USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 176:sc= 1.11 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= -1.6! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0373 (180deg=-0.272) USER MOD Single : A 5 GLN : amide:sc= -3.49! K(o=-3.5!,f=-2.8) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0482 (180deg=-0.365) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 21 SER OG : rot -110:sc= -0.577 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0832) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= -0.0128 (180deg=-0.275) USER MOD Single : A 25 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.84) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 30 MET CE :methyl 173:sc= -0.0204 (180deg=-0.0242) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.963 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0722 (180deg=-0.493) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -149:sc= 0.0235 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 52 MET CE :methyl -119:sc= -0.0732 (180deg=-0.263) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -110:sc= -0.0541 USER MOD Single : A 67 LYS NZ :NH3+ -124:sc= -0.48 (180deg=-1.77!) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0228) USER MOD Single : A 72 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.5!) USER MOD Single : A 76 THR OG1 : rot 140:sc= -1.29 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.34) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 160:sc= 0.0713 USER MOD Single : A 104 ASN : amide:sc= -1.16! C(o=-1.2!,f=-4.3!) USER MOD Single : A 109 SER OG : rot -31:sc= 1.49 USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.013 (180deg=-0.232) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.130 4.710 7.803 1.00 0.00 N ATOM 2 CA MET A 1 12.760 3.296 8.096 1.00 0.00 C ATOM 3 C MET A 1 11.235 3.154 8.133 1.00 0.00 C ATOM 4 O MET A 1 10.514 4.115 8.319 1.00 0.00 O ATOM 5 CB MET A 1 13.341 2.884 9.449 1.00 0.00 C ATOM 6 CG MET A 1 14.864 2.790 9.343 1.00 0.00 C ATOM 7 SD MET A 1 15.548 2.287 10.941 1.00 0.00 S ATOM 8 CE MET A 1 17.289 2.572 10.539 1.00 0.00 C ATOM 0 H1 MET A 1 13.729 4.743 6.954 1.00 0.00 H new ATOM 0 H2 MET A 1 12.268 5.268 7.640 1.00 0.00 H new ATOM 0 H3 MET A 1 13.652 5.107 8.610 1.00 0.00 H new ATOM 0 HA MET A 1 13.163 2.652 7.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.063 3.611 10.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.927 1.924 9.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.142 2.070 8.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.279 3.753 9.044 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.907 2.321 11.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.574 1.946 9.693 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.436 3.621 10.280 1.00 0.00 H new ATOM 20 N ALA A 2 10.744 1.953 7.959 1.00 0.00 N ATOM 21 CA ALA A 2 9.267 1.730 7.984 1.00 0.00 C ATOM 22 C ALA A 2 8.563 2.811 7.161 1.00 0.00 C ATOM 23 O ALA A 2 8.181 3.845 7.676 1.00 0.00 O ATOM 24 CB ALA A 2 8.763 1.784 9.427 1.00 0.00 C ATOM 0 H ALA A 2 11.304 1.115 7.800 1.00 0.00 H new ATOM 0 HA ALA A 2 9.048 0.751 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.685 1.621 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.256 1.009 10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.988 2.761 9.855 1.00 0.00 H new ATOM 30 N GLU A 3 8.380 2.580 5.887 1.00 0.00 N ATOM 31 CA GLU A 3 7.695 3.590 5.030 1.00 0.00 C ATOM 32 C GLU A 3 7.060 2.889 3.829 1.00 0.00 C ATOM 33 O GLU A 3 7.411 1.773 3.498 1.00 0.00 O ATOM 34 CB GLU A 3 8.709 4.631 4.545 1.00 0.00 C ATOM 35 CG GLU A 3 9.801 3.949 3.716 1.00 0.00 C ATOM 36 CD GLU A 3 10.829 4.996 3.286 1.00 0.00 C ATOM 37 OE1 GLU A 3 10.434 6.130 3.075 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.992 4.645 3.180 1.00 0.00 O ATOM 0 H GLU A 3 8.677 1.733 5.403 1.00 0.00 H new ATOM 0 HA GLU A 3 6.920 4.091 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.206 5.390 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.154 5.143 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.284 3.166 4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.364 3.469 2.840 1.00 0.00 H new ATOM 45 N ILE A 4 6.127 3.537 3.177 1.00 0.00 N ATOM 46 CA ILE A 4 5.452 2.918 1.990 1.00 0.00 C ATOM 47 C ILE A 4 5.821 3.699 0.727 1.00 0.00 C ATOM 48 O ILE A 4 5.676 4.902 0.666 1.00 0.00 O ATOM 49 CB ILE A 4 3.939 2.983 2.191 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.565 2.173 3.436 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.237 2.404 0.962 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.100 2.422 3.797 1.00 0.00 C ATOM 0 H ILE A 4 5.801 4.473 3.416 1.00 0.00 H new ATOM 0 HA ILE A 4 5.773 1.882 1.885 1.00 0.00 H new ATOM 0 HB ILE A 4 3.626 4.019 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.728 1.111 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.207 2.455 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.157 2.450 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.512 2.982 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.541 1.366 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.840 1.843 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.950 3.483 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.464 2.118 2.966 1.00 0.00 H new ATOM 64 N GLN A 5 6.287 3.022 -0.290 1.00 0.00 N ATOM 65 CA GLN A 5 6.650 3.733 -1.551 1.00 0.00 C ATOM 66 C GLN A 5 6.546 2.766 -2.727 1.00 0.00 C ATOM 67 O GLN A 5 6.660 1.566 -2.572 1.00 0.00 O ATOM 68 CB GLN A 5 8.079 4.271 -1.454 1.00 0.00 C ATOM 69 CG GLN A 5 9.038 3.133 -1.111 1.00 0.00 C ATOM 70 CD GLN A 5 10.447 3.696 -0.910 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.231 3.152 -0.158 1.00 0.00 O ATOM 72 NE2 GLN A 5 10.804 4.773 -1.556 1.00 0.00 N ATOM 0 H GLN A 5 6.431 2.012 -0.302 1.00 0.00 H new ATOM 0 HA GLN A 5 5.965 4.567 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.369 4.731 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.134 5.048 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.706 2.624 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.041 2.392 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.146 5.230 -2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.740 5.157 -1.429 1.00 0.00 H new ATOM 81 N PHE A 6 6.331 3.280 -3.905 1.00 0.00 N ATOM 82 CA PHE A 6 6.222 2.394 -5.096 1.00 0.00 C ATOM 83 C PHE A 6 7.621 2.130 -5.653 1.00 0.00 C ATOM 84 O PHE A 6 7.802 1.359 -6.573 1.00 0.00 O ATOM 85 CB PHE A 6 5.358 3.076 -6.158 1.00 0.00 C ATOM 86 CG PHE A 6 3.930 3.145 -5.670 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.070 2.057 -5.872 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.464 4.293 -5.017 1.00 0.00 C ATOM 89 CE1 PHE A 6 1.746 2.120 -5.423 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.141 4.354 -4.567 1.00 0.00 C ATOM 91 CZ PHE A 6 1.281 3.268 -4.770 1.00 0.00 C ATOM 0 H PHE A 6 6.226 4.277 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 6 5.761 1.448 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.734 4.079 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.408 2.522 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.429 1.171 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.126 5.132 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.082 1.283 -5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.783 5.239 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.259 3.316 -4.423 1.00 0.00 H new ATOM 101 N SER A 7 8.614 2.762 -5.088 1.00 0.00 N ATOM 102 CA SER A 7 10.009 2.549 -5.568 1.00 0.00 C ATOM 103 C SER A 7 10.990 3.157 -4.559 1.00 0.00 C ATOM 104 O SER A 7 10.701 4.144 -3.912 1.00 0.00 O ATOM 105 CB SER A 7 10.192 3.214 -6.931 1.00 0.00 C ATOM 106 OG SER A 7 11.537 3.046 -7.355 1.00 0.00 O ATOM 0 H SER A 7 8.519 3.418 -4.313 1.00 0.00 H new ATOM 0 HA SER A 7 10.202 1.481 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.511 2.773 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.948 4.274 -6.868 1.00 0.00 H new ATOM 0 HG SER A 7 11.659 3.470 -8.230 1.00 0.00 H new ATOM 112 N LYS A 8 12.141 2.564 -4.413 1.00 0.00 N ATOM 113 CA LYS A 8 13.142 3.086 -3.438 1.00 0.00 C ATOM 114 C LYS A 8 13.631 4.473 -3.863 1.00 0.00 C ATOM 115 O LYS A 8 13.878 4.731 -5.024 1.00 0.00 O ATOM 116 CB LYS A 8 14.326 2.123 -3.373 1.00 0.00 C ATOM 117 CG LYS A 8 13.884 0.837 -2.679 1.00 0.00 C ATOM 118 CD LYS A 8 15.054 -0.142 -2.625 1.00 0.00 C ATOM 119 CE LYS A 8 14.641 -1.384 -1.835 1.00 0.00 C ATOM 120 NZ LYS A 8 13.528 -2.076 -2.542 1.00 0.00 N ATOM 0 H LYS A 8 12.435 1.735 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 8 12.674 3.168 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.688 1.903 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.153 2.579 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.534 1.058 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.047 0.391 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.354 -0.423 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.917 0.331 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.491 -2.058 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.327 -1.101 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.428 -3.042 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.642 -1.553 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.736 -2.117 -3.560 1.00 0.00 H new ATOM 134 N GLY A 9 13.780 5.367 -2.917 1.00 0.00 N ATOM 135 CA GLY A 9 14.260 6.745 -3.238 1.00 0.00 C ATOM 136 C GLY A 9 13.065 7.694 -3.356 1.00 0.00 C ATOM 137 O GLY A 9 13.221 8.899 -3.390 1.00 0.00 O ATOM 0 H GLY A 9 13.588 5.199 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.939 7.094 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.823 6.736 -4.171 1.00 0.00 H new ATOM 141 N VAL A 10 11.873 7.154 -3.421 1.00 0.00 N ATOM 142 CA VAL A 10 10.647 8.008 -3.540 1.00 0.00 C ATOM 143 C VAL A 10 9.811 7.908 -2.262 1.00 0.00 C ATOM 144 O VAL A 10 9.461 6.831 -1.822 1.00 0.00 O ATOM 145 CB VAL A 10 9.811 7.517 -4.723 1.00 0.00 C ATOM 146 CG1 VAL A 10 8.526 8.341 -4.814 1.00 0.00 C ATOM 147 CG2 VAL A 10 10.614 7.678 -6.017 1.00 0.00 C ATOM 0 H VAL A 10 11.694 6.150 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 10 10.945 9.045 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 10 9.560 6.466 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.929 7.992 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.955 8.227 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.777 9.392 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.019 7.328 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.865 8.729 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.531 7.092 -5.952 1.00 0.00 H new ATOM 157 N ALA A 11 9.479 9.030 -1.681 1.00 0.00 N ATOM 158 CA ALA A 11 8.652 9.028 -0.437 1.00 0.00 C ATOM 159 C ALA A 11 8.658 10.441 0.165 1.00 0.00 C ATOM 160 O ALA A 11 9.567 10.817 0.876 1.00 0.00 O ATOM 161 CB ALA A 11 9.233 8.030 0.579 1.00 0.00 C ATOM 0 H ALA A 11 9.747 9.955 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 11 7.631 8.731 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.624 8.035 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.233 7.029 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.254 8.318 0.828 1.00 0.00 H new ATOM 167 N GLU A 12 7.650 11.220 -0.112 1.00 0.00 N ATOM 168 CA GLU A 12 7.597 12.602 0.451 1.00 0.00 C ATOM 169 C GLU A 12 6.204 13.188 0.213 1.00 0.00 C ATOM 170 O GLU A 12 5.683 13.149 -0.884 1.00 0.00 O ATOM 171 CB GLU A 12 8.653 13.484 -0.229 1.00 0.00 C ATOM 172 CG GLU A 12 8.696 14.861 0.450 1.00 0.00 C ATOM 173 CD GLU A 12 9.262 14.717 1.865 1.00 0.00 C ATOM 174 OE1 GLU A 12 9.753 13.646 2.181 1.00 0.00 O ATOM 175 OE2 GLU A 12 9.203 15.684 2.605 1.00 0.00 O ATOM 0 H GLU A 12 6.860 10.962 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 12 7.802 12.567 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.632 13.008 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.419 13.597 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.313 15.546 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.695 15.290 0.490 1.00 0.00 H new ATOM 182 N THR A 13 5.599 13.724 1.241 1.00 0.00 N ATOM 183 CA THR A 13 4.235 14.311 1.098 1.00 0.00 C ATOM 184 C THR A 13 3.219 13.187 0.876 1.00 0.00 C ATOM 185 O THR A 13 2.024 13.404 0.891 1.00 0.00 O ATOM 186 CB THR A 13 4.200 15.283 -0.098 1.00 0.00 C ATOM 187 OG1 THR A 13 5.450 15.947 -0.201 1.00 0.00 O ATOM 188 CG2 THR A 13 3.090 16.319 0.100 1.00 0.00 C ATOM 0 H THR A 13 5.995 13.780 2.179 1.00 0.00 H new ATOM 0 HA THR A 13 3.984 14.858 2.007 1.00 0.00 H new ATOM 0 HB THR A 13 4.004 14.720 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.431 16.564 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.073 17.001 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.128 15.812 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.277 16.883 1.014 1.00 0.00 H new ATOM 196 N VAL A 14 3.687 11.990 0.660 1.00 0.00 N ATOM 197 CA VAL A 14 2.754 10.855 0.427 1.00 0.00 C ATOM 198 C VAL A 14 2.226 10.338 1.770 1.00 0.00 C ATOM 199 O VAL A 14 2.980 10.083 2.687 1.00 0.00 O ATOM 200 CB VAL A 14 3.503 9.737 -0.297 1.00 0.00 C ATOM 201 CG1 VAL A 14 2.504 8.714 -0.846 1.00 0.00 C ATOM 202 CG2 VAL A 14 4.311 10.339 -1.449 1.00 0.00 C ATOM 0 H VAL A 14 4.678 11.749 0.635 1.00 0.00 H new ATOM 0 HA VAL A 14 1.913 11.188 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 14 4.175 9.237 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.043 7.919 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.930 8.289 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.827 9.205 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.848 9.546 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.636 10.838 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.025 11.062 -1.054 1.00 0.00 H new ATOM 212 N VAL A 15 0.932 10.184 1.892 1.00 0.00 N ATOM 213 CA VAL A 15 0.342 9.684 3.173 1.00 0.00 C ATOM 214 C VAL A 15 -0.838 8.759 2.844 1.00 0.00 C ATOM 215 O VAL A 15 -1.976 9.187 2.826 1.00 0.00 O ATOM 216 CB VAL A 15 -0.158 10.874 3.994 1.00 0.00 C ATOM 217 CG1 VAL A 15 -0.782 10.370 5.299 1.00 0.00 C ATOM 218 CG2 VAL A 15 1.018 11.797 4.316 1.00 0.00 C ATOM 0 H VAL A 15 0.255 10.384 1.156 1.00 0.00 H new ATOM 0 HA VAL A 15 1.093 9.138 3.745 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.907 11.422 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.138 11.218 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.619 9.710 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.034 9.823 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.665 12.646 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.765 11.248 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.463 12.156 3.388 1.00 0.00 H new ATOM 228 N PRO A 16 -0.575 7.506 2.561 1.00 0.00 N ATOM 229 CA PRO A 16 -1.640 6.529 2.199 1.00 0.00 C ATOM 230 C PRO A 16 -2.390 5.985 3.421 1.00 0.00 C ATOM 231 O PRO A 16 -1.825 5.799 4.480 1.00 0.00 O ATOM 232 CB PRO A 16 -0.869 5.425 1.468 1.00 0.00 C ATOM 233 CG PRO A 16 0.501 5.434 2.079 1.00 0.00 C ATOM 234 CD PRO A 16 0.759 6.871 2.568 1.00 0.00 C ATOM 0 HA PRO A 16 -2.425 6.981 1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.351 4.456 1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.824 5.619 0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.560 4.727 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.252 5.133 1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.198 6.879 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.453 7.396 1.911 1.00 0.00 H new ATOM 242 N GLU A 17 -3.663 5.725 3.271 1.00 0.00 N ATOM 243 CA GLU A 17 -4.464 5.185 4.408 1.00 0.00 C ATOM 244 C GLU A 17 -4.397 3.660 4.391 1.00 0.00 C ATOM 245 O GLU A 17 -4.120 3.056 3.369 1.00 0.00 O ATOM 246 CB GLU A 17 -5.913 5.645 4.262 1.00 0.00 C ATOM 247 CG GLU A 17 -5.980 7.154 4.489 1.00 0.00 C ATOM 248 CD GLU A 17 -7.407 7.643 4.253 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.251 6.817 3.946 1.00 0.00 O ATOM 250 OE2 GLU A 17 -7.633 8.835 4.380 1.00 0.00 O ATOM 0 H GLU A 17 -4.184 5.864 2.405 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.063 5.551 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.289 5.396 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.547 5.127 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.666 7.394 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.293 7.665 3.814 1.00 0.00 H new ATOM 257 N VAL A 18 -4.641 3.029 5.514 1.00 0.00 N ATOM 258 CA VAL A 18 -4.581 1.536 5.581 1.00 0.00 C ATOM 259 C VAL A 18 -5.987 0.990 5.824 1.00 0.00 C ATOM 260 O VAL A 18 -6.694 1.438 6.705 1.00 0.00 O ATOM 261 CB VAL A 18 -3.677 1.127 6.744 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.710 -0.394 6.914 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.246 1.591 6.464 1.00 0.00 C ATOM 0 H VAL A 18 -4.881 3.488 6.393 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.187 1.137 4.646 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.033 1.593 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.064 -0.681 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.731 -0.715 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.358 -0.870 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.600 1.300 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.887 1.129 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.230 2.675 6.355 1.00 0.00 H new ATOM 273 N ARG A 19 -6.397 0.022 5.044 1.00 0.00 N ATOM 274 CA ARG A 19 -7.759 -0.573 5.207 1.00 0.00 C ATOM 275 C ARG A 19 -7.644 -2.098 5.207 1.00 0.00 C ATOM 276 O ARG A 19 -6.846 -2.670 4.491 1.00 0.00 O ATOM 277 CB ARG A 19 -8.649 -0.128 4.043 1.00 0.00 C ATOM 278 CG ARG A 19 -10.060 -0.692 4.230 1.00 0.00 C ATOM 279 CD ARG A 19 -10.966 -0.188 3.104 1.00 0.00 C ATOM 280 NE ARG A 19 -12.323 -0.789 3.258 1.00 0.00 N ATOM 281 CZ ARG A 19 -13.219 -0.214 4.017 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.926 0.880 4.665 1.00 0.00 N ATOM 283 NH2 ARG A 19 -14.405 -0.745 4.137 1.00 0.00 N ATOM 0 H ARG A 19 -5.840 -0.386 4.293 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.197 -0.239 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.685 0.960 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.230 -0.475 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.031 -1.782 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.460 -0.386 5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.032 0.900 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.545 -0.456 2.135 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.553 -1.654 2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.996 1.289 4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.627 1.326 5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.631 -1.606 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.106 -0.299 4.728 1.00 0.00 H new ATOM 297 N LEU A 20 -8.438 -2.760 6.008 1.00 0.00 N ATOM 298 CA LEU A 20 -8.387 -4.253 6.067 1.00 0.00 C ATOM 299 C LEU A 20 -9.586 -4.821 5.304 1.00 0.00 C ATOM 300 O LEU A 20 -10.706 -4.383 5.476 1.00 0.00 O ATOM 301 CB LEU A 20 -8.454 -4.695 7.529 1.00 0.00 C ATOM 302 CG LEU A 20 -7.323 -4.025 8.319 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.415 -4.449 9.786 1.00 0.00 C ATOM 304 CD2 LEU A 20 -5.958 -4.438 7.742 1.00 0.00 C ATOM 0 H LEU A 20 -9.124 -2.329 6.628 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.463 -4.616 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.420 -4.426 7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.366 -5.779 7.596 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.422 -2.942 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.613 -3.976 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.378 -4.142 10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.320 -5.532 9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.162 -3.957 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.848 -5.520 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.896 -4.130 6.698 1.00 0.00 H new ATOM 316 N SER A 21 -9.350 -5.787 4.452 1.00 0.00 N ATOM 317 CA SER A 21 -10.463 -6.395 3.653 1.00 0.00 C ATOM 318 C SER A 21 -10.407 -7.916 3.775 1.00 0.00 C ATOM 319 O SER A 21 -9.363 -8.491 4.009 1.00 0.00 O ATOM 320 CB SER A 21 -10.302 -5.998 2.186 1.00 0.00 C ATOM 321 OG SER A 21 -10.533 -4.602 2.048 1.00 0.00 O ATOM 0 H SER A 21 -8.428 -6.185 4.273 1.00 0.00 H new ATOM 0 HA SER A 21 -11.421 -6.037 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.300 -6.248 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.004 -6.557 1.567 1.00 0.00 H new ATOM 0 HG SER A 21 -11.376 -4.456 1.570 1.00 0.00 H new ATOM 327 N LYS A 22 -11.530 -8.572 3.618 1.00 0.00 N ATOM 328 CA LYS A 22 -11.564 -10.065 3.725 1.00 0.00 C ATOM 329 C LYS A 22 -11.792 -10.662 2.334 1.00 0.00 C ATOM 330 O LYS A 22 -12.496 -10.109 1.512 1.00 0.00 O ATOM 331 CB LYS A 22 -12.703 -10.468 4.664 1.00 0.00 C ATOM 332 CG LYS A 22 -12.513 -9.786 6.027 1.00 0.00 C ATOM 333 CD LYS A 22 -11.224 -10.282 6.698 1.00 0.00 C ATOM 334 CE LYS A 22 -11.263 -9.956 8.193 1.00 0.00 C ATOM 335 NZ LYS A 22 -11.250 -8.477 8.374 1.00 0.00 N ATOM 0 H LYS A 22 -12.430 -8.136 3.419 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.620 -10.438 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.662 -10.181 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.720 -11.551 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.470 -8.705 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.369 -9.996 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.117 -11.357 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.357 -9.810 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.158 -10.382 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.406 -10.403 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.106 -8.251 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.478 -8.065 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.158 -8.080 8.057 1.00 0.00 H new ATOM 349 N SER A 23 -11.177 -11.780 2.065 1.00 0.00 N ATOM 350 CA SER A 23 -11.322 -12.414 0.725 1.00 0.00 C ATOM 351 C SER A 23 -12.711 -13.039 0.561 1.00 0.00 C ATOM 352 O SER A 23 -13.372 -13.390 1.520 1.00 0.00 O ATOM 353 CB SER A 23 -10.250 -13.489 0.566 1.00 0.00 C ATOM 354 OG SER A 23 -8.968 -12.872 0.596 1.00 0.00 O ATOM 0 H SER A 23 -10.578 -12.284 2.719 1.00 0.00 H new ATOM 0 HA SER A 23 -11.203 -11.649 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.333 -14.225 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.389 -14.023 -0.374 1.00 0.00 H new ATOM 0 HG SER A 23 -8.272 -13.562 0.567 1.00 0.00 H new ATOM 360 N LYS A 24 -13.146 -13.166 -0.664 1.00 0.00 N ATOM 361 CA LYS A 24 -14.487 -13.754 -0.961 1.00 0.00 C ATOM 362 C LYS A 24 -14.788 -14.941 -0.036 1.00 0.00 C ATOM 363 O LYS A 24 -14.005 -15.862 0.097 1.00 0.00 O ATOM 364 CB LYS A 24 -14.503 -14.214 -2.426 1.00 0.00 C ATOM 365 CG LYS A 24 -13.222 -14.999 -2.741 1.00 0.00 C ATOM 366 CD LYS A 24 -13.212 -15.381 -4.223 1.00 0.00 C ATOM 367 CE LYS A 24 -11.990 -16.253 -4.521 1.00 0.00 C ATOM 368 NZ LYS A 24 -10.748 -15.450 -4.341 1.00 0.00 N ATOM 0 H LYS A 24 -12.618 -12.881 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.255 -12.999 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.377 -14.838 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.583 -13.351 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.345 -14.396 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.170 -15.895 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.126 -15.919 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.189 -14.483 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.976 -17.117 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.043 -16.636 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.947 -15.947 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.867 -14.520 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.562 -15.321 -3.326 1.00 0.00 H new ATOM 382 N ASN A 25 -15.937 -14.916 0.596 1.00 0.00 N ATOM 383 CA ASN A 25 -16.335 -16.023 1.518 1.00 0.00 C ATOM 384 C ASN A 25 -15.316 -16.153 2.653 1.00 0.00 C ATOM 385 O ASN A 25 -15.161 -17.208 3.239 1.00 0.00 O ATOM 386 CB ASN A 25 -16.418 -17.344 0.746 1.00 0.00 C ATOM 387 CG ASN A 25 -17.133 -18.395 1.603 1.00 0.00 C ATOM 388 OD1 ASN A 25 -16.501 -19.252 2.186 1.00 0.00 O ATOM 389 ND2 ASN A 25 -18.435 -18.363 1.702 1.00 0.00 N ATOM 0 H ASN A 25 -16.623 -14.166 0.510 1.00 0.00 H new ATOM 0 HA ASN A 25 -17.313 -15.793 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.956 -17.197 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.417 -17.690 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.921 -19.058 2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.966 -17.643 1.212 1.00 0.00 H new ATOM 396 N GLY A 26 -14.639 -15.081 2.978 1.00 0.00 N ATOM 397 CA GLY A 26 -13.637 -15.115 4.089 1.00 0.00 C ATOM 398 C GLY A 26 -12.831 -16.415 4.045 1.00 0.00 C ATOM 399 O GLY A 26 -12.763 -17.145 5.016 1.00 0.00 O ATOM 0 H GLY A 26 -14.738 -14.176 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.965 -14.261 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.146 -15.028 5.049 1.00 0.00 H new ATOM 403 N GLN A 27 -12.222 -16.710 2.928 1.00 0.00 N ATOM 404 CA GLN A 27 -11.412 -17.963 2.808 1.00 0.00 C ATOM 405 C GLN A 27 -9.923 -17.610 2.873 1.00 0.00 C ATOM 406 O GLN A 27 -9.076 -18.469 3.017 1.00 0.00 O ATOM 407 CB GLN A 27 -11.731 -18.637 1.470 1.00 0.00 C ATOM 408 CG GLN A 27 -10.951 -19.949 1.353 1.00 0.00 C ATOM 409 CD GLN A 27 -11.442 -20.723 0.130 1.00 0.00 C ATOM 410 OE1 GLN A 27 -11.593 -20.165 -0.939 1.00 0.00 O ATOM 411 NE2 GLN A 27 -11.703 -21.997 0.243 1.00 0.00 N ATOM 0 H GLN A 27 -12.249 -16.135 2.086 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.654 -18.645 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.801 -18.831 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.470 -17.973 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.884 -19.744 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.086 -20.547 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.576 -22.466 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.033 -22.524 -0.566 1.00 0.00 H new ATOM 420 N SER A 28 -9.597 -16.347 2.777 1.00 0.00 N ATOM 421 CA SER A 28 -8.161 -15.939 2.839 1.00 0.00 C ATOM 422 C SER A 28 -8.053 -14.508 3.375 1.00 0.00 C ATOM 423 O SER A 28 -9.006 -13.756 3.366 1.00 0.00 O ATOM 424 CB SER A 28 -7.553 -16.013 1.438 1.00 0.00 C ATOM 425 OG SER A 28 -8.379 -15.305 0.527 1.00 0.00 O ATOM 0 H SER A 28 -10.261 -15.582 2.659 1.00 0.00 H new ATOM 0 HA SER A 28 -7.620 -16.611 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.550 -15.587 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.457 -17.053 1.126 1.00 0.00 H new ATOM 0 HG SER A 28 -7.989 -15.350 -0.371 1.00 0.00 H new ATOM 431 N GLY A 29 -6.894 -14.133 3.854 1.00 0.00 N ATOM 432 CA GLY A 29 -6.711 -12.757 4.405 1.00 0.00 C ATOM 433 C GLY A 29 -6.347 -11.786 3.279 1.00 0.00 C ATOM 434 O GLY A 29 -5.680 -12.144 2.329 1.00 0.00 O ATOM 0 H GLY A 29 -6.063 -14.724 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.626 -12.429 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.926 -12.761 5.161 1.00 0.00 H new ATOM 438 N MET A 30 -6.776 -10.555 3.382 1.00 0.00 N ATOM 439 CA MET A 30 -6.447 -9.554 2.324 1.00 0.00 C ATOM 440 C MET A 30 -6.422 -8.152 2.940 1.00 0.00 C ATOM 441 O MET A 30 -7.000 -7.908 3.980 1.00 0.00 O ATOM 442 CB MET A 30 -7.502 -9.610 1.218 1.00 0.00 C ATOM 443 CG MET A 30 -7.082 -8.695 0.067 1.00 0.00 C ATOM 444 SD MET A 30 -8.179 -8.963 -1.346 1.00 0.00 S ATOM 445 CE MET A 30 -9.432 -7.742 -0.894 1.00 0.00 C ATOM 0 H MET A 30 -7.340 -10.199 4.154 1.00 0.00 H new ATOM 0 HA MET A 30 -5.469 -9.782 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.616 -10.633 0.860 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.471 -9.299 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.125 -7.653 0.382 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.050 -8.900 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.157 -7.648 -1.703 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.942 -8.063 0.014 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.954 -6.778 -0.721 1.00 0.00 H new ATOM 455 N ALA A 31 -5.761 -7.228 2.298 1.00 0.00 N ATOM 456 CA ALA A 31 -5.697 -5.834 2.830 1.00 0.00 C ATOM 457 C ALA A 31 -5.689 -4.867 1.648 1.00 0.00 C ATOM 458 O ALA A 31 -5.215 -5.195 0.580 1.00 0.00 O ATOM 459 CB ALA A 31 -4.418 -5.655 3.651 1.00 0.00 C ATOM 0 H ALA A 31 -5.259 -7.378 1.423 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.557 -5.637 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.374 -4.637 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.418 -6.360 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.550 -5.841 3.018 1.00 0.00 H new ATOM 465 N LYS A 32 -6.219 -3.683 1.824 1.00 0.00 N ATOM 466 CA LYS A 32 -6.257 -2.688 0.704 1.00 0.00 C ATOM 467 C LYS A 32 -5.489 -1.430 1.101 1.00 0.00 C ATOM 468 O LYS A 32 -5.491 -1.024 2.246 1.00 0.00 O ATOM 469 CB LYS A 32 -7.709 -2.321 0.403 1.00 0.00 C ATOM 470 CG LYS A 32 -8.435 -3.549 -0.146 1.00 0.00 C ATOM 471 CD LYS A 32 -9.882 -3.182 -0.469 1.00 0.00 C ATOM 472 CE LYS A 32 -10.605 -4.412 -1.017 1.00 0.00 C ATOM 473 NZ LYS A 32 -12.012 -4.054 -1.349 1.00 0.00 N ATOM 0 H LYS A 32 -6.630 -3.359 2.700 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.796 -3.126 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.202 -1.967 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.748 -1.507 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.932 -3.912 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.408 -4.358 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.386 -2.819 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.910 -2.374 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.093 -4.782 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.587 -5.216 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.504 -4.891 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.497 -3.720 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.019 -3.300 -2.066 1.00 0.00 H new ATOM 487 N PHE A 33 -4.841 -0.808 0.151 1.00 0.00 N ATOM 488 CA PHE A 33 -4.065 0.438 0.432 1.00 0.00 C ATOM 489 C PHE A 33 -4.612 1.564 -0.440 1.00 0.00 C ATOM 490 O PHE A 33 -4.890 1.372 -1.608 1.00 0.00 O ATOM 491 CB PHE A 33 -2.591 0.202 0.090 1.00 0.00 C ATOM 492 CG PHE A 33 -1.955 -0.633 1.172 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.985 -2.031 1.088 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.336 -0.010 2.260 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.396 -2.803 2.096 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.746 -0.781 3.266 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.775 -2.178 3.184 1.00 0.00 C ATOM 0 H PHE A 33 -4.816 -1.114 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.156 0.705 1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.506 -0.303 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.070 1.155 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.462 -2.512 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.314 1.068 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.421 -3.881 2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.268 -0.299 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.318 -2.774 3.960 1.00 0.00 H new ATOM 507 N TYR A 34 -4.768 2.737 0.122 1.00 0.00 N ATOM 508 CA TYR A 34 -5.298 3.896 -0.662 1.00 0.00 C ATOM 509 C TYR A 34 -4.251 5.009 -0.678 1.00 0.00 C ATOM 510 O TYR A 34 -3.764 5.428 0.355 1.00 0.00 O ATOM 511 CB TYR A 34 -6.575 4.416 0.000 1.00 0.00 C ATOM 512 CG TYR A 34 -7.134 5.549 -0.824 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.882 5.273 -1.974 1.00 0.00 C ATOM 514 CD2 TYR A 34 -6.901 6.875 -0.440 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.397 6.323 -2.741 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.415 7.925 -1.209 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.164 7.649 -2.359 1.00 0.00 C ATOM 518 OH TYR A 34 -8.670 8.684 -3.118 1.00 0.00 O ATOM 0 H TYR A 34 -4.550 2.943 1.097 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.518 3.580 -1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.309 3.614 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.361 4.758 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.062 4.250 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.325 7.087 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.975 6.110 -3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.234 8.948 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.418 9.540 -2.713 1.00 0.00 H new ATOM 528 N PHE A 35 -3.903 5.491 -1.843 1.00 0.00 N ATOM 529 CA PHE A 35 -2.884 6.582 -1.947 1.00 0.00 C ATOM 530 C PHE A 35 -3.583 7.874 -2.369 1.00 0.00 C ATOM 531 O PHE A 35 -4.230 7.932 -3.398 1.00 0.00 O ATOM 532 CB PHE A 35 -1.847 6.198 -3.002 1.00 0.00 C ATOM 533 CG PHE A 35 -0.944 5.129 -2.441 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.358 3.792 -2.439 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.306 5.477 -1.919 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.521 2.804 -1.911 1.00 0.00 C ATOM 537 CE2 PHE A 35 1.142 4.491 -1.392 1.00 0.00 C ATOM 538 CZ PHE A 35 0.730 3.152 -1.388 1.00 0.00 C ATOM 0 H PHE A 35 -4.283 5.174 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.391 6.727 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.343 5.836 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.262 7.072 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.322 3.524 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.625 6.509 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.840 1.772 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.106 4.760 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.377 2.389 -0.982 1.00 0.00 H new ATOM 548 N LEU A 36 -3.464 8.910 -1.576 1.00 0.00 N ATOM 549 CA LEU A 36 -4.130 10.204 -1.919 1.00 0.00 C ATOM 550 C LEU A 36 -3.158 11.107 -2.684 1.00 0.00 C ATOM 551 O LEU A 36 -2.068 11.393 -2.226 1.00 0.00 O ATOM 552 CB LEU A 36 -4.573 10.896 -0.622 1.00 0.00 C ATOM 553 CG LEU A 36 -5.164 12.281 -0.924 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.310 12.163 -1.939 1.00 0.00 C ATOM 555 CD2 LEU A 36 -5.694 12.885 0.381 1.00 0.00 C ATOM 0 H LEU A 36 -2.934 8.915 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.998 10.012 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.314 10.282 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.722 10.997 0.052 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.390 12.921 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.719 13.153 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.933 11.728 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.093 11.524 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.117 13.870 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.466 12.236 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.877 12.980 1.096 1.00 0.00 H new ATOM 567 N GLU A 37 -3.560 11.564 -3.845 1.00 0.00 N ATOM 568 CA GLU A 37 -2.687 12.463 -4.662 1.00 0.00 C ATOM 569 C GLU A 37 -1.229 11.995 -4.604 1.00 0.00 C ATOM 570 O GLU A 37 -0.391 12.621 -3.983 1.00 0.00 O ATOM 571 CB GLU A 37 -2.794 13.890 -4.123 1.00 0.00 C ATOM 572 CG GLU A 37 -4.155 14.477 -4.513 1.00 0.00 C ATOM 573 CD GLU A 37 -4.433 15.734 -3.685 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.740 15.591 -2.514 1.00 0.00 O ATOM 575 OE2 GLU A 37 -4.335 16.817 -4.238 1.00 0.00 O ATOM 0 H GLU A 37 -4.465 11.350 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.017 12.433 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.682 13.891 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.990 14.505 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.166 14.720 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.941 13.740 -4.347 1.00 0.00 H new ATOM 582 N PRO A 38 -0.931 10.898 -5.252 1.00 0.00 N ATOM 583 CA PRO A 38 0.450 10.325 -5.284 1.00 0.00 C ATOM 584 C PRO A 38 1.460 11.292 -5.923 1.00 0.00 C ATOM 585 O PRO A 38 1.155 11.993 -6.868 1.00 0.00 O ATOM 586 CB PRO A 38 0.308 9.042 -6.129 1.00 0.00 C ATOM 587 CG PRO A 38 -1.162 8.738 -6.158 1.00 0.00 C ATOM 588 CD PRO A 38 -1.879 10.079 -6.019 1.00 0.00 C ATOM 0 HA PRO A 38 0.832 10.133 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.697 9.191 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.870 8.218 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.439 8.244 -7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.436 8.064 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.095 10.521 -6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.831 9.973 -5.498 1.00 0.00 H new ATOM 596 N THR A 39 2.658 11.328 -5.406 1.00 0.00 N ATOM 597 CA THR A 39 3.699 12.239 -5.966 1.00 0.00 C ATOM 598 C THR A 39 4.422 11.552 -7.129 1.00 0.00 C ATOM 599 O THR A 39 5.092 12.190 -7.919 1.00 0.00 O ATOM 600 CB THR A 39 4.709 12.576 -4.867 1.00 0.00 C ATOM 601 OG1 THR A 39 5.125 11.376 -4.233 1.00 0.00 O ATOM 602 CG2 THR A 39 4.053 13.501 -3.839 1.00 0.00 C ATOM 0 H THR A 39 2.963 10.762 -4.614 1.00 0.00 H new ATOM 0 HA THR A 39 3.226 13.151 -6.330 1.00 0.00 H new ATOM 0 HB THR A 39 5.574 13.077 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.774 11.586 -3.529 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.771 13.742 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.730 14.419 -4.330 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.190 13.002 -3.399 1.00 0.00 H new ATOM 610 N ILE A 40 4.308 10.257 -7.231 1.00 0.00 N ATOM 611 CA ILE A 40 5.005 9.529 -8.331 1.00 0.00 C ATOM 612 C ILE A 40 4.336 9.847 -9.674 1.00 0.00 C ATOM 613 O ILE A 40 4.725 9.339 -10.707 1.00 0.00 O ATOM 614 CB ILE A 40 4.941 8.020 -8.053 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.852 7.265 -9.030 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.500 7.524 -8.214 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.094 5.847 -8.508 1.00 0.00 C ATOM 0 H ILE A 40 3.762 9.670 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 40 6.047 9.846 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 40 5.278 7.836 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.392 7.227 -10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.801 7.791 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.460 6.453 -8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.854 8.048 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.160 7.718 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.741 5.310 -9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.572 5.896 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.142 5.324 -8.421 1.00 0.00 H new ATOM 629 N LEU A 41 3.337 10.687 -9.672 1.00 0.00 N ATOM 630 CA LEU A 41 2.656 11.035 -10.953 1.00 0.00 C ATOM 631 C LEU A 41 3.468 12.107 -11.679 1.00 0.00 C ATOM 632 O LEU A 41 3.189 12.453 -12.811 1.00 0.00 O ATOM 633 CB LEU A 41 1.253 11.572 -10.657 1.00 0.00 C ATOM 634 CG LEU A 41 0.368 10.450 -10.101 1.00 0.00 C ATOM 635 CD1 LEU A 41 -0.905 11.063 -9.514 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.007 9.453 -11.218 1.00 0.00 C ATOM 0 H LEU A 41 2.963 11.147 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 41 2.578 10.146 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.312 12.390 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.811 11.978 -11.567 1.00 0.00 H new ATOM 0 HG LEU A 41 0.917 9.914 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.540 10.271 -9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.641 11.753 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.443 11.602 -10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.635 8.664 -10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.551 9.976 -12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.900 9.015 -11.634 1.00 0.00 H new ATOM 648 N ALA A 42 4.479 12.631 -11.038 1.00 0.00 N ATOM 649 CA ALA A 42 5.322 13.678 -11.687 1.00 0.00 C ATOM 650 C ALA A 42 6.557 13.018 -12.306 1.00 0.00 C ATOM 651 O ALA A 42 7.158 13.542 -13.224 1.00 0.00 O ATOM 652 CB ALA A 42 5.765 14.694 -10.632 1.00 0.00 C ATOM 0 H ALA A 42 4.758 12.378 -10.090 1.00 0.00 H new ATOM 0 HA ALA A 42 4.749 14.184 -12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.381 15.461 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.887 15.159 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.343 14.187 -9.859 1.00 0.00 H new ATOM 658 N LYS A 43 6.940 11.872 -11.805 1.00 0.00 N ATOM 659 CA LYS A 43 8.140 11.168 -12.353 1.00 0.00 C ATOM 660 C LYS A 43 7.696 10.059 -13.315 1.00 0.00 C ATOM 661 O LYS A 43 7.845 10.170 -14.517 1.00 0.00 O ATOM 662 CB LYS A 43 8.929 10.548 -11.201 1.00 0.00 C ATOM 663 CG LYS A 43 10.312 10.128 -11.700 1.00 0.00 C ATOM 664 CD LYS A 43 11.141 9.598 -10.529 1.00 0.00 C ATOM 665 CE LYS A 43 12.543 9.235 -11.021 1.00 0.00 C ATOM 666 NZ LYS A 43 12.444 8.161 -12.050 1.00 0.00 N ATOM 0 H LYS A 43 6.472 11.391 -11.037 1.00 0.00 H new ATOM 0 HA LYS A 43 8.765 11.883 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.027 11.265 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.396 9.684 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.215 9.360 -12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.817 10.977 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.203 10.351 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.658 8.723 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.031 10.114 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.158 8.898 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.366 7.691 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.731 7.463 -11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.166 8.578 -12.961 1.00 0.00 H new ATOM 680 N GLU A 44 7.163 8.982 -12.787 1.00 0.00 N ATOM 681 CA GLU A 44 6.713 7.846 -13.654 1.00 0.00 C ATOM 682 C GLU A 44 5.185 7.842 -13.764 1.00 0.00 C ATOM 683 O GLU A 44 4.488 8.417 -12.952 1.00 0.00 O ATOM 684 CB GLU A 44 7.187 6.528 -13.041 1.00 0.00 C ATOM 685 CG GLU A 44 8.709 6.444 -13.146 1.00 0.00 C ATOM 686 CD GLU A 44 9.195 5.159 -12.476 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.357 4.398 -12.024 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.398 4.958 -12.427 1.00 0.00 O ATOM 0 H GLU A 44 7.020 8.841 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 44 7.138 7.963 -14.651 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.879 6.467 -11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.728 5.686 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.014 6.459 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.166 7.311 -12.669 1.00 0.00 H new ATOM 695 N SER A 45 4.666 7.201 -14.779 1.00 0.00 N ATOM 696 CA SER A 45 3.187 7.156 -14.974 1.00 0.00 C ATOM 697 C SER A 45 2.562 6.076 -14.084 1.00 0.00 C ATOM 698 O SER A 45 3.247 5.259 -13.498 1.00 0.00 O ATOM 699 CB SER A 45 2.888 6.844 -16.440 1.00 0.00 C ATOM 700 OG SER A 45 3.091 8.016 -17.217 1.00 0.00 O ATOM 0 H SER A 45 5.208 6.703 -15.486 1.00 0.00 H new ATOM 0 HA SER A 45 2.761 8.122 -14.702 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.536 6.042 -16.793 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.861 6.495 -16.548 1.00 0.00 H new ATOM 0 HG SER A 45 2.902 7.821 -18.159 1.00 0.00 H new ATOM 706 N THR A 46 1.260 6.076 -13.981 1.00 0.00 N ATOM 707 CA THR A 46 0.568 5.060 -13.140 1.00 0.00 C ATOM 708 C THR A 46 0.749 3.669 -13.753 1.00 0.00 C ATOM 709 O THR A 46 0.909 2.686 -13.054 1.00 0.00 O ATOM 710 CB THR A 46 -0.921 5.402 -13.080 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.422 5.526 -14.403 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.107 6.725 -12.340 1.00 0.00 C ATOM 0 H THR A 46 0.643 6.741 -14.447 1.00 0.00 H new ATOM 0 HA THR A 46 0.992 5.063 -12.136 1.00 0.00 H new ATOM 0 HB THR A 46 -1.460 4.614 -12.555 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.151 6.181 -14.417 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.168 6.971 -12.296 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.713 6.634 -11.328 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.573 7.515 -12.868 1.00 0.00 H new ATOM 720 N ASP A 47 0.728 3.580 -15.055 1.00 0.00 N ATOM 721 CA ASP A 47 0.901 2.257 -15.720 1.00 0.00 C ATOM 722 C ASP A 47 2.346 1.791 -15.543 1.00 0.00 C ATOM 723 O ASP A 47 2.644 0.613 -15.604 1.00 0.00 O ATOM 724 CB ASP A 47 0.582 2.391 -17.211 1.00 0.00 C ATOM 725 CG ASP A 47 0.416 1.002 -17.830 1.00 0.00 C ATOM 726 OD1 ASP A 47 0.900 0.049 -17.241 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.194 0.914 -18.884 1.00 0.00 O ATOM 0 H ASP A 47 0.598 4.369 -15.689 1.00 0.00 H new ATOM 0 HA ASP A 47 0.226 1.528 -15.272 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.331 2.972 -17.347 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.382 2.932 -17.717 1.00 0.00 H new ATOM 732 N ASP A 48 3.243 2.711 -15.335 1.00 0.00 N ATOM 733 CA ASP A 48 4.673 2.337 -15.163 1.00 0.00 C ATOM 734 C ASP A 48 4.892 1.768 -13.761 1.00 0.00 C ATOM 735 O ASP A 48 5.966 1.302 -13.432 1.00 0.00 O ATOM 736 CB ASP A 48 5.540 3.583 -15.344 1.00 0.00 C ATOM 737 CG ASP A 48 5.483 4.035 -16.804 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.078 3.240 -17.633 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.847 5.171 -17.067 1.00 0.00 O ATOM 0 H ASP A 48 3.047 3.710 -15.276 1.00 0.00 H new ATOM 0 HA ASP A 48 4.945 1.585 -15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.189 4.382 -14.691 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.570 3.367 -15.059 1.00 0.00 H new ATOM 744 N ILE A 49 3.885 1.798 -12.928 1.00 0.00 N ATOM 745 CA ILE A 49 4.045 1.254 -11.548 1.00 0.00 C ATOM 746 C ILE A 49 3.724 -0.240 -11.547 1.00 0.00 C ATOM 747 O ILE A 49 4.601 -1.067 -11.693 1.00 0.00 O ATOM 748 CB ILE A 49 3.086 1.971 -10.596 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.452 3.457 -10.525 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.197 1.350 -9.200 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.361 4.216 -9.769 1.00 0.00 C ATOM 0 H ILE A 49 2.962 2.174 -13.143 1.00 0.00 H new ATOM 0 HA ILE A 49 5.072 1.411 -11.219 1.00 0.00 H new ATOM 0 HB ILE A 49 2.064 1.867 -10.961 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.411 3.582 -10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.563 3.864 -11.530 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.514 1.859 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.937 0.293 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.219 1.455 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.622 5.273 -9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.410 4.101 -10.290 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.272 3.816 -8.759 1.00 0.00 H new ATOM 763 N THR A 50 2.473 -0.582 -11.376 1.00 0.00 N ATOM 764 CA THR A 50 2.066 -2.019 -11.348 1.00 0.00 C ATOM 765 C THR A 50 2.653 -2.695 -10.101 1.00 0.00 C ATOM 766 O THR A 50 2.003 -3.497 -9.456 1.00 0.00 O ATOM 767 CB THR A 50 2.572 -2.736 -12.611 1.00 0.00 C ATOM 768 OG1 THR A 50 2.404 -1.888 -13.738 1.00 0.00 O ATOM 769 CG2 THR A 50 1.773 -4.024 -12.824 1.00 0.00 C ATOM 0 H THR A 50 1.708 0.081 -11.253 1.00 0.00 H new ATOM 0 HA THR A 50 0.978 -2.080 -11.317 1.00 0.00 H new ATOM 0 HB THR A 50 3.628 -2.978 -12.490 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.728 -2.345 -14.542 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.132 -4.531 -13.719 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.900 -4.678 -11.961 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.717 -3.782 -12.944 1.00 0.00 H new ATOM 777 N GLY A 51 3.877 -2.380 -9.760 1.00 0.00 N ATOM 778 CA GLY A 51 4.524 -2.997 -8.562 1.00 0.00 C ATOM 779 C GLY A 51 4.531 -2.003 -7.400 1.00 0.00 C ATOM 780 O GLY A 51 4.703 -0.814 -7.586 1.00 0.00 O ATOM 0 H GLY A 51 4.462 -1.715 -10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.988 -3.901 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.545 -3.295 -8.803 1.00 0.00 H new ATOM 784 N MET A 52 4.362 -2.491 -6.197 1.00 0.00 N ATOM 785 CA MET A 52 4.375 -1.600 -4.994 1.00 0.00 C ATOM 786 C MET A 52 5.406 -2.147 -4.006 1.00 0.00 C ATOM 787 O MET A 52 5.415 -3.321 -3.695 1.00 0.00 O ATOM 788 CB MET A 52 2.988 -1.593 -4.347 1.00 0.00 C ATOM 789 CG MET A 52 2.983 -0.636 -3.155 1.00 0.00 C ATOM 790 SD MET A 52 1.286 -0.411 -2.568 1.00 0.00 S ATOM 791 CE MET A 52 1.224 -1.846 -1.469 1.00 0.00 C ATOM 0 H MET A 52 4.214 -3.480 -5.994 1.00 0.00 H new ATOM 0 HA MET A 52 4.634 -0.580 -5.279 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.237 -1.286 -5.075 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.723 -2.599 -4.020 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.606 -1.033 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.409 0.325 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.441 -2.527 -1.803 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.185 -2.361 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.009 -1.517 -0.452 1.00 0.00 H new ATOM 801 N TYR A 53 6.287 -1.307 -3.522 1.00 0.00 N ATOM 802 CA TYR A 53 7.336 -1.778 -2.566 1.00 0.00 C ATOM 803 C TYR A 53 6.968 -1.368 -1.144 1.00 0.00 C ATOM 804 O TYR A 53 6.834 -0.199 -0.831 1.00 0.00 O ATOM 805 CB TYR A 53 8.676 -1.143 -2.946 1.00 0.00 C ATOM 806 CG TYR A 53 9.210 -1.818 -4.188 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.686 -1.488 -5.443 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.224 -2.778 -4.082 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.175 -2.118 -6.592 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.713 -3.407 -5.230 1.00 0.00 C ATOM 811 CZ TYR A 53 10.189 -3.078 -6.486 1.00 0.00 C ATOM 812 OH TYR A 53 10.670 -3.700 -7.619 1.00 0.00 O ATOM 0 H TYR A 53 6.325 -0.313 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 53 7.409 -2.864 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.549 -0.075 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.387 -1.247 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.904 -0.747 -5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.628 -3.032 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.771 -1.864 -7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.495 -4.147 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 53 11.371 -4.338 -7.369 1.00 0.00 H new ATOM 822 N LEU A 54 6.812 -2.334 -0.278 1.00 0.00 N ATOM 823 CA LEU A 54 6.464 -2.041 1.142 1.00 0.00 C ATOM 824 C LEU A 54 7.719 -2.190 1.996 1.00 0.00 C ATOM 825 O LEU A 54 8.256 -3.269 2.146 1.00 0.00 O ATOM 826 CB LEU A 54 5.392 -3.034 1.605 1.00 0.00 C ATOM 827 CG LEU A 54 4.026 -2.647 1.006 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.099 -3.866 1.009 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.375 -1.531 1.839 1.00 0.00 C ATOM 0 H LEU A 54 6.912 -3.325 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 54 6.079 -1.026 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.662 -4.044 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.334 -3.038 2.693 1.00 0.00 H new ATOM 0 HG LEU A 54 4.182 -2.296 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.134 -3.590 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.543 -4.662 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.960 -4.215 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.411 -1.268 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.229 -1.878 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.023 -0.654 1.842 1.00 0.00 H new ATOM 841 N ILE A 55 8.196 -1.111 2.557 1.00 0.00 N ATOM 842 CA ILE A 55 9.423 -1.179 3.403 1.00 0.00 C ATOM 843 C ILE A 55 9.000 -1.234 4.870 1.00 0.00 C ATOM 844 O ILE A 55 8.605 -0.245 5.455 1.00 0.00 O ATOM 845 CB ILE A 55 10.268 0.071 3.141 1.00 0.00 C ATOM 846 CG1 ILE A 55 10.831 0.010 1.712 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.423 0.138 4.144 1.00 0.00 C ATOM 848 CD1 ILE A 55 9.698 0.109 0.678 1.00 0.00 C ATOM 0 H ILE A 55 7.787 -0.181 2.465 1.00 0.00 H new ATOM 0 HA ILE A 55 10.011 -2.065 3.165 1.00 0.00 H new ATOM 0 HB ILE A 55 9.646 0.959 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.541 0.823 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.379 -0.922 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.020 1.029 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.023 0.180 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.049 -0.748 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.118 0.064 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.004 -0.719 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.168 1.053 0.808 1.00 0.00 H new ATOM 860 N ASP A 56 9.065 -2.399 5.460 1.00 0.00 N ATOM 861 CA ASP A 56 8.653 -2.550 6.885 1.00 0.00 C ATOM 862 C ASP A 56 9.865 -2.444 7.809 1.00 0.00 C ATOM 863 O ASP A 56 10.992 -2.326 7.371 1.00 0.00 O ATOM 864 CB ASP A 56 7.989 -3.917 7.070 1.00 0.00 C ATOM 865 CG ASP A 56 6.602 -3.905 6.421 1.00 0.00 C ATOM 866 OD1 ASP A 56 6.159 -2.835 6.036 1.00 0.00 O ATOM 867 OD2 ASP A 56 6.010 -4.966 6.319 1.00 0.00 O ATOM 0 H ASP A 56 9.388 -3.257 5.012 1.00 0.00 H new ATOM 0 HA ASP A 56 7.952 -1.754 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.605 -4.696 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.903 -4.151 8.131 1.00 0.00 H new ATOM 872 N ASP A 57 9.628 -2.484 9.091 1.00 0.00 N ATOM 873 CA ASP A 57 10.741 -2.387 10.073 1.00 0.00 C ATOM 874 C ASP A 57 11.657 -3.608 9.941 1.00 0.00 C ATOM 875 O ASP A 57 12.859 -3.512 10.092 1.00 0.00 O ATOM 876 CB ASP A 57 10.152 -2.339 11.484 1.00 0.00 C ATOM 877 CG ASP A 57 11.249 -1.992 12.492 1.00 0.00 C ATOM 878 OD1 ASP A 57 12.404 -2.246 12.194 1.00 0.00 O ATOM 879 OD2 ASP A 57 10.912 -1.480 13.548 1.00 0.00 O ATOM 0 H ASP A 57 8.700 -2.581 9.503 1.00 0.00 H new ATOM 0 HA ASP A 57 11.322 -1.485 9.882 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.355 -1.597 11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.706 -3.302 11.735 1.00 0.00 H new ATOM 884 N GLU A 58 11.096 -4.758 9.674 1.00 0.00 N ATOM 885 CA GLU A 58 11.931 -5.991 9.550 1.00 0.00 C ATOM 886 C GLU A 58 12.441 -6.137 8.114 1.00 0.00 C ATOM 887 O GLU A 58 13.587 -5.861 7.821 1.00 0.00 O ATOM 888 CB GLU A 58 11.088 -7.219 9.902 1.00 0.00 C ATOM 889 CG GLU A 58 10.651 -7.148 11.366 1.00 0.00 C ATOM 890 CD GLU A 58 11.878 -7.244 12.277 1.00 0.00 C ATOM 891 OE1 GLU A 58 12.906 -7.706 11.806 1.00 0.00 O ATOM 892 OE2 GLU A 58 11.769 -6.854 13.427 1.00 0.00 O ATOM 0 H GLU A 58 10.095 -4.898 9.536 1.00 0.00 H new ATOM 0 HA GLU A 58 12.778 -5.912 10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.213 -7.268 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.664 -8.128 9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.120 -6.214 11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.957 -7.959 11.588 1.00 0.00 H new ATOM 899 N GLY A 59 11.590 -6.581 7.222 1.00 0.00 N ATOM 900 CA GLY A 59 11.996 -6.768 5.792 1.00 0.00 C ATOM 901 C GLY A 59 11.059 -5.960 4.893 1.00 0.00 C ATOM 902 O GLY A 59 10.609 -4.892 5.253 1.00 0.00 O ATOM 0 H GLY A 59 10.621 -6.825 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.027 -6.443 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.955 -7.824 5.525 1.00 0.00 H new ATOM 906 N GLU A 60 10.767 -6.462 3.722 1.00 0.00 N ATOM 907 CA GLU A 60 9.862 -5.726 2.790 1.00 0.00 C ATOM 908 C GLU A 60 8.969 -6.718 2.044 1.00 0.00 C ATOM 909 O GLU A 60 9.326 -7.864 1.846 1.00 0.00 O ATOM 910 CB GLU A 60 10.705 -4.936 1.787 1.00 0.00 C ATOM 911 CG GLU A 60 11.594 -5.892 0.987 1.00 0.00 C ATOM 912 CD GLU A 60 12.470 -5.085 0.029 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.016 -4.051 -0.429 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.583 -5.514 -0.229 1.00 0.00 O ATOM 0 H GLU A 60 11.117 -7.353 3.370 1.00 0.00 H new ATOM 0 HA GLU A 60 9.234 -5.041 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.055 -4.379 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.321 -4.206 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.218 -6.478 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.979 -6.598 0.429 1.00 0.00 H new ATOM 921 N ILE A 61 7.814 -6.276 1.622 1.00 0.00 N ATOM 922 CA ILE A 61 6.869 -7.161 0.871 1.00 0.00 C ATOM 923 C ILE A 61 6.617 -6.554 -0.505 1.00 0.00 C ATOM 924 O ILE A 61 6.377 -5.369 -0.632 1.00 0.00 O ATOM 925 CB ILE A 61 5.555 -7.264 1.640 1.00 0.00 C ATOM 926 CG1 ILE A 61 5.816 -7.970 2.971 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.539 -8.062 0.820 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.573 -7.885 3.858 1.00 0.00 C ATOM 0 H ILE A 61 7.478 -5.324 1.767 1.00 0.00 H new ATOM 0 HA ILE A 61 7.296 -8.158 0.759 1.00 0.00 H new ATOM 0 HB ILE A 61 5.155 -6.267 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.076 -9.014 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.666 -7.511 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.602 -8.134 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.363 -7.558 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.928 -9.063 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.766 -8.390 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.332 -6.839 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.734 -8.365 3.355 1.00 0.00 H new ATOM 940 N ILE A 62 6.686 -7.351 -1.538 1.00 0.00 N ATOM 941 CA ILE A 62 6.473 -6.823 -2.921 1.00 0.00 C ATOM 942 C ILE A 62 5.118 -7.299 -3.440 1.00 0.00 C ATOM 943 O ILE A 62 4.802 -8.471 -3.401 1.00 0.00 O ATOM 944 CB ILE A 62 7.578 -7.356 -3.830 1.00 0.00 C ATOM 945 CG1 ILE A 62 8.950 -7.052 -3.207 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.476 -6.701 -5.210 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.070 -5.561 -2.869 1.00 0.00 C ATOM 0 H ILE A 62 6.882 -8.351 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 62 6.496 -5.733 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 62 7.465 -8.435 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.086 -7.647 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.742 -7.338 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.267 -7.085 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.506 -6.930 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.583 -5.621 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.048 -5.365 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.957 -4.971 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.291 -5.285 -2.159 1.00 0.00 H new ATOM 959 N THR A 63 4.316 -6.385 -3.926 1.00 0.00 N ATOM 960 CA THR A 63 2.967 -6.747 -4.455 1.00 0.00 C ATOM 961 C THR A 63 2.835 -6.268 -5.898 1.00 0.00 C ATOM 962 O THR A 63 3.068 -5.114 -6.208 1.00 0.00 O ATOM 963 CB THR A 63 1.897 -6.068 -3.600 1.00 0.00 C ATOM 964 OG1 THR A 63 1.944 -6.593 -2.280 1.00 0.00 O ATOM 965 CG2 THR A 63 0.516 -6.320 -4.207 1.00 0.00 C ATOM 0 H THR A 63 4.542 -5.392 -3.979 1.00 0.00 H new ATOM 0 HA THR A 63 2.841 -7.829 -4.420 1.00 0.00 H new ATOM 0 HB THR A 63 2.083 -4.994 -3.570 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.146 -7.138 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.244 -5.835 -3.595 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.483 -5.913 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.324 -7.392 -4.241 1.00 0.00 H new ATOM 973 N ARG A 64 2.453 -7.147 -6.785 1.00 0.00 N ATOM 974 CA ARG A 64 2.288 -6.755 -8.215 1.00 0.00 C ATOM 975 C ARG A 64 0.818 -6.426 -8.466 1.00 0.00 C ATOM 976 O ARG A 64 0.435 -6.008 -9.540 1.00 0.00 O ATOM 977 CB ARG A 64 2.718 -7.923 -9.108 1.00 0.00 C ATOM 978 CG ARG A 64 4.197 -8.267 -8.853 1.00 0.00 C ATOM 979 CD ARG A 64 5.108 -7.345 -9.674 1.00 0.00 C ATOM 980 NE ARG A 64 4.786 -7.494 -11.122 1.00 0.00 N ATOM 981 CZ ARG A 64 5.290 -8.487 -11.805 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.086 -9.341 -11.221 1.00 0.00 N ATOM 983 NH2 ARG A 64 4.999 -8.623 -13.070 1.00 0.00 N ATOM 0 H ARG A 64 2.247 -8.125 -6.580 1.00 0.00 H new ATOM 0 HA ARG A 64 2.903 -5.884 -8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.094 -8.794 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.573 -7.662 -10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.424 -8.163 -7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.386 -9.307 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.970 -6.309 -9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.154 -7.595 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 64 4.172 -6.820 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.314 -9.232 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.480 -10.117 -11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.378 -7.954 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.393 -9.398 -13.603 1.00 0.00 H new ATOM 997 N GLU A 65 -0.007 -6.608 -7.471 1.00 0.00 N ATOM 998 CA GLU A 65 -1.458 -6.306 -7.623 1.00 0.00 C ATOM 999 C GLU A 65 -1.707 -4.829 -7.321 1.00 0.00 C ATOM 1000 O GLU A 65 -2.071 -4.466 -6.220 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.261 -7.168 -6.648 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.182 -8.630 -7.083 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.923 -9.506 -6.070 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.493 -8.954 -5.145 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.909 -10.714 -6.242 1.00 0.00 O ATOM 0 H GLU A 65 0.265 -6.956 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.770 -6.524 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.869 -7.056 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.300 -6.839 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.621 -8.750 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.140 -8.943 -7.157 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.507 -3.975 -8.293 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.723 -2.508 -8.087 1.00 0.00 C ATOM 1014 C VAL A 66 -2.701 -1.998 -9.145 1.00 0.00 C ATOM 1015 O VAL A 66 -2.573 -2.299 -10.314 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.382 -1.779 -8.228 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.611 -0.265 -8.280 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.504 -2.116 -7.028 1.00 0.00 C ATOM 0 H VAL A 66 -1.200 -4.233 -9.231 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.132 -2.324 -7.093 1.00 0.00 H new ATOM 0 HB VAL A 66 0.105 -2.099 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.347 0.245 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.243 -0.022 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.101 0.061 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.459 -1.599 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.010 -1.797 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.675 -3.192 -6.993 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.677 -1.226 -8.739 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.678 -0.681 -9.710 1.00 0.00 C ATOM 1030 C LYS A 67 -4.767 0.835 -9.544 1.00 0.00 C ATOM 1031 O LYS A 67 -4.769 1.352 -8.443 1.00 0.00 O ATOM 1032 CB LYS A 67 -6.041 -1.312 -9.429 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.984 -2.803 -9.768 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.366 -3.428 -9.557 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.771 -3.338 -8.074 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.583 -2.107 -7.863 1.00 0.00 N ATOM 0 H LYS A 67 -3.826 -0.947 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.373 -0.914 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.310 -1.175 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.812 -0.821 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.665 -2.940 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.247 -3.302 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.103 -2.915 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.354 -4.470 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.344 -4.220 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.883 -3.315 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.143 -1.524 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.628 -1.565 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.545 -2.372 -7.570 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.831 1.554 -10.632 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.911 3.042 -10.548 1.00 0.00 C ATOM 1052 C GLY A 68 -6.374 3.481 -10.559 1.00 0.00 C ATOM 1053 O GLY A 68 -7.179 2.974 -11.316 1.00 0.00 O ATOM 0 H GLY A 68 -4.831 1.174 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.424 3.391 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.380 3.492 -11.387 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.714 4.435 -9.733 1.00 0.00 N ATOM 1058 CA LYS A 69 -8.119 4.943 -9.689 1.00 0.00 C ATOM 1059 C LYS A 69 -8.163 6.317 -10.360 1.00 0.00 C ATOM 1060 O LYS A 69 -7.702 7.311 -9.811 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.576 5.061 -8.233 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.912 3.670 -7.690 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.164 3.749 -6.181 1.00 0.00 C ATOM 1064 CE LYS A 69 -10.298 4.735 -5.894 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.862 4.460 -4.542 1.00 0.00 N ATOM 0 H LYS A 69 -6.074 4.888 -9.081 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.783 4.255 -10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.792 5.519 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.449 5.710 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.794 3.276 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.092 2.982 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.421 2.763 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.256 4.066 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.926 5.758 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.077 4.641 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.562 5.191 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.321 3.527 -4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.097 4.471 -3.838 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.704 6.364 -11.554 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.787 7.646 -12.312 1.00 0.00 C ATOM 1081 C PHE A 70 -10.183 8.245 -12.154 1.00 0.00 C ATOM 1082 O PHE A 70 -11.165 7.536 -12.051 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.548 7.370 -13.799 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.203 6.714 -13.988 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.054 7.499 -14.128 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.109 5.317 -14.029 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.809 6.887 -14.308 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.862 4.707 -14.208 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.713 5.492 -14.348 1.00 0.00 C ATOM 0 H PHE A 70 -9.096 5.557 -12.039 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.037 8.337 -11.928 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.335 6.725 -14.190 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.591 8.302 -14.363 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.128 8.576 -14.097 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.997 4.712 -13.923 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.921 7.492 -14.416 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.787 3.630 -14.238 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.751 5.021 -14.487 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.274 9.547 -12.144 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.597 10.230 -12.005 1.00 0.00 C ATOM 1101 C ILE A 71 -11.779 11.198 -13.172 1.00 0.00 C ATOM 1102 O ILE A 71 -10.866 11.909 -13.543 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.630 10.985 -10.676 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.534 9.973 -9.517 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.911 11.816 -10.567 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -12.711 8.984 -9.525 1.00 0.00 C ATOM 0 H ILE A 71 -9.477 10.178 -12.227 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.406 9.500 -12.018 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.783 11.669 -10.624 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.596 9.423 -9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.515 10.508 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.920 12.348 -9.616 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.949 12.535 -11.385 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.778 11.157 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.607 8.288 -8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.648 9.532 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.714 8.430 -10.464 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.945 11.206 -13.763 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.210 12.105 -14.928 1.00 0.00 C ATOM 1120 C ASN A 72 -12.542 13.469 -14.716 1.00 0.00 C ATOM 1121 O ASN A 72 -13.098 14.366 -14.110 1.00 0.00 O ATOM 1122 CB ASN A 72 -14.721 12.289 -15.081 1.00 0.00 C ATOM 1123 CG ASN A 72 -15.340 12.597 -13.716 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -14.695 13.162 -12.855 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -16.574 12.243 -13.480 1.00 0.00 N ATOM 0 H ASN A 72 -13.734 10.622 -13.486 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.796 11.654 -15.830 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.930 13.100 -15.778 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.167 11.387 -15.499 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.997 12.441 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.116 11.769 -14.203 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.343 13.620 -15.215 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.604 14.908 -15.062 1.00 0.00 C ATOM 1134 C GLY A 73 -9.105 14.613 -14.967 1.00 0.00 C ATOM 1135 O GLY A 73 -8.323 15.048 -15.790 1.00 0.00 O ATOM 0 H GLY A 73 -10.839 12.897 -15.728 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.806 15.561 -15.911 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.942 15.432 -14.168 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.697 13.868 -13.973 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.248 13.542 -13.834 1.00 0.00 C ATOM 1141 C ARG A 74 -7.054 12.565 -12.665 1.00 0.00 C ATOM 1142 O ARG A 74 -7.852 12.534 -11.749 1.00 0.00 O ATOM 1143 CB ARG A 74 -6.464 14.835 -13.568 1.00 0.00 C ATOM 1144 CG ARG A 74 -7.270 15.742 -12.632 1.00 0.00 C ATOM 1145 CD ARG A 74 -6.359 16.829 -12.054 1.00 0.00 C ATOM 1146 NE ARG A 74 -5.216 16.194 -11.339 1.00 0.00 N ATOM 1147 CZ ARG A 74 -5.413 15.589 -10.200 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -6.615 15.528 -9.692 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -4.410 15.042 -9.569 1.00 0.00 N ATOM 0 H ARG A 74 -9.303 13.473 -13.254 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.883 13.079 -14.751 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.498 14.601 -13.121 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.264 15.351 -14.507 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.097 16.199 -13.176 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.706 15.153 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.990 17.471 -12.853 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.922 17.464 -11.370 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.279 16.232 -11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.400 15.953 -10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.769 15.055 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.472 15.087 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.564 14.569 -8.679 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.001 11.775 -12.678 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.733 10.808 -11.577 1.00 0.00 C ATOM 1165 C PRO A 75 -5.947 11.436 -10.194 1.00 0.00 C ATOM 1166 O PRO A 75 -5.440 12.501 -9.899 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.255 10.432 -11.770 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.970 10.650 -13.227 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.971 11.702 -13.735 1.00 0.00 C ATOM 0 HA PRO A 75 -6.408 9.953 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.609 11.051 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.074 9.395 -11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.945 10.993 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.076 9.719 -13.783 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.489 12.668 -13.886 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.404 11.408 -14.691 1.00 0.00 H new ATOM 1177 N THR A 76 -6.699 10.774 -9.349 1.00 0.00 N ATOM 1178 CA THR A 76 -6.966 11.308 -7.977 1.00 0.00 C ATOM 1179 C THR A 76 -6.318 10.396 -6.937 1.00 0.00 C ATOM 1180 O THR A 76 -5.850 10.850 -5.912 1.00 0.00 O ATOM 1181 CB THR A 76 -8.475 11.345 -7.737 1.00 0.00 C ATOM 1182 OG1 THR A 76 -9.036 10.105 -8.130 1.00 0.00 O ATOM 1183 CG2 THR A 76 -9.095 12.476 -8.557 1.00 0.00 C ATOM 0 H THR A 76 -7.143 9.879 -9.553 1.00 0.00 H new ATOM 0 HA THR A 76 -6.551 12.312 -7.892 1.00 0.00 H new ATOM 0 HB THR A 76 -8.677 11.519 -6.680 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.725 9.839 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.171 12.502 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.656 13.427 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.900 12.307 -9.616 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.291 9.108 -7.176 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.672 8.202 -6.167 1.00 0.00 C ATOM 1193 C ALA A 77 -5.325 6.858 -6.802 1.00 0.00 C ATOM 1194 O ALA A 77 -5.722 6.556 -7.909 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.654 7.980 -5.013 1.00 0.00 C ATOM 0 H ALA A 77 -6.664 8.654 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.758 8.663 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.203 7.318 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.890 8.937 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.569 7.527 -5.396 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.586 6.050 -6.090 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.194 4.703 -6.607 1.00 0.00 C ATOM 1203 C ILE A 78 -4.474 3.658 -5.527 1.00 0.00 C ATOM 1204 O ILE A 78 -4.063 3.805 -4.395 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.701 4.702 -6.944 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.453 5.647 -8.125 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.246 3.282 -7.306 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.949 5.865 -8.306 1.00 0.00 C ATOM 0 H ILE A 78 -4.232 6.268 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.766 4.469 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.132 5.041 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.881 5.227 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.950 6.601 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.182 3.290 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.423 2.617 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.809 2.929 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.777 6.537 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.533 6.304 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.464 4.909 -8.501 1.00 0.00 H new ATOM 1220 N GLU A 79 -5.172 2.605 -5.873 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.487 1.535 -4.872 1.00 0.00 C ATOM 1222 C GLU A 79 -4.722 0.262 -5.223 1.00 0.00 C ATOM 1223 O GLU A 79 -4.442 -0.014 -6.372 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.990 1.244 -4.900 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.325 0.140 -3.894 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.840 -0.055 -3.841 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -9.546 0.813 -4.330 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -9.269 -1.067 -3.313 1.00 0.00 O ATOM 0 H GLU A 79 -5.540 2.438 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.194 1.872 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.549 2.148 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.292 0.939 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.837 -0.791 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.946 0.405 -2.907 1.00 0.00 H new ATOM 1235 N ALA A 80 -4.387 -0.518 -4.231 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.641 -1.787 -4.481 1.00 0.00 C ATOM 1237 C ALA A 80 -4.127 -2.848 -3.494 1.00 0.00 C ATOM 1238 O ALA A 80 -4.551 -2.538 -2.399 1.00 0.00 O ATOM 1239 CB ALA A 80 -2.144 -1.544 -4.279 1.00 0.00 C ATOM 0 H ALA A 80 -4.599 -0.330 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.815 -2.127 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.597 -2.469 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.803 -0.778 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.964 -1.211 -3.257 1.00 0.00 H new ATOM 1245 N THR A 81 -4.070 -4.099 -3.875 1.00 0.00 N ATOM 1246 CA THR A 81 -4.528 -5.201 -2.971 1.00 0.00 C ATOM 1247 C THR A 81 -3.318 -6.048 -2.576 1.00 0.00 C ATOM 1248 O THR A 81 -2.552 -6.473 -3.417 1.00 0.00 O ATOM 1249 CB THR A 81 -5.541 -6.070 -3.719 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.700 -5.301 -4.009 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.927 -7.272 -2.857 1.00 0.00 C ATOM 0 H THR A 81 -3.722 -4.408 -4.783 1.00 0.00 H new ATOM 0 HA THR A 81 -4.994 -4.787 -2.077 1.00 0.00 H new ATOM 0 HB THR A 81 -5.096 -6.424 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.349 -5.856 -4.490 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.649 -7.888 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.038 -7.863 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.370 -6.923 -1.924 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.134 -6.289 -1.300 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.961 -7.100 -0.836 1.00 0.00 C ATOM 1261 C VAL A 82 -2.468 -8.413 -0.239 1.00 0.00 C ATOM 1262 O VAL A 82 -3.388 -8.432 0.555 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.204 -6.316 0.233 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.092 -7.187 0.822 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.603 -5.056 -0.393 1.00 0.00 C ATOM 0 H VAL A 82 -3.748 -5.958 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.298 -7.310 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.890 -6.031 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.446 -6.624 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.528 -8.080 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.599 -7.479 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.062 -4.494 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.083 -5.338 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.401 -4.437 -0.802 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.880 -9.513 -0.628 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.327 -10.836 -0.103 1.00 0.00 C ATOM 1277 C ILE A 83 -1.503 -11.211 1.130 1.00 0.00 C ATOM 1278 O ILE A 83 -0.288 -11.216 1.101 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.132 -11.891 -1.189 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.697 -11.369 -2.517 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.847 -13.185 -0.794 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.134 -10.870 -2.321 1.00 0.00 C ATOM 0 H ILE A 83 -1.105 -9.552 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.379 -10.782 0.177 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.068 -12.096 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.071 -10.560 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.678 -12.161 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.703 -13.933 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.436 -13.556 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.912 -12.989 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.524 -10.502 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.758 -11.690 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.142 -10.063 -1.588 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.167 -11.530 2.211 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.456 -11.917 3.469 1.00 0.00 C ATOM 1296 C LEU A 84 -1.741 -13.390 3.757 1.00 0.00 C ATOM 1297 O LEU A 84 -1.963 -13.788 4.884 1.00 0.00 O ATOM 1298 CB LEU A 84 -1.971 -11.045 4.617 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.782 -9.563 4.258 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.361 -8.692 5.378 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.287 -9.249 4.083 1.00 0.00 C ATOM 0 H LEU A 84 -3.185 -11.539 2.277 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.381 -11.771 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.025 -11.254 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.433 -11.279 5.536 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.300 -9.352 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.228 -7.640 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.423 -8.906 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.844 -8.909 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.164 -8.196 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.241 -9.462 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.123 -9.866 3.283 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.740 -14.198 2.733 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.013 -15.651 2.911 1.00 0.00 C ATOM 1315 C ASN A 85 -0.934 -16.273 3.797 1.00 0.00 C ATOM 1316 O ASN A 85 -1.203 -17.119 4.624 1.00 0.00 O ATOM 1317 CB ASN A 85 -1.999 -16.343 1.543 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.280 -16.008 0.783 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -4.234 -15.531 1.362 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -3.342 -16.245 -0.498 1.00 0.00 N ATOM 0 H ASN A 85 -1.560 -13.910 1.771 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.989 -15.779 3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.130 -16.020 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.913 -17.422 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.194 -16.029 -1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.539 -16.646 -0.982 1.00 0.00 H new ATOM 1327 N SER A 86 0.292 -15.871 3.613 1.00 0.00 N ATOM 1328 CA SER A 86 1.396 -16.450 4.426 1.00 0.00 C ATOM 1329 C SER A 86 1.242 -16.054 5.900 1.00 0.00 C ATOM 1330 O SER A 86 0.726 -15.004 6.231 1.00 0.00 O ATOM 1331 CB SER A 86 2.734 -15.931 3.895 1.00 0.00 C ATOM 1332 OG SER A 86 3.074 -16.639 2.710 1.00 0.00 O ATOM 0 H SER A 86 0.577 -15.166 2.934 1.00 0.00 H new ATOM 0 HA SER A 86 1.361 -17.537 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.667 -14.863 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.512 -16.062 4.647 1.00 0.00 H new ATOM 0 HG SER A 86 3.930 -16.308 2.366 1.00 0.00 H new ATOM 1338 N GLN A 87 1.704 -16.903 6.779 1.00 0.00 N ATOM 1339 CA GLN A 87 1.626 -16.626 8.243 1.00 0.00 C ATOM 1340 C GLN A 87 2.647 -15.538 8.633 1.00 0.00 C ATOM 1341 O GLN A 87 2.274 -14.516 9.177 1.00 0.00 O ATOM 1342 CB GLN A 87 1.920 -17.927 9.019 1.00 0.00 C ATOM 1343 CG GLN A 87 0.612 -18.666 9.329 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.149 -18.925 8.027 1.00 0.00 C ATOM 1345 OE1 GLN A 87 0.245 -19.757 7.234 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.232 -18.242 7.772 1.00 0.00 N ATOM 0 H GLN A 87 2.140 -17.793 6.539 1.00 0.00 H new ATOM 0 HA GLN A 87 0.627 -16.269 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.578 -18.568 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.444 -17.695 9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.825 -19.609 9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.000 -18.074 10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.563 -17.544 8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.747 -18.407 6.907 1.00 0.00 H new ATOM 1355 N PRO A 88 3.924 -15.737 8.369 1.00 0.00 N ATOM 1356 CA PRO A 88 4.968 -14.730 8.728 1.00 0.00 C ATOM 1357 C PRO A 88 4.632 -13.350 8.155 1.00 0.00 C ATOM 1358 O PRO A 88 4.890 -12.332 8.766 1.00 0.00 O ATOM 1359 CB PRO A 88 6.271 -15.298 8.113 1.00 0.00 C ATOM 1360 CG PRO A 88 5.822 -16.345 7.143 1.00 0.00 C ATOM 1361 CD PRO A 88 4.529 -16.913 7.716 1.00 0.00 C ATOM 0 HA PRO A 88 5.050 -14.581 9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.843 -14.517 7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.916 -15.724 8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.657 -15.917 6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.576 -17.124 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.885 -17.321 6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.719 -17.718 8.426 1.00 0.00 H new ATOM 1369 N GLU A 89 4.041 -13.313 6.996 1.00 0.00 N ATOM 1370 CA GLU A 89 3.668 -12.006 6.395 1.00 0.00 C ATOM 1371 C GLU A 89 2.577 -11.354 7.248 1.00 0.00 C ATOM 1372 O GLU A 89 2.572 -10.158 7.459 1.00 0.00 O ATOM 1373 CB GLU A 89 3.146 -12.236 4.973 1.00 0.00 C ATOM 1374 CG GLU A 89 4.282 -12.756 4.083 1.00 0.00 C ATOM 1375 CD GLU A 89 5.361 -11.681 3.951 1.00 0.00 C ATOM 1376 OE1 GLU A 89 5.055 -10.532 4.223 1.00 0.00 O ATOM 1377 OE2 GLU A 89 6.474 -12.025 3.589 1.00 0.00 O ATOM 0 H GLU A 89 3.800 -14.132 6.438 1.00 0.00 H new ATOM 0 HA GLU A 89 4.539 -11.351 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.325 -12.953 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.749 -11.306 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.708 -13.663 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.895 -13.020 3.099 1.00 0.00 H new ATOM 1384 N TRP A 90 1.654 -12.135 7.739 1.00 0.00 N ATOM 1385 CA TRP A 90 0.561 -11.567 8.580 1.00 0.00 C ATOM 1386 C TRP A 90 1.174 -10.962 9.852 1.00 0.00 C ATOM 1387 O TRP A 90 0.824 -9.872 10.264 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.438 -12.697 8.938 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.745 -12.487 8.231 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.385 -13.412 7.482 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.568 -11.287 8.195 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.552 -12.856 6.991 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.711 -11.547 7.404 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.435 -10.011 8.770 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.688 -10.574 7.189 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -3.413 -9.029 8.557 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.539 -9.309 7.768 1.00 0.00 C ATOM 0 H TRP A 90 1.609 -13.144 7.594 1.00 0.00 H new ATOM 0 HA TRP A 90 0.028 -10.785 8.039 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.018 -13.663 8.659 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.600 -12.719 10.016 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.042 -14.419 7.297 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.215 -13.352 6.396 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.573 -9.785 9.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.552 -10.796 6.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.299 -8.052 9.003 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.290 -8.549 7.608 1.00 0.00 H new ATOM 1408 N ASP A 91 2.079 -11.662 10.470 1.00 0.00 N ATOM 1409 CA ASP A 91 2.709 -11.136 11.710 1.00 0.00 C ATOM 1410 C ASP A 91 3.455 -9.839 11.383 1.00 0.00 C ATOM 1411 O ASP A 91 3.377 -8.866 12.109 1.00 0.00 O ATOM 1412 CB ASP A 91 3.691 -12.177 12.250 1.00 0.00 C ATOM 1413 CG ASP A 91 4.321 -11.666 13.545 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.061 -10.529 13.898 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.050 -12.424 14.162 1.00 0.00 O ATOM 0 H ASP A 91 2.411 -12.578 10.170 1.00 0.00 H new ATOM 0 HA ASP A 91 1.946 -10.933 12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.174 -13.119 12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.467 -12.377 11.511 1.00 0.00 H new ATOM 1420 N ARG A 92 4.169 -9.817 10.293 1.00 0.00 N ATOM 1421 CA ARG A 92 4.914 -8.585 9.910 1.00 0.00 C ATOM 1422 C ARG A 92 3.913 -7.466 9.617 1.00 0.00 C ATOM 1423 O ARG A 92 4.099 -6.332 10.008 1.00 0.00 O ATOM 1424 CB ARG A 92 5.755 -8.869 8.664 1.00 0.00 C ATOM 1425 CG ARG A 92 6.590 -7.637 8.313 1.00 0.00 C ATOM 1426 CD ARG A 92 7.445 -7.941 7.083 1.00 0.00 C ATOM 1427 NE ARG A 92 8.472 -8.961 7.431 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.291 -9.404 6.515 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.207 -8.955 5.293 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.194 -10.294 6.823 1.00 0.00 N ATOM 0 H ARG A 92 4.269 -10.601 9.649 1.00 0.00 H new ATOM 0 HA ARG A 92 5.571 -8.279 10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.408 -9.724 8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.107 -9.131 7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.938 -6.786 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.227 -7.363 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.816 -8.305 6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.927 -7.030 6.728 1.00 0.00 H new ATOM 0 HE ARG A 92 8.536 -9.314 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.502 -8.258 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.846 -9.301 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.260 -10.644 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.834 -10.640 6.108 1.00 0.00 H new ATOM 1444 N PHE A 93 2.853 -7.784 8.929 1.00 0.00 N ATOM 1445 CA PHE A 93 1.833 -6.749 8.604 1.00 0.00 C ATOM 1446 C PHE A 93 1.269 -6.158 9.899 1.00 0.00 C ATOM 1447 O PHE A 93 1.146 -4.957 10.044 1.00 0.00 O ATOM 1448 CB PHE A 93 0.701 -7.398 7.803 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.421 -6.406 7.608 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -1.390 -6.256 8.605 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.495 -5.646 6.436 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -2.434 -5.343 8.432 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.541 -4.732 6.262 1.00 0.00 C ATOM 1454 CZ PHE A 93 -2.510 -4.580 7.260 1.00 0.00 C ATOM 0 H PHE A 93 2.648 -8.719 8.577 1.00 0.00 H new ATOM 0 HA PHE A 93 2.292 -5.953 8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.074 -7.734 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.332 -8.280 8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.332 -6.845 9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.254 -5.764 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.182 -5.226 9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.600 -4.144 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.317 -3.874 7.126 1.00 0.00 H new ATOM 1464 N MET A 94 0.917 -6.993 10.836 1.00 0.00 N ATOM 1465 CA MET A 94 0.353 -6.479 12.115 1.00 0.00 C ATOM 1466 C MET A 94 1.391 -5.584 12.799 1.00 0.00 C ATOM 1467 O MET A 94 1.087 -4.501 13.257 1.00 0.00 O ATOM 1468 CB MET A 94 0.009 -7.669 13.019 1.00 0.00 C ATOM 1469 CG MET A 94 -0.643 -7.179 14.316 1.00 0.00 C ATOM 1470 SD MET A 94 -2.234 -6.403 13.935 1.00 0.00 S ATOM 1471 CE MET A 94 -3.252 -7.894 14.066 1.00 0.00 C ATOM 0 H MET A 94 0.995 -8.008 10.772 1.00 0.00 H new ATOM 0 HA MET A 94 -0.549 -5.897 11.923 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.667 -8.347 12.498 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.913 -8.233 13.249 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.788 -8.014 15.001 1.00 0.00 H new ATOM 0 HG3 MET A 94 0.011 -6.466 14.818 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.293 -7.642 13.865 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.911 -8.633 13.341 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.166 -8.306 15.071 1.00 0.00 H new ATOM 1481 N ARG A 95 2.615 -6.033 12.868 1.00 0.00 N ATOM 1482 CA ARG A 95 3.673 -5.211 13.520 1.00 0.00 C ATOM 1483 C ARG A 95 3.893 -3.933 12.704 1.00 0.00 C ATOM 1484 O ARG A 95 4.023 -2.852 13.241 1.00 0.00 O ATOM 1485 CB ARG A 95 4.971 -6.022 13.577 1.00 0.00 C ATOM 1486 CG ARG A 95 4.823 -7.152 14.599 1.00 0.00 C ATOM 1487 CD ARG A 95 6.069 -8.038 14.562 1.00 0.00 C ATOM 1488 NE ARG A 95 7.259 -7.238 14.966 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.454 -7.755 14.879 1.00 0.00 C ATOM 1490 NH1 ARG A 95 8.609 -8.978 14.450 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.495 -7.049 15.225 1.00 0.00 N ATOM 0 H ARG A 95 2.927 -6.932 12.501 1.00 0.00 H new ATOM 0 HA ARG A 95 3.368 -4.943 14.532 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.198 -6.434 12.594 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.804 -5.376 13.852 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.688 -6.738 15.598 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.936 -7.744 14.376 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.944 -8.888 15.233 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.212 -8.441 13.560 1.00 0.00 H new ATOM 0 HE ARG A 95 7.140 -6.286 15.311 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.795 -9.531 14.182 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.544 -9.380 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.374 -6.094 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.430 -7.452 15.158 1.00 0.00 H new ATOM 1505 N PHE A 96 3.929 -4.057 11.406 1.00 0.00 N ATOM 1506 CA PHE A 96 4.132 -2.863 10.536 1.00 0.00 C ATOM 1507 C PHE A 96 2.974 -1.882 10.731 1.00 0.00 C ATOM 1508 O PHE A 96 3.166 -0.686 10.831 1.00 0.00 O ATOM 1509 CB PHE A 96 4.192 -3.305 9.074 1.00 0.00 C ATOM 1510 CG PHE A 96 4.396 -2.096 8.190 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.610 -1.403 8.230 1.00 0.00 C ATOM 1512 CD2 PHE A 96 3.377 -1.676 7.326 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.807 -0.289 7.407 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.573 -0.561 6.504 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.789 0.132 6.544 1.00 0.00 C ATOM 0 H PHE A 96 3.826 -4.940 10.907 1.00 0.00 H new ATOM 0 HA PHE A 96 5.067 -2.372 10.805 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.006 -4.015 8.931 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.270 -3.818 8.800 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.395 -1.728 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.440 -2.213 7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.745 0.246 7.438 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.787 -0.235 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.941 0.992 5.909 1.00 0.00 H new ATOM 1525 N MET A 97 1.772 -2.383 10.772 1.00 0.00 N ATOM 1526 CA MET A 97 0.593 -1.492 10.942 1.00 0.00 C ATOM 1527 C MET A 97 0.714 -0.712 12.249 1.00 0.00 C ATOM 1528 O MET A 97 0.429 0.469 12.306 1.00 0.00 O ATOM 1529 CB MET A 97 -0.673 -2.352 10.978 1.00 0.00 C ATOM 1530 CG MET A 97 -1.904 -1.456 11.100 1.00 0.00 C ATOM 1531 SD MET A 97 -3.394 -2.478 11.008 1.00 0.00 S ATOM 1532 CE MET A 97 -4.596 -1.132 11.117 1.00 0.00 C ATOM 0 H MET A 97 1.555 -3.377 10.695 1.00 0.00 H new ATOM 0 HA MET A 97 0.544 -0.787 10.112 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.739 -2.956 10.073 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.630 -3.043 11.820 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.880 -0.911 12.044 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.908 -0.713 10.303 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.605 -1.542 11.079 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.458 -0.596 12.056 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.451 -0.446 10.282 1.00 0.00 H new ATOM 1542 N GLU A 98 1.123 -1.360 13.302 1.00 0.00 N ATOM 1543 CA GLU A 98 1.249 -0.650 14.604 1.00 0.00 C ATOM 1544 C GLU A 98 2.354 0.408 14.523 1.00 0.00 C ATOM 1545 O GLU A 98 2.176 1.537 14.940 1.00 0.00 O ATOM 1546 CB GLU A 98 1.591 -1.667 15.695 1.00 0.00 C ATOM 1547 CG GLU A 98 0.399 -2.603 15.910 1.00 0.00 C ATOM 1548 CD GLU A 98 0.770 -3.663 16.949 1.00 0.00 C ATOM 1549 OE1 GLU A 98 1.882 -3.613 17.444 1.00 0.00 O ATOM 1550 OE2 GLU A 98 -0.066 -4.506 17.229 1.00 0.00 O ATOM 0 H GLU A 98 1.375 -2.348 13.318 1.00 0.00 H new ATOM 0 HA GLU A 98 0.306 -0.156 14.839 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.472 -2.242 15.408 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.835 -1.152 16.624 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.468 -2.035 16.247 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.122 -3.080 14.970 1.00 0.00 H new ATOM 1557 N ARG A 99 3.497 0.055 14.000 1.00 0.00 N ATOM 1558 CA ARG A 99 4.615 1.041 13.904 1.00 0.00 C ATOM 1559 C ARG A 99 4.260 2.140 12.897 1.00 0.00 C ATOM 1560 O ARG A 99 4.504 3.311 13.123 1.00 0.00 O ATOM 1561 CB ARG A 99 5.880 0.317 13.436 1.00 0.00 C ATOM 1562 CG ARG A 99 6.395 -0.595 14.552 1.00 0.00 C ATOM 1563 CD ARG A 99 7.634 -1.346 14.058 1.00 0.00 C ATOM 1564 NE ARG A 99 8.126 -2.261 15.130 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.951 -1.824 16.044 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.335 -0.577 16.039 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.389 -2.637 16.968 1.00 0.00 N ATOM 0 H ARG A 99 3.706 -0.874 13.634 1.00 0.00 H new ATOM 0 HA ARG A 99 4.782 1.493 14.882 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.665 -0.270 12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.646 1.043 13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.641 -0.005 15.435 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.620 -1.302 14.846 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.392 -1.917 13.161 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.416 -0.638 13.784 1.00 0.00 H new ATOM 0 HE ARG A 99 7.816 -3.233 15.149 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.991 0.060 15.320 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.979 -0.239 16.754 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.087 -3.611 16.975 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.033 -2.298 17.682 1.00 0.00 H new ATOM 1581 N TYR A 100 3.696 1.766 11.783 1.00 0.00 N ATOM 1582 CA TYR A 100 3.327 2.767 10.742 1.00 0.00 C ATOM 1583 C TYR A 100 2.293 3.751 11.293 1.00 0.00 C ATOM 1584 O TYR A 100 2.406 4.950 11.112 1.00 0.00 O ATOM 1585 CB TYR A 100 2.743 2.025 9.537 1.00 0.00 C ATOM 1586 CG TYR A 100 2.262 3.013 8.500 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.182 3.669 7.674 1.00 0.00 C ATOM 1588 CD2 TYR A 100 0.891 3.262 8.358 1.00 0.00 C ATOM 1589 CE1 TYR A 100 2.731 4.576 6.707 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.440 4.165 7.390 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.360 4.823 6.565 1.00 0.00 C ATOM 1592 OH TYR A 100 0.915 5.711 5.610 1.00 0.00 O ATOM 0 H TYR A 100 3.472 0.799 11.546 1.00 0.00 H new ATOM 0 HA TYR A 100 4.213 3.328 10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.498 1.370 9.103 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.916 1.391 9.857 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.239 3.476 7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.182 2.756 8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.440 5.085 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.617 4.355 7.279 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.031 5.539 5.419 1.00 0.00 H new ATOM 1602 N GLY A 101 1.281 3.260 11.950 1.00 0.00 N ATOM 1603 CA GLY A 101 0.233 4.168 12.496 1.00 0.00 C ATOM 1604 C GLY A 101 0.842 5.113 13.532 1.00 0.00 C ATOM 1605 O GLY A 101 0.458 6.264 13.633 1.00 0.00 O ATOM 0 H GLY A 101 1.133 2.268 12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.217 4.744 11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.565 3.582 12.952 1.00 0.00 H new ATOM 1609 N ALA A 102 1.781 4.648 14.308 1.00 0.00 N ATOM 1610 CA ALA A 102 2.395 5.537 15.331 1.00 0.00 C ATOM 1611 C ALA A 102 3.051 6.728 14.629 1.00 0.00 C ATOM 1612 O ALA A 102 2.876 7.864 15.021 1.00 0.00 O ATOM 1613 CB ALA A 102 3.449 4.758 16.122 1.00 0.00 C ATOM 0 H ALA A 102 2.148 3.697 14.278 1.00 0.00 H new ATOM 0 HA ALA A 102 1.627 5.895 16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.898 5.411 16.871 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.978 3.908 16.616 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.222 4.400 15.443 1.00 0.00 H new ATOM 1619 N GLU A 103 3.795 6.473 13.589 1.00 0.00 N ATOM 1620 CA GLU A 103 4.451 7.590 12.852 1.00 0.00 C ATOM 1621 C GLU A 103 3.382 8.406 12.118 1.00 0.00 C ATOM 1622 O GLU A 103 3.325 9.616 12.231 1.00 0.00 O ATOM 1623 CB GLU A 103 5.449 7.012 11.842 1.00 0.00 C ATOM 1624 CG GLU A 103 6.711 6.539 12.572 1.00 0.00 C ATOM 1625 CD GLU A 103 6.391 5.300 13.412 1.00 0.00 C ATOM 1626 OE1 GLU A 103 5.807 5.460 14.470 1.00 0.00 O ATOM 1627 OE2 GLU A 103 6.742 4.213 12.985 1.00 0.00 O ATOM 0 H GLU A 103 3.977 5.541 13.217 1.00 0.00 H new ATOM 0 HA GLU A 103 4.981 8.236 13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.995 6.180 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.708 7.767 11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.494 6.308 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.092 7.335 13.212 1.00 0.00 H new ATOM 1634 N ASN A 104 2.527 7.751 11.377 1.00 0.00 N ATOM 1635 CA ASN A 104 1.453 8.481 10.646 1.00 0.00 C ATOM 1636 C ASN A 104 0.490 7.472 10.014 1.00 0.00 C ATOM 1637 O ASN A 104 0.703 6.277 10.074 1.00 0.00 O ATOM 1638 CB ASN A 104 2.070 9.353 9.551 1.00 0.00 C ATOM 1639 CG ASN A 104 2.844 8.478 8.561 1.00 0.00 C ATOM 1640 OD1 ASN A 104 2.710 7.271 8.563 1.00 0.00 O ATOM 1641 ND2 ASN A 104 3.657 9.044 7.709 1.00 0.00 N ATOM 0 H ASN A 104 2.527 6.739 11.247 1.00 0.00 H new ATOM 0 HA ASN A 104 0.910 9.116 11.346 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.288 9.903 9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.737 10.092 9.995 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.179 8.472 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.769 10.058 7.708 1.00 0.00 H new ATOM 1648 N GLY A 105 -0.570 7.950 9.401 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.561 7.036 8.746 1.00 0.00 C ATOM 1650 C GLY A 105 -2.978 7.335 9.256 1.00 0.00 C ATOM 1651 O GLY A 105 -3.312 8.453 9.594 1.00 0.00 O ATOM 0 H GLY A 105 -0.792 8.943 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.522 7.162 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.303 5.998 8.956 1.00 0.00 H new ATOM 1655 N LEU A 106 -3.805 6.323 9.306 1.00 0.00 N ATOM 1656 CA LEU A 106 -5.212 6.489 9.784 1.00 0.00 C ATOM 1657 C LEU A 106 -5.942 7.555 8.964 1.00 0.00 C ATOM 1658 O LEU A 106 -5.566 7.874 7.853 1.00 0.00 O ATOM 1659 CB LEU A 106 -5.239 6.900 11.258 1.00 0.00 C ATOM 1660 CG LEU A 106 -4.428 5.905 12.113 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -2.912 6.176 11.997 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -4.871 6.036 13.577 1.00 0.00 C ATOM 0 H LEU A 106 -3.561 5.372 9.031 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.714 5.529 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.827 7.903 11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.269 6.937 11.612 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.615 4.894 11.751 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.366 5.459 12.610 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.603 6.073 10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.696 7.187 12.342 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.305 5.337 14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.689 7.054 13.923 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.934 5.810 13.657 1.00 0.00 H new ATOM 1674 N GLY A 107 -7.003 8.091 9.509 1.00 0.00 N ATOM 1675 CA GLY A 107 -7.794 9.123 8.780 1.00 0.00 C ATOM 1676 C GLY A 107 -7.040 10.453 8.746 1.00 0.00 C ATOM 1677 O GLY A 107 -6.826 11.079 9.767 1.00 0.00 O ATOM 0 H GLY A 107 -7.357 7.855 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.993 8.785 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.760 9.259 9.266 1.00 0.00 H new ATOM 1681 N PHE A 108 -6.658 10.892 7.571 1.00 0.00 N ATOM 1682 CA PHE A 108 -5.930 12.191 7.430 1.00 0.00 C ATOM 1683 C PHE A 108 -4.923 12.361 8.577 1.00 0.00 C ATOM 1684 O PHE A 108 -5.255 12.825 9.650 1.00 0.00 O ATOM 1685 CB PHE A 108 -6.943 13.340 7.447 1.00 0.00 C ATOM 1686 CG PHE A 108 -7.791 13.264 6.199 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -7.334 13.834 5.005 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -9.032 12.612 6.232 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -8.115 13.754 3.845 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -9.814 12.535 5.072 1.00 0.00 C ATOM 1691 CZ PHE A 108 -9.355 13.104 3.878 1.00 0.00 C ATOM 0 H PHE A 108 -6.822 10.399 6.693 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.385 12.200 6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.572 13.275 8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -6.425 14.298 7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.378 14.336 4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.385 12.169 7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.761 14.194 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -10.772 12.036 5.099 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.957 13.042 2.983 1.00 0.00 H new ATOM 1701 N SER A 109 -3.698 11.973 8.350 1.00 0.00 N ATOM 1702 CA SER A 109 -2.658 12.084 9.413 1.00 0.00 C ATOM 1703 C SER A 109 -2.288 13.547 9.644 1.00 0.00 C ATOM 1704 O SER A 109 -2.580 14.414 8.844 1.00 0.00 O ATOM 1705 CB SER A 109 -1.410 11.321 8.979 1.00 0.00 C ATOM 1706 OG SER A 109 -1.787 10.033 8.510 1.00 0.00 O ATOM 0 H SER A 109 -3.370 11.581 7.467 1.00 0.00 H new ATOM 0 HA SER A 109 -3.055 11.665 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.889 11.869 8.193 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.717 11.228 9.815 1.00 0.00 H new ATOM 0 HG SER A 109 -2.585 9.730 8.992 1.00 0.00 H new ATOM 1712 N LYS A 110 -1.639 13.824 10.745 1.00 0.00 N ATOM 1713 CA LYS A 110 -1.229 15.224 11.060 1.00 0.00 C ATOM 1714 C LYS A 110 0.224 15.446 10.625 1.00 0.00 C ATOM 1715 O LYS A 110 0.629 16.550 10.315 1.00 0.00 O ATOM 1716 CB LYS A 110 -1.353 15.447 12.572 1.00 0.00 C ATOM 1717 CG LYS A 110 -0.361 14.543 13.316 1.00 0.00 C ATOM 1718 CD LYS A 110 -0.584 14.675 14.823 1.00 0.00 C ATOM 1719 CE LYS A 110 0.499 13.894 15.571 1.00 0.00 C ATOM 1720 NZ LYS A 110 0.342 12.436 15.301 1.00 0.00 N ATOM 0 H LYS A 110 -1.373 13.132 11.446 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.871 15.926 10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.156 16.492 12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.370 15.231 12.898 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.495 13.506 13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.662 14.822 13.063 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.557 15.725 15.115 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.570 14.296 15.090 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.487 14.228 15.254 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.426 14.086 16.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.925 11.894 15.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.656 12.167 15.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.647 12.228 14.329 1.00 0.00 H new ATOM 1734 N SER A 111 1.013 14.407 10.620 1.00 0.00 N ATOM 1735 CA SER A 111 2.445 14.551 10.225 1.00 0.00 C ATOM 1736 C SER A 111 2.556 14.759 8.712 1.00 0.00 C ATOM 1737 O SER A 111 1.877 14.114 7.938 1.00 0.00 O ATOM 1738 CB SER A 111 3.202 13.284 10.621 1.00 0.00 C ATOM 1739 OG SER A 111 4.550 13.384 10.184 1.00 0.00 O ATOM 0 H SER A 111 0.728 13.461 10.873 1.00 0.00 H new ATOM 0 HA SER A 111 2.873 15.415 10.733 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.168 13.149 11.702 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.728 12.409 10.176 1.00 0.00 H new ATOM 0 HG SER A 111 5.037 12.573 10.439 1.00 0.00 H new ATOM 1745 N GLU A 112 3.421 15.652 8.291 1.00 0.00 N ATOM 1746 CA GLU A 112 3.609 15.919 6.828 1.00 0.00 C ATOM 1747 C GLU A 112 2.328 16.503 6.221 1.00 0.00 C ATOM 1748 O GLU A 112 2.372 17.258 5.268 1.00 0.00 O ATOM 1749 CB GLU A 112 3.968 14.615 6.102 1.00 0.00 C ATOM 1750 CG GLU A 112 4.541 14.936 4.719 1.00 0.00 C ATOM 1751 CD GLU A 112 5.937 15.542 4.878 1.00 0.00 C ATOM 1752 OE1 GLU A 112 6.425 15.566 5.996 1.00 0.00 O ATOM 1753 OE2 GLU A 112 6.492 15.972 3.881 1.00 0.00 O ATOM 0 H GLU A 112 4.011 16.213 8.905 1.00 0.00 H new ATOM 0 HA GLU A 112 4.419 16.639 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.695 14.051 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.083 13.987 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.592 14.030 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.887 15.633 4.195 1.00 0.00 H new ATOM 1760 N LEU A 113 1.190 16.145 6.746 1.00 0.00 N ATOM 1761 CA LEU A 113 -0.089 16.660 6.189 1.00 0.00 C ATOM 1762 C LEU A 113 -0.162 18.189 6.363 1.00 0.00 C ATOM 1763 O LEU A 113 -0.558 18.907 5.465 1.00 0.00 O ATOM 1764 CB LEU A 113 -1.246 15.980 6.939 1.00 0.00 C ATOM 1765 CG LEU A 113 -2.479 15.843 6.031 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -2.848 17.210 5.444 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -2.194 14.839 4.885 1.00 0.00 C ATOM 0 H LEU A 113 1.092 15.514 7.541 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.155 16.437 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.932 14.995 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -1.503 16.562 7.824 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.313 15.470 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.722 17.106 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.073 17.905 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.012 17.593 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.076 14.752 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.352 15.195 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.953 13.863 5.307 1.00 0.00 H new ATOM 1779 N GLU A 114 0.211 18.688 7.515 1.00 0.00 N ATOM 1780 CA GLU A 114 0.152 20.166 7.750 1.00 0.00 C ATOM 1781 C GLU A 114 1.437 20.828 7.242 1.00 0.00 C ATOM 1782 O GLU A 114 2.510 20.259 7.299 1.00 0.00 O ATOM 1783 CB GLU A 114 -0.022 20.437 9.257 1.00 0.00 C ATOM 1784 CG GLU A 114 -1.504 20.331 9.635 1.00 0.00 C ATOM 1785 CD GLU A 114 -1.978 18.893 9.434 1.00 0.00 C ATOM 1786 OE1 GLU A 114 -1.186 17.991 9.656 1.00 0.00 O ATOM 1787 OE2 GLU A 114 -3.123 18.716 9.051 1.00 0.00 O ATOM 0 H GLU A 114 0.554 18.138 8.303 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.695 20.586 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.562 19.721 9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.356 21.429 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.648 20.631 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.096 21.010 9.022 1.00 0.00 H new ATOM 1794 N HIS A 115 1.322 22.034 6.736 1.00 0.00 N ATOM 1795 CA HIS A 115 2.513 22.768 6.203 1.00 0.00 C ATOM 1796 C HIS A 115 2.833 23.964 7.105 1.00 0.00 C ATOM 1797 O HIS A 115 2.266 24.125 8.169 1.00 0.00 O ATOM 1798 CB HIS A 115 2.191 23.282 4.799 1.00 0.00 C ATOM 1799 CG HIS A 115 1.825 22.128 3.910 1.00 0.00 C ATOM 1800 ND1 HIS A 115 0.515 21.703 3.754 1.00 0.00 N ATOM 1801 CD2 HIS A 115 2.585 21.301 3.122 1.00 0.00 C ATOM 1802 CE1 HIS A 115 0.526 20.664 2.899 1.00 0.00 C ATOM 1803 NE2 HIS A 115 1.762 20.376 2.483 1.00 0.00 N ATOM 0 H HIS A 115 0.442 22.546 6.669 1.00 0.00 H new ATOM 0 HA HIS A 115 3.370 22.095 6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 115 1.368 23.996 4.842 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.051 23.811 4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.658 21.358 3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.358 20.128 2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.043 19.638 1.837 1.00 0.00 H new ATOM 1811 N HIS A 116 3.737 24.805 6.673 1.00 0.00 N ATOM 1812 CA HIS A 116 4.113 26.008 7.474 1.00 0.00 C ATOM 1813 C HIS A 116 4.544 25.605 8.882 1.00 0.00 C ATOM 1814 O HIS A 116 4.621 24.439 9.215 1.00 0.00 O ATOM 1815 CB HIS A 116 2.923 26.965 7.559 1.00 0.00 C ATOM 1816 CG HIS A 116 2.610 27.493 6.189 1.00 0.00 C ATOM 1817 ND1 HIS A 116 1.761 26.830 5.318 1.00 0.00 N ATOM 1818 CD2 HIS A 116 3.028 28.618 5.522 1.00 0.00 C ATOM 1819 CE1 HIS A 116 1.694 27.556 4.187 1.00 0.00 C ATOM 1820 NE2 HIS A 116 2.447 28.657 4.258 1.00 0.00 N ATOM 0 H HIS A 116 4.236 24.708 5.789 1.00 0.00 H new ATOM 0 HA HIS A 116 4.949 26.504 6.980 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.055 26.448 7.969 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.152 27.789 8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.705 29.360 5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.103 27.282 3.326 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.570 29.372 3.541 1.00 0.00 H new ATOM 1828 N HIS A 117 4.837 26.574 9.705 1.00 0.00 N ATOM 1829 CA HIS A 117 5.282 26.281 11.094 1.00 0.00 C ATOM 1830 C HIS A 117 4.087 25.887 11.965 1.00 0.00 C ATOM 1831 O HIS A 117 3.002 26.424 11.839 1.00 0.00 O ATOM 1832 CB HIS A 117 5.949 27.526 11.679 1.00 0.00 C ATOM 1833 CG HIS A 117 7.214 27.814 10.919 1.00 0.00 C ATOM 1834 ND1 HIS A 117 8.396 27.137 11.173 1.00 0.00 N ATOM 1835 CD2 HIS A 117 7.498 28.697 9.907 1.00 0.00 C ATOM 1836 CE1 HIS A 117 9.327 27.617 10.331 1.00 0.00 C ATOM 1837 NE2 HIS A 117 8.834 28.571 9.538 1.00 0.00 N ATOM 0 H HIS A 117 4.786 27.565 9.471 1.00 0.00 H new ATOM 0 HA HIS A 117 5.990 25.452 11.074 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.272 28.378 11.618 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.172 27.371 12.735 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.792 29.385 9.465 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.350 27.273 10.300 1.00 0.00 H new ATOM 0 HE2 HIS A 117 9.330 29.095 8.817 1.00 0.00 H new ATOM 1845 N HIS A 118 4.291 24.952 12.852 1.00 0.00 N ATOM 1846 CA HIS A 118 3.191 24.506 13.755 1.00 0.00 C ATOM 1847 C HIS A 118 2.815 25.647 14.708 1.00 0.00 C ATOM 1848 O HIS A 118 1.658 25.860 15.016 1.00 0.00 O ATOM 1849 CB HIS A 118 3.676 23.302 14.567 1.00 0.00 C ATOM 1850 CG HIS A 118 3.817 22.106 13.663 1.00 0.00 C ATOM 1851 ND1 HIS A 118 4.920 21.924 12.843 1.00 0.00 N ATOM 1852 CD2 HIS A 118 3.005 21.021 13.446 1.00 0.00 C ATOM 1853 CE1 HIS A 118 4.743 20.768 12.177 1.00 0.00 C ATOM 1854 NE2 HIS A 118 3.591 20.177 12.508 1.00 0.00 N ATOM 0 H HIS A 118 5.181 24.473 12.991 1.00 0.00 H new ATOM 0 HA HIS A 118 2.317 24.229 13.165 1.00 0.00 H new ATOM 0 HB2 HIS A 118 4.633 23.530 15.037 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.971 23.083 15.369 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.055 20.849 13.930 1.00 0.00 H new ATOM 0 HE1 HIS A 118 5.446 20.367 11.462 1.00 0.00 H new ATOM 0 HE2 HIS A 118 3.221 19.297 12.150 1.00 0.00 H new ATOM 1862 N HIS A 119 3.796 26.373 15.178 1.00 0.00 N ATOM 1863 CA HIS A 119 3.529 27.501 16.122 1.00 0.00 C ATOM 1864 C HIS A 119 2.533 27.068 17.199 1.00 0.00 C ATOM 1865 O HIS A 119 1.332 27.169 17.033 1.00 0.00 O ATOM 1866 CB HIS A 119 2.957 28.701 15.361 1.00 0.00 C ATOM 1867 CG HIS A 119 2.726 29.833 16.327 1.00 0.00 C ATOM 1868 ND1 HIS A 119 3.770 30.585 16.845 1.00 0.00 N ATOM 1869 CD2 HIS A 119 1.581 30.347 16.884 1.00 0.00 C ATOM 1870 CE1 HIS A 119 3.237 31.500 17.676 1.00 0.00 C ATOM 1871 NE2 HIS A 119 1.906 31.399 17.736 1.00 0.00 N ATOM 0 H HIS A 119 4.779 26.232 14.947 1.00 0.00 H new ATOM 0 HA HIS A 119 4.470 27.784 16.594 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.646 29.012 14.576 1.00 0.00 H new ATOM 0 HB3 HIS A 119 2.022 28.426 14.874 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.580 29.990 16.691 1.00 0.00 H new ATOM 0 HE1 HIS A 119 3.815 32.227 18.227 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.266 31.970 18.288 1.00 0.00 H new ATOM 1879 N HIS A 120 3.031 26.601 18.313 1.00 0.00 N ATOM 1880 CA HIS A 120 2.134 26.172 19.426 1.00 0.00 C ATOM 1881 C HIS A 120 2.918 26.207 20.737 1.00 0.00 C ATOM 1882 O HIS A 120 4.122 26.398 20.677 1.00 0.00 O ATOM 1883 CB HIS A 120 1.631 24.748 19.175 1.00 0.00 C ATOM 1884 CG HIS A 120 0.632 24.379 20.240 1.00 0.00 C ATOM 1885 ND1 HIS A 120 1.015 23.820 21.451 1.00 0.00 N ATOM 1886 CD2 HIS A 120 -0.735 24.485 20.294 1.00 0.00 C ATOM 1887 CE1 HIS A 120 -0.101 23.612 22.173 1.00 0.00 C ATOM 1888 NE2 HIS A 120 -1.197 24.000 21.515 1.00 0.00 N ATOM 1889 OXT HIS A 120 2.305 26.043 21.780 1.00 0.00 O ATOM 0 H HIS A 120 4.028 26.498 18.501 1.00 0.00 H new ATOM 0 HA HIS A 120 1.279 26.846 19.482 1.00 0.00 H new ATOM 0 HB2 HIS A 120 1.171 24.681 18.189 1.00 0.00 H new ATOM 0 HB3 HIS A 120 2.466 24.048 19.185 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -1.359 24.884 19.508 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.110 23.183 23.164 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.164 23.951 21.837 1.00 0.00 H new TER 1897 HIS A 120