 10.188 -6.361 1.00 0.00 C ATOM 585 O SER A 37 1.533 8.995 -6.227 1.00 0.00 O ATOM 586 CB SER A 37 0.428 11.972 -7.445 1.00 0.00 C ATOM 587 OG SER A 37 -0.870 11.640 -7.906 1.00 0.00 O ATOM 0 H SER A 37 1.245 13.178 -5.459 1.00 0.00 H new ATOM 0 HA SER A 37 -0.160 10.776 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.502 13.050 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.166 11.697 -8.199 1.00 0.00 H new ATOM 0 HG SER A 37 -1.049 12.111 -8.747 1.00 0.00 H new ATOM 592 N LEU A 38 2.999 10.627 -6.708 1.00 0.00 N ATOM 593 CA LEU A 38 4.102 9.709 -6.957 1.00 0.00 C ATOM 594 C LEU A 38 4.470 8.961 -5.681 1.00 0.00 C ATOM 595 O LEU A 38 5.117 7.912 -5.724 1.00 0.00 O ATOM 596 CB LEU A 38 5.315 10.458 -7.525 1.00 0.00 C ATOM 597 CG LEU A 38 6.265 11.087 -6.509 1.00 0.00 C ATOM 598 CD1 LEU A 38 6.731 12.451 -6.993 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.617 11.205 -5.139 1.00 0.00 C ATOM 0 H LEU A 38 3.235 11.613 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 38 3.782 8.978 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.886 9.764 -8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.951 11.246 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 38 7.130 10.431 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.408 12.886 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.251 12.341 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.869 13.105 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.322 11.657 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.726 11.829 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.338 10.214 -4.782 1.00 0.00 H new ATOM 611 N ASP A 39 4.033 9.498 -4.547 1.00 0.00 N ATOM 612 CA ASP A 39 4.297 8.880 -3.258 1.00 0.00 C ATOM 613 C ASP A 39 3.271 7.793 -2.989 1.00 0.00 C ATOM 614 O ASP A 39 3.562 6.790 -2.340 1.00 0.00 O ATOM 615 CB ASP A 39 4.268 9.928 -2.144 1.00 0.00 C ATOM 616 CG ASP A 39 4.259 9.303 -0.764 1.00 0.00 C ATOM 617 OD1 ASP A 39 3.835 8.134 -0.642 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.679 9.982 0.198 1.00 0.00 O ATOM 0 H ASP A 39 3.493 10.362 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 39 5.291 8.433 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.137 10.580 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.384 10.555 -2.262 1.00 0.00 H new ATOM 623 N VAL A 40 2.069 8.001 -3.512 1.00 0.00 N ATOM 624 CA VAL A 40 0.992 7.039 -3.349 1.00 0.00 C ATOM 625 C VAL A 40 1.258 5.803 -4.193 1.00 0.00 C ATOM 626 O VAL A 40 1.013 4.678 -3.761 1.00 0.00 O ATOM 627 CB VAL A 40 -0.372 7.628 -3.746 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.604 7.483 -5.236 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.487 6.956 -2.957 1.00 0.00 C ATOM 0 H VAL A 40 1.818 8.829 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 40 0.959 6.774 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.374 8.691 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.574 7.906 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.179 8.011 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.584 6.427 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.447 7.383 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.487 5.886 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.327 7.117 -1.891 1.00 0.00 H new ATOM 639 N VAL A 41 1.770 6.023 -5.401 1.00 0.00 N ATOM 640 CA VAL A 41 2.081 4.929 -6.308 1.00 0.00 C ATOM 641 C VAL A 41 3.157 4.032 -5.713 1.00 0.00 C ATOM 642 O VAL A 41 2.995 2.813 -5.644 1.00 0.00 O ATOM 643 CB VAL A 41 2.557 5.448 -7.677 1.00 0.00 C ATOM 644 CG1 VAL A 41 1.665 6.581 -8.159 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.008 5.894 -7.604 1.00 0.00 C ATOM 0 H VAL A 41 1.977 6.950 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 41 1.164 4.358 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 41 2.489 4.633 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.017 6.934 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.640 6.222 -8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.697 7.400 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.326 6.258 -8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.106 6.693 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.633 5.051 -7.309 1.00 0.00 H new ATOM 655 N GLU A 42 4.254 4.643 -5.276 1.00 0.00 N ATOM 656 CA GLU A 42 5.348 3.892 -4.676 1.00 0.00 C ATOM 657 C GLU A 42 4.856 3.109 -3.468 1.00 0.00 C ATOM 658 O GLU A 42 5.193 1.938 -3.288 1.00 0.00 O ATOM 659 CB GLU A 42 6.481 4.835 -4.268 1.00 0.00 C ATOM 660 CG GLU A 42 6.587 5.042 -2.766 1.00 0.00 C ATOM 661 CD GLU A 42 7.022 3.787 -2.035 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.234 3.482 -2.049 1.00 0.00 O ATOM 663 OE2 GLU A 42 6.153 3.107 -1.450 1.00 0.00 O ATOM 0 H GLU A 42 4.407 5.650 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 42 5.729 3.188 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.425 4.437 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.330 5.801 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.299 5.842 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.622 5.368 -2.379 1.00 0.00 H new ATOM 670 N VAL A 43 4.048 3.765 -2.649 1.00 0.00 N ATOM 671 CA VAL A 43 3.495 3.139 -1.455 1.00 0.00 C ATOM 672 C VAL A 43 2.616 1.953 -1.820 1.00 0.00 C ATOM 673 O VAL A 43 2.717 0.882 -1.221 1.00 0.00 O ATOM 674 CB VAL A 43 2.670 4.128 -0.607 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.011 5.185 -1.476 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.630 3.384 0.203 1.00 0.00 C ATOM 0 H VAL A 43 3.759 4.733 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 43 4.346 2.801 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 43 3.351 4.636 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.437 5.866 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.777 5.744 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.345 4.704 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.055 4.094 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.961 2.847 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.125 2.674 0.866 1.00 0.00 H new ATOM 686 N VAL A 44 1.759 2.150 -2.810 1.00 0.00 N ATOM 687 CA VAL A 44 0.868 1.091 -3.261 1.00 0.00 C ATOM 688 C VAL A 44 1.676 -0.122 -3.695 1.00 0.00 C ATOM 689 O VAL A 44 1.250 -1.264 -3.524 1.00 0.00 O ATOM 690 CB VAL A 44 -0.028 1.549 -4.429 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.557 2.953 -4.180 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.731 1.483 -5.747 1.00 0.00 C ATOM 0 H VAL A 44 1.661 3.031 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 44 0.224 0.831 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.879 0.871 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.187 3.258 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.143 2.963 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.279 3.645 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.081 1.810 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.604 2.134 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.052 0.458 -5.931 1.00 0.00 H new ATOM 702 N PHE A 45 2.858 0.140 -4.243 1.00 0.00 N ATOM 703 CA PHE A 45 3.745 -0.921 -4.686 1.00 0.00 C ATOM 704 C PHE A 45 4.348 -1.629 -3.480 1.00 0.00 C ATOM 705 O PHE A 45 4.745 -2.791 -3.558 1.00 0.00 O ATOM 706 CB PHE A 45 4.852 -0.356 -5.578 1.00 0.00 C ATOM 707 CG PHE A 45 4.332 0.338 -6.805 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.208 -0.139 -7.461 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.966 1.467 -7.302 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.727 0.495 -8.590 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.488 2.105 -8.431 1.00 0.00 C ATOM 712 CZ PHE A 45 3.367 1.619 -9.076 1.00 0.00 C ATOM 0 H PHE A 45 3.221 1.082 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 45 3.169 -1.640 -5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.452 0.346 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.514 -1.167 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.703 -1.016 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.842 1.852 -6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.851 0.112 -9.093 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.991 2.983 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.992 2.117 -9.958 1.00 0.00 H new ATOM 722 N ALA A 46 4.398 -0.914 -2.361 1.00 0.00 N ATOM 723 CA ALA A 46 4.935 -1.462 -1.127 1.00 0.00 C ATOM 724 C ALA A 46 3.957 -2.448 -0.509 1.00 0.00 C ATOM 725 O ALA A 46 4.247 -3.638 -0.373 1.00 0.00 O ATOM 726 CB ALA A 46 5.255 -0.343 -0.146 1.00 0.00 C ATOM 0 H ALA A 46 4.071 0.049 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 46 5.857 -1.995 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.656 -0.769 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.992 0.328 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.346 0.215 0.079 1.00 0.00 H new ATOM 732 N ILE A 47 2.790 -1.940 -0.151 1.00 0.00 N ATOM 733 CA ILE A 47 1.747 -2.763 0.441 1.00 0.00 C ATOM 734 C ILE A 47 1.427 -3.949 -0.457 1.00 0.00 C ATOM 735 O ILE A 47 1.288 -5.078 0.012 1.00 0.00 O ATOM 736 CB ILE A 47 0.458 -1.955 0.683 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.429 -0.717 -0.215 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.349 -1.558 2.147 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.887 0.546 0.482 1.00 0.00 C ATOM 0 H ILE A 47 2.540 -0.957 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 47 2.124 -3.118 1.400 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.398 -2.581 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.063 -0.893 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.586 -0.570 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.567 -0.988 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.328 -2.455 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.208 -0.947 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.840 1.383 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.238 0.747 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.913 0.419 0.828 1.00 0.00 H new ATOM 751 N GLU A 48 1.326 -3.688 -1.756 1.00 0.00 N ATOM 752 CA GLU A 48 1.030 -4.740 -2.719 1.00 0.00 C ATOM 753 C GLU A 48 2.046 -5.862 -2.591 1.00 0.00 C ATOM 754 O GLU A 48 1.714 -7.043 -2.723 1.00 0.00 O ATOM 755 CB GLU A 48 1.039 -4.177 -4.142 1.00 0.00 C ATOM 756 CG GLU A 48 0.629 -5.187 -5.200 1.00 0.00 C ATOM 757 CD GLU A 48 1.725 -6.186 -5.512 1.00 0.00 C ATOM 758 OE1 GLU A 48 2.790 -6.121 -4.861 1.00 0.00 O ATOM 759 OE2 GLU A 48 1.521 -7.033 -6.407 1.00 0.00 O ATOM 0 H GLU A 48 1.444 -2.761 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 48 0.037 -5.138 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.366 -3.321 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.039 -3.809 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.258 -5.722 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.354 -4.659 -6.113 1.00 0.00 H new ATOM 766 N GLN A 49 3.284 -5.483 -2.312 1.00 0.00 N ATOM 767 CA GLN A 49 4.358 -6.450 -2.141 1.00 0.00 C ATOM 768 C GLN A 49 4.017 -7.410 -1.009 1.00 0.00 C ATOM 769 O GLN A 49 4.175 -8.623 -1.141 1.00 0.00 O ATOM 770 CB GLN A 49 5.680 -5.739 -1.848 1.00 0.00 C ATOM 771 CG GLN A 49 6.392 -5.239 -3.094 1.00 0.00 C ATOM 772 CD GLN A 49 6.128 -6.113 -4.305 1.00 0.00 C ATOM 773 OE1 GLN A 49 6.190 -7.340 -4.226 1.00 0.00 O ATOM 774 NE2 GLN A 49 5.833 -5.482 -5.436 1.00 0.00 N ATOM 0 H GLN A 49 3.570 -4.511 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 49 4.468 -7.015 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.490 -4.895 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.339 -6.422 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.070 -4.220 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.465 -5.201 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.793 -4.463 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.647 -6.016 -6.285 1.00 0.00 H new ATOM 783 N GLU A 50 3.536 -6.855 0.102 1.00 0.00 N ATOM 784 CA GLU A 50 3.163 -7.661 1.246 1.00 0.00 C ATOM 785 C GLU A 50 1.644 -7.738 1.389 1.00 0.00 C ATOM 786 O GLU A 50 1.114 -7.783 2.499 1.00 0.00 O ATOM 787 CB GLU A 50 3.780 -7.092 2.525 1.00 0.00 C ATOM 788 CG GLU A 50 3.435 -7.886 3.774 1.00 0.00 C ATOM 789 CD GLU A 50 4.622 -8.653 4.324 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.844 -9.801 3.883 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.330 -8.106 5.195 1.00 0.00 O ATOM 0 H GLU A 50 3.398 -5.852 0.227 1.00 0.00 H new ATOM 0 HA GLU A 50 3.546 -8.669 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.864 -7.061 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.443 -6.063 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.060 -7.207 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.630 -8.585 3.545 1.00 0.00 H new ATOM 798 N PHE A 51 0.952 -7.757 0.253 1.00 0.00 N ATOM 799 CA PHE A 51 -0.499 -7.833 0.238 1.00 0.00 C ATOM 800 C PHE A 51 -1.002 -8.804 -0.832 1.00 0.00 C ATOM 801 O PHE A 51 -2.196 -9.098 -0.895 1.00 0.00 O ATOM 802 CB PHE A 51 -1.108 -6.448 0.005 1.00 0.00 C ATOM 803 CG PHE A 51 -1.647 -5.809 1.252 1.00 0.00 C ATOM 804 CD1 PHE A 51 -2.847 -6.232 1.800 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.955 -4.781 1.874 1.00 0.00 C ATOM 806 CE1 PHE A 51 -3.346 -5.643 2.946 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.449 -4.188 3.020 1.00 0.00 C ATOM 808 CZ PHE A 51 -2.647 -4.620 3.556 1.00 0.00 C ATOM 0 H PHE A 51 1.379 -7.720 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.814 -8.206 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.350 -5.796 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.912 -6.532 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.398 -7.031 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.019 -4.440 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.282 -5.982 3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.900 -3.389 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.036 -4.158 4.451 1.00 0.00 H new ATOM 818 N ILE A 52 -0.094 -9.292 -1.674 1.00 0.00 N ATOM 819 CA ILE A 52 -0.457 -10.224 -2.738 1.00 0.00 C ATOM 820 C ILE A 52 -1.630 -9.694 -3.556 1.00 0.00 C ATOM 821 O ILE A 52 -2.523 -10.449 -3.941 1.00 0.00 O ATOM 822 CB ILE A 52 -0.809 -11.622 -2.188 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.834 -11.524 -1.065 1.00 0.00 C ATOM 824 CG2 ILE A 52 0.444 -12.334 -1.706 1.00 0.00 C ATOM 825 CD1 ILE A 52 -3.223 -11.151 -1.539 1.00 0.00 C ATOM 0 H ILE A 52 0.898 -9.057 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 52 0.419 -10.317 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.250 -12.204 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.882 -12.481 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.496 -10.783 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.178 -13.318 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.141 -12.445 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.913 -11.750 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.898 -11.100 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.190 -10.180 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.582 -11.904 -2.241 1.00 0.00 H new ATOM 837 N LEU A 53 -1.618 -8.392 -3.822 1.00 0.00 N ATOM 838 CA LEU A 53 -2.675 -7.757 -4.597 1.00 0.00 C ATOM 839 C LEU A 53 -2.360 -6.285 -4.840 1.00 0.00 C ATOM 840 O LEU A 53 -1.948 -5.570 -3.927 1.00 0.00 O ATOM 841 CB LEU A 53 -4.018 -7.892 -3.875 1.00 0.00 C ATOM 842 CG LEU A 53 -5.237 -8.004 -4.791 1.00 0.00 C ATOM 843 CD1 LEU A 53 -6.077 -9.215 -4.415 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.071 -6.734 -4.724 1.00 0.00 C ATOM 0 H LEU A 53 -0.885 -7.755 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.738 -8.261 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.982 -8.773 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.151 -7.029 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.888 -8.133 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.940 -9.279 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.476 -10.119 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.417 -9.116 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.935 -6.831 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.411 -6.575 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.466 -5.884 -5.042 1.00 0.00 H new ATOM 856 N ASP A 54 -2.553 -5.840 -6.077 1.00 0.00 N ATOM 857 CA ASP A 54 -2.287 -4.458 -6.441 1.00 0.00 C ATOM 858 C ASP A 54 -3.434 -3.545 -6.018 1.00 0.00 C ATOM 859 O ASP A 54 -4.602 -3.926 -6.090 1.00 0.00 O ATOM 860 CB ASP A 54 -2.058 -4.341 -7.949 1.00 0.00 C ATOM 861 CG ASP A 54 -1.197 -5.464 -8.492 1.00 0.00 C ATOM 862 OD1 ASP A 54 0.030 -5.432 -8.269 1.00 0.00 O ATOM 863 OD2 ASP A 54 -1.751 -6.376 -9.142 1.00 0.00 O ATOM 0 H ASP A 54 -2.893 -6.420 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.386 -4.141 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.020 -4.345 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.584 -3.385 -8.168 1.00 0.00 H new ATOM 868 N ILE A 55 -3.092 -2.339 -5.577 1.00 0.00 N ATOM 869 CA ILE A 55 -4.087 -1.373 -5.144 1.00 0.00 C ATOM 870 C ILE A 55 -4.111 -0.138 -6.046 1.00 0.00 C ATOM 871 O ILE A 55 -4.831 0.821 -5.771 1.00 0.00 O ATOM 872 CB ILE A 55 -3.839 -0.926 -3.690 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.919 -2.124 -2.743 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.842 0.143 -3.287 1.00 0.00 C ATOM 875 CD1 ILE A 55 -4.139 -3.443 -3.452 1.00 0.00 C ATOM 0 H ILE A 55 -2.129 -2.009 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.052 -1.876 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.837 -0.501 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.997 -2.181 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.731 -1.962 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.654 0.449 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.739 1.005 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.853 -0.257 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.185 -4.247 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.076 -3.405 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.315 -3.628 -4.141 1.00 0.00 H new ATOM 887 N PRO A 56 -3.324 -0.140 -7.137 1.00 0.00 N ATOM 888 CA PRO A 56 -3.270 0.991 -8.070 1.00 0.00 C ATOM 889 C PRO A 56 -4.527 1.097 -8.927 1.00 0.00 C ATOM 890 O PRO A 56 -5.578 0.560 -8.575 1.00 0.00 O ATOM 891 CB PRO A 56 -2.055 0.670 -8.941 1.00 0.00 C ATOM 892 CG PRO A 56 -1.960 -0.816 -8.916 1.00 0.00 C ATOM 893 CD PRO A 56 -2.430 -1.238 -7.551 1.00 0.00 C ATOM 0 HA PRO A 56 -3.200 1.947 -7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.186 1.042 -9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.150 1.132 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.578 -1.260 -9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.936 -1.145 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.956 -2.192 -7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.596 -1.359 -6.859 1.00 0.00 H new ATOM 901 N ASP A 57 -4.412 1.792 -10.053 1.00 0.00 N ATOM 902 CA ASP A 57 -5.539 1.967 -10.962 1.00 0.00 C ATOM 903 C ASP A 57 -6.705 2.656 -10.259 1.00 0.00 C ATOM 904 O ASP A 57 -6.628 2.969 -9.071 1.00 0.00 O ATOM 905 CB ASP A 57 -5.990 0.614 -11.515 1.00 0.00 C ATOM 906 CG ASP A 57 -4.845 -0.170 -12.127 1.00 0.00 C ATOM 907 OD1 ASP A 57 -4.229 0.331 -13.090 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.566 -1.287 -11.642 1.00 0.00 O ATOM 0 H ASP A 57 -3.550 2.243 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.212 2.599 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.440 0.029 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.763 0.771 -12.268 1.00 0.00 H new ATOM 913 N HIS A 58 -7.782 2.888 -11.001 1.00 0.00 N ATOM 914 CA HIS A 58 -8.965 3.539 -10.450 1.00 0.00 C ATOM 915 C HIS A 58 -9.264 3.024 -9.046 1.00 0.00 C ATOM 916 O HIS A 58 -9.937 3.691 -8.260 1.00 0.00 O ATOM 917 CB HIS A 58 -10.172 3.306 -11.360 1.00 0.00 C ATOM 918 CG HIS A 58 -9.955 3.758 -12.770 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.983 3.919 -13.675 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.819 4.085 -13.431 1.00 0.00 C ATOM 921 CE1 HIS A 58 -10.489 4.323 -14.832 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.180 4.434 -14.710 1.00 0.00 N ATOM 0 H HIS A 58 -7.860 2.635 -11.986 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.766 4.609 -10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.416 2.244 -11.361 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.034 3.830 -10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.817 4.074 -13.028 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.060 4.528 -15.726 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.539 4.731 -15.446 1.00 0.00 H new ATOM 931 N ASP A 59 -8.761 1.833 -8.738 1.00 0.00 N ATOM 932 CA ASP A 59 -8.975 1.230 -7.429 1.00 0.00 C ATOM 933 C ASP A 59 -8.365 2.089 -6.326 1.00 0.00 C ATOM 934 O ASP A 59 -8.991 2.326 -5.292 1.00 0.00 O ATOM 935 CB ASP A 59 -8.373 -0.176 -7.387 1.00 0.00 C ATOM 936 CG ASP A 59 -9.433 -1.260 -7.406 1.00 0.00 C ATOM 937 OD1 ASP A 59 -10.572 -0.969 -7.829 1.00 0.00 O ATOM 938 OD2 ASP A 59 -9.125 -2.400 -6.999 1.00 0.00 O ATOM 0 H ASP A 59 -8.203 1.267 -9.377 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.050 1.164 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.707 -0.308 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.766 -0.281 -6.488 1.00 0.00 H new ATOM 943 N ALA A 60 -7.141 2.553 -6.553 1.00 0.00 N ATOM 944 CA ALA A 60 -6.448 3.385 -5.581 1.00 0.00 C ATOM 945 C ALA A 60 -6.899 4.837 -5.678 1.00 0.00 C ATOM 946 O ALA A 60 -6.787 5.599 -4.718 1.00 0.00 O ATOM 947 CB ALA A 60 -4.942 3.282 -5.775 1.00 0.00 C ATOM 0 H ALA A 60 -6.609 2.366 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.700 3.021 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.437 3.910 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.628 2.246 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.681 3.616 -6.779 1.00 0.00 H new ATOM 953 N GLU A 61 -7.407 5.212 -6.845 1.00 0.00 N ATOM 954 CA GLU A 61 -7.876 6.570 -7.076 1.00 0.00 C ATOM 955 C GLU A 61 -9.225 6.804 -6.404 1.00 0.00 C ATOM 956 O GLU A 61 -9.504 7.897 -5.910 1.00 0.00 O ATOM 957 CB GLU A 61 -7.985 6.848 -8.576 1.00 0.00 C ATOM 958 CG GLU A 61 -7.023 6.026 -9.418 1.00 0.00 C ATOM 959 CD GLU A 61 -5.601 6.075 -8.893 1.00 0.00 C ATOM 960 OE1 GLU A 61 -5.345 5.491 -7.820 1.00 0.00 O ATOM 961 OE2 GLU A 61 -4.745 6.698 -9.556 1.00 0.00 O ATOM 0 H GLU A 61 -7.504 4.591 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.150 7.255 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.005 6.644 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.798 7.907 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.362 4.990 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.040 6.392 -10.445 1.00 0.00 H new ATOM 968 N LYS A 62 -10.060 5.770 -6.391 1.00 0.00 N ATOM 969 CA LYS A 62 -11.381 5.861 -5.784 1.00 0.00 C ATOM 970 C LYS A 62 -11.282 5.888 -4.262 1.00 0.00 C ATOM 971 O LYS A 62 -12.290 5.806 -3.562 1.00 0.00 O ATOM 972 CB LYS A 62 -12.252 4.685 -6.228 1.00 0.00 C ATOM 973 CG LYS A 62 -11.933 3.385 -5.507 1.00 0.00 C ATOM 974 CD LYS A 62 -13.038 2.358 -5.696 1.00 0.00 C ATOM 975 CE LYS A 62 -14.347 3.016 -6.098 1.00 0.00 C ATOM 976 NZ LYS A 62 -14.306 3.526 -7.497 1.00 0.00 N ATOM 0 H LYS A 62 -9.844 4.859 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.841 6.792 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.299 4.936 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.127 4.536 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.992 2.982 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.795 3.582 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.741 1.639 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.179 1.800 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.160 2.297 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.563 3.840 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.468 4.553 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.375 3.322 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.046 3.059 -8.059 1.00 0.00 H new ATOM 990 N ILE A 63 -10.058 6.003 -3.755 1.00 0.00 N ATOM 991 CA ILE A 63 -9.828 6.039 -2.321 1.00 0.00 C ATOM 992 C ILE A 63 -9.453 7.443 -1.859 1.00 0.00 C ATOM 993 O ILE A 63 -8.473 8.022 -2.327 1.00 0.00 O ATOM 994 CB ILE A 63 -8.715 5.059 -1.904 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.127 4.290 -0.648 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.410 5.806 -1.671 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.977 2.790 -0.780 1.00 0.00 C ATOM 0 H ILE A 63 -9.212 6.073 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.762 5.740 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.561 4.343 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.525 4.634 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.165 4.524 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.634 5.099 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.111 6.312 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.549 6.543 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.287 2.310 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.601 2.433 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.935 2.545 -0.984 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.241 7.985 -0.935 1.00 0.00 N ATOM 1010 CA GLN A 64 -9.998 9.314 -0.407 1.00 0.00 C ATOM 1011 C GLN A 64 -9.720 9.264 1.091 1.00 0.00 C ATOM 1012 O GLN A 64 -8.945 10.063 1.617 1.00 0.00 O ATOM 1013 CB GLN A 64 -11.191 10.228 -0.691 1.00 0.00 C ATOM 1014 CG GLN A 64 -11.618 10.236 -2.150 1.00 0.00 C ATOM 1015 CD GLN A 64 -12.864 9.409 -2.397 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -13.954 9.949 -2.588 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.709 8.090 -2.394 1.00 0.00 N ATOM 0 H GLN A 64 -11.056 7.518 -0.538 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.117 9.719 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.034 9.913 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.939 11.245 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.800 11.263 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.804 9.853 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.787 7.685 -2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.512 7.482 -2.554 1.00 0.00 H new ATOM 1026 N SER A 65 -10.359 8.319 1.775 1.00 0.00 N ATOM 1027 CA SER A 65 -10.183 8.165 3.214 1.00 0.00 C ATOM 1028 C SER A 65 -9.011 7.240 3.524 1.00 0.00 C ATOM 1029 O SER A 65 -8.782 6.253 2.827 1.00 0.00 O ATOM 1030 CB SER A 65 -11.461 7.617 3.850 1.00 0.00 C ATOM 1031 OG SER A 65 -11.652 8.146 5.151 1.00 0.00 O ATOM 0 H SER A 65 -11.003 7.649 1.355 1.00 0.00 H new ATOM 0 HA SER A 65 -9.968 9.147 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.318 7.866 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.408 6.529 3.901 1.00 0.00 H new ATOM 0 HG SER A 65 -12.477 7.781 5.535 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.273 7.574 4.575 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.121 6.784 4.987 1.00 0.00 C ATOM 1039 C ILE A 66 -7.549 5.422 5.527 1.00 0.00 C ATOM 1040 O ILE A 66 -6.988 4.391 5.156 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.301 7.517 6.063 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -6.819 8.947 6.236 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -4.825 7.522 5.694 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -6.815 9.750 4.954 1.00 0.00 C ATOM 0 H ILE A 66 -8.453 8.390 5.159 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.502 6.639 4.102 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.414 6.990 7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.835 8.912 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.207 9.459 6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.259 8.044 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.467 6.496 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.690 8.030 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.194 10.753 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.797 9.816 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.450 9.260 4.216 1.00 0.00 H new ATOM 1056 N PRO A 67 -8.557 5.405 6.413 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.066 4.165 7.009 1.00 0.00 C ATOM 1058 C PRO A 67 -9.727 3.258 5.977 1.00 0.00 C ATOM 1059 O PRO A 67 -9.507 2.048 5.969 1.00 0.00 O ATOM 1060 CB PRO A 67 -10.096 4.652 8.032 1.00 0.00 C ATOM 1061 CG PRO A 67 -10.496 6.007 7.559 1.00 0.00 C ATOM 1062 CD PRO A 67 -9.277 6.592 6.901 1.00 0.00 C ATOM 0 HA PRO A 67 -8.267 3.567 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.954 3.981 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.669 4.694 9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.327 5.946 6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.827 6.629 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.543 7.265 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.676 7.167 7.605 1.00 0.00 H new ATOM 1070 N ASP A 68 -10.537 3.852 5.106 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.228 3.095 4.068 1.00 0.00 C ATOM 1072 C ASP A 68 -10.228 2.403 3.150 1.00 0.00 C ATOM 1073 O ASP A 68 -10.533 1.378 2.540 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.138 4.015 3.254 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.501 4.194 3.891 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -13.837 3.411 4.805 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.234 5.117 3.479 1.00 0.00 O ATOM 0 H ASP A 68 -10.731 4.853 5.098 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.839 2.333 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.661 4.989 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.260 3.606 2.251 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.034 2.973 3.058 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.983 2.419 2.218 1.00 0.00 C ATOM 1084 C ALA A 69 -7.447 1.120 2.800 1.00 0.00 C ATOM 1085 O ALA A 69 -7.557 0.055 2.193 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.859 3.428 2.044 1.00 0.00 C ATOM 0 H ALA A 69 -8.769 3.822 3.557 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.410 2.199 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.080 3.000 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.250 4.331 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.440 3.678 3.019 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.866 1.222 3.984 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.306 0.063 4.665 1.00 0.00 C ATOM 1094 C VAL A 70 -7.401 -0.924 5.054 1.00 0.00 C ATOM 1095 O VAL A 70 -7.125 -2.079 5.373 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.528 0.476 5.928 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.609 -0.616 6.986 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.081 0.790 5.585 1.00 0.00 C ATOM 0 H VAL A 70 -6.769 2.099 4.496 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.619 -0.416 3.967 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.984 1.379 6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.054 -0.307 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.652 -0.787 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.180 -1.537 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.547 1.080 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.610 -0.093 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.047 1.608 4.866 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.646 -0.457 5.028 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.784 -1.293 5.379 1.00 0.00 C ATOM 1110 C GLU A 71 -10.026 -2.368 4.322 1.00 0.00 C ATOM 1111 O GLU A 71 -10.096 -3.556 4.638 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.040 -0.436 5.545 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.247 0.070 6.964 1.00 0.00 C ATOM 1114 CD GLU A 71 -12.644 0.612 7.191 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -13.058 1.519 6.440 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -13.325 0.129 8.120 1.00 0.00 O ATOM 0 H GLU A 71 -8.890 0.498 4.767 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.558 -1.787 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.980 0.417 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.910 -1.020 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.057 -0.742 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.519 0.852 7.177 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.158 -1.944 3.069 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.397 -2.873 1.971 1.00 0.00 C ATOM 1125 C TYR A 72 -9.229 -3.834 1.800 1.00 0.00 C ATOM 1126 O TYR A 72 -9.416 -5.047 1.708 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.647 -2.109 0.669 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.505 -2.202 -0.319 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.372 -1.415 -0.173 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.563 -3.077 -1.396 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.326 -1.495 -1.072 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.521 -3.165 -2.300 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.406 -2.372 -2.133 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.366 -2.456 -3.031 1.00 0.00 O ATOM 0 H TYR A 72 -10.104 -0.965 2.789 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.285 -3.457 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.553 -2.493 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.829 -1.060 0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.306 -0.728 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.436 -3.699 -1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.451 -0.875 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.580 -3.851 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.720 -2.435 -3.945 1.00 0.00 H new ATOM 1144 N ILE A 73 -8.027 -3.282 1.757 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.824 -4.090 1.598 1.00 0.00 C ATOM 1146 C ILE A 73 -6.625 -5.018 2.787 1.00 0.00 C ATOM 1147 O ILE A 73 -6.270 -6.186 2.629 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.560 -3.220 1.424 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.666 -1.939 2.254 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.340 -2.896 -0.046 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.942 -0.759 1.642 1.00 0.00 C ATOM 0 H ILE A 73 -7.856 -2.279 1.830 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.968 -4.680 0.693 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.699 -3.784 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.718 -1.684 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.262 -2.126 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.446 -2.282 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.215 -3.822 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.202 -2.352 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.060 0.114 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.883 -0.995 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.361 -0.545 0.659 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.859 -4.485 3.977 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.709 -5.254 5.206 1.00 0.00 C ATOM 1165 C ALA A 74 -7.542 -6.526 5.161 1.00 0.00 C ATOM 1166 O ALA A 74 -7.115 -7.582 5.630 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.097 -4.409 6.410 1.00 0.00 C ATOM 0 H ALA A 74 -7.155 -3.519 4.119 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.661 -5.540 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.980 -4.997 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.454 -3.530 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.136 -4.093 6.313 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.733 -6.416 4.594 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.635 -7.550 4.482 1.00 0.00 C ATOM 1175 C GLN A 75 -9.236 -8.444 3.314 1.00 0.00 C ATOM 1176 O GLN A 75 -9.620 -9.613 3.252 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.076 -7.068 4.303 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.521 -6.073 5.364 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.860 -6.318 6.707 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -10.522 -7.452 7.047 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.672 -5.253 7.477 1.00 0.00 N ATOM 0 H GLN A 75 -9.098 -5.548 4.203 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.567 -8.130 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.177 -6.608 3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.744 -7.929 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.290 -5.062 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.603 -6.131 5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.968 -4.332 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.231 -5.356 8.391 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.460 -7.887 2.391 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.006 -8.631 1.223 1.00 0.00 C ATOM 1192 C ASN A 76 -7.214 -9.865 1.644 1.00 0.00 C ATOM 1193 O ASN A 76 -7.581 -10.992 1.314 1.00 0.00 O ATOM 1194 CB ASN A 76 -7.151 -7.738 0.323 1.00 0.00 C ATOM 1195 CG ASN A 76 -7.907 -7.264 -0.901 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -7.994 -7.969 -1.906 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -8.459 -6.060 -0.820 1.00 0.00 N ATOM 0 H ASN A 76 -8.132 -6.922 2.429 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.883 -8.958 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.808 -6.874 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.263 -8.286 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.981 -5.684 -1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.361 -5.510 0.034 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.110 -9.666 2.381 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.267 -10.765 2.849 1.00 0.00 C ATOM 1206 C PRO A 77 -5.814 -11.418 4.114 1.00 0.00 C ATOM 1207 O PRO A 77 -5.537 -12.584 4.392 1.00 0.00 O ATOM 1208 CB PRO A 77 -3.941 -10.068 3.137 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.327 -8.692 3.559 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.599 -8.357 2.818 1.00 0.00 C ATOM 0 HA PRO A 77 -5.198 -11.576 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.384 -10.582 3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.303 -10.048 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.482 -8.646 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.539 -7.978 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.313 -7.844 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.406 -7.700 1.970 1.00 0.00 H new ATOM 1218 N MET A 78 -6.590 -10.655 4.878 1.00 0.00 N ATOM 1219 CA MET A 78 -7.175 -11.156 6.116 1.00 0.00 C ATOM 1220 C MET A 78 -8.237 -12.214 5.832 1.00 0.00 C ATOM 1221 O MET A 78 -8.596 -12.998 6.710 1.00 0.00 O ATOM 1222 CB MET A 78 -7.785 -10.006 6.918 1.00 0.00 C ATOM 1223 CG MET A 78 -9.038 -10.397 7.685 1.00 0.00 C ATOM 1224 SD MET A 78 -9.394 -9.276 9.052 1.00 0.00 S ATOM 1225 CE MET A 78 -9.735 -10.445 10.367 1.00 0.00 C ATOM 0 H MET A 78 -6.828 -9.687 4.661 1.00 0.00 H new ATOM 0 HA MET A 78 -6.380 -11.617 6.701 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.042 -9.630 7.621 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.025 -9.188 6.239 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.887 -10.412 7.002 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.922 -11.410 8.071 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.973 -9.903 11.282 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.581 -11.072 10.086 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.858 -11.071 10.534 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.736 -12.228 4.601 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.758 -13.191 4.205 1.00 0.00 C ATOM 1237 C ALA A 79 -10.415 -12.788 2.890 1.00 0.00 C ATOM 1238 O ALA A 79 -11.607 -12.477 2.850 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.804 -13.327 5.300 1.00 0.00 C ATOM 0 H ALA A 79 -8.451 -11.586 3.862 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.274 -14.156 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.561 -14.048 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.327 -13.670 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.275 -12.360 5.476 1.00 0.00 H new ATOM 1245 N LYS A 80 -9.633 -12.793 1.817 1.00 0.00 N ATOM 1246 CA LYS A 80 -10.138 -12.426 0.498 1.00 0.00 C ATOM 1247 C LYS A 80 -11.620 -12.765 0.372 1.00 0.00 C ATOM 1248 O LYS A 80 -12.407 -11.855 0.039 1.00 0.00 O ATOM 1249 CB LYS A 80 -9.343 -13.145 -0.593 1.00 0.00 C ATOM 1250 CG LYS A 80 -7.940 -12.592 -0.787 1.00 0.00 C ATOM 1251 CD LYS A 80 -6.932 -13.309 0.098 1.00 0.00 C ATOM 1252 CE LYS A 80 -6.169 -14.372 -0.676 1.00 0.00 C ATOM 1253 NZ LYS A 80 -4.696 -14.166 -0.598 1.00 0.00 N ATOM 1254 OXT LYS A 80 -11.981 -13.938 0.604 1.00 0.00 O ATOM 0 H LYS A 80 -8.645 -13.047 1.834 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.018 -11.350 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.276 -14.204 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.887 -13.073 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.648 -12.696 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.933 -11.526 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.230 -12.585 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.448 -13.770 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.419 -15.357 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.483 -14.357 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.356 -13.751 -1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.477 -13.523 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.226 -15.080 -0.440 1.00 0.00 H new