USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 2 LYS NZ :NH3+ -108:sc= 1.14 (180deg=-0.00746) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B -1 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : B -2 SER OG : rot 35:sc= 0.682 USER MOD Single : B -9 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot -18:sc= 0.574 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.37 USER MOD Single : B 20 GLN :FLIP amide:sc= -1.21 F(o=-3!,f=-1.2) USER MOD Single : B 22 GLN :FLIP amide:sc= -0.325 F(o=-3.8!,f=-0.33) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.204 USER MOD Single : B 30 SER OG : rot -160:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -27:sc= 0.527 USER MOD Single : B 42 ASN : amide:sc= -0.685 K(o=-0.68,f=-1.2) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -159:sc= -0.0541 (180deg=-0.36) USER MOD Single : B 56 TYR OH : rot -110:sc= -0.886 USER MOD Single : B 57 SER OG : rot 180:sc= -0.118 USER MOD Single : B 58 ASN : amide:sc= -0.608 K(o=-0.61,f=-2.4!) USER MOD Single : B 59 SER OG : rot 180:sc=-0.00136 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 SER OG : rot 180:sc= 0.0954 USER MOD Single : B 73 THR OG1 : rot -140:sc= -0.0962 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -164:sc= -0.0746 (180deg=-0.347) USER MOD Single : B -10 SER OG : rot 160:sc= -0.537 USER MOD Single : B -11 HIS : no HD1:sc= 0 X(o=0,f=-0.0009) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -16 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.002) USER MOD Single : B -17 SER OG : rot 180:sc= 0 USER MOD Single : B -18 SER OG : rot 180:sc= 0 USER MOD Single : B -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -20 MET N :NH3+ -168:sc= -0.0461 (180deg=-0.443) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 122:sc= 0.69 USER MOD Single : B 109 GLN : amide:sc= -1.95! X(o=-2!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -20 35.295 22.059 17.894 1.00 0.00 N ATOM 2 CA MET B -20 35.268 22.100 19.380 1.00 0.00 C ATOM 3 C MET B -20 36.416 21.285 19.967 1.00 0.00 C ATOM 4 O MET B -20 36.871 21.550 21.080 1.00 0.00 O ATOM 5 CB MET B -20 33.934 21.562 19.897 1.00 0.00 C ATOM 6 CG MET B -20 32.727 22.345 19.402 1.00 0.00 C ATOM 7 SD MET B -20 32.773 24.076 19.900 1.00 0.00 S ATOM 8 CE MET B -20 31.250 24.677 19.175 1.00 0.00 C ATOM 0 H1 MET B -20 34.641 22.774 17.515 1.00 0.00 H new ATOM 0 H2 MET B -20 36.259 22.259 17.559 1.00 0.00 H new ATOM 0 H3 MET B -20 35.004 21.116 17.567 1.00 0.00 H new ATOM 0 HA MET B -20 35.384 23.137 19.694 1.00 0.00 H new ATOM 0 HB2 MET B -20 33.830 20.520 19.593 1.00 0.00 H new ATOM 0 HB3 MET B -20 33.944 21.577 20.987 1.00 0.00 H new ATOM 0 HG2 MET B -20 32.680 22.285 18.315 1.00 0.00 H new ATOM 0 HG3 MET B -20 31.817 21.884 19.786 1.00 0.00 H new ATOM 0 HE1 MET B -20 31.135 25.738 19.397 1.00 0.00 H new ATOM 0 HE2 MET B -20 31.280 24.533 18.095 1.00 0.00 H new ATOM 0 HE3 MET B -20 30.407 24.126 19.591 1.00 0.00 H new ATOM 20 N GLY B -19 36.878 20.294 19.211 1.00 0.00 N ATOM 21 CA GLY B -19 37.968 19.456 19.672 1.00 0.00 C ATOM 22 C GLY B -19 37.503 18.074 20.086 1.00 0.00 C ATOM 23 O GLY B -19 37.867 17.076 19.464 1.00 0.00 O ATOM 0 H GLY B -19 36.516 20.057 18.287 1.00 0.00 H new ATOM 0 HA2 GLY B -19 38.711 19.364 18.880 1.00 0.00 H new ATOM 0 HA3 GLY B -19 38.461 19.938 20.516 1.00 0.00 H new ATOM 27 N SER B -18 36.695 18.015 21.141 1.00 0.00 N ATOM 28 CA SER B -18 36.179 16.745 21.638 1.00 0.00 C ATOM 29 C SER B -18 34.754 16.507 21.150 1.00 0.00 C ATOM 30 O SER B -18 33.922 17.415 21.168 1.00 0.00 O ATOM 31 CB SER B -18 36.217 16.719 23.168 1.00 0.00 C ATOM 32 OG SER B -18 37.541 16.877 23.649 1.00 0.00 O ATOM 0 H SER B -18 36.384 18.832 21.667 1.00 0.00 H new ATOM 0 HA SER B -18 36.814 15.948 21.251 1.00 0.00 H new ATOM 0 HB2 SER B -18 35.586 17.514 23.564 1.00 0.00 H new ATOM 0 HB3 SER B -18 35.806 15.776 23.529 1.00 0.00 H new ATOM 0 HG SER B -18 37.537 16.859 24.629 1.00 0.00 H new ATOM 38 N SER B -17 34.478 15.282 20.714 1.00 0.00 N ATOM 39 CA SER B -17 33.154 14.924 20.220 1.00 0.00 C ATOM 40 C SER B -17 32.330 14.246 21.309 1.00 0.00 C ATOM 41 O SER B -17 32.872 13.779 22.311 1.00 0.00 O ATOM 42 CB SER B -17 33.273 14.001 19.006 1.00 0.00 C ATOM 43 OG SER B -17 33.982 14.630 17.953 1.00 0.00 O ATOM 0 H SER B -17 35.155 14.520 20.693 1.00 0.00 H new ATOM 0 HA SER B -17 32.645 15.841 19.923 1.00 0.00 H new ATOM 0 HB2 SER B -17 33.783 13.082 19.293 1.00 0.00 H new ATOM 0 HB3 SER B -17 32.278 13.719 18.661 1.00 0.00 H new ATOM 0 HG SER B -17 34.045 14.018 17.190 1.00 0.00 H new ATOM 49 N HIS B -16 31.017 14.196 21.107 1.00 0.00 N ATOM 50 CA HIS B -16 30.116 13.574 22.070 1.00 0.00 C ATOM 51 C HIS B -16 29.134 12.637 21.374 1.00 0.00 C ATOM 52 O HIS B -16 28.335 11.964 22.025 1.00 0.00 O ATOM 53 CB HIS B -16 29.348 14.646 22.847 1.00 0.00 C ATOM 54 CG HIS B -16 30.234 15.578 23.615 1.00 0.00 C ATOM 55 ND1 HIS B -16 30.560 16.843 23.172 1.00 0.00 N ATOM 56 CD2 HIS B -16 30.863 15.425 24.805 1.00 0.00 C ATOM 57 CE1 HIS B -16 31.350 17.426 24.056 1.00 0.00 C ATOM 58 NE2 HIS B -16 31.549 16.588 25.055 1.00 0.00 N ATOM 0 H HIS B -16 30.553 14.580 20.284 1.00 0.00 H new ATOM 0 HA HIS B -16 30.718 12.989 22.765 1.00 0.00 H new ATOM 0 HB2 HIS B -16 28.743 15.225 22.150 1.00 0.00 H new ATOM 0 HB3 HIS B -16 28.660 14.159 23.538 1.00 0.00 H new ATOM 0 HD2 HIS B -16 30.831 14.551 25.439 1.00 0.00 H new ATOM 0 HE1 HIS B -16 31.763 18.421 23.974 1.00 0.00 H new ATOM 0 HE2 HIS B -16 32.120 16.774 25.880 1.00 0.00 H new ATOM 67 N HIS B -15 29.200 12.597 20.047 1.00 0.00 N ATOM 68 CA HIS B -15 28.318 11.742 19.261 1.00 0.00 C ATOM 69 C HIS B -15 29.122 10.835 18.336 1.00 0.00 C ATOM 70 O HIS B -15 28.613 9.829 17.842 1.00 0.00 O ATOM 71 CB HIS B -15 27.344 12.593 18.443 1.00 0.00 C ATOM 72 CG HIS B -15 28.020 13.525 17.487 1.00 0.00 C ATOM 73 ND1 HIS B -15 28.166 13.251 16.143 1.00 0.00 N ATOM 74 CD2 HIS B -15 28.590 14.738 17.684 1.00 0.00 C ATOM 75 CE1 HIS B -15 28.796 14.253 15.557 1.00 0.00 C ATOM 76 NE2 HIS B -15 29.064 15.168 16.469 1.00 0.00 N ATOM 0 H HIS B -15 29.856 13.148 19.493 1.00 0.00 H new ATOM 0 HA HIS B -15 27.751 11.116 19.950 1.00 0.00 H new ATOM 0 HB2 HIS B -15 26.678 11.934 17.886 1.00 0.00 H new ATOM 0 HB3 HIS B -15 26.721 13.173 19.124 1.00 0.00 H new ATOM 0 HD2 HIS B -15 28.659 15.268 18.622 1.00 0.00 H new ATOM 0 HE1 HIS B -15 29.049 14.313 14.509 1.00 0.00 H new ATOM 0 HE2 HIS B -15 29.545 16.051 16.299 1.00 0.00 H new ATOM 85 N HIS B -14 30.380 11.197 18.107 1.00 0.00 N ATOM 86 CA HIS B -14 31.257 10.417 17.242 1.00 0.00 C ATOM 87 C HIS B -14 31.891 9.263 18.011 1.00 0.00 C ATOM 88 O HIS B -14 32.694 9.478 18.921 1.00 0.00 O ATOM 89 CB HIS B -14 32.345 11.314 16.646 1.00 0.00 C ATOM 90 CG HIS B -14 33.253 10.604 15.690 1.00 0.00 C ATOM 91 ND1 HIS B -14 32.995 10.507 14.337 1.00 0.00 N ATOM 92 CD2 HIS B -14 34.424 9.956 15.894 1.00 0.00 C ATOM 93 CE1 HIS B -14 33.968 9.830 13.753 1.00 0.00 C ATOM 94 NE2 HIS B -14 34.845 9.484 14.676 1.00 0.00 N ATOM 0 H HIS B -14 30.815 12.027 18.509 1.00 0.00 H new ATOM 0 HA HIS B -14 30.657 10.001 16.433 1.00 0.00 H new ATOM 0 HB2 HIS B -14 31.872 12.150 16.131 1.00 0.00 H new ATOM 0 HB3 HIS B -14 32.941 11.734 17.456 1.00 0.00 H new ATOM 0 HD2 HIS B -14 34.932 9.833 16.839 1.00 0.00 H new ATOM 0 HE1 HIS B -14 34.034 9.599 12.700 1.00 0.00 H new ATOM 0 HE2 HIS B -14 35.699 8.951 14.511 1.00 0.00 H new ATOM 103 N HIS B -13 31.526 8.040 17.642 1.00 0.00 N ATOM 104 CA HIS B -13 32.059 6.850 18.296 1.00 0.00 C ATOM 105 C HIS B -13 33.507 6.606 17.885 1.00 0.00 C ATOM 106 O HIS B -13 33.933 7.008 16.801 1.00 0.00 O ATOM 107 CB HIS B -13 31.206 5.629 17.953 1.00 0.00 C ATOM 108 CG HIS B -13 29.777 5.756 18.381 1.00 0.00 C ATOM 109 ND1 HIS B -13 28.754 6.070 17.511 1.00 0.00 N ATOM 110 CD2 HIS B -13 29.200 5.607 19.597 1.00 0.00 C ATOM 111 CE1 HIS B -13 27.611 6.109 18.172 1.00 0.00 C ATOM 112 NE2 HIS B -13 27.855 5.831 19.439 1.00 0.00 N ATOM 0 H HIS B -13 30.862 7.846 16.892 1.00 0.00 H new ATOM 0 HA HIS B -13 32.029 7.014 19.373 1.00 0.00 H new ATOM 0 HB2 HIS B -13 31.241 5.463 16.876 1.00 0.00 H new ATOM 0 HB3 HIS B -13 31.641 4.748 18.425 1.00 0.00 H new ATOM 0 HD2 HIS B -13 29.704 5.358 20.519 1.00 0.00 H new ATOM 0 HE1 HIS B -13 26.643 6.330 17.748 1.00 0.00 H new ATOM 0 HE2 HIS B -13 27.157 5.789 20.181 1.00 0.00 H new ATOM 121 N HIS B -12 34.261 5.946 18.759 1.00 0.00 N ATOM 122 CA HIS B -12 35.664 5.648 18.488 1.00 0.00 C ATOM 123 C HIS B -12 35.803 4.720 17.285 1.00 0.00 C ATOM 124 O HIS B -12 36.653 4.932 16.421 1.00 0.00 O ATOM 125 CB HIS B -12 36.317 5.013 19.717 1.00 0.00 C ATOM 126 CG HIS B -12 37.774 4.718 19.539 1.00 0.00 C ATOM 127 ND1 HIS B -12 38.254 3.457 19.244 1.00 0.00 N ATOM 128 CD2 HIS B -12 38.858 5.522 19.614 1.00 0.00 C ATOM 129 CE1 HIS B -12 39.572 3.504 19.147 1.00 0.00 C ATOM 130 NE2 HIS B -12 39.963 4.745 19.366 1.00 0.00 N ATOM 0 H HIS B -12 33.925 5.607 19.660 1.00 0.00 H new ATOM 0 HA HIS B -12 36.171 6.585 18.259 1.00 0.00 H new ATOM 0 HB2 HIS B -12 36.192 5.680 20.570 1.00 0.00 H new ATOM 0 HB3 HIS B -12 35.795 4.087 19.958 1.00 0.00 H new ATOM 0 HD2 HIS B -12 38.856 6.580 19.829 1.00 0.00 H new ATOM 0 HE1 HIS B -12 40.219 2.668 18.926 1.00 0.00 H new ATOM 0 HE2 HIS B -12 40.928 5.074 19.353 1.00 0.00 H new ATOM 139 N HIS B -11 34.960 3.691 17.237 1.00 0.00 N ATOM 140 CA HIS B -11 34.990 2.731 16.139 1.00 0.00 C ATOM 141 C HIS B -11 33.582 2.252 15.798 1.00 0.00 C ATOM 142 O HIS B -11 32.961 1.523 16.570 1.00 0.00 O ATOM 143 CB HIS B -11 35.875 1.535 16.502 1.00 0.00 C ATOM 144 CG HIS B -11 36.006 0.532 15.400 1.00 0.00 C ATOM 145 ND1 HIS B -11 35.327 -0.667 15.388 1.00 0.00 N ATOM 146 CD2 HIS B -11 36.748 0.552 14.266 1.00 0.00 C ATOM 147 CE1 HIS B -11 35.645 -1.343 14.298 1.00 0.00 C ATOM 148 NE2 HIS B -11 36.504 -0.623 13.599 1.00 0.00 N ATOM 0 H HIS B -11 34.250 3.502 17.944 1.00 0.00 H new ATOM 0 HA HIS B -11 35.407 3.230 15.264 1.00 0.00 H new ATOM 0 HB2 HIS B -11 36.867 1.896 16.773 1.00 0.00 H new ATOM 0 HB3 HIS B -11 35.463 1.043 17.383 1.00 0.00 H new ATOM 0 HD2 HIS B -11 37.408 1.345 13.947 1.00 0.00 H new ATOM 0 HE1 HIS B -11 35.267 -2.317 14.025 1.00 0.00 H new ATOM 0 HE2 HIS B -11 36.919 -0.896 12.708 1.00 0.00 H new ATOM 157 N SER B -10 33.088 2.671 14.637 1.00 0.00 N ATOM 158 CA SER B -10 31.752 2.287 14.193 1.00 0.00 C ATOM 159 C SER B -10 31.574 2.566 12.703 1.00 0.00 C ATOM 160 O SER B -10 30.723 1.963 12.047 1.00 0.00 O ATOM 161 CB SER B -10 30.688 3.040 14.994 1.00 0.00 C ATOM 162 OG SER B -10 30.826 4.440 14.833 1.00 0.00 O ATOM 0 H SER B -10 33.591 3.275 13.988 1.00 0.00 H new ATOM 0 HA SER B -10 31.634 1.217 14.362 1.00 0.00 H new ATOM 0 HB2 SER B -10 29.695 2.729 14.668 1.00 0.00 H new ATOM 0 HB3 SER B -10 30.772 2.782 16.050 1.00 0.00 H new ATOM 0 HG SER B -10 29.984 4.881 15.070 1.00 0.00 H new ATOM 168 N SER B -9 32.381 3.481 12.176 1.00 0.00 N ATOM 169 CA SER B -9 32.313 3.840 10.764 1.00 0.00 C ATOM 170 C SER B -9 33.238 2.956 9.931 1.00 0.00 C ATOM 171 O SER B -9 34.029 2.186 10.474 1.00 0.00 O ATOM 172 CB SER B -9 32.687 5.310 10.572 1.00 0.00 C ATOM 173 OG SER B -9 31.811 6.158 11.295 1.00 0.00 O ATOM 0 H SER B -9 33.090 3.988 12.706 1.00 0.00 H new ATOM 0 HA SER B -9 31.289 3.684 10.425 1.00 0.00 H new ATOM 0 HB2 SER B -9 33.712 5.474 10.903 1.00 0.00 H new ATOM 0 HB3 SER B -9 32.650 5.562 9.512 1.00 0.00 H new ATOM 0 HG SER B -9 32.072 7.092 11.157 1.00 0.00 H new ATOM 179 N GLY B -8 33.129 3.075 8.612 1.00 0.00 N ATOM 180 CA GLY B -8 33.960 2.283 7.723 1.00 0.00 C ATOM 181 C GLY B -8 33.185 1.735 6.542 1.00 0.00 C ATOM 182 O GLY B -8 33.228 0.533 6.267 1.00 0.00 O ATOM 0 H GLY B -8 32.480 3.706 8.142 1.00 0.00 H new ATOM 0 HA2 GLY B -8 34.785 2.896 7.360 1.00 0.00 H new ATOM 0 HA3 GLY B -8 34.399 1.456 8.281 1.00 0.00 H new ATOM 186 N LEU B -7 32.474 2.616 5.843 1.00 0.00 N ATOM 187 CA LEU B -7 31.683 2.221 4.681 1.00 0.00 C ATOM 188 C LEU B -7 30.647 1.165 5.060 1.00 0.00 C ATOM 189 O LEU B -7 30.475 0.842 6.234 1.00 0.00 O ATOM 190 CB LEU B -7 32.593 1.688 3.573 1.00 0.00 C ATOM 191 CG LEU B -7 33.650 2.674 3.068 1.00 0.00 C ATOM 192 CD1 LEU B -7 34.566 2.000 2.057 1.00 0.00 C ATOM 193 CD2 LEU B -7 32.989 3.901 2.457 1.00 0.00 C ATOM 0 H LEU B -7 32.430 3.611 6.062 1.00 0.00 H new ATOM 0 HA LEU B -7 31.158 3.103 4.315 1.00 0.00 H new ATOM 0 HB2 LEU B -7 33.098 0.794 3.938 1.00 0.00 H new ATOM 0 HB3 LEU B -7 31.972 1.382 2.731 1.00 0.00 H new ATOM 0 HG LEU B -7 34.253 2.998 3.917 1.00 0.00 H new ATOM 0 HD11 LEU B -7 35.311 2.715 1.708 1.00 0.00 H new ATOM 0 HD12 LEU B -7 35.067 1.154 2.527 1.00 0.00 H new ATOM 0 HD13 LEU B -7 33.977 1.648 1.210 1.00 0.00 H new ATOM 0 HD21 LEU B -7 33.756 4.590 2.104 1.00 0.00 H new ATOM 0 HD22 LEU B -7 32.361 3.597 1.619 1.00 0.00 H new ATOM 0 HD23 LEU B -7 32.375 4.396 3.209 1.00 0.00 H new ATOM 205 N VAL B -6 29.957 0.634 4.055 1.00 0.00 N ATOM 206 CA VAL B -6 28.941 -0.386 4.283 1.00 0.00 C ATOM 207 C VAL B -6 28.933 -1.419 3.153 1.00 0.00 C ATOM 208 O VAL B -6 28.893 -1.058 1.977 1.00 0.00 O ATOM 209 CB VAL B -6 27.535 0.240 4.411 1.00 0.00 C ATOM 210 CG1 VAL B -6 27.201 1.068 3.178 1.00 0.00 C ATOM 211 CG2 VAL B -6 26.486 -0.836 4.643 1.00 0.00 C ATOM 0 H VAL B -6 30.083 0.893 3.077 1.00 0.00 H new ATOM 0 HA VAL B -6 29.193 -0.883 5.220 1.00 0.00 H new ATOM 0 HB VAL B -6 27.534 0.904 5.275 1.00 0.00 H new ATOM 0 HG11 VAL B -6 26.206 1.500 3.288 1.00 0.00 H new ATOM 0 HG12 VAL B -6 27.934 1.867 3.067 1.00 0.00 H new ATOM 0 HG13 VAL B -6 27.223 0.430 2.294 1.00 0.00 H new ATOM 0 HG21 VAL B -6 25.503 -0.373 4.730 1.00 0.00 H new ATOM 0 HG22 VAL B -6 26.486 -1.531 3.804 1.00 0.00 H new ATOM 0 HG23 VAL B -6 26.716 -1.376 5.562 1.00 0.00 H new ATOM 221 N PRO B -5 28.976 -2.722 3.494 1.00 0.00 N ATOM 222 CA PRO B -5 28.972 -3.799 2.503 1.00 0.00 C ATOM 223 C PRO B -5 27.597 -3.991 1.868 1.00 0.00 C ATOM 224 O PRO B -5 26.581 -3.583 2.431 1.00 0.00 O ATOM 225 CB PRO B -5 29.363 -5.049 3.303 1.00 0.00 C ATOM 226 CG PRO B -5 29.742 -4.566 4.666 1.00 0.00 C ATOM 227 CD PRO B -5 29.040 -3.255 4.860 1.00 0.00 C ATOM 0 HA PRO B -5 29.650 -3.583 1.678 1.00 0.00 H new ATOM 0 HB2 PRO B -5 28.533 -5.753 3.356 1.00 0.00 H new ATOM 0 HB3 PRO B -5 30.194 -5.571 2.829 1.00 0.00 H new ATOM 0 HG2 PRO B -5 29.443 -5.284 5.430 1.00 0.00 H new ATOM 0 HG3 PRO B -5 30.822 -4.444 4.749 1.00 0.00 H new ATOM 0 HD2 PRO B -5 28.047 -3.386 5.291 1.00 0.00 H new ATOM 0 HD3 PRO B -5 29.593 -2.594 5.528 1.00 0.00 H new ATOM 235 N ARG B -4 27.574 -4.612 0.694 1.00 0.00 N ATOM 236 CA ARG B -4 26.325 -4.859 -0.017 1.00 0.00 C ATOM 237 C ARG B -4 25.849 -6.292 0.210 1.00 0.00 C ATOM 238 O ARG B -4 24.957 -6.538 1.022 1.00 0.00 O ATOM 239 CB ARG B -4 26.502 -4.595 -1.514 1.00 0.00 C ATOM 240 CG ARG B -4 25.232 -4.801 -2.324 1.00 0.00 C ATOM 241 CD ARG B -4 25.467 -4.535 -3.802 1.00 0.00 C ATOM 242 NE ARG B -4 24.253 -4.728 -4.591 1.00 0.00 N ATOM 243 CZ ARG B -4 24.197 -4.562 -5.910 1.00 0.00 C ATOM 244 NH1 ARG B -4 25.283 -4.203 -6.583 1.00 0.00 N ATOM 245 NH2 ARG B -4 23.056 -4.756 -6.556 1.00 0.00 N ATOM 0 H ARG B -4 28.407 -4.954 0.214 1.00 0.00 H new ATOM 0 HA ARG B -4 25.570 -4.177 0.374 1.00 0.00 H new ATOM 0 HB2 ARG B -4 26.851 -3.572 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG B -4 27.280 -5.253 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG B -4 24.874 -5.822 -2.189 1.00 0.00 H new ATOM 0 HG3 ARG B -4 24.451 -4.138 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG B -4 25.827 -3.515 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG B -4 26.249 -5.199 -4.170 1.00 0.00 H new ATOM 0 HE ARG B -4 23.401 -5.005 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG B -4 26.163 -4.054 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG B -4 25.238 -4.076 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG B -4 22.220 -5.033 -6.042 1.00 0.00 H new ATOM 0 HH22 ARG B -4 23.014 -4.628 -7.567 1.00 0.00 H new ATOM 259 N GLY B -3 26.456 -7.234 -0.510 1.00 0.00 N ATOM 260 CA GLY B -3 26.085 -8.630 -0.376 1.00 0.00 C ATOM 261 C GLY B -3 24.596 -8.860 -0.550 1.00 0.00 C ATOM 262 O GLY B -3 23.929 -8.125 -1.279 1.00 0.00 O ATOM 0 H GLY B -3 27.199 -7.053 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY B -3 26.628 -9.218 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY B -3 26.392 -8.990 0.606 1.00 0.00 H new ATOM 266 N SER B -2 24.078 -9.884 0.119 1.00 0.00 N ATOM 267 CA SER B -2 22.658 -10.212 0.038 1.00 0.00 C ATOM 268 C SER B -2 22.248 -11.128 1.187 1.00 0.00 C ATOM 269 O SER B -2 22.615 -12.302 1.218 1.00 0.00 O ATOM 270 CB SER B -2 22.342 -10.877 -1.301 1.00 0.00 C ATOM 271 OG SER B -2 23.092 -12.068 -1.470 1.00 0.00 O ATOM 0 H SER B -2 24.619 -10.502 0.724 1.00 0.00 H new ATOM 0 HA SER B -2 22.090 -9.285 0.115 1.00 0.00 H new ATOM 0 HB2 SER B -2 21.277 -11.104 -1.355 1.00 0.00 H new ATOM 0 HB3 SER B -2 22.563 -10.186 -2.115 1.00 0.00 H new ATOM 0 HG SER B -2 23.199 -12.513 -0.603 1.00 0.00 H new ATOM 277 N HIS B -1 21.485 -10.581 2.130 1.00 0.00 N ATOM 278 CA HIS B -1 21.026 -11.348 3.281 1.00 0.00 C ATOM 279 C HIS B -1 19.510 -11.261 3.423 1.00 0.00 C ATOM 280 O HIS B -1 18.837 -10.618 2.616 1.00 0.00 O ATOM 281 CB HIS B -1 21.699 -10.843 4.559 1.00 0.00 C ATOM 282 CG HIS B -1 23.191 -10.959 4.535 1.00 0.00 C ATOM 283 ND1 HIS B -1 23.876 -11.985 5.150 1.00 0.00 N ATOM 284 CD2 HIS B -1 24.132 -10.165 3.969 1.00 0.00 C ATOM 285 CE1 HIS B -1 25.174 -11.820 4.961 1.00 0.00 C ATOM 286 NE2 HIS B -1 25.355 -10.723 4.249 1.00 0.00 N ATOM 0 H HIS B -1 21.173 -9.610 2.118 1.00 0.00 H new ATOM 0 HA HIS B -1 21.299 -12.391 3.123 1.00 0.00 H new ATOM 0 HB2 HIS B -1 21.426 -9.799 4.716 1.00 0.00 H new ATOM 0 HB3 HIS B -1 21.313 -11.404 5.410 1.00 0.00 H new ATOM 0 HD2 HIS B -1 23.953 -9.262 3.404 1.00 0.00 H new ATOM 0 HE1 HIS B -1 25.954 -12.472 5.327 1.00 0.00 H new ATOM 0 HE2 HIS B -1 26.258 -10.350 3.954 1.00 0.00 H new ATOM 295 N MET B 0 18.979 -11.913 4.452 1.00 0.00 N ATOM 296 CA MET B 0 17.541 -11.911 4.702 1.00 0.00 C ATOM 297 C MET B 0 17.120 -10.652 5.452 1.00 0.00 C ATOM 298 O MET B 0 15.934 -10.333 5.533 1.00 0.00 O ATOM 299 CB MET B 0 17.140 -13.153 5.500 1.00 0.00 C ATOM 300 CG MET B 0 17.488 -14.460 4.806 1.00 0.00 C ATOM 301 SD MET B 0 16.676 -14.636 3.207 1.00 0.00 S ATOM 302 CE MET B 0 17.289 -16.237 2.689 1.00 0.00 C ATOM 0 H MET B 0 19.523 -12.450 5.127 1.00 0.00 H new ATOM 0 HA MET B 0 17.030 -11.925 3.739 1.00 0.00 H new ATOM 0 HB2 MET B 0 17.633 -13.125 6.472 1.00 0.00 H new ATOM 0 HB3 MET B 0 16.066 -13.124 5.686 1.00 0.00 H new ATOM 0 HG2 MET B 0 18.568 -14.517 4.669 1.00 0.00 H new ATOM 0 HG3 MET B 0 17.203 -15.294 5.447 1.00 0.00 H new ATOM 0 HE1 MET B 0 16.874 -16.487 1.713 1.00 0.00 H new ATOM 0 HE2 MET B 0 18.377 -16.207 2.624 1.00 0.00 H new ATOM 0 HE3 MET B 0 16.990 -16.993 3.415 1.00 0.00 H new ATOM 312 N GLN B 1 18.100 -9.939 5.999 1.00 0.00 N ATOM 313 CA GLN B 1 17.833 -8.714 6.743 1.00 0.00 C ATOM 314 C GLN B 1 18.182 -7.484 5.912 1.00 0.00 C ATOM 315 O GLN B 1 19.059 -7.534 5.050 1.00 0.00 O ATOM 316 CB GLN B 1 18.627 -8.701 8.050 1.00 0.00 C ATOM 317 CG GLN B 1 18.281 -9.845 8.982 1.00 0.00 C ATOM 318 CD GLN B 1 19.079 -9.807 10.271 1.00 0.00 C ATOM 319 OE1 GLN B 1 20.162 -10.385 10.362 1.00 0.00 O ATOM 320 NE2 GLN B 1 18.545 -9.125 11.277 1.00 0.00 N ATOM 0 H GLN B 1 19.087 -10.189 5.940 1.00 0.00 H new ATOM 0 HA GLN B 1 16.768 -8.685 6.973 1.00 0.00 H new ATOM 0 HB2 GLN B 1 19.691 -8.741 7.819 1.00 0.00 H new ATOM 0 HB3 GLN B 1 18.448 -7.757 8.565 1.00 0.00 H new ATOM 0 HG2 GLN B 1 17.217 -9.809 9.216 1.00 0.00 H new ATOM 0 HG3 GLN B 1 18.464 -10.792 8.473 1.00 0.00 H new ATOM 0 HE21 GLN B 1 17.645 -8.661 11.157 1.00 0.00 H new ATOM 0 HE22 GLN B 1 19.035 -9.065 12.169 1.00 0.00 H new ATOM 329 N LYS B 2 17.488 -6.382 6.177 1.00 0.00 N ATOM 330 CA LYS B 2 17.719 -5.137 5.462 1.00 0.00 C ATOM 331 C LYS B 2 17.529 -3.963 6.396 1.00 0.00 C ATOM 332 O LYS B 2 16.884 -4.084 7.436 1.00 0.00 O ATOM 333 CB LYS B 2 16.742 -5.010 4.289 1.00 0.00 C ATOM 334 CG LYS B 2 17.425 -4.865 2.942 1.00 0.00 C ATOM 335 CD LYS B 2 17.049 -3.557 2.265 1.00 0.00 C ATOM 336 CE LYS B 2 18.177 -3.045 1.389 1.00 0.00 C ATOM 337 NZ LYS B 2 18.439 -3.948 0.233 1.00 0.00 N ATOM 0 H LYS B 2 16.757 -6.329 6.887 1.00 0.00 H new ATOM 0 HA LYS B 2 18.740 -5.140 5.081 1.00 0.00 H new ATOM 0 HB2 LYS B 2 16.097 -5.889 4.267 1.00 0.00 H new ATOM 0 HB3 LYS B 2 16.098 -4.146 4.455 1.00 0.00 H new ATOM 0 HG2 LYS B 2 18.506 -4.910 3.074 1.00 0.00 H new ATOM 0 HG3 LYS B 2 17.147 -5.701 2.300 1.00 0.00 H new ATOM 0 HD2 LYS B 2 16.154 -3.702 1.661 1.00 0.00 H new ATOM 0 HD3 LYS B 2 16.806 -2.811 3.021 1.00 0.00 H new ATOM 0 HE2 LYS B 2 17.928 -2.049 1.022 1.00 0.00 H new ATOM 0 HE3 LYS B 2 19.084 -2.947 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 19.336 -4.452 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 17.665 -4.637 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 18.499 -3.386 -0.640 1.00 0.00 H new ATOM 351 N PRO B 3 18.122 -2.818 6.059 1.00 0.00 N ATOM 352 CA PRO B 3 17.963 -1.602 6.837 1.00 0.00 C ATOM 353 C PRO B 3 16.488 -1.269 6.962 1.00 0.00 C ATOM 354 O PRO B 3 16.087 -0.374 7.706 1.00 0.00 O ATOM 355 CB PRO B 3 18.699 -0.554 5.998 1.00 0.00 C ATOM 356 CG PRO B 3 19.693 -1.337 5.218 1.00 0.00 C ATOM 357 CD PRO B 3 19.009 -2.626 4.909 1.00 0.00 C ATOM 0 HA PRO B 3 18.351 -1.670 7.853 1.00 0.00 H new ATOM 0 HB2 PRO B 3 18.014 -0.017 5.343 1.00 0.00 H new ATOM 0 HB3 PRO B 3 19.186 0.190 6.629 1.00 0.00 H new ATOM 0 HG2 PRO B 3 19.980 -0.814 4.306 1.00 0.00 H new ATOM 0 HG3 PRO B 3 20.605 -1.501 5.792 1.00 0.00 H new ATOM 0 HD2 PRO B 3 18.451 -2.572 3.974 1.00 0.00 H new ATOM 0 HD3 PRO B 3 19.721 -3.445 4.808 1.00 0.00 H new ATOM 365 N VAL B 4 15.699 -2.036 6.213 1.00 0.00 N ATOM 366 CA VAL B 4 14.254 -1.910 6.176 1.00 0.00 C ATOM 367 C VAL B 4 13.816 -0.457 6.315 1.00 0.00 C ATOM 368 O VAL B 4 13.549 0.027 7.417 1.00 0.00 O ATOM 369 CB VAL B 4 13.591 -2.770 7.266 1.00 0.00 C ATOM 370 CG1 VAL B 4 12.083 -2.728 7.116 1.00 0.00 C ATOM 371 CG2 VAL B 4 14.089 -4.205 7.199 1.00 0.00 C ATOM 0 H VAL B 4 16.057 -2.773 5.606 1.00 0.00 H new ATOM 0 HA VAL B 4 13.926 -2.273 5.202 1.00 0.00 H new ATOM 0 HB VAL B 4 13.861 -2.362 8.240 1.00 0.00 H new ATOM 0 HG11 VAL B 4 11.623 -3.340 7.892 1.00 0.00 H new ATOM 0 HG12 VAL B 4 11.736 -1.699 7.212 1.00 0.00 H new ATOM 0 HG13 VAL B 4 11.804 -3.115 6.136 1.00 0.00 H new ATOM 0 HG21 VAL B 4 13.607 -4.794 7.979 1.00 0.00 H new ATOM 0 HG22 VAL B 4 13.849 -4.628 6.224 1.00 0.00 H new ATOM 0 HG23 VAL B 4 15.169 -4.223 7.346 1.00 0.00 H new ATOM 381 N VAL B 5 13.748 0.231 5.182 1.00 0.00 N ATOM 382 CA VAL B 5 13.356 1.631 5.147 1.00 0.00 C ATOM 383 C VAL B 5 11.980 1.834 5.776 1.00 0.00 C ATOM 384 O VAL B 5 11.191 0.895 5.885 1.00 0.00 O ATOM 385 CB VAL B 5 13.350 2.164 3.702 1.00 0.00 C ATOM 386 CG1 VAL B 5 14.617 1.736 2.970 1.00 0.00 C ATOM 387 CG2 VAL B 5 12.108 1.697 2.958 1.00 0.00 C ATOM 0 H VAL B 5 13.962 -0.165 4.267 1.00 0.00 H new ATOM 0 HA VAL B 5 14.090 2.190 5.727 1.00 0.00 H new ATOM 0 HB VAL B 5 13.328 3.253 3.738 1.00 0.00 H new ATOM 0 HG11 VAL B 5 14.596 2.121 1.951 1.00 0.00 H new ATOM 0 HG12 VAL B 5 15.489 2.133 3.490 1.00 0.00 H new ATOM 0 HG13 VAL B 5 14.673 0.648 2.946 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.126 2.086 1.940 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.089 0.608 2.930 1.00 0.00 H new ATOM 0 HG23 VAL B 5 11.218 2.063 3.470 1.00 0.00 H new ATOM 397 N THR B 6 11.698 3.068 6.186 1.00 0.00 N ATOM 398 CA THR B 6 10.426 3.395 6.805 1.00 0.00 C ATOM 399 C THR B 6 9.699 4.498 6.041 1.00 0.00 C ATOM 400 O THR B 6 10.160 4.949 4.992 1.00 0.00 O ATOM 401 CB THR B 6 10.628 3.849 8.262 1.00 0.00 C ATOM 402 OG1 THR B 6 11.944 3.500 8.705 1.00 0.00 O ATOM 403 CG2 THR B 6 9.599 3.202 9.167 1.00 0.00 C ATOM 0 H THR B 6 12.338 3.857 6.098 1.00 0.00 H new ATOM 0 HA THR B 6 9.819 2.490 6.783 1.00 0.00 H new ATOM 0 HB THR B 6 10.506 4.931 8.307 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.066 3.794 9.632 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.757 3.534 10.193 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.598 3.488 8.843 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.701 2.118 9.117 1.00 0.00 H new ATOM 411 N LEU B 7 8.559 4.928 6.578 1.00 0.00 N ATOM 412 CA LEU B 7 7.760 5.977 5.958 1.00 0.00 C ATOM 413 C LEU B 7 6.668 6.455 6.911 1.00 0.00 C ATOM 414 O LEU B 7 6.174 5.685 7.736 1.00 0.00 O ATOM 415 CB LEU B 7 7.133 5.472 4.657 1.00 0.00 C ATOM 416 CG LEU B 7 6.208 6.466 3.948 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.981 7.702 3.507 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.535 5.805 2.756 1.00 0.00 C ATOM 0 H LEU B 7 8.168 4.562 7.446 1.00 0.00 H new ATOM 0 HA LEU B 7 8.417 6.816 5.731 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.933 5.193 3.972 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.568 4.565 4.873 1.00 0.00 H new ATOM 0 HG LEU B 7 5.437 6.780 4.652 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.305 8.394 3.006 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.418 8.189 4.379 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.775 7.409 2.820 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.881 6.524 2.263 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.294 5.463 2.053 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.946 4.953 3.097 1.00 0.00 H new ATOM 430 N ASP B 8 6.296 7.726 6.794 1.00 0.00 N ATOM 431 CA ASP B 8 5.263 8.300 7.649 1.00 0.00 C ATOM 432 C ASP B 8 4.724 9.602 7.064 1.00 0.00 C ATOM 433 O ASP B 8 3.579 9.978 7.317 1.00 0.00 O ATOM 434 CB ASP B 8 5.814 8.547 9.054 1.00 0.00 C ATOM 435 CG ASP B 8 6.984 9.510 9.057 1.00 0.00 C ATOM 436 OD1 ASP B 8 8.137 9.046 8.944 1.00 0.00 O ATOM 437 OD2 ASP B 8 6.744 10.732 9.170 1.00 0.00 O ATOM 0 H ASP B 8 6.694 8.377 6.117 1.00 0.00 H new ATOM 0 HA ASP B 8 4.441 7.586 7.707 1.00 0.00 H new ATOM 0 HB2 ASP B 8 5.020 8.943 9.688 1.00 0.00 H new ATOM 0 HB3 ASP B 8 6.127 7.598 9.490 1.00 0.00 H new ATOM 442 N ASP B 9 5.554 10.288 6.287 1.00 0.00 N ATOM 443 CA ASP B 9 5.157 11.550 5.671 1.00 0.00 C ATOM 444 C ASP B 9 4.304 11.307 4.431 1.00 0.00 C ATOM 445 O ASP B 9 4.801 10.835 3.408 1.00 0.00 O ATOM 446 CB ASP B 9 6.391 12.374 5.303 1.00 0.00 C ATOM 447 CG ASP B 9 7.249 12.703 6.508 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.012 13.757 7.135 1.00 0.00 O ATOM 449 OD2 ASP B 9 8.156 11.907 6.827 1.00 0.00 O ATOM 0 H ASP B 9 6.505 9.993 6.068 1.00 0.00 H new ATOM 0 HA ASP B 9 4.561 12.106 6.395 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.988 11.824 4.575 1.00 0.00 H new ATOM 0 HB3 ASP B 9 6.076 13.300 4.822 1.00 0.00 H new ATOM 454 N ALA B 10 3.019 11.630 4.530 1.00 0.00 N ATOM 455 CA ALA B 10 2.098 11.449 3.414 1.00 0.00 C ATOM 456 C ALA B 10 2.355 12.480 2.322 1.00 0.00 C ATOM 457 O ALA B 10 2.916 13.544 2.583 1.00 0.00 O ATOM 458 CB ALA B 10 0.657 11.536 3.898 1.00 0.00 C ATOM 0 H ALA B 10 2.592 12.018 5.371 1.00 0.00 H new ATOM 0 HA ALA B 10 2.267 10.459 2.991 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -0.019 11.399 3.054 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.475 10.758 4.639 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.483 12.513 4.348 1.00 0.00 H new ATOM 464 N ASP B 11 1.939 12.153 1.099 1.00 0.00 N ATOM 465 CA ASP B 11 2.119 13.035 -0.048 1.00 0.00 C ATOM 466 C ASP B 11 3.597 13.273 -0.366 1.00 0.00 C ATOM 467 O ASP B 11 3.934 13.770 -1.442 1.00 0.00 O ATOM 468 CB ASP B 11 1.410 14.352 0.221 1.00 0.00 C ATOM 469 CG ASP B 11 1.799 15.446 -0.754 1.00 0.00 C ATOM 470 OD1 ASP B 11 2.761 16.187 -0.461 1.00 0.00 O ATOM 471 OD2 ASP B 11 1.143 15.562 -1.809 1.00 0.00 O ATOM 0 H ASP B 11 1.471 11.274 0.879 1.00 0.00 H new ATOM 0 HA ASP B 11 1.684 12.552 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP B 11 0.333 14.195 0.171 1.00 0.00 H new ATOM 0 HB3 ASP B 11 1.637 14.680 1.235 1.00 0.00 H new ATOM 476 N ASP B 12 4.477 12.911 0.563 1.00 0.00 N ATOM 477 CA ASP B 12 5.909 13.085 0.366 1.00 0.00 C ATOM 478 C ASP B 12 6.467 11.916 -0.432 1.00 0.00 C ATOM 479 O ASP B 12 7.679 11.783 -0.604 1.00 0.00 O ATOM 480 CB ASP B 12 6.622 13.189 1.718 1.00 0.00 C ATOM 481 CG ASP B 12 8.088 13.552 1.574 1.00 0.00 C ATOM 482 OD1 ASP B 12 8.389 14.753 1.409 1.00 0.00 O ATOM 483 OD2 ASP B 12 8.935 12.636 1.631 1.00 0.00 O ATOM 0 H ASP B 12 4.222 12.496 1.459 1.00 0.00 H new ATOM 0 HA ASP B 12 6.079 14.008 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.124 13.940 2.331 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.536 12.239 2.245 1.00 0.00 H new ATOM 488 N CYS B 13 5.566 11.073 -0.922 1.00 0.00 N ATOM 489 CA CYS B 13 5.951 9.904 -1.696 1.00 0.00 C ATOM 490 C CYS B 13 6.075 10.224 -3.179 1.00 0.00 C ATOM 491 O CYS B 13 5.698 11.303 -3.637 1.00 0.00 O ATOM 492 CB CYS B 13 4.942 8.775 -1.501 1.00 0.00 C ATOM 493 SG CYS B 13 5.209 7.787 0.005 1.00 0.00 S ATOM 0 H CYS B 13 4.560 11.180 -0.795 1.00 0.00 H new ATOM 0 HA CYS B 13 6.928 9.586 -1.332 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.939 9.201 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.981 8.114 -2.367 1.00 0.00 H new ATOM 498 N SER B 14 6.603 9.257 -3.911 1.00 0.00 N ATOM 499 CA SER B 14 6.802 9.373 -5.351 1.00 0.00 C ATOM 500 C SER B 14 7.055 7.988 -5.937 1.00 0.00 C ATOM 501 O SER B 14 7.318 7.048 -5.188 1.00 0.00 O ATOM 502 CB SER B 14 7.989 10.285 -5.651 1.00 0.00 C ATOM 503 OG SER B 14 7.831 11.556 -5.048 1.00 0.00 O ATOM 0 H SER B 14 6.908 8.364 -3.524 1.00 0.00 H new ATOM 0 HA SER B 14 5.908 9.805 -5.801 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.907 9.821 -5.289 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.095 10.403 -6.729 1.00 0.00 H new ATOM 0 HG SER B 14 6.889 11.692 -4.814 1.00 0.00 H new ATOM 509 N PRO B 15 6.963 7.827 -7.271 1.00 0.00 N ATOM 510 CA PRO B 15 7.208 6.533 -7.918 1.00 0.00 C ATOM 511 C PRO B 15 8.554 5.943 -7.512 1.00 0.00 C ATOM 512 O PRO B 15 9.544 6.072 -8.233 1.00 0.00 O ATOM 513 CB PRO B 15 7.191 6.870 -9.411 1.00 0.00 C ATOM 514 CG PRO B 15 6.355 8.100 -9.512 1.00 0.00 C ATOM 515 CD PRO B 15 6.607 8.875 -8.246 1.00 0.00 C ATOM 0 HA PRO B 15 6.469 5.783 -7.637 1.00 0.00 H new ATOM 0 HB2 PRO B 15 8.198 7.044 -9.789 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.767 6.054 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO B 15 6.627 8.686 -10.390 1.00 0.00 H new ATOM 0 HG3 PRO B 15 5.299 7.848 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO B 15 7.413 9.598 -8.371 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.724 9.432 -7.933 1.00 0.00 H new ATOM 523 N LEU B 16 8.582 5.305 -6.345 1.00 0.00 N ATOM 524 CA LEU B 16 9.797 4.704 -5.815 1.00 0.00 C ATOM 525 C LEU B 16 10.477 3.785 -6.813 1.00 0.00 C ATOM 526 O LEU B 16 9.881 3.350 -7.794 1.00 0.00 O ATOM 527 CB LEU B 16 9.489 3.928 -4.539 1.00 0.00 C ATOM 528 CG LEU B 16 9.767 4.699 -3.256 1.00 0.00 C ATOM 529 CD1 LEU B 16 9.137 4.003 -2.059 1.00 0.00 C ATOM 530 CD2 LEU B 16 11.261 4.880 -3.057 1.00 0.00 C ATOM 0 H LEU B 16 7.766 5.192 -5.744 1.00 0.00 H new ATOM 0 HA LEU B 16 10.484 5.522 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU B 16 8.440 3.632 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.079 3.011 -4.534 1.00 0.00 H new ATOM 0 HG LEU B 16 9.314 5.687 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU B 16 9.349 4.572 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU B 16 8.058 3.938 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU B 16 9.551 3.000 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.441 5.433 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.741 3.903 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.676 5.434 -3.899 1.00 0.00 H new ATOM 542 N LYS B 17 11.739 3.497 -6.529 1.00 0.00 N ATOM 543 CA LYS B 17 12.546 2.622 -7.371 1.00 0.00 C ATOM 544 C LYS B 17 13.300 1.613 -6.512 1.00 0.00 C ATOM 545 O LYS B 17 14.496 1.766 -6.261 1.00 0.00 O ATOM 546 CB LYS B 17 13.536 3.434 -8.210 1.00 0.00 C ATOM 547 CG LYS B 17 12.874 4.437 -9.139 1.00 0.00 C ATOM 548 CD LYS B 17 12.646 5.773 -8.450 1.00 0.00 C ATOM 549 CE LYS B 17 12.175 6.834 -9.433 1.00 0.00 C ATOM 550 NZ LYS B 17 11.934 8.141 -8.765 1.00 0.00 N ATOM 0 H LYS B 17 12.232 3.860 -5.713 1.00 0.00 H new ATOM 0 HA LYS B 17 11.877 2.088 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.214 3.964 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS B 17 14.143 2.749 -8.803 1.00 0.00 H new ATOM 0 HG2 LYS B 17 13.498 4.584 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.921 4.038 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS B 17 11.905 5.654 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.570 6.101 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS B 17 12.922 6.959 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS B 17 11.258 6.499 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 11.614 8.837 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 11.203 8.028 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 12.816 8.474 -8.325 1.00 0.00 H new ATOM 564 N LEU B 18 12.589 0.588 -6.060 1.00 0.00 N ATOM 565 CA LEU B 18 13.186 -0.443 -5.219 1.00 0.00 C ATOM 566 C LEU B 18 13.691 -1.614 -6.057 1.00 0.00 C ATOM 567 O LEU B 18 13.758 -1.533 -7.282 1.00 0.00 O ATOM 568 CB LEU B 18 12.172 -0.942 -4.187 1.00 0.00 C ATOM 569 CG LEU B 18 12.037 -0.083 -2.938 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.620 1.336 -3.293 1.00 0.00 C ATOM 571 CD2 LEU B 18 11.050 -0.707 -1.965 1.00 0.00 C ATOM 0 H LEU B 18 11.599 0.448 -6.261 1.00 0.00 H new ATOM 0 HA LEU B 18 14.036 0.000 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.196 -1.013 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.453 -1.951 -3.885 1.00 0.00 H new ATOM 0 HG LEU B 18 13.013 -0.034 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.531 1.928 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.371 1.784 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.659 1.315 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.967 -0.079 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU B 18 10.074 -0.793 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.401 -1.698 -1.676 1.00 0.00 H new ATOM 583 N THR B 19 14.046 -2.699 -5.376 1.00 0.00 N ATOM 584 CA THR B 19 14.545 -3.893 -6.032 1.00 0.00 C ATOM 585 C THR B 19 14.347 -5.106 -5.132 1.00 0.00 C ATOM 586 O THR B 19 14.249 -4.972 -3.911 1.00 0.00 O ATOM 587 CB THR B 19 16.038 -3.766 -6.389 1.00 0.00 C ATOM 588 OG1 THR B 19 16.283 -2.513 -7.041 1.00 0.00 O ATOM 589 CG2 THR B 19 16.481 -4.905 -7.293 1.00 0.00 C ATOM 0 H THR B 19 13.995 -2.771 -4.360 1.00 0.00 H new ATOM 0 HA THR B 19 13.981 -4.017 -6.956 1.00 0.00 H new ATOM 0 HB THR B 19 16.612 -3.814 -5.463 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.235 -2.440 -7.263 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.539 -4.791 -7.530 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.323 -5.856 -6.784 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.899 -4.886 -8.214 1.00 0.00 H new ATOM 597 N GLN B 20 14.286 -6.277 -5.741 1.00 0.00 N ATOM 598 CA GLN B 20 14.099 -7.523 -5.003 1.00 0.00 C ATOM 599 C GLN B 20 15.083 -7.620 -3.840 1.00 0.00 C ATOM 600 O GLN B 20 16.253 -7.952 -4.027 1.00 0.00 O ATOM 601 CB GLN B 20 14.272 -8.721 -5.936 1.00 0.00 C ATOM 602 CG GLN B 20 13.236 -8.775 -7.049 1.00 0.00 C ATOM 603 CD GLN B 20 13.565 -9.811 -8.105 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.535 -10.361 -8.736 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.732 -10.112 -8.354 1.00 0.00 N flip ATOM 0 H GLN B 20 14.363 -6.396 -6.751 1.00 0.00 H new ATOM 0 HA GLN B 20 13.087 -7.530 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.268 -8.687 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.214 -9.639 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.259 -8.997 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.162 -7.794 -7.519 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.494 -9.664 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.937 -10.809 -9.070 1.00 0.00 H new ATOM 614 N GLY B 21 14.595 -7.322 -2.639 1.00 0.00 N ATOM 615 CA GLY B 21 15.436 -7.373 -1.458 1.00 0.00 C ATOM 616 C GLY B 21 15.338 -6.108 -0.627 1.00 0.00 C ATOM 617 O GLY B 21 16.256 -5.776 0.123 1.00 0.00 O ATOM 0 H GLY B 21 13.629 -7.045 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.150 -8.229 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.472 -7.528 -1.759 1.00 0.00 H new ATOM 621 N GLN B 22 14.220 -5.400 -0.763 1.00 0.00 N ATOM 622 CA GLN B 22 14.000 -4.161 -0.025 1.00 0.00 C ATOM 623 C GLN B 22 12.834 -4.304 0.950 1.00 0.00 C ATOM 624 O GLN B 22 11.672 -4.308 0.544 1.00 0.00 O ATOM 625 CB GLN B 22 13.726 -3.009 -0.994 1.00 0.00 C ATOM 626 CG GLN B 22 14.951 -2.557 -1.773 1.00 0.00 C ATOM 627 CD GLN B 22 15.764 -1.507 -1.036 1.00 0.00 C ATOM 628 OE1 GLN B 22 15.719 -1.539 0.291 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 16.424 -0.673 -1.656 1.00 0.00 N flip ATOM 0 H GLN B 22 13.451 -5.664 -1.379 1.00 0.00 H new ATOM 0 HA GLN B 22 14.903 -3.944 0.546 1.00 0.00 H new ATOM 0 HB2 GLN B 22 12.952 -3.315 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN B 22 13.330 -2.162 -0.434 1.00 0.00 H new ATOM 0 HG2 GLN B 22 15.583 -3.420 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN B 22 14.636 -2.155 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN B 22 16.431 -0.684 -2.676 1.00 0.00 H new ATOM 0 HE22 GLN B 22 16.964 0.029 -1.150 1.00 0.00 H new ATOM 638 N GLU B 23 13.152 -4.424 2.235 1.00 0.00 N ATOM 639 CA GLU B 23 12.125 -4.562 3.264 1.00 0.00 C ATOM 640 C GLU B 23 11.521 -3.210 3.619 1.00 0.00 C ATOM 641 O GLU B 23 12.123 -2.165 3.365 1.00 0.00 O ATOM 642 CB GLU B 23 12.713 -5.196 4.520 1.00 0.00 C ATOM 643 CG GLU B 23 12.919 -6.694 4.417 1.00 0.00 C ATOM 644 CD GLU B 23 13.757 -7.250 5.551 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.200 -7.477 6.644 1.00 0.00 O ATOM 646 OE2 GLU B 23 14.970 -7.460 5.343 1.00 0.00 O ATOM 0 H GLU B 23 14.109 -4.429 2.589 1.00 0.00 H new ATOM 0 HA GLU B 23 11.340 -5.204 2.865 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.670 -4.722 4.739 1.00 0.00 H new ATOM 0 HB3 GLU B 23 12.054 -4.988 5.362 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.949 -7.190 4.411 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.401 -6.926 3.467 1.00 0.00 H new ATOM 653 N LEU B 24 10.331 -3.237 4.207 1.00 0.00 N ATOM 654 CA LEU B 24 9.657 -2.011 4.611 1.00 0.00 C ATOM 655 C LEU B 24 8.603 -2.294 5.676 1.00 0.00 C ATOM 656 O LEU B 24 7.796 -3.217 5.539 1.00 0.00 O ATOM 657 CB LEU B 24 9.017 -1.329 3.400 1.00 0.00 C ATOM 658 CG LEU B 24 8.838 0.186 3.534 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.667 0.826 2.163 1.00 0.00 C ATOM 660 CD2 LEU B 24 7.656 0.517 4.431 1.00 0.00 C ATOM 0 H LEU B 24 9.815 -4.092 4.414 1.00 0.00 H new ATOM 0 HA LEU B 24 10.403 -1.340 5.038 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.629 -1.532 2.521 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.042 -1.781 3.220 1.00 0.00 H new ATOM 0 HG LEU B 24 9.737 0.594 3.997 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.541 1.903 2.277 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.550 0.626 1.556 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.788 0.408 1.673 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.551 1.599 4.510 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.746 0.094 4.005 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.822 0.096 5.422 1.00 0.00 H new ATOM 672 N VAL B 25 8.621 -1.493 6.739 1.00 0.00 N ATOM 673 CA VAL B 25 7.671 -1.645 7.833 1.00 0.00 C ATOM 674 C VAL B 25 6.986 -0.318 8.142 1.00 0.00 C ATOM 675 O VAL B 25 7.634 0.646 8.551 1.00 0.00 O ATOM 676 CB VAL B 25 8.362 -2.168 9.108 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.375 -2.257 10.261 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.011 -3.519 8.847 1.00 0.00 C ATOM 0 H VAL B 25 9.286 -0.730 6.864 1.00 0.00 H new ATOM 0 HA VAL B 25 6.925 -2.373 7.514 1.00 0.00 H new ATOM 0 HB VAL B 25 9.143 -1.461 9.388 1.00 0.00 H new ATOM 0 HG11 VAL B 25 7.886 -2.628 11.149 1.00 0.00 H new ATOM 0 HG12 VAL B 25 6.964 -1.268 10.465 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.566 -2.938 9.996 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.494 -3.873 9.758 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.249 -4.235 8.539 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.755 -3.419 8.057 1.00 0.00 H new ATOM 688 N LEU B 26 5.671 -0.273 7.945 1.00 0.00 N ATOM 689 CA LEU B 26 4.902 0.940 8.200 1.00 0.00 C ATOM 690 C LEU B 26 4.331 0.948 9.611 1.00 0.00 C ATOM 691 O LEU B 26 4.134 -0.104 10.222 1.00 0.00 O ATOM 692 CB LEU B 26 3.770 1.081 7.181 1.00 0.00 C ATOM 693 CG LEU B 26 4.203 1.568 5.798 1.00 0.00 C ATOM 694 CD1 LEU B 26 3.073 1.398 4.793 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.653 3.019 5.861 1.00 0.00 C ATOM 0 H LEU B 26 5.117 -1.061 7.610 1.00 0.00 H new ATOM 0 HA LEU B 26 5.581 1.787 8.101 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.277 0.115 7.072 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.028 1.774 7.578 1.00 0.00 H new ATOM 0 HG LEU B 26 5.047 0.962 5.468 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.400 1.750 3.815 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.800 0.345 4.727 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.208 1.977 5.116 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.958 3.349 4.868 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.830 3.640 6.213 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.495 3.109 6.547 1.00 0.00 H new ATOM 707 N THR B 27 4.064 2.145 10.121 1.00 0.00 N ATOM 708 CA THR B 27 3.513 2.306 11.461 1.00 0.00 C ATOM 709 C THR B 27 2.791 3.643 11.597 1.00 0.00 C ATOM 710 O THR B 27 3.423 4.690 11.725 1.00 0.00 O ATOM 711 CB THR B 27 4.613 2.217 12.537 1.00 0.00 C ATOM 712 OG1 THR B 27 5.315 0.974 12.422 1.00 0.00 O ATOM 713 CG2 THR B 27 4.018 2.338 13.934 1.00 0.00 C ATOM 0 H THR B 27 4.221 3.022 9.624 1.00 0.00 H new ATOM 0 HA THR B 27 2.803 1.493 11.613 1.00 0.00 H new ATOM 0 HB THR B 27 5.307 3.043 12.380 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.013 0.928 13.109 1.00 0.00 H new ATOM 0 HG21 THR B 27 4.814 2.272 14.676 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.510 3.297 14.031 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.303 1.531 14.096 1.00 0.00 H new ATOM 721 N LEU B 28 1.462 3.597 11.563 1.00 0.00 N ATOM 722 CA LEU B 28 0.653 4.806 11.679 1.00 0.00 C ATOM 723 C LEU B 28 0.034 4.912 13.074 1.00 0.00 C ATOM 724 O LEU B 28 -0.267 3.898 13.703 1.00 0.00 O ATOM 725 CB LEU B 28 -0.453 4.817 10.617 1.00 0.00 C ATOM 726 CG LEU B 28 0.012 5.059 9.175 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.755 6.384 9.066 1.00 0.00 C ATOM 728 CD2 LEU B 28 0.887 3.913 8.689 1.00 0.00 C ATOM 0 H LEU B 28 0.924 2.737 11.456 1.00 0.00 H new ATOM 0 HA LEU B 28 1.305 5.664 11.519 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.977 3.862 10.655 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.177 5.588 10.880 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.871 5.107 8.537 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.077 6.537 8.036 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.094 7.198 9.365 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.627 6.367 9.720 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.205 4.107 7.664 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.764 3.827 9.331 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.320 2.983 8.723 1.00 0.00 H new ATOM 740 N PRO B 29 -0.162 6.146 13.574 1.00 0.00 N ATOM 741 CA PRO B 29 -0.748 6.375 14.895 1.00 0.00 C ATOM 742 C PRO B 29 -2.268 6.247 14.885 1.00 0.00 C ATOM 743 O PRO B 29 -2.957 6.985 14.181 1.00 0.00 O ATOM 744 CB PRO B 29 -0.332 7.809 15.212 1.00 0.00 C ATOM 745 CG PRO B 29 -0.233 8.477 13.885 1.00 0.00 C ATOM 746 CD PRO B 29 0.173 7.415 12.895 1.00 0.00 C ATOM 0 HA PRO B 29 -0.410 5.644 15.629 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.066 8.302 15.850 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.620 7.837 15.741 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.187 8.923 13.604 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.501 9.283 13.911 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.367 7.519 11.954 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.236 7.474 12.660 1.00 0.00 H new ATOM 754 N SER B 30 -2.783 5.307 15.672 1.00 0.00 N ATOM 755 CA SER B 30 -4.221 5.083 15.754 1.00 0.00 C ATOM 756 C SER B 30 -4.707 5.181 17.198 1.00 0.00 C ATOM 757 O SER B 30 -3.939 5.515 18.099 1.00 0.00 O ATOM 758 CB SER B 30 -4.579 3.712 15.178 1.00 0.00 C ATOM 759 OG SER B 30 -3.958 2.672 15.913 1.00 0.00 O ATOM 0 H SER B 30 -2.225 4.689 16.261 1.00 0.00 H new ATOM 0 HA SER B 30 -4.717 5.857 15.168 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.661 3.578 15.195 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.268 3.660 14.135 1.00 0.00 H new ATOM 0 HG SER B 30 -3.930 1.858 15.368 1.00 0.00 H new ATOM 765 N ASN B 31 -5.988 4.887 17.406 1.00 0.00 N ATOM 766 CA ASN B 31 -6.576 4.940 18.738 1.00 0.00 C ATOM 767 C ASN B 31 -7.452 3.714 18.996 1.00 0.00 C ATOM 768 O ASN B 31 -8.635 3.705 18.656 1.00 0.00 O ATOM 769 CB ASN B 31 -7.406 6.216 18.899 1.00 0.00 C ATOM 770 CG ASN B 31 -6.580 7.472 18.702 1.00 0.00 C ATOM 771 OD1 ASN B 31 -6.461 7.980 17.588 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.005 7.978 19.787 1.00 0.00 N ATOM 0 H ASN B 31 -6.636 4.610 16.669 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.766 4.945 19.467 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -8.225 6.207 18.180 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.854 6.231 19.892 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.437 8.822 19.716 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.132 7.522 20.691 1.00 0.00 H new ATOM 779 N PRO B 32 -6.876 2.653 19.595 1.00 0.00 N ATOM 780 CA PRO B 32 -7.614 1.420 19.896 1.00 0.00 C ATOM 781 C PRO B 32 -8.796 1.662 20.829 1.00 0.00 C ATOM 782 O PRO B 32 -9.666 0.806 20.979 1.00 0.00 O ATOM 783 CB PRO B 32 -6.570 0.529 20.584 1.00 0.00 C ATOM 784 CG PRO B 32 -5.253 1.092 20.177 1.00 0.00 C ATOM 785 CD PRO B 32 -5.468 2.568 20.017 1.00 0.00 C ATOM 0 HA PRO B 32 -8.043 0.980 18.996 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.689 0.547 21.667 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -6.669 -0.510 20.269 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.492 0.888 20.930 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.908 0.644 19.245 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.293 3.105 20.949 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.797 2.995 19.272 1.00 0.00 H new ATOM 793 N THR B 33 -8.821 2.837 21.451 1.00 0.00 N ATOM 794 CA THR B 33 -9.893 3.193 22.371 1.00 0.00 C ATOM 795 C THR B 33 -11.164 3.572 21.617 1.00 0.00 C ATOM 796 O THR B 33 -12.274 3.366 22.108 1.00 0.00 O ATOM 797 CB THR B 33 -9.481 4.364 23.284 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.268 4.045 23.975 1.00 0.00 O ATOM 799 CG2 THR B 33 -10.576 4.678 24.295 1.00 0.00 C ATOM 0 H THR B 33 -8.110 3.559 21.334 1.00 0.00 H new ATOM 0 HA THR B 33 -10.089 2.314 22.985 1.00 0.00 H new ATOM 0 HB THR B 33 -9.324 5.242 22.658 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.013 4.795 24.551 1.00 0.00 H new ATOM 0 HG21 THR B 33 -10.260 5.508 24.927 1.00 0.00 H new ATOM 0 HG22 THR B 33 -11.490 4.950 23.768 1.00 0.00 H new ATOM 0 HG23 THR B 33 -10.762 3.801 24.914 1.00 0.00 H new ATOM 807 N THR B 34 -10.996 4.123 20.417 1.00 0.00 N ATOM 808 CA THR B 34 -12.130 4.532 19.600 1.00 0.00 C ATOM 809 C THR B 34 -12.641 3.383 18.734 1.00 0.00 C ATOM 810 O THR B 34 -13.689 2.804 19.015 1.00 0.00 O ATOM 811 CB THR B 34 -11.773 5.727 18.696 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.608 5.427 17.918 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.524 6.977 19.527 1.00 0.00 C ATOM 0 H THR B 34 -10.085 4.295 19.991 1.00 0.00 H new ATOM 0 HA THR B 34 -12.918 4.832 20.291 1.00 0.00 H new ATOM 0 HB THR B 34 -12.615 5.912 18.029 1.00 0.00 H new ATOM 0 HG1 THR B 34 -10.058 4.769 18.393 1.00 0.00 H new ATOM 0 HG21 THR B 34 -11.274 7.808 18.868 1.00 0.00 H new ATOM 0 HG22 THR B 34 -12.422 7.222 20.094 1.00 0.00 H new ATOM 0 HG23 THR B 34 -10.698 6.798 20.215 1.00 0.00 H new ATOM 821 N GLY B 35 -11.893 3.056 17.684 1.00 0.00 N ATOM 822 CA GLY B 35 -12.289 1.982 16.795 1.00 0.00 C ATOM 823 C GLY B 35 -11.812 2.222 15.381 1.00 0.00 C ATOM 824 O GLY B 35 -11.756 1.300 14.568 1.00 0.00 O ATOM 0 H GLY B 35 -11.018 3.518 17.434 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -11.883 1.039 17.161 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.375 1.886 16.801 1.00 0.00 H new ATOM 828 N PHE B 36 -11.465 3.472 15.091 1.00 0.00 N ATOM 829 CA PHE B 36 -10.983 3.843 13.772 1.00 0.00 C ATOM 830 C PHE B 36 -9.504 3.540 13.631 1.00 0.00 C ATOM 831 O PHE B 36 -8.647 4.294 14.091 1.00 0.00 O ATOM 832 CB PHE B 36 -11.228 5.321 13.513 1.00 0.00 C ATOM 833 CG PHE B 36 -12.633 5.638 13.085 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.705 5.379 13.923 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.879 6.195 11.840 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.996 5.670 13.529 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.169 6.488 11.440 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.230 6.225 12.284 1.00 0.00 C ATOM 0 H PHE B 36 -11.510 4.244 15.756 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.533 3.254 13.038 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.999 5.882 14.419 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.537 5.664 12.743 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.529 4.944 14.896 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.054 6.402 11.175 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.823 5.464 14.193 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.347 6.923 10.468 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.239 6.452 11.973 1.00 0.00 H new ATOM 848 N ARG B 37 -9.221 2.418 13.008 1.00 0.00 N ATOM 849 CA ARG B 37 -7.853 1.981 12.769 1.00 0.00 C ATOM 850 C ARG B 37 -7.401 2.400 11.375 1.00 0.00 C ATOM 851 O ARG B 37 -7.962 3.322 10.781 1.00 0.00 O ATOM 852 CB ARG B 37 -7.760 0.462 12.897 1.00 0.00 C ATOM 853 CG ARG B 37 -6.511 -0.014 13.618 1.00 0.00 C ATOM 854 CD ARG B 37 -6.554 0.329 15.099 1.00 0.00 C ATOM 855 NE ARG B 37 -5.389 -0.183 15.813 1.00 0.00 N ATOM 856 CZ ARG B 37 -5.441 -0.689 17.042 1.00 0.00 C ATOM 857 NH1 ARG B 37 -6.598 -0.755 17.687 1.00 0.00 N ATOM 858 NH2 ARG B 37 -4.336 -1.133 17.625 1.00 0.00 N ATOM 0 H ARG B 37 -9.930 1.778 12.650 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.205 2.448 13.511 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -8.638 0.097 13.430 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.785 0.020 11.901 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -6.409 -1.092 13.497 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -5.632 0.443 13.164 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.606 1.411 15.219 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.461 -0.085 15.541 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.484 -0.151 15.343 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -7.451 -0.417 17.241 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -6.635 -1.144 18.629 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.445 -1.087 17.131 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -4.377 -1.521 18.568 1.00 0.00 H new ATOM 872 N TRP B 38 -6.385 1.719 10.857 1.00 0.00 N ATOM 873 CA TRP B 38 -5.872 2.009 9.526 1.00 0.00 C ATOM 874 C TRP B 38 -5.974 0.776 8.637 1.00 0.00 C ATOM 875 O TRP B 38 -5.356 -0.253 8.911 1.00 0.00 O ATOM 876 CB TRP B 38 -4.421 2.493 9.598 1.00 0.00 C ATOM 877 CG TRP B 38 -4.274 3.828 10.263 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.102 4.062 11.596 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.284 5.111 9.627 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.009 5.414 11.829 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.119 6.079 10.635 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.421 5.537 8.301 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.084 7.445 10.361 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.387 6.892 8.029 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.219 7.833 9.055 1.00 0.00 C ATOM 0 H TRP B 38 -5.901 0.962 11.340 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.478 2.804 9.092 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -3.826 1.757 10.140 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.014 2.551 8.588 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.047 3.297 12.357 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.879 5.851 12.741 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.551 4.820 7.504 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.955 8.171 11.150 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.492 7.232 7.009 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -4.196 8.885 8.810 1.00 0.00 H new ATOM 896 N GLU B 39 -6.761 0.885 7.571 1.00 0.00 N ATOM 897 CA GLU B 39 -6.955 -0.227 6.646 1.00 0.00 C ATOM 898 C GLU B 39 -6.101 -0.056 5.395 1.00 0.00 C ATOM 899 O GLU B 39 -5.866 1.062 4.939 1.00 0.00 O ATOM 900 CB GLU B 39 -8.431 -0.342 6.263 1.00 0.00 C ATOM 901 CG GLU B 39 -8.744 -1.545 5.390 1.00 0.00 C ATOM 902 CD GLU B 39 -10.223 -1.667 5.076 1.00 0.00 C ATOM 903 OE1 GLU B 39 -10.682 -1.018 4.114 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.921 -2.414 5.795 1.00 0.00 O ATOM 0 H GLU B 39 -7.275 1.732 7.326 1.00 0.00 H new ATOM 0 HA GLU B 39 -6.643 -1.143 7.147 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.030 -0.399 7.172 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -8.733 0.565 5.738 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -8.183 -1.469 4.458 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -8.407 -2.452 5.892 1.00 0.00 H new ATOM 911 N LEU B 40 -5.637 -1.175 4.845 1.00 0.00 N ATOM 912 CA LEU B 40 -4.809 -1.151 3.645 1.00 0.00 C ATOM 913 C LEU B 40 -5.592 -1.669 2.442 1.00 0.00 C ATOM 914 O LEU B 40 -5.794 -2.874 2.293 1.00 0.00 O ATOM 915 CB LEU B 40 -3.549 -1.997 3.855 1.00 0.00 C ATOM 916 CG LEU B 40 -2.273 -1.438 3.217 1.00 0.00 C ATOM 917 CD1 LEU B 40 -1.096 -2.366 3.475 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.467 -1.222 1.723 1.00 0.00 C ATOM 0 H LEU B 40 -5.821 -2.109 5.212 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.515 -0.120 3.450 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -3.381 -2.110 4.926 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.730 -2.994 3.454 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.057 -0.473 3.675 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.199 -1.952 3.014 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.940 -2.465 4.549 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.305 -3.346 3.047 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.549 -0.825 1.291 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.711 -2.172 1.247 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.280 -0.515 1.560 1.00 0.00 H new ATOM 930 N ARG B 41 -6.033 -0.750 1.587 1.00 0.00 N ATOM 931 CA ARG B 41 -6.796 -1.111 0.398 1.00 0.00 C ATOM 932 C ARG B 41 -5.907 -1.787 -0.643 1.00 0.00 C ATOM 933 O ARG B 41 -6.069 -2.972 -0.935 1.00 0.00 O ATOM 934 CB ARG B 41 -7.454 0.131 -0.209 1.00 0.00 C ATOM 935 CG ARG B 41 -8.470 0.797 0.708 1.00 0.00 C ATOM 936 CD ARG B 41 -9.764 0.000 0.792 1.00 0.00 C ATOM 937 NE ARG B 41 -9.587 -1.272 1.488 1.00 0.00 N ATOM 938 CZ ARG B 41 -10.471 -2.265 1.449 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.588 -2.135 0.746 1.00 0.00 N ATOM 940 NH2 ARG B 41 -10.237 -3.390 2.111 1.00 0.00 N ATOM 0 H ARG B 41 -5.874 0.252 1.697 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.570 -1.817 0.699 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.679 0.854 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.947 -0.149 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -8.044 0.904 1.705 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.685 1.802 0.344 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -10.520 0.592 1.308 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.138 -0.188 -0.214 1.00 0.00 H new ATOM 0 HE ARG B 41 -8.737 -1.406 2.035 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.771 -1.272 0.234 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.264 -2.898 0.718 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -9.378 -3.495 2.651 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -10.916 -4.151 2.080 1.00 0.00 H new ATOM 954 N ASN B 42 -4.971 -1.026 -1.199 1.00 0.00 N ATOM 955 CA ASN B 42 -4.058 -1.552 -2.209 1.00 0.00 C ATOM 956 C ASN B 42 -2.644 -1.686 -1.641 1.00 0.00 C ATOM 957 O ASN B 42 -1.874 -0.727 -1.651 1.00 0.00 O ATOM 958 CB ASN B 42 -4.045 -0.641 -3.437 1.00 0.00 C ATOM 959 CG ASN B 42 -3.344 -1.275 -4.622 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.306 -2.498 -4.756 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.785 -0.443 -5.494 1.00 0.00 N ATOM 0 H ASN B 42 -4.824 -0.043 -0.968 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.408 -2.541 -2.505 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -5.070 -0.395 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.550 0.297 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.301 -0.812 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.840 0.565 -5.345 1.00 0.00 H new ATOM 968 N PRO B 43 -2.287 -2.880 -1.132 1.00 0.00 N ATOM 969 CA PRO B 43 -0.965 -3.128 -0.557 1.00 0.00 C ATOM 970 C PRO B 43 0.094 -3.427 -1.611 1.00 0.00 C ATOM 971 O PRO B 43 1.210 -3.828 -1.281 1.00 0.00 O ATOM 972 CB PRO B 43 -1.203 -4.354 0.317 1.00 0.00 C ATOM 973 CG PRO B 43 -2.280 -5.108 -0.382 1.00 0.00 C ATOM 974 CD PRO B 43 -3.143 -4.082 -1.070 1.00 0.00 C ATOM 0 HA PRO B 43 -0.583 -2.259 -0.022 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.298 -4.954 0.414 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.507 -4.070 1.324 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.858 -5.807 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.865 -5.695 0.326 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.440 -4.413 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.059 -3.891 -0.511 1.00 0.00 H new ATOM 982 N ALA B 44 -0.258 -3.229 -2.878 1.00 0.00 N ATOM 983 CA ALA B 44 0.671 -3.485 -3.975 1.00 0.00 C ATOM 984 C ALA B 44 1.195 -4.915 -3.911 1.00 0.00 C ATOM 985 O ALA B 44 2.333 -5.185 -4.288 1.00 0.00 O ATOM 986 CB ALA B 44 1.828 -2.499 -3.924 1.00 0.00 C ATOM 0 H ALA B 44 -1.176 -2.893 -3.170 1.00 0.00 H new ATOM 0 HA ALA B 44 0.138 -3.355 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.514 -2.700 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.444 -1.483 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.356 -2.607 -2.977 1.00 0.00 H new ATOM 992 N ALA B 45 0.350 -5.826 -3.438 1.00 0.00 N ATOM 993 CA ALA B 45 0.720 -7.233 -3.313 1.00 0.00 C ATOM 994 C ALA B 45 1.163 -7.823 -4.649 1.00 0.00 C ATOM 995 O ALA B 45 1.767 -8.895 -4.694 1.00 0.00 O ATOM 996 CB ALA B 45 -0.443 -8.031 -2.743 1.00 0.00 C ATOM 0 H ALA B 45 -0.600 -5.614 -3.133 1.00 0.00 H new ATOM 0 HA ALA B 45 1.567 -7.294 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.156 -9.079 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.704 -7.641 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.303 -7.945 -3.407 1.00 0.00 H new ATOM 1002 N SER B 46 0.863 -7.118 -5.735 1.00 0.00 N ATOM 1003 CA SER B 46 1.231 -7.579 -7.071 1.00 0.00 C ATOM 1004 C SER B 46 2.743 -7.528 -7.271 1.00 0.00 C ATOM 1005 O SER B 46 3.272 -8.120 -8.213 1.00 0.00 O ATOM 1006 CB SER B 46 0.533 -6.730 -8.135 1.00 0.00 C ATOM 1007 OG SER B 46 0.890 -7.155 -9.439 1.00 0.00 O ATOM 0 H SER B 46 0.367 -6.227 -5.718 1.00 0.00 H new ATOM 0 HA SER B 46 0.907 -8.615 -7.172 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.548 -6.799 -8.009 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.803 -5.682 -8.004 1.00 0.00 H new ATOM 0 HG SER B 46 0.430 -6.598 -10.102 1.00 0.00 H new ATOM 1013 N VAL B 47 3.432 -6.817 -6.385 1.00 0.00 N ATOM 1014 CA VAL B 47 4.884 -6.685 -6.470 1.00 0.00 C ATOM 1015 C VAL B 47 5.517 -6.682 -5.083 1.00 0.00 C ATOM 1016 O VAL B 47 6.737 -6.773 -4.946 1.00 0.00 O ATOM 1017 CB VAL B 47 5.288 -5.390 -7.200 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.729 -5.376 -8.613 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.821 -4.169 -6.422 1.00 0.00 C ATOM 0 H VAL B 47 3.009 -6.323 -5.599 1.00 0.00 H new ATOM 0 HA VAL B 47 5.246 -7.544 -7.034 1.00 0.00 H new ATOM 0 HB VAL B 47 6.376 -5.357 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.025 -4.453 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL B 47 5.119 -6.230 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.641 -5.435 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.116 -3.264 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.736 -4.194 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.276 -4.173 -5.432 1.00 0.00 H new ATOM 1029 N LEU B 48 4.679 -6.577 -4.059 1.00 0.00 N ATOM 1030 CA LEU B 48 5.153 -6.553 -2.680 1.00 0.00 C ATOM 1031 C LEU B 48 4.658 -7.772 -1.909 1.00 0.00 C ATOM 1032 O LEU B 48 3.453 -7.995 -1.787 1.00 0.00 O ATOM 1033 CB LEU B 48 4.689 -5.268 -1.987 1.00 0.00 C ATOM 1034 CG LEU B 48 5.242 -3.969 -2.578 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.757 -2.772 -1.776 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.765 -4.000 -2.618 1.00 0.00 C ATOM 0 H LEU B 48 3.666 -6.507 -4.157 1.00 0.00 H new ATOM 0 HA LEU B 48 6.243 -6.579 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.600 -5.229 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU B 48 4.973 -5.319 -0.936 1.00 0.00 H new ATOM 0 HG LEU B 48 4.875 -3.875 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.159 -1.856 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.668 -2.736 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.096 -2.864 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.137 -3.067 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.153 -4.119 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.096 -4.836 -3.235 1.00 0.00 H new ATOM 1048 N LYS B 49 5.597 -8.559 -1.391 1.00 0.00 N ATOM 1049 CA LYS B 49 5.261 -9.755 -0.628 1.00 0.00 C ATOM 1050 C LYS B 49 5.683 -9.597 0.831 1.00 0.00 C ATOM 1051 O LYS B 49 5.990 -8.493 1.273 1.00 0.00 O ATOM 1052 CB LYS B 49 5.934 -10.977 -1.253 1.00 0.00 C ATOM 1053 CG LYS B 49 5.213 -12.281 -0.982 1.00 0.00 C ATOM 1054 CD LYS B 49 4.727 -12.895 -2.276 1.00 0.00 C ATOM 1055 CE LYS B 49 3.434 -12.251 -2.747 1.00 0.00 C ATOM 1056 NZ LYS B 49 2.295 -12.562 -1.841 1.00 0.00 N ATOM 0 H LYS B 49 6.598 -8.389 -1.487 1.00 0.00 H new ATOM 0 HA LYS B 49 4.181 -9.897 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.004 -10.829 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS B 49 6.953 -11.051 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.882 -12.974 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.368 -12.105 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS B 49 5.492 -12.781 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS B 49 4.572 -13.965 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.567 -11.171 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.202 -12.598 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.399 -12.425 -2.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.365 -13.549 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.324 -11.929 -1.016 1.00 0.00 H new ATOM 1070 N ARG B 50 5.684 -10.702 1.573 1.00 0.00 N ATOM 1071 CA ARG B 50 6.067 -10.695 2.984 1.00 0.00 C ATOM 1072 C ARG B 50 5.025 -9.977 3.839 1.00 0.00 C ATOM 1073 O ARG B 50 5.332 -9.474 4.921 1.00 0.00 O ATOM 1074 CB ARG B 50 7.450 -10.064 3.173 1.00 0.00 C ATOM 1075 CG ARG B 50 8.069 -10.355 4.532 1.00 0.00 C ATOM 1076 CD ARG B 50 9.490 -9.826 4.628 1.00 0.00 C ATOM 1077 NE ARG B 50 10.086 -10.091 5.934 1.00 0.00 N ATOM 1078 CZ ARG B 50 11.398 -10.103 6.157 1.00 0.00 C ATOM 1079 NH1 ARG B 50 12.246 -9.873 5.163 1.00 0.00 N ATOM 1080 NH2 ARG B 50 11.860 -10.347 7.374 1.00 0.00 N ATOM 0 H ARG B 50 5.422 -11.621 1.217 1.00 0.00 H new ATOM 0 HA ARG B 50 6.116 -11.732 3.317 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.117 -10.430 2.393 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.369 -8.985 3.043 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.459 -9.903 5.314 1.00 0.00 H new ATOM 0 HG3 ARG B 50 8.068 -11.430 4.709 1.00 0.00 H new ATOM 0 HD2 ARG B 50 10.101 -10.285 3.851 1.00 0.00 H new ATOM 0 HD3 ARG B 50 9.490 -8.752 4.441 1.00 0.00 H new ATOM 0 HE ARG B 50 9.462 -10.277 6.719 1.00 0.00 H new ATOM 0 HH11 ARG B 50 11.893 -9.686 4.224 1.00 0.00 H new ATOM 0 HH12 ARG B 50 13.251 -9.883 5.337 1.00 0.00 H new ATOM 0 HH21 ARG B 50 11.210 -10.526 8.140 1.00 0.00 H new ATOM 0 HH22 ARG B 50 12.865 -10.356 7.545 1.00 0.00 H new ATOM 1094 N LEU B 51 3.787 -9.940 3.355 1.00 0.00 N ATOM 1095 CA LEU B 51 2.699 -9.300 4.090 1.00 0.00 C ATOM 1096 C LEU B 51 2.087 -10.274 5.091 1.00 0.00 C ATOM 1097 O LEU B 51 1.554 -11.314 4.709 1.00 0.00 O ATOM 1098 CB LEU B 51 1.616 -8.795 3.134 1.00 0.00 C ATOM 1099 CG LEU B 51 1.998 -7.563 2.314 1.00 0.00 C ATOM 1100 CD1 LEU B 51 2.978 -7.940 1.220 1.00 0.00 C ATOM 1101 CD2 LEU B 51 0.761 -6.908 1.724 1.00 0.00 C ATOM 0 H LEU B 51 3.512 -10.344 2.460 1.00 0.00 H new ATOM 0 HA LEU B 51 3.114 -8.448 4.628 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.353 -9.601 2.449 1.00 0.00 H new ATOM 0 HB3 LEU B 51 0.721 -8.564 3.712 1.00 0.00 H new ATOM 0 HG LEU B 51 2.480 -6.844 2.976 1.00 0.00 H new ATOM 0 HD11 LEU B 51 3.240 -7.052 0.645 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.878 -8.362 1.667 1.00 0.00 H new ATOM 0 HD13 LEU B 51 2.521 -8.678 0.560 1.00 0.00 H new ATOM 0 HD21 LEU B 51 1.054 -6.033 1.144 1.00 0.00 H new ATOM 0 HD22 LEU B 51 0.248 -7.618 1.075 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.092 -6.602 2.529 1.00 0.00 H new ATOM 1113 N GLY B 52 2.165 -9.932 6.374 1.00 0.00 N ATOM 1114 CA GLY B 52 1.614 -10.797 7.401 1.00 0.00 C ATOM 1115 C GLY B 52 0.868 -10.030 8.478 1.00 0.00 C ATOM 1116 O GLY B 52 0.946 -8.803 8.539 1.00 0.00 O ATOM 0 H GLY B 52 2.598 -9.075 6.719 1.00 0.00 H new ATOM 0 HA2 GLY B 52 0.938 -11.516 6.939 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.421 -11.368 7.861 1.00 0.00 H new ATOM 1120 N PRO B 53 0.134 -10.742 9.350 1.00 0.00 N ATOM 1121 CA PRO B 53 -0.633 -10.131 10.433 1.00 0.00 C ATOM 1122 C PRO B 53 0.203 -9.931 11.696 1.00 0.00 C ATOM 1123 O PRO B 53 1.401 -9.659 11.618 1.00 0.00 O ATOM 1124 CB PRO B 53 -1.730 -11.165 10.666 1.00 0.00 C ATOM 1125 CG PRO B 53 -1.068 -12.473 10.393 1.00 0.00 C ATOM 1126 CD PRO B 53 -0.016 -12.209 9.345 1.00 0.00 C ATOM 0 HA PRO B 53 -0.998 -9.134 10.187 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -2.111 -11.117 11.686 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -2.578 -11.002 10.001 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -0.619 -12.878 11.300 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -1.791 -13.208 10.040 1.00 0.00 H new ATOM 0 HD2 PRO B 53 0.923 -12.707 9.588 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -0.327 -12.575 8.366 1.00 0.00 H new ATOM 1134 N GLU B 54 -0.443 -10.063 12.854 1.00 0.00 N ATOM 1135 CA GLU B 54 0.230 -9.904 14.143 1.00 0.00 C ATOM 1136 C GLU B 54 0.701 -8.466 14.341 1.00 0.00 C ATOM 1137 O GLU B 54 1.609 -7.997 13.654 1.00 0.00 O ATOM 1138 CB GLU B 54 1.417 -10.864 14.253 1.00 0.00 C ATOM 1139 CG GLU B 54 1.034 -12.327 14.106 1.00 0.00 C ATOM 1140 CD GLU B 54 2.223 -13.259 14.217 1.00 0.00 C ATOM 1141 OE1 GLU B 54 2.848 -13.551 13.175 1.00 0.00 O ATOM 1142 OE2 GLU B 54 2.533 -13.696 15.344 1.00 0.00 O ATOM 0 H GLU B 54 -1.437 -10.281 12.926 1.00 0.00 H new ATOM 0 HA GLU B 54 -0.489 -10.142 14.926 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.150 -10.611 13.487 1.00 0.00 H new ATOM 0 HB3 GLU B 54 1.902 -10.720 15.219 1.00 0.00 H new ATOM 0 HG2 GLU B 54 0.303 -12.585 14.872 1.00 0.00 H new ATOM 0 HG3 GLU B 54 0.550 -12.476 13.141 1.00 0.00 H new ATOM 1149 N VAL B 55 0.076 -7.775 15.290 1.00 0.00 N ATOM 1150 CA VAL B 55 0.428 -6.391 15.587 1.00 0.00 C ATOM 1151 C VAL B 55 1.007 -6.262 16.991 1.00 0.00 C ATOM 1152 O VAL B 55 0.743 -7.094 17.860 1.00 0.00 O ATOM 1153 CB VAL B 55 -0.794 -5.463 15.459 1.00 0.00 C ATOM 1154 CG1 VAL B 55 -1.217 -5.333 14.002 1.00 0.00 C ATOM 1155 CG2 VAL B 55 -1.945 -5.970 16.314 1.00 0.00 C ATOM 0 H VAL B 55 -0.677 -8.151 15.866 1.00 0.00 H new ATOM 0 HA VAL B 55 1.181 -6.091 14.858 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.514 -4.474 15.821 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.082 -4.673 13.932 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -0.395 -4.916 13.420 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -1.478 -6.316 13.610 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.799 -5.300 16.209 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.227 -6.971 15.988 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.635 -6.003 17.359 1.00 0.00 H new ATOM 1165 N TYR B 56 1.801 -5.213 17.203 1.00 0.00 N ATOM 1166 CA TYR B 56 2.429 -4.963 18.500 1.00 0.00 C ATOM 1167 C TYR B 56 3.415 -6.072 18.861 1.00 0.00 C ATOM 1168 O TYR B 56 3.254 -7.220 18.446 1.00 0.00 O ATOM 1169 CB TYR B 56 1.369 -4.828 19.598 1.00 0.00 C ATOM 1170 CG TYR B 56 0.460 -3.633 19.422 1.00 0.00 C ATOM 1171 CD1 TYR B 56 0.870 -2.361 19.808 1.00 0.00 C ATOM 1172 CD2 TYR B 56 -0.808 -3.774 18.872 1.00 0.00 C ATOM 1173 CE1 TYR B 56 0.041 -1.266 19.651 1.00 0.00 C ATOM 1174 CE2 TYR B 56 -1.642 -2.684 18.712 1.00 0.00 C ATOM 1175 CZ TYR B 56 -1.212 -1.434 19.102 1.00 0.00 C ATOM 1176 OH TYR B 56 -2.040 -0.346 18.945 1.00 0.00 O ATOM 0 H TYR B 56 2.025 -4.520 16.489 1.00 0.00 H new ATOM 0 HA TYR B 56 2.980 -4.026 18.423 1.00 0.00 H new ATOM 0 HB2 TYR B 56 0.763 -5.734 19.619 1.00 0.00 H new ATOM 0 HB3 TYR B 56 1.867 -4.755 20.565 1.00 0.00 H new ATOM 0 HD1 TYR B 56 1.852 -2.227 20.237 1.00 0.00 H new ATOM 0 HD2 TYR B 56 -1.148 -4.752 18.564 1.00 0.00 H new ATOM 0 HE1 TYR B 56 0.373 -0.285 19.957 1.00 0.00 H new ATOM 0 HE2 TYR B 56 -2.625 -2.811 18.284 1.00 0.00 H new ATOM 0 HH TYR B 56 -2.788 -0.411 19.575 1.00 0.00 H new ATOM 1186 N SER B 57 4.434 -5.718 19.633 1.00 0.00 N ATOM 1187 CA SER B 57 5.449 -6.679 20.053 1.00 0.00 C ATOM 1188 C SER B 57 6.124 -6.227 21.345 1.00 0.00 C ATOM 1189 O SER B 57 6.844 -5.229 21.363 1.00 0.00 O ATOM 1190 CB SER B 57 6.496 -6.861 18.954 1.00 0.00 C ATOM 1191 OG SER B 57 5.907 -7.349 17.761 1.00 0.00 O ATOM 0 H SER B 57 4.581 -4.771 19.982 1.00 0.00 H new ATOM 0 HA SER B 57 4.956 -7.634 20.236 1.00 0.00 H new ATOM 0 HB2 SER B 57 6.989 -5.909 18.756 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.266 -7.554 19.293 1.00 0.00 H new ATOM 0 HG SER B 57 6.598 -7.455 17.074 1.00 0.00 H new ATOM 1197 N ASN B 58 5.884 -6.969 22.422 1.00 0.00 N ATOM 1198 CA ASN B 58 6.470 -6.643 23.718 1.00 0.00 C ATOM 1199 C ASN B 58 7.747 -7.442 23.957 1.00 0.00 C ATOM 1200 O ASN B 58 7.979 -8.470 23.321 1.00 0.00 O ATOM 1201 CB ASN B 58 5.464 -6.917 24.839 1.00 0.00 C ATOM 1202 CG ASN B 58 4.909 -8.329 24.794 1.00 0.00 C ATOM 1203 OD1 ASN B 58 5.577 -9.259 24.347 1.00 0.00 O ATOM 1204 ND2 ASN B 58 3.676 -8.493 25.257 1.00 0.00 N ATOM 0 H ASN B 58 5.289 -7.798 22.423 1.00 0.00 H new ATOM 0 HA ASN B 58 6.723 -5.583 23.717 1.00 0.00 H new ATOM 0 HB2 ASN B 58 5.945 -6.751 25.803 1.00 0.00 H new ATOM 0 HB3 ASN B 58 4.642 -6.205 24.766 1.00 0.00 H new ATOM 0 HD21 ASN B 58 3.248 -9.419 25.251 1.00 0.00 H new ATOM 0 HD22 ASN B 58 3.157 -7.693 25.619 1.00 0.00 H new ATOM 1211 N SER B 59 8.574 -6.959 24.879 1.00 0.00 N ATOM 1212 CA SER B 59 9.831 -7.624 25.205 1.00 0.00 C ATOM 1213 C SER B 59 10.201 -7.399 26.666 1.00 0.00 C ATOM 1214 O SER B 59 10.315 -8.347 27.443 1.00 0.00 O ATOM 1215 CB SER B 59 10.953 -7.114 24.298 1.00 0.00 C ATOM 1216 OG SER B 59 10.654 -7.350 22.933 1.00 0.00 O ATOM 0 H SER B 59 8.396 -6.109 25.414 1.00 0.00 H new ATOM 0 HA SER B 59 9.700 -8.694 25.042 1.00 0.00 H new ATOM 0 HB2 SER B 59 11.100 -6.046 24.462 1.00 0.00 H new ATOM 0 HB3 SER B 59 11.889 -7.608 24.559 1.00 0.00 H new ATOM 0 HG SER B 59 11.386 -7.013 22.375 1.00 0.00 H new ATOM 1222 N GLU B 60 10.389 -6.133 27.035 1.00 0.00 N ATOM 1223 CA GLU B 60 10.745 -5.780 28.404 1.00 0.00 C ATOM 1224 C GLU B 60 9.830 -4.683 28.937 1.00 0.00 C ATOM 1225 O GLU B 60 10.134 -4.037 29.940 1.00 0.00 O ATOM 1226 CB GLU B 60 12.200 -5.325 28.474 1.00 0.00 C ATOM 1227 CG GLU B 60 13.191 -6.381 28.012 1.00 0.00 C ATOM 1228 CD GLU B 60 14.627 -5.897 28.074 1.00 0.00 C ATOM 1229 OE1 GLU B 60 15.112 -5.339 27.067 1.00 0.00 O ATOM 1230 OE2 GLU B 60 15.268 -6.078 29.131 1.00 0.00 O ATOM 0 H GLU B 60 10.300 -5.337 26.404 1.00 0.00 H new ATOM 0 HA GLU B 60 10.620 -6.667 29.026 1.00 0.00 H new ATOM 0 HB2 GLU B 60 12.322 -4.431 27.862 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.435 -5.043 29.500 1.00 0.00 H new ATOM 0 HG2 GLU B 60 13.084 -7.271 28.632 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.954 -6.675 26.989 1.00 0.00 H new ATOM 1237 N GLU B 61 8.705 -4.485 28.260 1.00 0.00 N ATOM 1238 CA GLU B 61 7.739 -3.468 28.657 1.00 0.00 C ATOM 1239 C GLU B 61 6.728 -4.037 29.647 1.00 0.00 C ATOM 1240 O GLU B 61 6.806 -5.204 30.030 1.00 0.00 O ATOM 1241 CB GLU B 61 7.012 -2.916 27.429 1.00 0.00 C ATOM 1242 CG GLU B 61 7.922 -2.188 26.452 1.00 0.00 C ATOM 1243 CD GLU B 61 8.905 -3.112 25.763 1.00 0.00 C ATOM 1244 OE1 GLU B 61 8.522 -3.738 24.752 1.00 0.00 O ATOM 1245 OE2 GLU B 61 10.058 -3.207 26.231 1.00 0.00 O ATOM 0 H GLU B 61 8.439 -5.017 27.431 1.00 0.00 H new ATOM 0 HA GLU B 61 8.282 -2.657 29.143 1.00 0.00 H new ATOM 0 HB2 GLU B 61 6.521 -3.738 26.909 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.228 -2.234 27.759 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.313 -1.687 25.700 1.00 0.00 H new ATOM 0 HG3 GLU B 61 8.472 -1.412 26.984 1.00 0.00 H new ATOM 1252 N ASP B 62 5.778 -3.201 30.058 1.00 0.00 N ATOM 1253 CA ASP B 62 4.748 -3.618 31.003 1.00 0.00 C ATOM 1254 C ASP B 62 3.381 -3.669 30.329 1.00 0.00 C ATOM 1255 O ASP B 62 2.449 -4.288 30.839 1.00 0.00 O ATOM 1256 CB ASP B 62 4.706 -2.659 32.196 1.00 0.00 C ATOM 1257 CG ASP B 62 3.675 -3.069 33.231 1.00 0.00 C ATOM 1258 OD1 ASP B 62 4.027 -3.844 34.146 1.00 0.00 O ATOM 1259 OD2 ASP B 62 2.517 -2.613 33.126 1.00 0.00 O ATOM 0 H ASP B 62 5.701 -2.231 29.751 1.00 0.00 H new ATOM 0 HA ASP B 62 4.996 -4.619 31.357 1.00 0.00 H new ATOM 0 HB2 ASP B 62 5.690 -2.621 32.663 1.00 0.00 H new ATOM 0 HB3 ASP B 62 4.482 -1.653 31.842 1.00 0.00 H new ATOM 1264 N SER B 63 3.272 -3.015 29.175 1.00 0.00 N ATOM 1265 CA SER B 63 2.020 -2.987 28.427 1.00 0.00 C ATOM 1266 C SER B 63 2.250 -3.358 26.966 1.00 0.00 C ATOM 1267 O SER B 63 3.369 -3.671 26.563 1.00 0.00 O ATOM 1268 CB SER B 63 1.380 -1.598 28.518 1.00 0.00 C ATOM 1269 OG SER B 63 1.096 -1.256 29.862 1.00 0.00 O ATOM 0 H SER B 63 4.035 -2.498 28.739 1.00 0.00 H new ATOM 0 HA SER B 63 1.346 -3.722 28.867 1.00 0.00 H new ATOM 0 HB2 SER B 63 2.050 -0.856 28.084 1.00 0.00 H new ATOM 0 HB3 SER B 63 0.461 -1.578 27.932 1.00 0.00 H new ATOM 0 HG SER B 63 0.690 -0.365 29.894 1.00 0.00 H new ATOM 1275 N GLY B 64 1.180 -3.319 26.177 1.00 0.00 N ATOM 1276 CA GLY B 64 1.286 -3.654 24.768 1.00 0.00 C ATOM 1277 C GLY B 64 1.572 -2.443 23.902 1.00 0.00 C ATOM 1278 O GLY B 64 0.720 -2.010 23.128 1.00 0.00 O ATOM 0 H GLY B 64 0.243 -3.062 26.488 1.00 0.00 H new ATOM 0 HA2 GLY B 64 2.079 -4.389 24.632 1.00 0.00 H new ATOM 0 HA3 GLY B 64 0.358 -4.121 24.438 1.00 0.00 H new ATOM 1282 N LEU B 65 2.776 -1.896 24.035 1.00 0.00 N ATOM 1283 CA LEU B 65 3.176 -0.726 23.259 1.00 0.00 C ATOM 1284 C LEU B 65 4.223 -1.098 22.215 1.00 0.00 C ATOM 1285 O LEU B 65 5.214 -1.760 22.524 1.00 0.00 O ATOM 1286 CB LEU B 65 3.730 0.359 24.187 1.00 0.00 C ATOM 1287 CG LEU B 65 2.781 0.808 25.301 1.00 0.00 C ATOM 1288 CD1 LEU B 65 3.474 1.804 26.219 1.00 0.00 C ATOM 1289 CD2 LEU B 65 1.515 1.414 24.715 1.00 0.00 C ATOM 0 H LEU B 65 3.492 -2.244 24.673 1.00 0.00 H new ATOM 0 HA LEU B 65 2.295 -0.343 22.744 1.00 0.00 H new ATOM 0 HB2 LEU B 65 4.650 -0.008 24.641 1.00 0.00 H new ATOM 0 HB3 LEU B 65 3.996 1.228 23.586 1.00 0.00 H new ATOM 0 HG LEU B 65 2.501 -0.067 25.888 1.00 0.00 H new ATOM 0 HD11 LEU B 65 2.786 2.114 27.006 1.00 0.00 H new ATOM 0 HD12 LEU B 65 4.351 1.337 26.667 1.00 0.00 H new ATOM 0 HD13 LEU B 65 3.782 2.676 25.643 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.854 1.727 25.523 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.775 2.278 24.103 1.00 0.00 H new ATOM 0 HD23 LEU B 65 1.008 0.672 24.098 1.00 0.00 H new ATOM 1301 N VAL B 66 3.997 -0.669 20.977 1.00 0.00 N ATOM 1302 CA VAL B 66 4.923 -0.959 19.889 1.00 0.00 C ATOM 1303 C VAL B 66 5.862 0.220 19.642 1.00 0.00 C ATOM 1304 O VAL B 66 6.930 0.064 19.050 1.00 0.00 O ATOM 1305 CB VAL B 66 4.170 -1.294 18.586 1.00 0.00 C ATOM 1306 CG1 VAL B 66 3.384 -0.087 18.094 1.00 0.00 C ATOM 1307 CG2 VAL B 66 5.134 -1.785 17.517 1.00 0.00 C ATOM 0 H VAL B 66 3.182 -0.120 20.703 1.00 0.00 H new ATOM 0 HA VAL B 66 5.509 -1.827 20.189 1.00 0.00 H new ATOM 0 HB VAL B 66 3.463 -2.096 18.797 1.00 0.00 H new ATOM 0 HG11 VAL B 66 2.860 -0.345 17.174 1.00 0.00 H new ATOM 0 HG12 VAL B 66 2.660 0.210 18.853 1.00 0.00 H new ATOM 0 HG13 VAL B 66 4.068 0.740 17.903 1.00 0.00 H new ATOM 0 HG21 VAL B 66 4.581 -2.015 16.606 1.00 0.00 H new ATOM 0 HG22 VAL B 66 5.871 -1.010 17.308 1.00 0.00 H new ATOM 0 HG23 VAL B 66 5.642 -2.682 17.870 1.00 0.00 H new ATOM 1317 N GLY B 67 5.455 1.397 20.107 1.00 0.00 N ATOM 1318 CA GLY B 67 6.268 2.587 19.929 1.00 0.00 C ATOM 1319 C GLY B 67 6.023 3.624 21.008 1.00 0.00 C ATOM 1320 O GLY B 67 6.821 3.766 21.934 1.00 0.00 O ATOM 0 H GLY B 67 4.577 1.548 20.604 1.00 0.00 H new ATOM 0 HA2 GLY B 67 7.321 2.307 19.931 1.00 0.00 H new ATOM 0 HA3 GLY B 67 6.056 3.025 18.954 1.00 0.00 H new ATOM 1324 N SER B 68 4.915 4.348 20.889 1.00 0.00 N ATOM 1325 CA SER B 68 4.564 5.377 21.861 1.00 0.00 C ATOM 1326 C SER B 68 3.097 5.269 22.264 1.00 0.00 C ATOM 1327 O SER B 68 2.576 6.123 22.980 1.00 0.00 O ATOM 1328 CB SER B 68 4.846 6.766 21.288 1.00 0.00 C ATOM 1329 OG SER B 68 6.202 6.895 20.899 1.00 0.00 O ATOM 0 H SER B 68 4.244 4.241 20.128 1.00 0.00 H new ATOM 0 HA SER B 68 5.177 5.226 22.749 1.00 0.00 H new ATOM 0 HB2 SER B 68 4.200 6.946 20.429 1.00 0.00 H new ATOM 0 HB3 SER B 68 4.605 7.525 22.032 1.00 0.00 H new ATOM 0 HG SER B 68 6.354 7.792 20.535 1.00 0.00 H new ATOM 1335 N GLY B 69 2.440 4.213 21.799 1.00 0.00 N ATOM 1336 CA GLY B 69 1.038 4.007 22.119 1.00 0.00 C ATOM 1337 C GLY B 69 0.319 3.188 21.069 1.00 0.00 C ATOM 1338 O GLY B 69 0.939 2.386 20.367 1.00 0.00 O ATOM 0 H GLY B 69 2.853 3.494 21.205 1.00 0.00 H new ATOM 0 HA2 GLY B 69 0.959 3.506 23.084 1.00 0.00 H new ATOM 0 HA3 GLY B 69 0.546 4.974 22.221 1.00 0.00 H new ATOM 1342 N GLY B 70 -0.991 3.384 20.958 1.00 0.00 N ATOM 1343 CA GLY B 70 -1.771 2.649 19.980 1.00 0.00 C ATOM 1344 C GLY B 70 -1.322 2.924 18.560 1.00 0.00 C ATOM 1345 O GLY B 70 -1.592 3.992 18.011 1.00 0.00 O ATOM 0 H GLY B 70 -1.526 4.039 21.528 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -1.691 1.581 20.183 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -2.823 2.915 20.084 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.631 1.956 17.961 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.139 2.100 16.595 1.00 0.00 C ATOM 1351 C GLU B 71 -0.291 0.798 15.817 1.00 0.00 C ATOM 1352 O GLU B 71 -0.203 -0.291 16.384 1.00 0.00 O ATOM 1353 CB GLU B 71 1.329 2.534 16.605 1.00 0.00 C ATOM 1354 CG GLU B 71 1.550 3.921 17.184 1.00 0.00 C ATOM 1355 CD GLU B 71 3.005 4.344 17.142 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.412 4.972 16.141 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.738 4.049 18.110 1.00 0.00 O ATOM 0 H GLU B 71 -0.400 1.065 18.401 1.00 0.00 H new ATOM 0 HA GLU B 71 -0.736 2.866 16.100 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.908 1.813 17.181 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.713 2.510 15.585 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.949 4.642 16.630 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.199 3.940 18.216 1.00 0.00 H new ATOM 1364 N SER B 72 -0.518 0.918 14.511 1.00 0.00 N ATOM 1365 CA SER B 72 -0.680 -0.249 13.651 1.00 0.00 C ATOM 1366 C SER B 72 0.670 -0.900 13.362 1.00 0.00 C ATOM 1367 O SER B 72 1.696 -0.483 13.897 1.00 0.00 O ATOM 1368 CB SER B 72 -1.360 0.148 12.341 1.00 0.00 C ATOM 1369 OG SER B 72 -0.591 1.109 11.637 1.00 0.00 O ATOM 0 H SER B 72 -0.594 1.812 14.026 1.00 0.00 H new ATOM 0 HA SER B 72 -1.308 -0.971 14.172 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.501 -0.736 11.719 1.00 0.00 H new ATOM 0 HB3 SER B 72 -2.350 0.553 12.550 1.00 0.00 H new ATOM 0 HG SER B 72 -1.047 1.345 10.802 1.00 0.00 H new ATOM 1375 N THR B 73 0.660 -1.925 12.514 1.00 0.00 N ATOM 1376 CA THR B 73 1.884 -2.631 12.158 1.00 0.00 C ATOM 1377 C THR B 73 1.770 -3.269 10.776 1.00 0.00 C ATOM 1378 O THR B 73 0.863 -4.057 10.516 1.00 0.00 O ATOM 1379 CB THR B 73 2.221 -3.724 13.188 1.00 0.00 C ATOM 1380 OG1 THR B 73 2.301 -3.152 14.500 1.00 0.00 O ATOM 1381 CG2 THR B 73 3.541 -4.403 12.847 1.00 0.00 C ATOM 0 H THR B 73 -0.181 -2.284 12.062 1.00 0.00 H new ATOM 0 HA THR B 73 2.684 -1.891 12.149 1.00 0.00 H new ATOM 0 HB THR B 73 1.428 -4.472 13.163 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.048 -3.557 14.988 1.00 0.00 H new ATOM 0 HG21 THR B 73 3.757 -5.171 13.589 1.00 0.00 H new ATOM 0 HG22 THR B 73 3.470 -4.861 11.860 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.341 -3.663 12.847 1.00 0.00 H new ATOM 1389 N TRP B 74 2.704 -2.919 9.894 1.00 0.00 N ATOM 1390 CA TRP B 74 2.719 -3.458 8.538 1.00 0.00 C ATOM 1391 C TRP B 74 4.125 -3.902 8.152 1.00 0.00 C ATOM 1392 O TRP B 74 5.092 -3.170 8.357 1.00 0.00 O ATOM 1393 CB TRP B 74 2.219 -2.410 7.541 1.00 0.00 C ATOM 1394 CG TRP B 74 0.859 -1.871 7.863 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.572 -0.693 8.486 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.401 -2.490 7.574 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.789 -0.538 8.601 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.408 -1.628 8.050 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.775 -3.688 6.959 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.762 -1.928 7.929 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.121 -3.984 6.841 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.100 -3.107 7.323 1.00 0.00 C ATOM 0 H TRP B 74 3.460 -2.264 10.095 1.00 0.00 H new ATOM 0 HA TRP B 74 2.056 -4.322 8.510 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.929 -1.584 7.510 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.199 -2.851 6.544 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.307 0.016 8.838 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.261 0.259 9.027 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.027 -4.370 6.583 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.519 -1.253 8.301 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.422 -4.908 6.369 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.143 -3.366 7.214 1.00 0.00 H new ATOM 1413 N ARG B 75 4.235 -5.104 7.594 1.00 0.00 N ATOM 1414 CA ARG B 75 5.531 -5.637 7.181 1.00 0.00 C ATOM 1415 C ARG B 75 5.444 -6.294 5.808 1.00 0.00 C ATOM 1416 O ARG B 75 4.516 -7.053 5.531 1.00 0.00 O ATOM 1417 CB ARG B 75 6.040 -6.649 8.206 1.00 0.00 C ATOM 1418 CG ARG B 75 7.416 -7.198 7.875 1.00 0.00 C ATOM 1419 CD ARG B 75 7.986 -7.999 9.033 1.00 0.00 C ATOM 1420 NE ARG B 75 7.161 -9.159 9.356 1.00 0.00 N ATOM 1421 CZ ARG B 75 7.463 -10.036 10.309 1.00 0.00 C ATOM 1422 NH1 ARG B 75 8.565 -9.884 11.030 1.00 0.00 N ATOM 1423 NH2 ARG B 75 6.661 -11.066 10.542 1.00 0.00 N ATOM 0 H ARG B 75 3.446 -5.726 7.418 1.00 0.00 H new ATOM 0 HA ARG B 75 6.230 -4.803 7.120 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.071 -6.177 9.188 1.00 0.00 H new ATOM 0 HB3 ARG B 75 5.333 -7.476 8.272 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.354 -7.830 6.989 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.089 -6.375 7.633 1.00 0.00 H new ATOM 0 HD2 ARG B 75 8.994 -8.330 8.783 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.069 -7.358 9.911 1.00 0.00 H new ATOM 0 HE ARG B 75 6.305 -9.305 8.821 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.184 -9.093 10.855 1.00 0.00 H new ATOM 0 HH12 ARG B 75 8.794 -10.558 11.760 1.00 0.00 H new ATOM 0 HH21 ARG B 75 5.812 -11.186 9.990 1.00 0.00 H new ATOM 0 HH22 ARG B 75 6.893 -11.738 11.273 1.00 0.00 H new ATOM 1437 N PHE B 76 6.415 -5.991 4.949 1.00 0.00 N ATOM 1438 CA PHE B 76 6.454 -6.555 3.603 1.00 0.00 C ATOM 1439 C PHE B 76 7.802 -6.288 2.934 1.00 0.00 C ATOM 1440 O PHE B 76 8.457 -5.283 3.210 1.00 0.00 O ATOM 1441 CB PHE B 76 5.329 -5.969 2.745 1.00 0.00 C ATOM 1442 CG PHE B 76 4.974 -4.547 3.077 1.00 0.00 C ATOM 1443 CD1 PHE B 76 5.778 -3.500 2.656 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.832 -4.261 3.806 1.00 0.00 C ATOM 1445 CE1 PHE B 76 5.448 -2.192 2.957 1.00 0.00 C ATOM 1446 CE2 PHE B 76 3.498 -2.955 4.112 1.00 0.00 C ATOM 1447 CZ PHE B 76 4.306 -1.920 3.685 1.00 0.00 C ATOM 0 H PHE B 76 7.186 -5.358 5.162 1.00 0.00 H new ATOM 0 HA PHE B 76 6.316 -7.633 3.690 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.622 -6.023 1.697 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.440 -6.589 2.859 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.672 -3.708 2.087 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.195 -5.067 4.139 1.00 0.00 H new ATOM 0 HE1 PHE B 76 6.082 -1.384 2.624 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.606 -2.745 4.684 1.00 0.00 H new ATOM 0 HZ PHE B 76 4.045 -0.899 3.920 1.00 0.00 H new ATOM 1457 N ARG B 77 8.206 -7.201 2.054 1.00 0.00 N ATOM 1458 CA ARG B 77 9.468 -7.077 1.332 1.00 0.00 C ATOM 1459 C ARG B 77 9.253 -7.263 -0.167 1.00 0.00 C ATOM 1460 O ARG B 77 8.432 -8.079 -0.591 1.00 0.00 O ATOM 1461 CB ARG B 77 10.475 -8.101 1.862 1.00 0.00 C ATOM 1462 CG ARG B 77 11.902 -7.835 1.420 1.00 0.00 C ATOM 1463 CD ARG B 77 12.199 -8.476 0.078 1.00 0.00 C ATOM 1464 NE ARG B 77 12.256 -9.933 0.171 1.00 0.00 N ATOM 1465 CZ ARG B 77 11.340 -10.743 -0.353 1.00 0.00 C ATOM 1466 NH1 ARG B 77 10.292 -10.242 -0.992 1.00 0.00 N ATOM 1467 NH2 ARG B 77 11.470 -12.057 -0.233 1.00 0.00 N ATOM 0 H ARG B 77 7.673 -8.040 1.823 1.00 0.00 H new ATOM 0 HA ARG B 77 9.866 -6.075 1.494 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.436 -8.106 2.951 1.00 0.00 H new ATOM 0 HB3 ARG B 77 10.179 -9.095 1.528 1.00 0.00 H new ATOM 0 HG2 ARG B 77 12.069 -6.760 1.355 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.594 -8.221 2.169 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.431 -8.188 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.148 -8.099 -0.302 1.00 0.00 H new ATOM 0 HE ARG B 77 13.043 -10.353 0.666 1.00 0.00 H new ATOM 0 HH11 ARG B 77 10.186 -9.232 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG B 77 9.592 -10.867 -1.392 1.00 0.00 H new ATOM 0 HH21 ARG B 77 12.272 -12.447 0.261 1.00 0.00 H new ATOM 0 HH22 ARG B 77 10.767 -12.678 -0.635 1.00 0.00 H new ATOM 1481 N VAL B 78 9.997 -6.501 -0.966 1.00 0.00 N ATOM 1482 CA VAL B 78 9.887 -6.570 -2.421 1.00 0.00 C ATOM 1483 C VAL B 78 10.277 -7.949 -2.948 1.00 0.00 C ATOM 1484 O VAL B 78 11.422 -8.377 -2.808 1.00 0.00 O ATOM 1485 CB VAL B 78 10.773 -5.508 -3.098 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.573 -5.520 -4.605 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.482 -4.128 -2.526 1.00 0.00 C ATOM 0 H VAL B 78 10.684 -5.827 -0.629 1.00 0.00 H new ATOM 0 HA VAL B 78 8.842 -6.378 -2.665 1.00 0.00 H new ATOM 0 HB VAL B 78 11.816 -5.751 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.209 -4.762 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.837 -6.501 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.529 -5.305 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.117 -3.390 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.435 -3.877 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.685 -4.128 -1.455 1.00 0.00 H new ATOM 1497 N ALA B 79 9.318 -8.635 -3.564 1.00 0.00 N ATOM 1498 CA ALA B 79 9.561 -9.966 -4.112 1.00 0.00 C ATOM 1499 C ALA B 79 9.937 -9.900 -5.588 1.00 0.00 C ATOM 1500 O ALA B 79 10.765 -10.677 -6.064 1.00 0.00 O ATOM 1501 CB ALA B 79 8.334 -10.845 -3.919 1.00 0.00 C ATOM 0 H ALA B 79 8.367 -8.292 -3.696 1.00 0.00 H new ATOM 0 HA ALA B 79 10.402 -10.403 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.527 -11.835 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.112 -10.932 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.482 -10.398 -4.432 1.00 0.00 H new ATOM 1507 N ALA B 80 9.324 -8.967 -6.312 1.00 0.00 N ATOM 1508 CA ALA B 80 9.594 -8.800 -7.736 1.00 0.00 C ATOM 1509 C ALA B 80 9.351 -7.362 -8.175 1.00 0.00 C ATOM 1510 O ALA B 80 8.848 -6.544 -7.405 1.00 0.00 O ATOM 1511 CB ALA B 80 8.736 -9.755 -8.551 1.00 0.00 C ATOM 0 H ALA B 80 8.636 -8.315 -5.935 1.00 0.00 H new ATOM 0 HA ALA B 80 10.644 -9.033 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.948 -9.619 -9.612 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.962 -10.782 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.682 -9.549 -8.362 1.00 0.00 H new ATOM 1517 N SER B 81 9.712 -7.058 -9.419 1.00 0.00 N ATOM 1518 CA SER B 81 9.537 -5.727 -9.958 1.00 0.00 C ATOM 1519 C SER B 81 8.080 -5.466 -10.304 1.00 0.00 C ATOM 1520 O SER B 81 7.197 -6.256 -9.975 1.00 0.00 O ATOM 1521 CB SER B 81 10.409 -5.551 -11.199 1.00 0.00 C ATOM 1522 OG SER B 81 9.821 -6.170 -12.330 1.00 0.00 O ATOM 0 H SER B 81 10.129 -7.724 -10.069 1.00 0.00 H new ATOM 0 HA SER B 81 9.840 -5.007 -9.198 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.555 -4.489 -11.397 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.395 -5.980 -11.018 1.00 0.00 H new ATOM 0 HG SER B 81 10.399 -6.041 -13.111 1.00 0.00 H new ATOM 1528 N GLY B 82 7.849 -4.353 -10.979 1.00 0.00 N ATOM 1529 CA GLY B 82 6.503 -3.977 -11.372 1.00 0.00 C ATOM 1530 C GLY B 82 6.115 -2.603 -10.872 1.00 0.00 C ATOM 1531 O GLY B 82 6.624 -2.138 -9.851 1.00 0.00 O ATOM 0 H GLY B 82 8.574 -3.696 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.426 -3.999 -12.459 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.797 -4.713 -10.987 1.00 0.00 H new ATOM 1535 N ASP B 83 5.211 -1.951 -11.591 1.00 0.00 N ATOM 1536 CA ASP B 83 4.751 -0.624 -11.223 1.00 0.00 C ATOM 1537 C ASP B 83 3.394 -0.688 -10.529 1.00 0.00 C ATOM 1538 O ASP B 83 2.383 -1.023 -11.148 1.00 0.00 O ATOM 1539 CB ASP B 83 4.659 0.257 -12.466 1.00 0.00 C ATOM 1540 CG ASP B 83 3.916 -0.416 -13.602 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.556 -1.158 -14.375 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.691 -0.200 -13.720 1.00 0.00 O ATOM 0 H ASP B 83 4.781 -2.325 -12.437 1.00 0.00 H new ATOM 0 HA ASP B 83 5.470 -0.194 -10.526 1.00 0.00 H new ATOM 0 HB2 ASP B 83 4.156 1.190 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.664 0.517 -12.798 1.00 0.00 H new ATOM 1547 N ASP B 84 3.380 -0.367 -9.240 1.00 0.00 N ATOM 1548 CA ASP B 84 2.148 -0.383 -8.462 1.00 0.00 C ATOM 1549 C ASP B 84 2.071 0.836 -7.553 1.00 0.00 C ATOM 1550 O ASP B 84 2.884 1.755 -7.661 1.00 0.00 O ATOM 1551 CB ASP B 84 2.059 -1.664 -7.632 1.00 0.00 C ATOM 1552 CG ASP B 84 1.799 -2.888 -8.486 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.684 -3.447 -8.400 1.00 0.00 O ATOM 1554 OD2 ASP B 84 2.705 -3.285 -9.246 1.00 0.00 O ATOM 0 H ASP B 84 4.209 -0.093 -8.712 1.00 0.00 H new ATOM 0 HA ASP B 84 1.307 -0.353 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP B 84 2.988 -1.801 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.262 -1.562 -6.896 1.00 0.00 H new ATOM 1559 N ARG B 85 1.088 0.842 -6.661 1.00 0.00 N ATOM 1560 CA ARG B 85 0.903 1.950 -5.740 1.00 0.00 C ATOM 1561 C ARG B 85 0.264 1.473 -4.442 1.00 0.00 C ATOM 1562 O ARG B 85 -0.504 0.511 -4.433 1.00 0.00 O ATOM 1563 CB ARG B 85 0.036 3.028 -6.390 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.297 4.177 -5.457 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.202 5.196 -6.130 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.569 5.804 -7.297 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.164 6.710 -8.070 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.401 7.108 -7.800 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.522 7.215 -9.113 1.00 0.00 N ATOM 0 H ARG B 85 0.407 0.090 -6.558 1.00 0.00 H new ATOM 0 HA ARG B 85 1.880 2.371 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.552 3.419 -7.267 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.891 2.575 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.785 3.791 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.623 4.663 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -2.131 4.712 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.466 5.974 -5.414 1.00 0.00 H new ATOM 0 HE ARG B 85 0.381 5.519 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.898 6.720 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.854 7.802 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.428 6.910 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.978 7.909 -9.705 1.00 0.00 H new ATOM 1583 N LEU B 86 0.586 2.150 -3.347 1.00 0.00 N ATOM 1584 CA LEU B 86 0.042 1.798 -2.043 1.00 0.00 C ATOM 1585 C LEU B 86 -1.164 2.674 -1.717 1.00 0.00 C ATOM 1586 O LEU B 86 -1.201 3.851 -2.077 1.00 0.00 O ATOM 1587 CB LEU B 86 1.118 1.949 -0.966 1.00 0.00 C ATOM 1588 CG LEU B 86 0.975 1.002 0.230 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.192 -0.440 -0.204 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.952 1.381 1.331 1.00 0.00 C ATOM 0 H LEU B 86 1.222 2.947 -3.337 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.284 0.758 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.094 1.787 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.104 2.976 -0.601 1.00 0.00 H new ATOM 0 HG LEU B 86 -0.037 1.095 0.623 1.00 0.00 H new ATOM 0 HD11 LEU B 86 1.087 -1.099 0.658 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.452 -0.708 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.193 -0.547 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.836 0.697 2.172 1.00 0.00 H new ATOM 0 HD22 LEU B 86 2.971 1.318 0.950 1.00 0.00 H new ATOM 0 HD23 LEU B 86 1.751 2.400 1.661 1.00 0.00 H new ATOM 1602 N GLU B 87 -2.151 2.097 -1.034 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.360 2.831 -0.681 1.00 0.00 C ATOM 1604 C GLU B 87 -3.860 2.461 0.713 1.00 0.00 C ATOM 1605 O GLU B 87 -4.348 1.354 0.935 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.457 2.562 -1.711 1.00 0.00 C ATOM 1607 CG GLU B 87 -4.301 3.367 -2.991 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.735 4.809 -2.830 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.772 5.048 -2.179 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.041 5.699 -3.362 1.00 0.00 O ATOM 0 H GLU B 87 -2.136 1.128 -0.716 1.00 0.00 H new ATOM 0 HA GLU B 87 -3.112 3.892 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.460 1.500 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.426 2.788 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.259 3.339 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -4.888 2.901 -3.782 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.733 3.398 1.648 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.184 3.187 3.021 1.00 0.00 C ATOM 1619 C LEU B 88 -5.224 4.232 3.403 1.00 0.00 C ATOM 1620 O LEU B 88 -5.277 5.308 2.808 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.004 3.253 3.997 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.018 2.088 3.915 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.122 2.227 2.695 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.184 2.004 5.185 1.00 0.00 C ATOM 0 H LEU B 88 -3.320 4.315 1.479 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.633 2.196 3.081 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.460 4.180 3.820 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.397 3.303 5.012 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.588 1.164 3.816 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.428 1.388 2.656 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.734 2.234 1.793 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.561 3.159 2.760 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.488 1.169 5.109 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.626 2.931 5.316 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.840 1.852 6.042 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.052 3.916 4.394 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.082 4.845 4.847 1.00 0.00 C ATOM 1638 C VAL B 89 -7.267 4.770 6.361 1.00 0.00 C ATOM 1639 O VAL B 89 -6.710 3.890 7.021 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.438 4.581 4.155 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.279 4.592 2.643 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.043 3.269 4.627 1.00 0.00 C ATOM 0 H VAL B 89 -6.031 3.029 4.897 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.741 5.844 4.575 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.122 5.383 4.431 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.245 4.404 2.174 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.904 5.564 2.324 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.574 3.815 2.346 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.997 3.107 4.125 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.364 2.449 4.390 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.202 3.309 5.705 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.058 5.691 6.902 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.306 5.743 8.341 1.00 0.00 C ATOM 1654 C TYR B 90 -9.776 5.489 8.662 1.00 0.00 C ATOM 1655 O TYR B 90 -10.602 6.398 8.593 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.875 7.107 8.881 1.00 0.00 C ATOM 1657 CG TYR B 90 -8.083 7.288 10.370 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.882 8.315 10.856 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.476 6.438 11.285 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -9.069 8.490 12.213 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.660 6.607 12.644 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.457 7.633 13.102 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.642 7.805 14.457 1.00 0.00 O ATOM 0 H TYR B 90 -8.539 6.413 6.366 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.723 4.957 8.821 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.819 7.256 8.654 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.428 7.884 8.353 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.365 8.987 10.162 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.851 5.633 10.929 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.692 9.294 12.576 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.181 5.938 13.344 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.143 7.117 14.945 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.093 4.246 9.015 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.459 3.868 9.353 1.00 0.00 C ATOM 1675 C ARG B 91 -11.495 2.491 10.008 1.00 0.00 C ATOM 1676 O ARG B 91 -10.503 1.761 9.994 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.344 3.875 8.103 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.828 2.987 6.984 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.804 2.940 5.818 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.273 2.183 4.689 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.008 1.370 3.935 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.296 1.199 4.199 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.455 0.726 2.917 1.00 0.00 N ATOM 0 H ARG B 91 -9.419 3.483 9.074 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.844 4.600 10.062 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.348 3.552 8.378 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.428 4.897 7.734 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.863 3.358 6.638 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.664 1.979 7.364 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.741 2.490 6.147 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -13.034 3.956 5.497 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.283 2.283 4.465 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.726 1.691 4.982 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.857 0.575 3.619 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.464 0.853 2.711 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.020 0.103 2.340 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.642 2.142 10.586 1.00 0.00 N ATOM 1698 CA ARG B 92 -12.800 0.851 11.246 1.00 0.00 C ATOM 1699 C ARG B 92 -12.587 -0.293 10.252 1.00 0.00 C ATOM 1700 O ARG B 92 -13.272 -0.369 9.231 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.187 0.748 11.883 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.560 1.955 12.732 1.00 0.00 C ATOM 1703 CD ARG B 92 -15.826 1.705 13.537 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.335 2.924 14.156 1.00 0.00 N ATOM 1705 CZ ARG B 92 -16.846 2.970 15.383 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -16.909 1.870 16.121 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.294 4.119 15.873 1.00 0.00 N ATOM 0 H ARG B 92 -13.472 2.734 10.610 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.047 0.771 12.030 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -14.931 0.625 11.096 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.227 -0.148 12.503 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.739 2.192 13.409 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.703 2.823 12.088 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.591 1.283 12.886 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -15.622 0.964 14.310 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.297 3.789 13.618 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -16.565 0.985 15.748 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -17.301 1.909 17.062 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.247 4.967 15.309 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -17.686 4.154 16.814 1.00 0.00 H new ATOM 1721 N PRO B 93 -11.631 -1.201 10.537 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.322 -2.334 9.652 1.00 0.00 C ATOM 1723 C PRO B 93 -12.495 -3.291 9.464 1.00 0.00 C ATOM 1724 O PRO B 93 -12.601 -3.955 8.431 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.166 -3.048 10.367 1.00 0.00 C ATOM 1726 CG PRO B 93 -9.608 -2.038 11.309 1.00 0.00 C ATOM 1727 CD PRO B 93 -10.775 -1.198 11.734 1.00 0.00 C ATOM 0 HA PRO B 93 -11.081 -1.991 8.646 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.518 -3.932 10.900 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -9.411 -3.384 9.657 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -9.138 -2.519 12.167 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -8.843 -1.431 10.825 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -11.286 -1.623 12.598 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -10.468 -0.189 12.010 1.00 0.00 H new ATOM 1735 N TRP B 94 -13.374 -3.368 10.458 1.00 0.00 N ATOM 1736 CA TRP B 94 -14.527 -4.262 10.385 1.00 0.00 C ATOM 1737 C TRP B 94 -15.664 -3.651 9.570 1.00 0.00 C ATOM 1738 O TRP B 94 -16.815 -4.074 9.682 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.018 -4.621 11.788 1.00 0.00 C ATOM 1740 CG TRP B 94 -15.322 -3.433 12.645 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.422 -2.627 12.573 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -14.516 -2.917 13.711 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -16.350 -1.642 13.526 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -15.189 -1.798 14.237 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -13.293 -3.292 14.271 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -14.676 -1.051 15.294 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -12.785 -2.551 15.321 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -13.477 -1.442 15.824 1.00 0.00 C ATOM 0 H TRP B 94 -13.312 -2.826 11.320 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.204 -5.171 9.878 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -15.915 -5.235 11.703 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.261 -5.230 12.283 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -17.231 -2.747 11.868 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -17.047 -0.913 13.680 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -12.753 -4.146 13.890 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -15.206 -0.193 15.682 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -11.839 -2.831 15.761 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -13.055 -0.884 16.647 1.00 0.00 H new ATOM 1759 N GLU B 95 -15.339 -2.659 8.745 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.339 -2.006 7.906 1.00 0.00 C ATOM 1761 C GLU B 95 -16.096 -2.314 6.433 1.00 0.00 C ATOM 1762 O GLU B 95 -15.005 -2.081 5.911 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.326 -0.492 8.130 1.00 0.00 C ATOM 1764 CG GLU B 95 -16.819 -0.075 9.501 1.00 0.00 C ATOM 1765 CD GLU B 95 -16.996 1.427 9.626 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -18.152 1.896 9.555 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -15.980 2.133 9.794 1.00 0.00 O ATOM 0 H GLU B 95 -14.394 -2.291 8.640 1.00 0.00 H new ATOM 0 HA GLU B 95 -17.317 -2.396 8.187 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.310 -0.122 7.991 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -16.946 -0.016 7.370 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.770 -0.567 9.706 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.112 -0.418 10.257 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.121 -2.839 5.768 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.020 -3.182 4.354 1.00 0.00 C ATOM 1776 C LYS B 96 -16.753 -1.940 3.509 1.00 0.00 C ATOM 1777 O LYS B 96 -15.824 -1.917 2.703 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.306 -3.866 3.881 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.614 -5.163 4.616 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.552 -6.223 4.365 1.00 0.00 C ATOM 1781 CE LYS B 96 -17.531 -6.663 2.910 1.00 0.00 C ATOM 1782 NZ LYS B 96 -18.841 -7.227 2.479 1.00 0.00 N ATOM 0 H LYS B 96 -18.030 -3.036 6.186 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.183 -3.869 4.232 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.142 -3.178 4.010 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.226 -4.073 2.814 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.685 -4.966 5.686 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.586 -5.540 4.296 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.573 -5.830 4.641 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.741 -7.086 5.004 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.277 -5.812 2.278 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -16.750 -7.410 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -18.717 -7.755 1.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -19.202 -7.867 3.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -19.520 -6.453 2.329 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.574 -0.912 3.701 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.423 0.333 2.954 1.00 0.00 C ATOM 1798 C ASP B 97 -17.946 1.518 3.759 1.00 0.00 C ATOM 1799 O ASP B 97 -19.149 1.652 3.978 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.166 0.243 1.619 1.00 0.00 C ATOM 1801 CG ASP B 97 -18.052 1.520 0.809 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.092 1.639 0.019 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.924 2.400 0.964 1.00 0.00 O ATOM 0 H ASP B 97 -18.348 -0.916 4.365 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.361 0.487 2.763 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -17.767 -0.589 1.039 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -19.218 0.026 1.805 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.030 2.377 4.198 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.393 3.552 4.974 1.00 0.00 C ATOM 1810 C ALA B 98 -16.590 4.767 4.523 1.00 0.00 C ATOM 1811 O ALA B 98 -15.811 4.688 3.573 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.177 3.295 6.457 1.00 0.00 C ATOM 0 H ALA B 98 -16.029 2.278 4.027 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.450 3.759 4.806 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.453 4.184 7.024 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -17.795 2.455 6.775 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.128 3.061 6.637 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.787 5.890 5.204 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.075 7.118 4.869 1.00 0.00 C ATOM 1820 C GLU B 99 -14.954 7.394 5.867 1.00 0.00 C ATOM 1821 O GLU B 99 -15.195 7.913 6.956 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.043 8.300 4.827 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.811 8.400 3.524 1.00 0.00 C ATOM 1824 CD GLU B 99 -18.636 9.667 3.427 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.804 9.652 3.869 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -18.114 10.677 2.909 1.00 0.00 O ATOM 0 H GLU B 99 -17.432 5.976 5.989 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.629 6.989 3.883 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.750 8.211 5.652 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.485 9.223 4.984 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -17.110 8.363 2.690 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.468 7.535 3.427 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.707 7.043 5.503 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.543 7.258 6.369 1.00 0.00 C ATOM 1835 C PRO B 100 -12.192 8.735 6.508 1.00 0.00 C ATOM 1836 O PRO B 100 -12.127 9.462 5.516 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.421 6.502 5.655 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.831 6.476 4.223 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.335 6.410 4.223 1.00 0.00 C ATOM 0 HA PRO B 100 -12.722 6.912 7.387 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.462 7.004 5.783 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.308 5.493 6.053 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.480 7.366 3.700 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.403 5.615 3.710 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.760 6.943 3.373 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.692 5.382 4.165 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.971 9.172 7.744 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.632 10.565 8.014 1.00 0.00 C ATOM 1849 C ALA B 101 -10.354 10.975 7.292 1.00 0.00 C ATOM 1850 O ALA B 101 -10.308 12.012 6.630 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.488 10.791 9.512 1.00 0.00 C ATOM 0 H ALA B 101 -12.021 8.582 8.574 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.444 11.187 7.637 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.235 11.834 9.700 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.428 10.551 10.008 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.698 10.150 9.902 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.323 10.153 7.423 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.042 10.422 6.785 1.00 0.00 C ATOM 1859 C GLU B 102 -7.845 9.543 5.560 1.00 0.00 C ATOM 1860 O GLU B 102 -8.765 8.856 5.115 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.892 10.193 7.769 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.597 11.391 8.650 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.514 11.111 9.673 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -5.854 10.668 10.791 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -4.326 11.332 9.356 1.00 0.00 O ATOM 0 H GLU B 102 -9.349 9.291 7.968 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.043 11.466 6.470 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.131 9.338 8.401 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.993 9.934 7.210 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -6.293 12.231 8.025 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.509 11.692 9.165 1.00 0.00 H new ATOM 1872 N SER B 103 -6.634 9.574 5.022 1.00 0.00 N ATOM 1873 CA SER B 103 -6.290 8.782 3.847 1.00 0.00 C ATOM 1874 C SER B 103 -4.781 8.776 3.626 1.00 0.00 C ATOM 1875 O SER B 103 -4.067 9.632 4.147 1.00 0.00 O ATOM 1876 CB SER B 103 -6.998 9.332 2.607 1.00 0.00 C ATOM 1877 OG SER B 103 -6.624 10.675 2.357 1.00 0.00 O ATOM 0 H SER B 103 -5.868 10.143 5.383 1.00 0.00 H new ATOM 0 HA SER B 103 -6.621 7.758 4.017 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.752 8.716 1.742 1.00 0.00 H new ATOM 0 HB3 SER B 103 -8.078 9.272 2.745 1.00 0.00 H new ATOM 0 HG SER B 103 -7.089 11.001 1.559 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.303 7.807 2.855 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.876 7.692 2.578 1.00 0.00 C ATOM 1885 C PHE B 104 -2.619 6.952 1.268 1.00 0.00 C ATOM 1886 O PHE B 104 -3.445 6.159 0.817 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.174 6.974 3.734 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.679 6.941 3.612 1.00 0.00 C ATOM 1889 CD1 PHE B 104 -0.038 5.835 3.080 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.086 8.018 4.032 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.337 5.802 2.968 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.462 7.991 3.923 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.090 6.881 3.389 1.00 0.00 C ATOM 0 H PHE B 104 -4.880 7.092 2.412 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.471 8.699 2.478 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.441 7.465 4.670 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.546 5.951 3.793 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.621 4.988 2.749 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.400 8.888 4.449 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.824 4.933 2.551 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.047 8.836 4.254 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.166 6.858 3.301 1.00 0.00 H new ATOM 1903 N SER B 105 -1.463 7.222 0.663 1.00 0.00 N ATOM 1904 CA SER B 105 -1.077 6.584 -0.592 1.00 0.00 C ATOM 1905 C SER B 105 0.395 6.840 -0.890 1.00 0.00 C ATOM 1906 O SER B 105 0.902 7.938 -0.653 1.00 0.00 O ATOM 1907 CB SER B 105 -1.942 7.101 -1.745 1.00 0.00 C ATOM 1908 OG SER B 105 -1.463 6.629 -2.992 1.00 0.00 O ATOM 0 H SER B 105 -0.775 7.882 1.025 1.00 0.00 H new ATOM 0 HA SER B 105 -1.233 5.510 -0.491 1.00 0.00 H new ATOM 0 HB2 SER B 105 -2.974 6.779 -1.603 1.00 0.00 H new ATOM 0 HB3 SER B 105 -1.945 8.191 -1.742 1.00 0.00 H new ATOM 0 HG SER B 105 -2.171 6.125 -3.445 1.00 0.00 H new ATOM 1914 N CYS B 106 1.083 5.827 -1.409 1.00 0.00 N ATOM 1915 CA CYS B 106 2.502 5.954 -1.724 1.00 0.00 C ATOM 1916 C CYS B 106 2.867 5.166 -2.981 1.00 0.00 C ATOM 1917 O CYS B 106 2.807 3.937 -2.991 1.00 0.00 O ATOM 1918 CB CYS B 106 3.341 5.467 -0.541 1.00 0.00 C ATOM 1919 SG CYS B 106 5.112 5.873 -0.661 1.00 0.00 S ATOM 0 H CYS B 106 0.683 4.913 -1.620 1.00 0.00 H new ATOM 0 HA CYS B 106 2.714 7.006 -1.914 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.942 5.901 0.376 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.233 4.386 -0.455 1.00 0.00 H new ATOM 1924 N ALA B 107 3.246 5.882 -4.037 1.00 0.00 N ATOM 1925 CA ALA B 107 3.629 5.247 -5.295 1.00 0.00 C ATOM 1926 C ALA B 107 4.860 4.370 -5.100 1.00 0.00 C ATOM 1927 O ALA B 107 5.832 4.785 -4.467 1.00 0.00 O ATOM 1928 CB ALA B 107 3.892 6.301 -6.361 1.00 0.00 C ATOM 0 H ALA B 107 3.296 6.901 -4.046 1.00 0.00 H new ATOM 0 HA ALA B 107 2.806 4.614 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.176 5.813 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.989 6.890 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.699 6.956 -6.034 1.00 0.00 H new ATOM 1934 N ILE B 108 4.817 3.158 -5.645 1.00 0.00 N ATOM 1935 CA ILE B 108 5.929 2.223 -5.509 1.00 0.00 C ATOM 1936 C ILE B 108 6.212 1.490 -6.815 1.00 0.00 C ATOM 1937 O ILE B 108 5.375 0.733 -7.307 1.00 0.00 O ATOM 1938 CB ILE B 108 5.645 1.184 -4.409 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.270 1.889 -3.104 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.852 0.281 -4.205 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.508 1.011 -2.135 1.00 0.00 C ATOM 0 H ILE B 108 4.027 2.801 -6.183 1.00 0.00 H new ATOM 0 HA ILE B 108 6.803 2.815 -5.238 1.00 0.00 H new ATOM 0 HB ILE B 108 4.805 0.563 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.179 2.245 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.667 2.767 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.634 -0.447 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.077 -0.241 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.711 0.883 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.277 1.579 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.581 0.675 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.116 0.146 -1.872 1.00 0.00 H new ATOM 1953 N GLN B 109 7.398 1.715 -7.368 1.00 0.00 N ATOM 1954 CA GLN B 109 7.797 1.056 -8.608 1.00 0.00 C ATOM 1955 C GLN B 109 9.103 0.290 -8.417 1.00 0.00 C ATOM 1956 O GLN B 109 10.032 0.778 -7.775 1.00 0.00 O ATOM 1957 CB GLN B 109 7.942 2.075 -9.741 1.00 0.00 C ATOM 1958 CG GLN B 109 6.620 2.683 -10.184 1.00 0.00 C ATOM 1959 CD GLN B 109 6.772 3.608 -11.376 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.665 3.429 -12.205 1.00 0.00 O ATOM 1961 NE2 GLN B 109 5.896 4.600 -11.470 1.00 0.00 N ATOM 0 H GLN B 109 8.099 2.346 -6.980 1.00 0.00 H new ATOM 0 HA GLN B 109 7.015 0.346 -8.879 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.610 2.874 -9.417 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.415 1.591 -10.596 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.923 1.883 -10.436 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.183 3.237 -9.353 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.172 4.710 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.946 5.252 -12.253 1.00 0.00 H new ATOM 1970 N VAL B 110 9.165 -0.918 -8.973 1.00 0.00 N ATOM 1971 CA VAL B 110 10.357 -1.753 -8.855 1.00 0.00 C ATOM 1972 C VAL B 110 10.821 -2.247 -10.220 1.00 0.00 C ATOM 1973 O VAL B 110 10.034 -2.327 -11.163 1.00 0.00 O ATOM 1974 CB VAL B 110 10.099 -2.972 -7.950 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.396 -3.708 -7.651 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.416 -2.548 -6.663 1.00 0.00 C ATOM 0 H VAL B 110 8.406 -1.339 -9.508 1.00 0.00 H new ATOM 0 HA VAL B 110 11.134 -1.131 -8.410 1.00 0.00 H new ATOM 0 HB VAL B 110 9.436 -3.655 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.189 -4.565 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.843 -4.052 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.088 -3.035 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.243 -3.424 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL B 110 10.052 -1.841 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.463 -2.074 -6.896 1.00 0.00 H new ATOM 1986 N ARG B 111 12.103 -2.578 -10.314 1.00 0.00 N ATOM 1987 CA ARG B 111 12.681 -3.073 -11.555 1.00 0.00 C ATOM 1988 C ARG B 111 13.825 -4.045 -11.277 1.00 0.00 C ATOM 1989 O ARG B 111 14.974 -3.579 -11.134 1.00 0.00 O ATOM 1990 CB ARG B 111 13.180 -1.913 -12.410 1.00 0.00 C ATOM 1991 CG ARG B 111 12.071 -1.123 -13.064 1.00 0.00 C ATOM 1992 CD ARG B 111 11.401 -1.943 -14.139 1.00 0.00 C ATOM 1993 NE ARG B 111 10.304 -1.225 -14.784 1.00 0.00 N ATOM 1994 CZ ARG B 111 9.645 -1.685 -15.843 1.00 0.00 C ATOM 1995 NH1 ARG B 111 9.966 -2.856 -16.373 1.00 0.00 N ATOM 1996 NH2 ARG B 111 8.659 -0.970 -16.372 1.00 0.00 N ATOM 1997 OXT ARG B 111 13.559 -5.263 -11.204 1.00 0.00 O ATOM 0 H ARG B 111 12.764 -2.512 -9.540 1.00 0.00 H new ATOM 0 HA ARG B 111 11.901 -3.606 -12.099 1.00 0.00 H new ATOM 0 HB2 ARG B 111 13.774 -1.243 -11.788 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.843 -2.301 -13.183 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.337 -0.826 -12.315 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.475 -0.207 -13.496 1.00 0.00 H new ATOM 0 HD2 ARG B 111 12.139 -2.225 -14.890 1.00 0.00 H new ATOM 0 HD3 ARG B 111 11.021 -2.867 -13.704 1.00 0.00 H new ATOM 0 HE ARG B 111 10.029 -0.321 -14.401 1.00 0.00 H new ATOM 0 HH11 ARG B 111 10.722 -3.409 -15.969 1.00 0.00 H new ATOM 0 HH12 ARG B 111 9.457 -3.205 -17.186 1.00 0.00 H new ATOM 0 HH21 ARG B 111 8.408 -0.069 -15.966 1.00 0.00 H new ATOM 0 HH22 ARG B 111 8.153 -1.322 -17.185 1.00 0.00 H new TER 2011 ARG B 111