USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 5 SER OG : rot 180:sc= 0.107 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -172:sc= 0.12 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -105:sc= 0.12 (180deg=-0.0121) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 8 MET CE :methyl 151:sc= 0 (180deg=-0.634) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 0.496 (180deg=-0.429!) USER MOD Single : A 16 TYR OH : rot 110:sc= 0 USER MOD Single : A 19 SER OG : rot 64:sc= -0.253 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.245 K(o=-0.25,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0.811 (180deg=0.438) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.0817 (180deg=-0.494) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.64! C(o=-1.6!,f=-4.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 51 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=0) USER MOD Single : A 52 TYR OH : rot 43:sc= -4.67! USER MOD Single : A 54 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.022) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -13.7! C(o=-14!,f=-12!) USER MOD Single : A 68 THR OG1 : rot 107:sc= 1.2 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 64:sc= 0.691 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.073 1.616 -0.782 1.00 0.00 N ATOM 2 CA ARG A 1 12.928 2.365 -0.295 1.00 0.00 C ATOM 3 C ARG A 1 13.136 3.863 -0.521 1.00 0.00 C ATOM 4 O ARG A 1 14.159 4.275 -1.066 1.00 0.00 O ATOM 5 CB ARG A 1 12.696 2.108 1.196 1.00 0.00 C ATOM 6 CG ARG A 1 13.869 2.628 2.030 1.00 0.00 C ATOM 7 CD ARG A 1 13.400 3.077 3.416 1.00 0.00 C ATOM 8 NE ARG A 1 14.212 2.416 4.462 1.00 0.00 N ATOM 9 CZ ARG A 1 15.526 2.616 4.632 1.00 0.00 C ATOM 10 NH1 ARG A 1 16.185 3.458 3.824 1.00 0.00 N ATOM 11 NH2 ARG A 1 16.181 1.974 5.609 1.00 0.00 N ATOM 0 H1 ARG A 1 13.827 1.149 -1.678 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.871 2.264 -0.938 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.342 0.898 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 1 12.053 2.030 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.774 2.596 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.567 1.040 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.622 1.846 2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.344 3.463 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.487 4.160 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.347 2.830 3.551 1.00 0.00 H new ATOM 0 HE ARG A 1 13.742 1.767 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.686 3.946 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.185 3.611 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.679 1.333 6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 1 17.181 2.126 5.738 1.00 0.00 H new ATOM 25 N SER A 2 12.151 4.637 -0.092 1.00 0.00 N ATOM 26 CA SER A 2 12.213 6.081 -0.240 1.00 0.00 C ATOM 27 C SER A 2 11.851 6.475 -1.674 1.00 0.00 C ATOM 28 O SER A 2 12.578 7.232 -2.316 1.00 0.00 O ATOM 29 CB SER A 2 13.601 6.612 0.121 1.00 0.00 C ATOM 30 OG SER A 2 13.543 7.922 0.678 1.00 0.00 O ATOM 0 H SER A 2 11.304 4.291 0.359 1.00 0.00 H new ATOM 0 HA SER A 2 11.493 6.527 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.074 5.936 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.228 6.625 -0.771 1.00 0.00 H new ATOM 0 HG SER A 2 14.449 8.225 0.897 1.00 0.00 H new ATOM 36 N ALA A 3 10.728 5.943 -2.134 1.00 0.00 N ATOM 37 CA ALA A 3 10.261 6.230 -3.480 1.00 0.00 C ATOM 38 C ALA A 3 8.937 5.501 -3.722 1.00 0.00 C ATOM 39 O ALA A 3 7.865 6.087 -3.569 1.00 0.00 O ATOM 40 CB ALA A 3 11.338 5.832 -4.490 1.00 0.00 C ATOM 0 H ALA A 3 10.128 5.315 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 3 10.077 7.297 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.988 6.047 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.248 6.398 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.547 4.766 -4.398 1.00 0.00 H new ATOM 46 N LEU A 4 9.054 4.236 -4.095 1.00 0.00 N ATOM 47 CA LEU A 4 7.880 3.422 -4.359 1.00 0.00 C ATOM 48 C LEU A 4 7.213 3.052 -3.033 1.00 0.00 C ATOM 49 O LEU A 4 5.987 3.011 -2.941 1.00 0.00 O ATOM 50 CB LEU A 4 8.250 2.213 -5.221 1.00 0.00 C ATOM 51 CG LEU A 4 7.603 2.154 -6.606 1.00 0.00 C ATOM 52 CD1 LEU A 4 6.089 2.348 -6.513 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.253 3.160 -7.558 1.00 0.00 C ATOM 0 H LEU A 4 9.944 3.754 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 4 7.148 3.985 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.333 2.199 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.981 1.308 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 4 7.775 1.161 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.654 2.302 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.659 1.561 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.873 3.319 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.775 3.097 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.134 4.167 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.314 2.933 -7.658 1.00 0.00 H new ATOM 65 N SER A 5 8.049 2.789 -2.040 1.00 0.00 N ATOM 66 CA SER A 5 7.556 2.423 -0.723 1.00 0.00 C ATOM 67 C SER A 5 6.516 3.442 -0.252 1.00 0.00 C ATOM 68 O SER A 5 5.507 3.073 0.346 1.00 0.00 O ATOM 69 CB SER A 5 8.701 2.327 0.287 1.00 0.00 C ATOM 70 OG SER A 5 9.430 1.110 0.153 1.00 0.00 O ATOM 0 H SER A 5 9.065 2.822 -2.121 1.00 0.00 H new ATOM 0 HA SER A 5 7.087 1.441 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.377 3.171 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.300 2.400 1.298 1.00 0.00 H new ATOM 0 HG SER A 5 10.153 1.087 0.814 1.00 0.00 H new ATOM 76 N CYS A 6 6.799 4.704 -0.539 1.00 0.00 N ATOM 77 CA CYS A 6 5.901 5.779 -0.152 1.00 0.00 C ATOM 78 C CYS A 6 4.638 5.682 -1.009 1.00 0.00 C ATOM 79 O CYS A 6 3.535 5.539 -0.484 1.00 0.00 O ATOM 80 CB CYS A 6 6.571 7.149 -0.276 1.00 0.00 C ATOM 81 SG CYS A 6 5.564 8.553 0.323 1.00 0.00 S ATOM 0 H CYS A 6 7.637 5.006 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 6 5.635 5.672 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.509 7.130 0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.823 7.321 -1.322 1.00 0.00 H new ATOM 86 N GLN A 7 4.841 5.763 -2.317 1.00 0.00 N ATOM 87 CA GLN A 7 3.732 5.686 -3.252 1.00 0.00 C ATOM 88 C GLN A 7 2.863 4.465 -2.946 1.00 0.00 C ATOM 89 O GLN A 7 1.656 4.592 -2.746 1.00 0.00 O ATOM 90 CB GLN A 7 4.235 5.652 -4.697 1.00 0.00 C ATOM 91 CG GLN A 7 4.228 7.054 -5.313 1.00 0.00 C ATOM 92 CD GLN A 7 3.803 7.005 -6.781 1.00 0.00 C ATOM 93 OE1 GLN A 7 4.313 6.234 -7.577 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.842 7.869 -7.094 1.00 0.00 N ATOM 0 H GLN A 7 5.757 5.881 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 7 3.121 6.581 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.245 5.244 -4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.606 4.987 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.547 7.697 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.221 7.495 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.459 8.487 -6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.488 7.914 -8.050 1.00 0.00 H new ATOM 103 N MET A 8 3.509 3.309 -2.918 1.00 0.00 N ATOM 104 CA MET A 8 2.811 2.066 -2.639 1.00 0.00 C ATOM 105 C MET A 8 1.905 2.210 -1.414 1.00 0.00 C ATOM 106 O MET A 8 0.766 1.747 -1.423 1.00 0.00 O ATOM 107 CB MET A 8 3.829 0.952 -2.393 1.00 0.00 C ATOM 108 CG MET A 8 4.613 0.634 -3.668 1.00 0.00 C ATOM 109 SD MET A 8 6.143 -0.188 -3.255 1.00 0.00 S ATOM 110 CE MET A 8 6.270 -1.315 -4.633 1.00 0.00 C ATOM 0 H MET A 8 4.510 3.207 -3.084 1.00 0.00 H new ATOM 0 HA MET A 8 2.190 1.818 -3.500 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.518 1.252 -1.603 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.316 0.056 -2.044 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.016 0.000 -4.324 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.821 1.553 -4.216 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.320 -1.522 -4.838 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.757 -2.246 -4.390 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.810 -0.866 -5.514 1.00 0.00 H new ATOM 120 N CYS A 9 2.446 2.853 -0.390 1.00 0.00 N ATOM 121 CA CYS A 9 1.700 3.063 0.840 1.00 0.00 C ATOM 122 C CYS A 9 0.428 3.845 0.503 1.00 0.00 C ATOM 123 O CYS A 9 -0.597 3.683 1.163 1.00 0.00 O ATOM 124 CB CYS A 9 2.544 3.776 1.898 1.00 0.00 C ATOM 125 SG CYS A 9 1.582 4.645 3.189 1.00 0.00 S ATOM 0 H CYS A 9 3.392 3.236 -0.386 1.00 0.00 H new ATOM 0 HA CYS A 9 1.429 2.100 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.193 3.044 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.192 4.497 1.400 1.00 0.00 H new ATOM 130 N GLU A 10 0.538 4.675 -0.524 1.00 0.00 N ATOM 131 CA GLU A 10 -0.591 5.482 -0.955 1.00 0.00 C ATOM 132 C GLU A 10 -1.553 4.641 -1.798 1.00 0.00 C ATOM 133 O GLU A 10 -2.652 5.090 -2.125 1.00 0.00 O ATOM 134 CB GLU A 10 -0.119 6.715 -1.729 1.00 0.00 C ATOM 135 CG GLU A 10 -0.148 7.962 -0.843 1.00 0.00 C ATOM 136 CD GLU A 10 0.776 9.049 -1.395 1.00 0.00 C ATOM 137 OE1 GLU A 10 1.996 8.782 -1.454 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.242 10.122 -1.749 1.00 0.00 O ATOM 0 H GLU A 10 1.390 4.806 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.123 5.830 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.893 6.551 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.756 6.868 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.167 8.344 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.158 7.700 0.170 1.00 0.00 H new ATOM 146 N LEU A 11 -1.106 3.438 -2.125 1.00 0.00 N ATOM 147 CA LEU A 11 -1.913 2.531 -2.923 1.00 0.00 C ATOM 148 C LEU A 11 -2.755 1.654 -1.995 1.00 0.00 C ATOM 149 O LEU A 11 -3.920 1.384 -2.278 1.00 0.00 O ATOM 150 CB LEU A 11 -1.030 1.737 -3.887 1.00 0.00 C ATOM 151 CG LEU A 11 -1.738 0.653 -4.705 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.795 1.263 -5.626 1.00 0.00 C ATOM 153 CD2 LEU A 11 -0.727 -0.199 -5.477 1.00 0.00 C ATOM 0 H LEU A 11 -0.195 3.070 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.608 3.090 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.559 2.437 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.230 1.268 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.258 -0.011 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.282 0.471 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.538 1.790 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.319 1.963 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.256 -0.961 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.159 0.437 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.045 -0.680 -4.775 1.00 0.00 H new ATOM 165 N VAL A 12 -2.131 1.233 -0.904 1.00 0.00 N ATOM 166 CA VAL A 12 -2.809 0.392 0.068 1.00 0.00 C ATOM 167 C VAL A 12 -3.825 1.232 0.844 1.00 0.00 C ATOM 168 O VAL A 12 -4.972 0.823 1.016 1.00 0.00 O ATOM 169 CB VAL A 12 -1.782 -0.291 0.975 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.684 -0.964 0.149 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.187 0.702 1.974 1.00 0.00 C ATOM 0 H VAL A 12 -1.164 1.459 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.361 -0.403 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.298 -1.066 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.033 -1.442 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.129 -1.715 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.173 -0.215 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.461 0.191 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.693 1.510 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.982 1.114 2.595 1.00 0.00 H new ATOM 181 N VAL A 13 -3.368 2.394 1.289 1.00 0.00 N ATOM 182 CA VAL A 13 -4.224 3.295 2.041 1.00 0.00 C ATOM 183 C VAL A 13 -5.401 3.724 1.166 1.00 0.00 C ATOM 184 O VAL A 13 -6.557 3.486 1.511 1.00 0.00 O ATOM 185 CB VAL A 13 -3.406 4.478 2.565 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.284 4.002 3.490 1.00 0.00 C ATOM 187 CG2 VAL A 13 -2.847 5.311 1.409 1.00 0.00 C ATOM 0 H VAL A 13 -2.417 2.732 1.143 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.636 2.789 2.914 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.072 5.115 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.718 4.862 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.713 3.471 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.620 3.334 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.270 6.145 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.203 4.687 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.670 5.694 0.806 1.00 0.00 H new ATOM 197 N LYS A 14 -5.068 4.350 0.046 1.00 0.00 N ATOM 198 CA LYS A 14 -6.084 4.815 -0.883 1.00 0.00 C ATOM 199 C LYS A 14 -7.128 3.714 -1.084 1.00 0.00 C ATOM 200 O LYS A 14 -8.303 4.001 -1.302 1.00 0.00 O ATOM 201 CB LYS A 14 -5.440 5.296 -2.185 1.00 0.00 C ATOM 202 CG LYS A 14 -6.501 5.579 -3.250 1.00 0.00 C ATOM 203 CD LYS A 14 -6.043 6.689 -4.199 1.00 0.00 C ATOM 204 CE LYS A 14 -6.305 6.306 -5.657 1.00 0.00 C ATOM 205 NZ LYS A 14 -7.359 7.167 -6.238 1.00 0.00 N ATOM 0 H LYS A 14 -4.108 4.546 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.606 5.680 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.860 6.199 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.744 4.541 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.703 4.671 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.435 5.869 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.568 7.614 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.980 6.880 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.387 6.405 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.608 5.261 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.524 6.894 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.239 7.052 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.056 8.161 -6.200 1.00 0.00 H new ATOM 219 N LYS A 15 -6.659 2.477 -1.002 1.00 0.00 N ATOM 220 CA LYS A 15 -7.537 1.332 -1.172 1.00 0.00 C ATOM 221 C LYS A 15 -8.333 1.110 0.116 1.00 0.00 C ATOM 222 O LYS A 15 -9.523 0.802 0.068 1.00 0.00 O ATOM 223 CB LYS A 15 -6.739 0.107 -1.620 1.00 0.00 C ATOM 224 CG LYS A 15 -6.369 0.205 -3.102 1.00 0.00 C ATOM 225 CD LYS A 15 -7.620 0.187 -3.982 1.00 0.00 C ATOM 226 CE LYS A 15 -7.255 -0.055 -5.448 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.402 -0.644 -6.177 1.00 0.00 N ATOM 0 H LYS A 15 -5.683 2.243 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.260 1.521 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.833 0.020 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.324 -0.796 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.808 1.122 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.717 -0.625 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.299 -0.593 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.150 1.135 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.963 0.885 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.396 -0.723 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.331 -0.406 -7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.392 -1.678 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.290 -0.263 -5.793 1.00 0.00 H new ATOM 241 N TYR A 16 -7.644 1.275 1.235 1.00 0.00 N ATOM 242 CA TYR A 16 -8.272 1.096 2.534 1.00 0.00 C ATOM 243 C TYR A 16 -9.113 2.318 2.908 1.00 0.00 C ATOM 244 O TYR A 16 -10.341 2.253 2.909 1.00 0.00 O ATOM 245 CB TYR A 16 -7.128 0.952 3.539 1.00 0.00 C ATOM 246 CG TYR A 16 -7.588 0.851 4.995 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.926 0.680 5.285 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.664 0.931 6.017 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.358 0.584 6.656 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.097 0.834 7.388 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.423 0.666 7.639 1.00 0.00 C ATOM 252 OH TYR A 16 -8.832 0.575 8.933 1.00 0.00 O ATOM 0 H TYR A 16 -6.657 1.531 1.270 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.932 0.229 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.548 0.063 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.460 1.807 3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.649 0.618 4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.617 1.066 5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.402 0.450 6.897 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.385 0.893 8.198 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.528 -0.276 9.313 1.00 0.00 H new ATOM 262 N GLU A 17 -8.419 3.403 3.219 1.00 0.00 N ATOM 263 CA GLU A 17 -9.086 4.637 3.595 1.00 0.00 C ATOM 264 C GLU A 17 -10.309 4.872 2.704 1.00 0.00 C ATOM 265 O GLU A 17 -11.333 5.370 3.168 1.00 0.00 O ATOM 266 CB GLU A 17 -8.123 5.824 3.528 1.00 0.00 C ATOM 267 CG GLU A 17 -7.860 6.236 2.078 1.00 0.00 C ATOM 268 CD GLU A 17 -9.032 7.044 1.517 1.00 0.00 C ATOM 269 OE1 GLU A 17 -9.647 7.782 2.315 1.00 0.00 O ATOM 270 OE2 GLU A 17 -9.287 6.904 0.300 1.00 0.00 O ATOM 0 H GLU A 17 -7.400 3.453 3.218 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.424 4.544 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.540 6.667 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.182 5.561 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.946 6.828 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.700 5.348 1.467 1.00 0.00 H new ATOM 278 N GLY A 18 -10.160 4.502 1.440 1.00 0.00 N ATOM 279 CA GLY A 18 -11.239 4.666 0.481 1.00 0.00 C ATOM 280 C GLY A 18 -11.682 3.314 -0.082 1.00 0.00 C ATOM 281 O GLY A 18 -11.847 3.165 -1.291 1.00 0.00 O ATOM 0 H GLY A 18 -9.309 4.089 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.085 5.159 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.912 5.313 -0.333 1.00 0.00 H new ATOM 285 N SER A 19 -11.863 2.363 0.823 1.00 0.00 N ATOM 286 CA SER A 19 -12.285 1.028 0.432 1.00 0.00 C ATOM 287 C SER A 19 -13.808 0.916 0.515 1.00 0.00 C ATOM 288 O SER A 19 -14.455 0.489 -0.440 1.00 0.00 O ATOM 289 CB SER A 19 -11.625 -0.037 1.311 1.00 0.00 C ATOM 290 OG SER A 19 -11.148 -1.140 0.544 1.00 0.00 O ATOM 0 H SER A 19 -11.725 2.490 1.826 1.00 0.00 H new ATOM 0 HA SER A 19 -11.970 0.857 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.796 0.409 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.342 -0.393 2.051 1.00 0.00 H new ATOM 0 HG SER A 19 -10.437 -0.836 -0.059 1.00 0.00 H new ATOM 296 N ALA A 20 -14.337 1.305 1.666 1.00 0.00 N ATOM 297 CA ALA A 20 -15.773 1.253 1.886 1.00 0.00 C ATOM 298 C ALA A 20 -16.185 -0.189 2.189 1.00 0.00 C ATOM 299 O ALA A 20 -17.364 -0.470 2.398 1.00 0.00 O ATOM 300 CB ALA A 20 -16.497 1.822 0.665 1.00 0.00 C ATOM 0 H ALA A 20 -13.797 1.658 2.456 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.053 1.864 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.574 1.783 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.191 2.857 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.243 1.232 -0.216 1.00 0.00 H new ATOM 306 N ASP A 21 -15.191 -1.065 2.204 1.00 0.00 N ATOM 307 CA ASP A 21 -15.436 -2.470 2.478 1.00 0.00 C ATOM 308 C ASP A 21 -14.816 -2.838 3.828 1.00 0.00 C ATOM 309 O ASP A 21 -15.078 -3.915 4.362 1.00 0.00 O ATOM 310 CB ASP A 21 -14.801 -3.359 1.407 1.00 0.00 C ATOM 311 CG ASP A 21 -15.712 -4.454 0.851 1.00 0.00 C ATOM 312 OD1 ASP A 21 -16.907 -4.148 0.644 1.00 0.00 O ATOM 313 OD2 ASP A 21 -15.196 -5.574 0.645 1.00 0.00 O ATOM 0 H ASP A 21 -14.214 -0.828 2.031 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.514 -2.629 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.471 -2.728 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.910 -3.827 1.826 1.00 0.00 H new ATOM 319 N LYS A 22 -14.006 -1.923 4.339 1.00 0.00 N ATOM 320 CA LYS A 22 -13.347 -2.139 5.617 1.00 0.00 C ATOM 321 C LYS A 22 -12.782 -3.559 5.661 1.00 0.00 C ATOM 322 O LYS A 22 -13.020 -4.295 6.617 1.00 0.00 O ATOM 323 CB LYS A 22 -14.298 -1.817 6.771 1.00 0.00 C ATOM 324 CG LYS A 22 -15.107 -0.552 6.480 1.00 0.00 C ATOM 325 CD LYS A 22 -14.215 0.691 6.519 1.00 0.00 C ATOM 326 CE LYS A 22 -14.539 1.560 7.736 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.297 2.110 8.324 1.00 0.00 N ATOM 0 H LYS A 22 -13.791 -1.031 3.893 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.504 -1.458 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.975 -2.656 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.728 -1.684 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.579 -0.635 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.908 -0.452 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.168 0.391 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.353 1.271 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.202 2.374 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.071 0.969 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.534 2.697 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.678 1.329 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.805 2.691 7.615 1.00 0.00 H new ATOM 341 N ASP A 23 -12.046 -3.902 4.615 1.00 0.00 N ATOM 342 CA ASP A 23 -11.446 -5.223 4.523 1.00 0.00 C ATOM 343 C ASP A 23 -9.997 -5.088 4.052 1.00 0.00 C ATOM 344 O ASP A 23 -9.744 -4.784 2.887 1.00 0.00 O ATOM 345 CB ASP A 23 -12.191 -6.097 3.514 1.00 0.00 C ATOM 346 CG ASP A 23 -12.170 -7.597 3.818 1.00 0.00 C ATOM 347 OD1 ASP A 23 -11.775 -7.940 4.953 1.00 0.00 O ATOM 348 OD2 ASP A 23 -12.548 -8.366 2.908 1.00 0.00 O ATOM 0 H ASP A 23 -11.851 -3.289 3.824 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.497 -5.686 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.228 -5.766 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.758 -5.936 2.527 1.00 0.00 H new ATOM 354 N ALA A 24 -9.081 -5.320 4.982 1.00 0.00 N ATOM 355 CA ALA A 24 -7.663 -5.227 4.676 1.00 0.00 C ATOM 356 C ALA A 24 -7.299 -6.296 3.642 1.00 0.00 C ATOM 357 O ALA A 24 -6.200 -6.279 3.090 1.00 0.00 O ATOM 358 CB ALA A 24 -6.853 -5.364 5.966 1.00 0.00 C ATOM 0 H ALA A 24 -9.293 -5.572 5.947 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.425 -4.255 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.790 -5.294 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.129 -4.566 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.063 -6.330 6.426 1.00 0.00 H new ATOM 364 N ASN A 25 -8.242 -7.198 3.413 1.00 0.00 N ATOM 365 CA ASN A 25 -8.033 -8.271 2.456 1.00 0.00 C ATOM 366 C ASN A 25 -8.289 -7.745 1.043 1.00 0.00 C ATOM 367 O ASN A 25 -7.467 -7.932 0.148 1.00 0.00 O ATOM 368 CB ASN A 25 -8.998 -9.431 2.710 1.00 0.00 C ATOM 369 CG ASN A 25 -8.260 -10.772 2.695 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.083 -10.858 2.388 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.016 -11.808 3.044 1.00 0.00 N ATOM 0 H ASN A 25 -9.152 -7.208 3.873 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.007 -8.624 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.491 -9.294 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.778 -9.433 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.617 -12.746 3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.996 -11.665 3.290 1.00 0.00 H new ATOM 378 N VAL A 26 -9.434 -7.096 0.885 1.00 0.00 N ATOM 379 CA VAL A 26 -9.808 -6.541 -0.405 1.00 0.00 C ATOM 380 C VAL A 26 -9.018 -5.255 -0.651 1.00 0.00 C ATOM 381 O VAL A 26 -9.067 -4.691 -1.743 1.00 0.00 O ATOM 382 CB VAL A 26 -11.323 -6.332 -0.464 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.807 -6.241 -1.913 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.059 -7.440 0.291 1.00 0.00 C ATOM 0 H VAL A 26 -10.115 -6.942 1.629 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.556 -7.235 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.550 -5.385 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.887 -6.093 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.319 -5.401 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.561 -7.164 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.134 -7.268 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.822 -8.405 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.747 -7.438 1.335 1.00 0.00 H new ATOM 394 N ILE A 27 -8.305 -4.830 0.383 1.00 0.00 N ATOM 395 CA ILE A 27 -7.505 -3.621 0.292 1.00 0.00 C ATOM 396 C ILE A 27 -6.108 -3.976 -0.220 1.00 0.00 C ATOM 397 O ILE A 27 -5.720 -3.567 -1.313 1.00 0.00 O ATOM 398 CB ILE A 27 -7.499 -2.880 1.630 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.877 -2.289 1.936 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.399 -1.817 1.665 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.009 -1.942 3.420 1.00 0.00 C ATOM 0 H ILE A 27 -8.265 -5.301 1.287 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.942 -2.929 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.275 -3.600 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.034 -1.394 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.653 -3.002 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.418 -1.306 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.428 -2.293 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.566 -1.094 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.998 -1.524 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.876 -2.844 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.248 -1.211 3.692 1.00 0.00 H new ATOM 413 N LYS A 28 -5.389 -4.735 0.596 1.00 0.00 N ATOM 414 CA LYS A 28 -4.044 -5.150 0.239 1.00 0.00 C ATOM 415 C LYS A 28 -4.060 -5.774 -1.158 1.00 0.00 C ATOM 416 O LYS A 28 -3.152 -5.543 -1.955 1.00 0.00 O ATOM 417 CB LYS A 28 -3.464 -6.070 1.316 1.00 0.00 C ATOM 418 CG LYS A 28 -3.954 -7.508 1.132 1.00 0.00 C ATOM 419 CD LYS A 28 -3.138 -8.479 1.987 1.00 0.00 C ATOM 420 CE LYS A 28 -3.245 -8.126 3.472 1.00 0.00 C ATOM 421 NZ LYS A 28 -4.574 -8.506 4.000 1.00 0.00 N ATOM 0 H LYS A 28 -5.713 -5.072 1.502 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.379 -4.288 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.375 -6.045 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.752 -5.707 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.007 -7.575 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.878 -7.790 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.492 -9.497 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.093 -8.452 1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.464 -8.641 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.084 -7.057 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.527 -8.583 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.272 -7.781 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.859 -9.422 3.597 1.00 0.00 H new ATOM 435 N LYS A 29 -5.103 -6.552 -1.412 1.00 0.00 N ATOM 436 CA LYS A 29 -5.249 -7.210 -2.699 1.00 0.00 C ATOM 437 C LYS A 29 -5.443 -6.154 -3.789 1.00 0.00 C ATOM 438 O LYS A 29 -4.793 -6.206 -4.831 1.00 0.00 O ATOM 439 CB LYS A 29 -6.370 -8.251 -2.644 1.00 0.00 C ATOM 440 CG LYS A 29 -5.858 -9.580 -2.085 1.00 0.00 C ATOM 441 CD LYS A 29 -7.010 -10.424 -1.537 1.00 0.00 C ATOM 442 CE LYS A 29 -8.126 -10.568 -2.574 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.690 -11.440 -3.687 1.00 0.00 N ATOM 0 H LYS A 29 -5.854 -6.741 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.343 -7.763 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.185 -7.881 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.777 -8.405 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.338 -10.132 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.133 -9.391 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.641 -11.410 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.406 -9.962 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.016 -10.986 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.401 -9.586 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.459 -11.527 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.854 -11.025 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.450 -12.382 -3.317 1.00 0.00 H new ATOM 457 N ASP A 30 -6.341 -5.220 -3.509 1.00 0.00 N ATOM 458 CA ASP A 30 -6.628 -4.153 -4.452 1.00 0.00 C ATOM 459 C ASP A 30 -5.314 -3.523 -4.919 1.00 0.00 C ATOM 460 O ASP A 30 -5.071 -3.404 -6.119 1.00 0.00 O ATOM 461 CB ASP A 30 -7.473 -3.055 -3.802 1.00 0.00 C ATOM 462 CG ASP A 30 -8.959 -3.082 -4.167 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.243 -3.226 -5.376 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.776 -2.957 -3.230 1.00 0.00 O ATOM 0 H ASP A 30 -6.879 -5.181 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.177 -4.583 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.379 -3.138 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.062 -2.086 -4.085 1.00 0.00 H new ATOM 470 N PHE A 31 -4.502 -3.135 -3.947 1.00 0.00 N ATOM 471 CA PHE A 31 -3.219 -2.521 -4.243 1.00 0.00 C ATOM 472 C PHE A 31 -2.487 -3.285 -5.349 1.00 0.00 C ATOM 473 O PHE A 31 -2.126 -2.707 -6.374 1.00 0.00 O ATOM 474 CB PHE A 31 -2.386 -2.582 -2.962 1.00 0.00 C ATOM 475 CG PHE A 31 -0.902 -2.274 -3.169 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.075 -3.225 -3.678 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.410 -1.049 -2.842 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.303 -2.940 -3.870 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.968 -0.764 -3.033 1.00 0.00 C ATOM 480 CZ PHE A 31 1.794 -1.715 -3.543 1.00 0.00 C ATOM 0 H PHE A 31 -4.708 -3.234 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.368 -1.496 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.796 -1.875 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.483 -3.576 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.466 -4.198 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.067 -0.293 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.960 -3.695 -4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.360 0.208 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.842 -1.497 -3.689 1.00 0.00 H new ATOM 490 N ASP A 32 -2.291 -4.572 -5.104 1.00 0.00 N ATOM 491 CA ASP A 32 -1.610 -5.421 -6.066 1.00 0.00 C ATOM 492 C ASP A 32 -2.390 -5.423 -7.383 1.00 0.00 C ATOM 493 O ASP A 32 -1.828 -5.703 -8.440 1.00 0.00 O ATOM 494 CB ASP A 32 -1.526 -6.865 -5.566 1.00 0.00 C ATOM 495 CG ASP A 32 -0.623 -7.785 -6.389 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.198 -7.235 -7.156 1.00 0.00 O ATOM 497 OD2 ASP A 32 -0.772 -9.015 -6.234 1.00 0.00 O ATOM 0 H ASP A 32 -2.592 -5.047 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.603 -5.028 -6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.168 -6.856 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.531 -7.287 -5.551 1.00 0.00 H new ATOM 503 N ALA A 33 -3.672 -5.106 -7.274 1.00 0.00 N ATOM 504 CA ALA A 33 -4.535 -5.066 -8.443 1.00 0.00 C ATOM 505 C ALA A 33 -4.162 -3.858 -9.306 1.00 0.00 C ATOM 506 O ALA A 33 -3.727 -4.017 -10.446 1.00 0.00 O ATOM 507 CB ALA A 33 -5.998 -5.034 -7.997 1.00 0.00 C ATOM 0 H ALA A 33 -4.134 -4.875 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.399 -5.960 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.645 -5.004 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.220 -5.927 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.173 -4.148 -7.386 1.00 0.00 H new ATOM 513 N GLU A 34 -4.346 -2.680 -8.730 1.00 0.00 N ATOM 514 CA GLU A 34 -4.035 -1.447 -9.431 1.00 0.00 C ATOM 515 C GLU A 34 -2.579 -1.456 -9.899 1.00 0.00 C ATOM 516 O GLU A 34 -2.290 -1.130 -11.051 1.00 0.00 O ATOM 517 CB GLU A 34 -4.321 -0.228 -8.552 1.00 0.00 C ATOM 518 CG GLU A 34 -4.108 1.072 -9.330 1.00 0.00 C ATOM 519 CD GLU A 34 -4.665 0.957 -10.752 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.871 0.648 -10.864 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.873 1.182 -11.691 1.00 0.00 O ATOM 0 H GLU A 34 -4.707 -2.553 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.678 -1.379 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.346 -0.272 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.669 -0.244 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.596 1.896 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.044 1.306 -9.370 1.00 0.00 H new ATOM 529 N CYS A 35 -1.698 -1.832 -8.983 1.00 0.00 N ATOM 530 CA CYS A 35 -0.278 -1.887 -9.289 1.00 0.00 C ATOM 531 C CYS A 35 -0.076 -2.849 -10.461 1.00 0.00 C ATOM 532 O CYS A 35 0.617 -2.523 -11.424 1.00 0.00 O ATOM 533 CB CYS A 35 0.547 -2.295 -8.067 1.00 0.00 C ATOM 534 SG CYS A 35 2.332 -2.533 -8.391 1.00 0.00 S ATOM 0 H CYS A 35 -1.940 -2.101 -8.029 1.00 0.00 H new ATOM 0 HA CYS A 35 0.075 -0.895 -9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.430 -1.533 -7.297 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.139 -3.221 -7.663 1.00 0.00 H new ATOM 539 N LYS A 36 -0.694 -4.016 -10.342 1.00 0.00 N ATOM 540 CA LYS A 36 -0.590 -5.026 -11.380 1.00 0.00 C ATOM 541 C LYS A 36 -0.674 -4.353 -12.752 1.00 0.00 C ATOM 542 O LYS A 36 0.014 -4.759 -13.688 1.00 0.00 O ATOM 543 CB LYS A 36 -1.638 -6.122 -11.167 1.00 0.00 C ATOM 544 CG LYS A 36 -1.009 -7.367 -10.539 1.00 0.00 C ATOM 545 CD LYS A 36 0.046 -7.975 -11.464 1.00 0.00 C ATOM 546 CE LYS A 36 0.083 -9.499 -11.328 1.00 0.00 C ATOM 547 NZ LYS A 36 -1.164 -10.096 -11.856 1.00 0.00 N ATOM 0 H LYS A 36 -1.268 -4.283 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 36 0.377 -5.526 -11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.434 -5.748 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.095 -6.383 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.553 -7.106 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.784 -8.105 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.171 -7.704 -12.497 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.026 -7.561 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.941 -9.898 -11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.210 -9.774 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.970 -11.058 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.877 -10.135 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.522 -9.514 -12.640 1.00 0.00 H new ATOM 561 N LYS A 37 -1.521 -3.338 -12.826 1.00 0.00 N ATOM 562 CA LYS A 37 -1.703 -2.605 -14.068 1.00 0.00 C ATOM 563 C LYS A 37 -0.791 -1.376 -14.069 1.00 0.00 C ATOM 564 O LYS A 37 0.001 -1.186 -14.991 1.00 0.00 O ATOM 565 CB LYS A 37 -3.181 -2.274 -14.283 1.00 0.00 C ATOM 566 CG LYS A 37 -3.365 -1.338 -15.480 1.00 0.00 C ATOM 567 CD LYS A 37 -4.219 -0.126 -15.102 1.00 0.00 C ATOM 568 CE LYS A 37 -5.649 -0.280 -15.623 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.582 0.550 -14.828 1.00 0.00 N ATOM 0 H LYS A 37 -2.089 -3.005 -12.047 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.411 -3.220 -14.919 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.743 -3.193 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.587 -1.807 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.391 -1.004 -15.838 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.838 -1.879 -16.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.233 -0.010 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.774 0.780 -15.513 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.694 0.014 -16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.950 -1.326 -15.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.548 0.434 -15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.551 0.250 -13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.303 1.549 -14.898 1.00 0.00 H new ATOM 583 N LEU A 38 -0.933 -0.574 -13.024 1.00 0.00 N ATOM 584 CA LEU A 38 -0.131 0.631 -12.892 1.00 0.00 C ATOM 585 C LEU A 38 1.329 0.305 -13.209 1.00 0.00 C ATOM 586 O LEU A 38 1.980 1.025 -13.965 1.00 0.00 O ATOM 587 CB LEU A 38 -0.334 1.261 -11.512 1.00 0.00 C ATOM 588 CG LEU A 38 0.920 1.401 -10.647 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.730 2.634 -11.052 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.563 1.412 -9.160 1.00 0.00 C ATOM 0 H LEU A 38 -1.591 -0.735 -12.261 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.453 1.383 -13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.770 2.251 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.063 0.663 -10.965 1.00 0.00 H new ATOM 0 HG LEU A 38 1.552 0.530 -10.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.616 2.710 -10.422 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.033 2.544 -12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.119 3.528 -10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.473 1.512 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.100 2.251 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.062 0.480 -8.899 1.00 0.00 H new ATOM 602 N PHE A 39 1.802 -0.782 -12.617 1.00 0.00 N ATOM 603 CA PHE A 39 3.174 -1.212 -12.828 1.00 0.00 C ATOM 604 C PHE A 39 3.220 -2.591 -13.490 1.00 0.00 C ATOM 605 O PHE A 39 4.019 -3.443 -13.102 1.00 0.00 O ATOM 606 CB PHE A 39 3.833 -1.299 -11.449 1.00 0.00 C ATOM 607 CG PHE A 39 4.461 0.013 -10.977 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.201 1.169 -11.642 1.00 0.00 C ATOM 609 CD2 PHE A 39 5.280 0.022 -9.891 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.785 2.387 -11.203 1.00 0.00 C ATOM 611 CE2 PHE A 39 5.864 1.239 -9.452 1.00 0.00 C ATOM 612 CZ PHE A 39 5.604 2.397 -10.117 1.00 0.00 C ATOM 0 H PHE A 39 1.260 -1.378 -11.991 1.00 0.00 H new ATOM 0 HA PHE A 39 3.689 -0.507 -13.481 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.087 -1.616 -10.720 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.603 -2.070 -11.473 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.550 1.162 -12.504 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.486 -0.897 -9.363 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.579 3.306 -11.732 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.515 1.246 -8.590 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.047 3.323 -9.783 1.00 0.00 H new ATOM 622 N HIS A 40 2.353 -2.768 -14.477 1.00 0.00 N ATOM 623 CA HIS A 40 2.286 -4.029 -15.195 1.00 0.00 C ATOM 624 C HIS A 40 3.562 -4.221 -16.016 1.00 0.00 C ATOM 625 O HIS A 40 3.925 -5.347 -16.352 1.00 0.00 O ATOM 626 CB HIS A 40 1.016 -4.101 -16.047 1.00 0.00 C ATOM 627 CG HIS A 40 1.272 -4.043 -17.534 1.00 0.00 C ATOM 628 ND1 HIS A 40 2.050 -4.976 -18.198 1.00 0.00 N ATOM 629 CD2 HIS A 40 0.843 -3.157 -18.479 1.00 0.00 C ATOM 630 CE1 HIS A 40 2.081 -4.655 -19.483 1.00 0.00 C ATOM 631 NE2 HIS A 40 1.333 -3.527 -19.655 1.00 0.00 N ATOM 0 H HIS A 40 1.692 -2.060 -14.796 1.00 0.00 H new ATOM 0 HA HIS A 40 2.226 -4.854 -14.485 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.487 -5.025 -15.815 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.357 -3.278 -15.769 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.519 -5.774 -17.771 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.211 -2.300 -18.300 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.606 -5.192 -20.259 1.00 0.00 H new ATOM 640 N THR A 41 4.209 -3.104 -16.315 1.00 0.00 N ATOM 641 CA THR A 41 5.437 -3.135 -17.090 1.00 0.00 C ATOM 642 C THR A 41 6.650 -3.243 -16.164 1.00 0.00 C ATOM 643 O THR A 41 7.562 -4.030 -16.418 1.00 0.00 O ATOM 644 CB THR A 41 5.465 -1.893 -17.984 1.00 0.00 C ATOM 645 OG1 THR A 41 5.257 -0.811 -17.081 1.00 0.00 O ATOM 646 CG2 THR A 41 4.263 -1.825 -18.929 1.00 0.00 C ATOM 0 H THR A 41 3.905 -2.172 -16.034 1.00 0.00 H new ATOM 0 HA THR A 41 5.477 -4.016 -17.731 1.00 0.00 H new ATOM 0 HB THR A 41 6.386 -1.886 -18.567 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.262 0.034 -17.577 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.331 -0.925 -19.541 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.258 -2.703 -19.575 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.343 -1.798 -18.346 1.00 0.00 H new ATOM 654 N ILE A 42 6.622 -2.442 -15.109 1.00 0.00 N ATOM 655 CA ILE A 42 7.708 -2.438 -14.143 1.00 0.00 C ATOM 656 C ILE A 42 8.195 -3.871 -13.924 1.00 0.00 C ATOM 657 O ILE A 42 7.395 -4.805 -13.893 1.00 0.00 O ATOM 658 CB ILE A 42 7.277 -1.730 -12.856 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.968 -0.255 -13.118 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.324 -1.911 -11.755 1.00 0.00 C ATOM 661 CD1 ILE A 42 8.247 0.524 -13.435 1.00 0.00 C ATOM 0 H ILE A 42 5.864 -1.791 -14.902 1.00 0.00 H new ATOM 0 HA ILE A 42 8.556 -1.868 -14.524 1.00 0.00 H new ATOM 0 HB ILE A 42 6.355 -2.193 -12.503 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.269 -0.168 -13.950 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.480 0.179 -12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.994 -1.399 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.451 -2.973 -11.544 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.274 -1.491 -12.084 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.000 1.570 -13.617 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.934 0.455 -12.591 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.719 0.103 -14.322 1.00 0.00 H new ATOM 673 N PRO A 43 9.540 -4.005 -13.772 1.00 0.00 N ATOM 674 CA PRO A 43 10.143 -5.309 -13.557 1.00 0.00 C ATOM 675 C PRO A 43 9.900 -5.796 -12.127 1.00 0.00 C ATOM 676 O PRO A 43 9.437 -6.917 -11.919 1.00 0.00 O ATOM 677 CB PRO A 43 11.616 -5.118 -13.877 1.00 0.00 C ATOM 678 CG PRO A 43 11.868 -3.620 -13.809 1.00 0.00 C ATOM 679 CD PRO A 43 10.518 -2.922 -13.804 1.00 0.00 C ATOM 0 HA PRO A 43 9.709 -6.083 -14.189 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.243 -5.652 -13.163 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.855 -5.509 -14.866 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.432 -3.368 -12.911 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.464 -3.294 -14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.413 -2.269 -12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.391 -2.300 -14.690 1.00 0.00 H new ATOM 687 N PHE A 44 10.222 -4.929 -11.178 1.00 0.00 N ATOM 688 CA PHE A 44 10.044 -5.257 -9.773 1.00 0.00 C ATOM 689 C PHE A 44 8.874 -4.475 -9.172 1.00 0.00 C ATOM 690 O PHE A 44 8.905 -4.113 -7.996 1.00 0.00 O ATOM 691 CB PHE A 44 11.334 -4.857 -9.055 1.00 0.00 C ATOM 692 CG PHE A 44 11.945 -3.548 -9.555 1.00 0.00 C ATOM 693 CD1 PHE A 44 11.264 -2.379 -9.407 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.169 -3.551 -10.147 1.00 0.00 C ATOM 695 CE1 PHE A 44 11.832 -1.163 -9.871 1.00 0.00 C ATOM 696 CE2 PHE A 44 13.736 -2.334 -10.612 1.00 0.00 C ATOM 697 CZ PHE A 44 13.056 -1.166 -10.464 1.00 0.00 C ATOM 0 H PHE A 44 10.605 -4.000 -11.354 1.00 0.00 H new ATOM 0 HA PHE A 44 9.830 -6.320 -9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.130 -4.767 -7.988 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.066 -5.656 -9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.292 -2.376 -8.937 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.710 -4.478 -10.264 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.292 -0.235 -9.753 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.708 -2.337 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.488 -0.241 -10.817 1.00 0.00 H new ATOM 707 N GLY A 45 7.874 -4.235 -10.005 1.00 0.00 N ATOM 708 CA GLY A 45 6.696 -3.502 -9.570 1.00 0.00 C ATOM 709 C GLY A 45 5.622 -4.454 -9.040 1.00 0.00 C ATOM 710 O GLY A 45 5.132 -4.285 -7.925 1.00 0.00 O ATOM 0 H GLY A 45 7.854 -4.535 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.973 -2.791 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.295 -2.923 -10.402 1.00 0.00 H new ATOM 714 N THR A 46 5.286 -5.434 -9.867 1.00 0.00 N ATOM 715 CA THR A 46 4.278 -6.413 -9.496 1.00 0.00 C ATOM 716 C THR A 46 4.822 -7.357 -8.422 1.00 0.00 C ATOM 717 O THR A 46 4.073 -7.831 -7.570 1.00 0.00 O ATOM 718 CB THR A 46 3.829 -7.134 -10.769 1.00 0.00 C ATOM 719 OG1 THR A 46 4.941 -7.955 -11.113 1.00 0.00 O ATOM 720 CG2 THR A 46 3.683 -6.184 -11.959 1.00 0.00 C ATOM 0 H THR A 46 5.694 -5.571 -10.792 1.00 0.00 H new ATOM 0 HA THR A 46 3.405 -5.934 -9.051 1.00 0.00 H new ATOM 0 HB THR A 46 2.878 -7.635 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.735 -8.460 -11.927 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.363 -6.746 -12.836 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.941 -5.421 -11.726 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.642 -5.707 -12.164 1.00 0.00 H new ATOM 728 N ARG A 47 6.122 -7.602 -8.498 1.00 0.00 N ATOM 729 CA ARG A 47 6.775 -8.482 -7.544 1.00 0.00 C ATOM 730 C ARG A 47 6.807 -7.831 -6.159 1.00 0.00 C ATOM 731 O ARG A 47 6.289 -8.391 -5.193 1.00 0.00 O ATOM 732 CB ARG A 47 8.204 -8.805 -7.980 1.00 0.00 C ATOM 733 CG ARG A 47 8.236 -9.306 -9.426 1.00 0.00 C ATOM 734 CD ARG A 47 7.565 -10.675 -9.547 1.00 0.00 C ATOM 735 NE ARG A 47 8.542 -11.747 -9.254 1.00 0.00 N ATOM 736 CZ ARG A 47 8.767 -12.246 -8.030 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.083 -11.774 -6.979 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.673 -13.217 -7.859 1.00 0.00 N ATOM 0 H ARG A 47 6.741 -7.206 -9.206 1.00 0.00 H new ATOM 0 HA ARG A 47 6.203 -9.409 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.827 -7.915 -7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.627 -9.562 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.730 -8.590 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.269 -9.372 -9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.725 -10.739 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.162 -10.804 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 47 9.078 -12.131 -10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.392 -11.036 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.254 -12.153 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.192 -13.577 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.844 -13.597 -6.928 1.00 0.00 H new ATOM 752 N GLU A 48 7.421 -6.658 -6.105 1.00 0.00 N ATOM 753 CA GLU A 48 7.528 -5.926 -4.856 1.00 0.00 C ATOM 754 C GLU A 48 6.137 -5.565 -4.332 1.00 0.00 C ATOM 755 O GLU A 48 5.927 -5.481 -3.122 1.00 0.00 O ATOM 756 CB GLU A 48 8.392 -4.674 -5.025 1.00 0.00 C ATOM 757 CG GLU A 48 9.330 -4.490 -3.831 1.00 0.00 C ATOM 758 CD GLU A 48 8.659 -4.941 -2.532 1.00 0.00 C ATOM 759 OE1 GLU A 48 7.819 -4.165 -2.028 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.002 -6.050 -2.072 1.00 0.00 O ATOM 0 H GLU A 48 7.850 -6.197 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 48 8.017 -6.568 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.976 -4.752 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.752 -3.797 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.244 -5.062 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.620 -3.442 -3.750 1.00 0.00 H new ATOM 768 N CYS A 49 5.222 -5.359 -5.268 1.00 0.00 N ATOM 769 CA CYS A 49 3.856 -5.009 -4.915 1.00 0.00 C ATOM 770 C CYS A 49 3.233 -6.193 -4.173 1.00 0.00 C ATOM 771 O CYS A 49 2.688 -6.029 -3.082 1.00 0.00 O ATOM 772 CB CYS A 49 3.039 -4.611 -6.146 1.00 0.00 C ATOM 773 SG CYS A 49 3.138 -2.840 -6.594 1.00 0.00 S ATOM 0 H CYS A 49 5.399 -5.428 -6.270 1.00 0.00 H new ATOM 0 HA CYS A 49 3.858 -4.135 -4.264 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.375 -5.205 -6.995 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.995 -4.869 -5.970 1.00 0.00 H new ATOM 778 N ASP A 50 3.334 -7.358 -4.795 1.00 0.00 N ATOM 779 CA ASP A 50 2.786 -8.570 -4.207 1.00 0.00 C ATOM 780 C ASP A 50 3.500 -8.858 -2.884 1.00 0.00 C ATOM 781 O ASP A 50 3.034 -9.670 -2.088 1.00 0.00 O ATOM 782 CB ASP A 50 2.995 -9.773 -5.129 1.00 0.00 C ATOM 783 CG ASP A 50 2.795 -11.137 -4.467 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.637 -11.422 -4.093 1.00 0.00 O ATOM 785 OD2 ASP A 50 3.805 -11.865 -4.350 1.00 0.00 O ATOM 0 H ASP A 50 3.787 -7.489 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 50 1.718 -8.416 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.308 -9.690 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.005 -9.728 -5.537 1.00 0.00 H new ATOM 791 N HIS A 51 4.619 -8.176 -2.693 1.00 0.00 N ATOM 792 CA HIS A 51 5.403 -8.348 -1.480 1.00 0.00 C ATOM 793 C HIS A 51 5.191 -7.146 -0.558 1.00 0.00 C ATOM 794 O HIS A 51 5.783 -7.073 0.517 1.00 0.00 O ATOM 795 CB HIS A 51 6.876 -8.588 -1.815 1.00 0.00 C ATOM 796 CG HIS A 51 7.600 -9.454 -0.813 1.00 0.00 C ATOM 797 ND1 HIS A 51 8.773 -10.126 -1.111 1.00 0.00 N ATOM 798 CD2 HIS A 51 7.307 -9.749 0.487 1.00 0.00 C ATOM 799 CE1 HIS A 51 9.159 -10.794 -0.034 1.00 0.00 C ATOM 800 NE2 HIS A 51 8.248 -10.559 0.956 1.00 0.00 N ATOM 0 H HIS A 51 5.002 -7.503 -3.357 1.00 0.00 H new ATOM 0 HA HIS A 51 5.064 -9.235 -0.945 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.943 -9.054 -2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.384 -7.626 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.454 -9.385 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.039 -11.415 0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.285 -10.943 1.900 1.00 0.00 H new ATOM 809 N TYR A 52 4.346 -6.233 -1.014 1.00 0.00 N ATOM 810 CA TYR A 52 4.049 -5.037 -0.242 1.00 0.00 C ATOM 811 C TYR A 52 2.679 -5.144 0.429 1.00 0.00 C ATOM 812 O TYR A 52 2.518 -4.752 1.585 1.00 0.00 O ATOM 813 CB TYR A 52 4.024 -3.883 -1.247 1.00 0.00 C ATOM 814 CG TYR A 52 3.893 -2.501 -0.604 1.00 0.00 C ATOM 815 CD1 TYR A 52 5.003 -1.881 -0.069 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.664 -1.875 -0.558 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.880 -0.580 0.536 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.540 -0.575 0.048 1.00 0.00 C ATOM 819 CZ TYR A 52 3.655 0.008 0.565 1.00 0.00 C ATOM 820 OH TYR A 52 3.538 1.237 1.136 1.00 0.00 O ATOM 0 H TYR A 52 3.858 -6.297 -1.907 1.00 0.00 H new ATOM 0 HA TYR A 52 4.791 -4.892 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.938 -3.911 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.192 -4.032 -1.936 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.965 -2.371 -0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.795 -2.360 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.741 -0.083 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.584 -0.074 0.091 1.00 0.00 H new ATOM 0 HH TYR A 52 4.285 1.803 0.850 1.00 0.00 H new ATOM 830 N VAL A 53 1.727 -5.677 -0.322 1.00 0.00 N ATOM 831 CA VAL A 53 0.376 -5.840 0.187 1.00 0.00 C ATOM 832 C VAL A 53 0.416 -6.669 1.471 1.00 0.00 C ATOM 833 O VAL A 53 -0.537 -6.662 2.249 1.00 0.00 O ATOM 834 CB VAL A 53 -0.519 -6.453 -0.892 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.248 -5.814 -2.256 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.344 -7.971 -0.953 1.00 0.00 C ATOM 0 H VAL A 53 1.864 -6.002 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.057 -4.872 0.438 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.555 -6.247 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.897 -6.267 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.448 -4.744 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.794 -5.975 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.992 -8.381 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.694 -8.209 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.610 -8.407 0.010 1.00 0.00 H new ATOM 846 N ASN A 54 1.529 -7.364 1.655 1.00 0.00 N ATOM 847 CA ASN A 54 1.705 -8.197 2.833 1.00 0.00 C ATOM 848 C ASN A 54 3.123 -8.009 3.377 1.00 0.00 C ATOM 849 O ASN A 54 3.947 -8.919 3.300 1.00 0.00 O ATOM 850 CB ASN A 54 1.523 -9.677 2.492 1.00 0.00 C ATOM 851 CG ASN A 54 0.153 -10.181 2.954 1.00 0.00 C ATOM 852 OD1 ASN A 54 -0.167 -10.197 4.131 1.00 0.00 O ATOM 853 ND2 ASN A 54 -0.635 -10.589 1.963 1.00 0.00 N ATOM 0 H ASN A 54 2.318 -7.367 1.008 1.00 0.00 H new ATOM 0 HA ASN A 54 0.958 -7.902 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.624 -9.821 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.310 -10.263 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.570 -10.942 2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.304 -10.549 0.999 1.00 0.00 H new ATOM 860 N SER A 55 3.363 -6.822 3.915 1.00 0.00 N ATOM 861 CA SER A 55 4.667 -6.504 4.472 1.00 0.00 C ATOM 862 C SER A 55 4.669 -5.072 5.012 1.00 0.00 C ATOM 863 O SER A 55 5.311 -4.786 6.022 1.00 0.00 O ATOM 864 CB SER A 55 5.770 -6.679 3.426 1.00 0.00 C ATOM 865 OG SER A 55 7.064 -6.423 3.967 1.00 0.00 O ATOM 0 H SER A 55 2.677 -6.070 3.977 1.00 0.00 H new ATOM 0 HA SER A 55 4.868 -7.195 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.737 -7.694 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.587 -6.005 2.589 1.00 0.00 H new ATOM 0 HG SER A 55 7.741 -6.547 3.269 1.00 0.00 H new ATOM 871 N LYS A 56 3.945 -4.209 4.314 1.00 0.00 N ATOM 872 CA LYS A 56 3.855 -2.814 4.710 1.00 0.00 C ATOM 873 C LYS A 56 2.389 -2.380 4.706 1.00 0.00 C ATOM 874 O LYS A 56 2.089 -1.193 4.823 1.00 0.00 O ATOM 875 CB LYS A 56 4.757 -1.947 3.828 1.00 0.00 C ATOM 876 CG LYS A 56 6.176 -2.517 3.767 1.00 0.00 C ATOM 877 CD LYS A 56 7.165 -1.469 3.251 1.00 0.00 C ATOM 878 CE LYS A 56 8.335 -2.132 2.522 1.00 0.00 C ATOM 879 NZ LYS A 56 9.186 -1.111 1.872 1.00 0.00 N ATOM 0 H LYS A 56 3.415 -4.449 3.476 1.00 0.00 H new ATOM 0 HA LYS A 56 4.223 -2.683 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.341 -1.889 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.786 -0.930 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.480 -2.852 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.193 -3.391 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.654 -0.782 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.540 -0.876 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.929 -2.713 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.957 -2.829 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.894 -1.580 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.594 -0.487 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.669 -0.547 2.600 1.00 0.00 H new ATOM 893 N VAL A 57 1.514 -3.365 4.567 1.00 0.00 N ATOM 894 CA VAL A 57 0.085 -3.100 4.545 1.00 0.00 C ATOM 895 C VAL A 57 -0.493 -3.331 5.942 1.00 0.00 C ATOM 896 O VAL A 57 -1.290 -2.528 6.429 1.00 0.00 O ATOM 897 CB VAL A 57 -0.590 -3.955 3.470 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.024 -4.304 3.868 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.552 -3.255 2.110 1.00 0.00 C ATOM 0 H VAL A 57 1.767 -4.348 4.468 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.106 -2.060 4.281 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.031 -4.887 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.481 -4.912 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.016 -4.862 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.599 -3.387 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.038 -3.883 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.075 -2.301 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.484 -3.081 1.819 1.00 0.00 H new ATOM 909 N ASP A 58 -0.072 -4.431 6.548 1.00 0.00 N ATOM 910 CA ASP A 58 -0.538 -4.777 7.880 1.00 0.00 C ATOM 911 C ASP A 58 -0.321 -3.587 8.817 1.00 0.00 C ATOM 912 O ASP A 58 -1.204 -3.240 9.600 1.00 0.00 O ATOM 913 CB ASP A 58 0.237 -5.970 8.442 1.00 0.00 C ATOM 914 CG ASP A 58 -0.578 -7.254 8.604 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.737 -7.958 7.585 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.027 -7.502 9.745 1.00 0.00 O ATOM 0 H ASP A 58 0.587 -5.095 6.141 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.595 -5.034 7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.083 -6.175 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.646 -5.693 9.413 1.00 0.00 H new ATOM 922 N PRO A 59 0.891 -2.981 8.705 1.00 0.00 N ATOM 923 CA PRO A 59 1.236 -1.837 9.533 1.00 0.00 C ATOM 924 C PRO A 59 0.520 -0.575 9.049 1.00 0.00 C ATOM 925 O PRO A 59 -0.157 0.096 9.828 1.00 0.00 O ATOM 926 CB PRO A 59 2.749 -1.731 9.447 1.00 0.00 C ATOM 927 CG PRO A 59 3.153 -2.523 8.214 1.00 0.00 C ATOM 928 CD PRO A 59 1.962 -3.366 7.789 1.00 0.00 C ATOM 0 HA PRO A 59 0.917 -1.956 10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.063 -0.691 9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.220 -2.135 10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.451 -1.851 7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.011 -3.158 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.687 -3.169 6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.183 -4.431 7.863 1.00 0.00 H new ATOM 936 N ILE A 60 0.693 -0.288 7.767 1.00 0.00 N ATOM 937 CA ILE A 60 0.072 0.882 7.171 1.00 0.00 C ATOM 938 C ILE A 60 -1.385 0.971 7.631 1.00 0.00 C ATOM 939 O ILE A 60 -1.807 1.993 8.172 1.00 0.00 O ATOM 940 CB ILE A 60 0.236 0.859 5.650 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.631 1.337 5.241 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.870 1.667 4.967 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.821 1.242 3.727 1.00 0.00 C ATOM 0 H ILE A 60 1.255 -0.846 7.124 1.00 0.00 H new ATOM 0 HA ILE A 60 0.570 1.791 7.509 1.00 0.00 H new ATOM 0 HB ILE A 60 0.137 -0.172 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.776 2.368 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.388 0.735 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.730 1.634 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.841 1.241 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.828 2.702 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.821 1.588 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.700 0.206 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.078 1.864 3.227 1.00 0.00 H new ATOM 955 N ILE A 61 -2.112 -0.111 7.401 1.00 0.00 N ATOM 956 CA ILE A 61 -3.512 -0.168 7.785 1.00 0.00 C ATOM 957 C ILE A 61 -3.631 0.048 9.295 1.00 0.00 C ATOM 958 O ILE A 61 -4.667 0.500 9.781 1.00 0.00 O ATOM 959 CB ILE A 61 -4.149 -1.471 7.299 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.989 -1.628 5.785 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.613 -1.561 7.733 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.673 -2.904 5.291 1.00 0.00 C ATOM 0 H ILE A 61 -1.758 -0.956 6.953 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.072 0.633 7.302 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.623 -2.303 7.767 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.417 -0.763 5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.930 -1.656 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.042 -2.497 7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.673 -1.528 8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.169 -0.723 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.544 -2.991 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.227 -3.769 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.736 -2.862 5.527 1.00 0.00 H new ATOM 974 N HIS A 62 -2.556 -0.285 9.994 1.00 0.00 N ATOM 975 CA HIS A 62 -2.527 -0.133 11.439 1.00 0.00 C ATOM 976 C HIS A 62 -2.559 1.354 11.800 1.00 0.00 C ATOM 977 O HIS A 62 -2.922 1.718 12.916 1.00 0.00 O ATOM 978 CB HIS A 62 -1.324 -0.862 12.038 1.00 0.00 C ATOM 979 CG HIS A 62 -0.200 0.054 12.464 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.634 -0.229 13.532 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.217 1.249 11.956 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.510 0.758 13.652 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.250 1.673 12.674 1.00 0.00 N ATOM 0 H HIS A 62 -1.699 -0.659 9.587 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.413 -0.596 11.874 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.655 -1.440 12.901 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.942 -1.573 11.306 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.583 -1.057 14.126 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.219 1.763 11.112 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.292 0.826 14.394 1.00 0.00 H new ATOM 992 N GLU A 63 -2.175 2.173 10.832 1.00 0.00 N ATOM 993 CA GLU A 63 -2.155 3.612 11.033 1.00 0.00 C ATOM 994 C GLU A 63 -3.522 4.213 10.703 1.00 0.00 C ATOM 995 O GLU A 63 -4.024 5.064 11.436 1.00 0.00 O ATOM 996 CB GLU A 63 -1.052 4.267 10.198 1.00 0.00 C ATOM 997 CG GLU A 63 -0.174 5.173 11.064 1.00 0.00 C ATOM 998 CD GLU A 63 -0.371 4.869 12.550 1.00 0.00 C ATOM 999 OE1 GLU A 63 0.233 3.877 13.011 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -1.121 5.636 13.191 1.00 0.00 O ATOM 0 H GLU A 63 -1.875 1.867 9.906 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.937 3.810 12.083 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.438 3.497 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.498 4.850 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.873 5.034 10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.417 6.217 10.867 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.087 3.748 9.599 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.387 4.228 9.163 1.00 0.00 C ATOM 1010 C LEU A 64 -6.450 3.804 10.178 1.00 0.00 C ATOM 1011 O LEU A 64 -7.342 4.584 10.511 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.679 3.762 7.735 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.675 4.198 6.667 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.744 3.284 5.442 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.874 5.669 6.297 1.00 0.00 C ATOM 0 H LEU A 64 -3.668 3.043 8.993 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.398 5.317 9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.731 2.673 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.665 4.129 7.449 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.672 4.103 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.020 3.617 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.515 2.260 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.746 3.323 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.148 5.954 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.882 5.813 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.734 6.289 7.182 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.319 2.570 10.643 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.258 2.033 11.614 1.00 0.00 C ATOM 1029 C GLU A 65 -7.101 2.750 12.957 1.00 0.00 C ATOM 1030 O GLU A 65 -8.074 2.927 13.687 1.00 0.00 O ATOM 1031 CB GLU A 65 -7.075 0.522 11.774 1.00 0.00 C ATOM 1032 CG GLU A 65 -5.970 0.207 12.784 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.492 0.313 14.219 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -7.640 -0.132 14.439 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -5.731 0.834 15.063 1.00 0.00 O ATOM 0 H GLU A 65 -5.577 1.927 10.366 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.270 2.207 11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.012 0.071 12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.828 0.078 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.586 -0.797 12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.137 0.896 12.644 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.868 3.142 13.241 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.571 3.836 14.482 1.00 0.00 C ATOM 1045 C GLY A 66 -6.200 5.231 14.495 1.00 0.00 C ATOM 1046 O GLY A 66 -6.854 5.612 15.464 1.00 0.00 O ATOM 0 H GLY A 66 -5.063 2.992 12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.946 3.256 15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.491 3.919 14.607 1.00 0.00 H new ATOM 1050 N GLY A 67 -5.978 5.955 13.407 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.516 7.299 13.281 1.00 0.00 C ATOM 1052 C GLY A 67 -5.772 8.087 12.201 1.00 0.00 C ATOM 1053 O GLY A 67 -6.316 9.033 11.632 1.00 0.00 O ATOM 0 H GLY A 67 -5.433 5.636 12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.577 7.249 13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.435 7.818 14.236 1.00 0.00 H new ATOM 1057 N THR A 68 -4.540 7.668 11.950 1.00 0.00 N ATOM 1058 CA THR A 68 -3.716 8.324 10.948 1.00 0.00 C ATOM 1059 C THR A 68 -4.451 8.379 9.607 1.00 0.00 C ATOM 1060 O THR A 68 -5.257 7.503 9.301 1.00 0.00 O ATOM 1061 CB THR A 68 -2.378 7.584 10.880 1.00 0.00 C ATOM 1062 OG1 THR A 68 -1.761 7.865 12.132 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.425 8.193 9.848 1.00 0.00 C ATOM 0 H THR A 68 -4.093 6.883 12.423 1.00 0.00 H new ATOM 0 HA THR A 68 -3.516 9.362 11.215 1.00 0.00 H new ATOM 0 HB THR A 68 -2.554 6.536 10.637 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.793 7.066 12.699 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.491 7.631 9.839 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.883 8.150 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.222 9.232 10.109 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.144 9.417 8.844 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.765 9.597 7.542 1.00 0.00 C ATOM 1073 C ALA A 69 -3.968 8.823 6.490 1.00 0.00 C ATOM 1074 O ALA A 69 -2.851 8.381 6.753 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.855 11.091 7.223 1.00 0.00 C ATOM 0 H ALA A 69 -3.474 10.142 9.101 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.781 9.201 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.320 11.227 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.455 11.590 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.854 11.521 7.211 1.00 0.00 H new ATOM 1081 N PRO A 70 -4.590 8.679 5.289 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.952 7.965 4.197 1.00 0.00 C ATOM 1083 C PRO A 70 -2.847 8.811 3.562 1.00 0.00 C ATOM 1084 O PRO A 70 -2.177 8.367 2.630 1.00 0.00 O ATOM 1085 CB PRO A 70 -5.078 7.636 3.230 1.00 0.00 C ATOM 1086 CG PRO A 70 -6.219 8.576 3.586 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.913 9.189 4.942 1.00 0.00 C ATOM 0 HA PRO A 70 -3.449 7.055 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.761 7.780 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.385 6.595 3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.322 9.354 2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.164 8.034 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.918 10.278 4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.656 8.899 5.685 1.00 0.00 H new ATOM 1095 N LYS A 71 -2.689 10.017 4.091 1.00 0.00 N ATOM 1096 CA LYS A 71 -1.677 10.928 3.587 1.00 0.00 C ATOM 1097 C LYS A 71 -0.667 11.225 4.697 1.00 0.00 C ATOM 1098 O LYS A 71 0.231 12.047 4.520 1.00 0.00 O ATOM 1099 CB LYS A 71 -2.329 12.180 2.998 1.00 0.00 C ATOM 1100 CG LYS A 71 -2.557 12.024 1.493 1.00 0.00 C ATOM 1101 CD LYS A 71 -3.988 12.409 1.112 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.983 11.341 1.567 1.00 0.00 C ATOM 1103 NZ LYS A 71 -6.214 11.396 0.746 1.00 0.00 N ATOM 0 H LYS A 71 -3.246 10.383 4.863 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.125 10.469 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.280 12.367 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.695 13.047 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.851 12.650 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.363 10.993 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.244 13.366 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.058 12.540 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.528 10.354 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.232 11.492 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.879 10.664 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.655 12.333 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.973 11.230 -0.252 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.848 10.541 5.817 1.00 0.00 N ATOM 1118 CA ASP A 72 0.036 10.721 6.956 1.00 0.00 C ATOM 1119 C ASP A 72 0.804 9.423 7.211 1.00 0.00 C ATOM 1120 O ASP A 72 1.983 9.452 7.559 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.756 11.059 8.221 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.678 12.522 8.661 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.459 13.036 8.723 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.758 13.093 8.928 1.00 0.00 O ATOM 0 H ASP A 72 -1.594 9.861 5.960 1.00 0.00 H new ATOM 0 HA ASP A 72 0.717 11.541 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.802 10.800 8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.396 10.431 9.036 1.00 0.00 H new ATOM 1130 N VAL A 73 0.102 8.313 7.028 1.00 0.00 N ATOM 1131 CA VAL A 73 0.704 7.007 7.235 1.00 0.00 C ATOM 1132 C VAL A 73 2.126 7.009 6.671 1.00 0.00 C ATOM 1133 O VAL A 73 3.082 6.719 7.389 1.00 0.00 O ATOM 1134 CB VAL A 73 -0.181 5.920 6.618 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.319 4.525 6.997 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.644 6.108 7.027 1.00 0.00 C ATOM 0 H VAL A 73 -0.876 8.292 6.739 1.00 0.00 H new ATOM 0 HA VAL A 73 0.777 6.785 8.300 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.121 6.014 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.327 3.772 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.338 4.393 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.303 4.415 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.252 5.324 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.728 6.053 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.995 7.081 6.684 1.00 0.00 H new ATOM 1146 N CYS A 74 2.222 7.339 5.392 1.00 0.00 N ATOM 1147 CA CYS A 74 3.511 7.383 4.724 1.00 0.00 C ATOM 1148 C CYS A 74 4.212 8.684 5.119 1.00 0.00 C ATOM 1149 O CYS A 74 4.358 9.589 4.300 1.00 0.00 O ATOM 1150 CB CYS A 74 3.367 7.251 3.207 1.00 0.00 C ATOM 1151 SG CYS A 74 1.768 6.562 2.644 1.00 0.00 S ATOM 0 H CYS A 74 1.427 7.579 4.800 1.00 0.00 H new ATOM 0 HA CYS A 74 4.117 6.534 5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.501 8.234 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.171 6.617 2.834 1.00 0.00 H new ATOM 1156 N THR A 75 4.627 8.736 6.377 1.00 0.00 N ATOM 1157 CA THR A 75 5.310 9.911 6.891 1.00 0.00 C ATOM 1158 C THR A 75 5.755 9.680 8.337 1.00 0.00 C ATOM 1159 O THR A 75 6.943 9.509 8.604 1.00 0.00 O ATOM 1160 CB THR A 75 4.375 11.111 6.728 1.00 0.00 C ATOM 1161 OG1 THR A 75 4.968 11.874 5.682 1.00 0.00 O ATOM 1162 CG2 THR A 75 4.407 12.047 7.938 1.00 0.00 C ATOM 0 H THR A 75 4.503 7.984 7.055 1.00 0.00 H new ATOM 0 HA THR A 75 6.223 10.113 6.331 1.00 0.00 H new ATOM 0 HB THR A 75 3.356 10.758 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.963 11.352 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.726 12.881 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.099 11.500 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.419 12.427 8.077 1.00 0.00 H new ATOM 1170 N LYS A 76 4.777 9.682 9.231 1.00 0.00 N ATOM 1171 CA LYS A 76 5.053 9.473 10.641 1.00 0.00 C ATOM 1172 C LYS A 76 5.301 7.985 10.895 1.00 0.00 C ATOM 1173 O LYS A 76 6.192 7.622 11.660 1.00 0.00 O ATOM 1174 CB LYS A 76 3.933 10.066 11.499 1.00 0.00 C ATOM 1175 CG LYS A 76 2.597 9.382 11.203 1.00 0.00 C ATOM 1176 CD LYS A 76 1.523 9.821 12.202 1.00 0.00 C ATOM 1177 CE LYS A 76 1.574 11.333 12.433 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.254 11.835 12.872 1.00 0.00 N ATOM 0 H LYS A 76 3.793 9.825 9.006 1.00 0.00 H new ATOM 0 HA LYS A 76 5.961 10.000 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.179 9.951 12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.849 11.135 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.277 9.624 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.720 8.300 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.538 9.539 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.667 9.300 13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.327 11.567 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.874 11.837 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.306 12.862 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.456 11.629 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.018 11.367 13.760 1.00 0.00 H new ATOM 1192 N LEU A 77 4.495 7.164 10.237 1.00 0.00 N ATOM 1193 CA LEU A 77 4.615 5.723 10.382 1.00 0.00 C ATOM 1194 C LEU A 77 6.043 5.298 10.035 1.00 0.00 C ATOM 1195 O LEU A 77 6.464 4.192 10.371 1.00 0.00 O ATOM 1196 CB LEU A 77 3.543 5.011 9.555 1.00 0.00 C ATOM 1197 CG LEU A 77 3.252 3.559 9.941 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.677 3.281 11.385 1.00 0.00 C ATOM 1199 CD2 LEU A 77 1.782 3.212 9.701 1.00 0.00 C ATOM 0 H LEU A 77 3.757 7.469 9.603 1.00 0.00 H new ATOM 0 HA LEU A 77 4.436 5.427 11.416 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.616 5.579 9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.845 5.034 8.508 1.00 0.00 H new ATOM 0 HG LEU A 77 3.846 2.909 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.460 2.243 11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.746 3.464 11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.128 3.939 12.059 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.602 2.175 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.151 3.866 10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.544 3.347 8.646 1.00 0.00 H new ATOM 1211 N ASN A 78 6.749 6.198 9.367 1.00 0.00 N ATOM 1212 CA ASN A 78 8.122 5.930 8.971 1.00 0.00 C ATOM 1213 C ASN A 78 8.124 5.015 7.745 1.00 0.00 C ATOM 1214 O ASN A 78 8.720 3.938 7.771 1.00 0.00 O ATOM 1215 CB ASN A 78 8.889 5.224 10.090 1.00 0.00 C ATOM 1216 CG ASN A 78 10.394 5.473 9.964 1.00 0.00 C ATOM 1217 OD1 ASN A 78 10.841 6.515 9.514 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.146 4.460 10.386 1.00 0.00 N ATOM 0 H ASN A 78 6.396 7.114 9.090 1.00 0.00 H new ATOM 0 HA ASN A 78 8.603 6.883 8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.537 5.581 11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.689 4.153 10.053 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.163 4.528 10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.706 3.616 10.752 1.00 0.00 H new ATOM 1225 N GLU A 79 7.451 5.475 6.700 1.00 0.00 N ATOM 1226 CA GLU A 79 7.369 4.711 5.468 1.00 0.00 C ATOM 1227 C GLU A 79 8.265 5.335 4.396 1.00 0.00 C ATOM 1228 O GLU A 79 9.313 4.784 4.060 1.00 0.00 O ATOM 1229 CB GLU A 79 5.922 4.610 4.981 1.00 0.00 C ATOM 1230 CG GLU A 79 4.965 4.370 6.151 1.00 0.00 C ATOM 1231 CD GLU A 79 4.930 2.889 6.535 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.490 2.092 5.679 1.00 0.00 O ATOM 1233 OE2 GLU A 79 5.342 2.587 7.676 1.00 0.00 O ATOM 0 H GLU A 79 6.958 6.368 6.682 1.00 0.00 H new ATOM 0 HA GLU A 79 7.723 3.699 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.644 5.527 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.833 3.797 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.278 4.965 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.963 4.703 5.880 1.00 0.00 H new ATOM 1241 N CYS A 80 7.820 6.475 3.888 1.00 0.00 N ATOM 1242 CA CYS A 80 8.570 7.179 2.862 1.00 0.00 C ATOM 1243 C CYS A 80 9.983 7.436 3.388 1.00 0.00 C ATOM 1244 O CYS A 80 10.964 7.183 2.691 1.00 0.00 O ATOM 1245 CB CYS A 80 7.873 8.476 2.442 1.00 0.00 C ATOM 1246 SG CYS A 80 6.045 8.391 2.415 1.00 0.00 S ATOM 0 H CYS A 80 6.950 6.928 4.168 1.00 0.00 H new ATOM 0 HA CYS A 80 8.625 6.564 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.176 9.272 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.224 8.756 1.449 1.00 0.00 H new ATOM 1251 N PRO A 81 10.043 7.948 4.647 1.00 0.00 N ATOM 1252 CA PRO A 81 11.320 8.241 5.275 1.00 0.00 C ATOM 1253 C PRO A 81 12.016 6.957 5.727 1.00 0.00 C ATOM 1254 O PRO A 81 11.808 6.496 6.849 1.00 0.00 O ATOM 1255 CB PRO A 81 10.987 9.174 6.428 1.00 0.00 C ATOM 1256 CG PRO A 81 9.499 8.999 6.688 1.00 0.00 C ATOM 1257 CD PRO A 81 8.902 8.261 5.502 1.00 0.00 C ATOM 0 HA PRO A 81 12.027 8.711 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.571 8.924 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 81 11.220 10.208 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.336 8.438 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 81 9.017 9.968 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.385 7.355 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.172 8.878 4.978 1.00 0.00 H new TER 1265 PRO A 81