USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 6 MET CE :methyl 159:sc= -0.0232 (180deg=-0.805) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -178:sc= 0.581 (180deg=0.58) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.46! C(o=-13!,f=-22!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -6.53! C(o=-13!,f=-15!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -91:sc= -1.54! USER MOD Single : A 14 CYS SG : rot -53:sc= -10.7! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 137:sc= -4.19! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.37) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.54! C(o=-6.5!,f=-3.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -2.62! (180deg=-3.01!) USER MOD Single : A 44 HIS : no HD1:sc= -14.5! C(o=-15!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -4.61! C(o=-4.6!,f=-5.8!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 55 MET CE :methyl -137:sc= -11.5! (180deg=-15.8!) USER MOD Single : A 57 SER OG : rot 39:sc= 0.602! USER MOD Single : A 58 SER OG : rot 180:sc= -0.139 USER MOD Single : A 67 TYR OH : rot 6:sc= -4.77! USER MOD Single : A 68 LYS NZ :NH3+ -125:sc= -0.233 (180deg=-1.3) USER MOD Single : A 69 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.2) USER MOD Single : A 77 MET CE :methyl -112:sc= -2.99 (180deg=-11.8!) USER MOD Single : A 80 CYS SG : rot 180:sc= -2.52! USER MOD Single : A 83 SER OG : rot -85:sc= -1.86 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -13.3! C(o=-13!,f=-16!) USER MOD Single : A 107 GLN : amide:sc=-0.00168 K(o=-0.0017,f=-1.1) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.333 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.560 -13.822 0.182 1.00 0.00 N ATOM 12 CA LEU A 2 -7.519 -12.810 0.208 1.00 0.00 C ATOM 13 C LEU A 2 -6.149 -13.491 0.180 1.00 0.00 C ATOM 14 O LEU A 2 -5.941 -14.499 0.854 1.00 0.00 O ATOM 15 CB LEU A 2 -7.714 -11.871 1.401 1.00 0.00 C ATOM 16 CG LEU A 2 -6.547 -10.932 1.713 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.683 -9.615 0.946 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.414 -10.706 3.220 1.00 0.00 C ATOM 0 HA LEU A 2 -7.580 -12.179 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.603 -11.266 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.914 -12.476 2.285 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.626 -11.407 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.841 -8.966 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.692 -9.817 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.613 -9.123 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.577 -10.035 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.332 -10.262 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.237 -11.660 3.717 1.00 0.00 H new ATOM 29 N GLY A 3 -5.252 -12.914 -0.606 1.00 0.00 N ATOM 30 CA GLY A 3 -3.909 -13.454 -0.729 1.00 0.00 C ATOM 31 C GLY A 3 -2.888 -12.549 -0.038 1.00 0.00 C ATOM 32 O GLY A 3 -3.237 -11.793 0.868 1.00 0.00 O ATOM 0 H GLY A 3 -5.429 -12.078 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.873 -14.451 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.651 -13.560 -1.783 1.00 0.00 H new ATOM 36 N ILE A 4 -1.647 -12.657 -0.489 1.00 0.00 N ATOM 37 CA ILE A 4 -0.574 -11.857 0.076 1.00 0.00 C ATOM 38 C ILE A 4 0.742 -12.213 -0.620 1.00 0.00 C ATOM 39 O ILE A 4 1.049 -13.390 -0.811 1.00 0.00 O ATOM 40 CB ILE A 4 -0.529 -12.018 1.596 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.193 -10.690 2.279 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.440 -13.130 2.001 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.760 -9.857 1.420 1.00 0.00 C ATOM 0 H ILE A 4 -1.361 -13.286 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.754 -10.797 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.521 -12.314 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.109 -10.128 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.261 -10.882 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.453 -13.224 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.117 -14.073 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.441 -12.887 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.982 -8.919 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.685 -10.411 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.293 -9.646 0.458 1.00 0.00 H new ATOM 54 N ASP A 5 1.485 -11.177 -0.980 1.00 0.00 N ATOM 55 CA ASP A 5 2.759 -11.367 -1.650 1.00 0.00 C ATOM 56 C ASP A 5 3.733 -10.272 -1.203 1.00 0.00 C ATOM 57 O ASP A 5 3.328 -9.135 -0.971 1.00 0.00 O ATOM 58 CB ASP A 5 2.604 -11.269 -3.169 1.00 0.00 C ATOM 59 CG ASP A 5 3.154 -12.464 -3.952 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.344 -12.510 -4.293 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.290 -13.386 -4.216 1.00 0.00 O ATOM 0 H ASP A 5 1.228 -10.203 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 5 3.132 -12.357 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.546 -11.155 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.107 -10.365 -3.513 1.00 0.00 H new ATOM 66 N MET A 6 4.997 -10.656 -1.099 1.00 0.00 N ATOM 67 CA MET A 6 6.029 -9.722 -0.686 1.00 0.00 C ATOM 68 C MET A 6 7.293 -9.893 -1.531 1.00 0.00 C ATOM 69 O MET A 6 7.725 -11.016 -1.789 1.00 0.00 O ATOM 70 CB MET A 6 6.367 -9.953 0.789 1.00 0.00 C ATOM 71 CG MET A 6 5.143 -9.711 1.676 1.00 0.00 C ATOM 72 SD MET A 6 5.288 -10.651 3.186 1.00 0.00 S ATOM 73 CE MET A 6 6.961 -10.233 3.651 1.00 0.00 C ATOM 0 H MET A 6 5.329 -11.601 -1.294 1.00 0.00 H new ATOM 0 HA MET A 6 5.653 -8.709 -0.828 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.726 -10.973 0.928 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.176 -9.287 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.055 -8.649 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.236 -9.999 1.145 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.098 -10.412 4.717 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.660 -10.850 3.087 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.147 -9.181 3.433 1.00 0.00 H new ATOM 81 N ASN A 7 7.851 -8.763 -1.939 1.00 0.00 N ATOM 82 CA ASN A 7 9.057 -8.773 -2.751 1.00 0.00 C ATOM 83 C ASN A 7 10.012 -7.687 -2.251 1.00 0.00 C ATOM 84 O ASN A 7 9.608 -6.796 -1.504 1.00 0.00 O ATOM 85 CB ASN A 7 8.736 -8.482 -4.218 1.00 0.00 C ATOM 86 CG ASN A 7 9.113 -9.669 -5.107 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.353 -10.606 -5.289 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.324 -9.577 -5.648 1.00 0.00 N ATOM 0 H ASN A 7 7.491 -7.834 -1.723 1.00 0.00 H new ATOM 0 HA ASN A 7 9.510 -9.761 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.673 -8.266 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.277 -7.593 -4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.668 -10.319 -6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.909 -8.764 -5.454 1.00 0.00 H new ATOM 94 N VAL A 8 11.259 -7.795 -2.684 1.00 0.00 N ATOM 95 CA VAL A 8 12.275 -6.834 -2.290 1.00 0.00 C ATOM 96 C VAL A 8 12.971 -6.292 -3.540 1.00 0.00 C ATOM 97 O VAL A 8 13.230 -7.039 -4.483 1.00 0.00 O ATOM 98 CB VAL A 8 13.245 -7.475 -1.296 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.671 -7.484 -1.851 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.189 -6.768 0.059 1.00 0.00 C ATOM 0 H VAL A 8 11.589 -8.534 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 8 11.820 -5.986 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 8 12.936 -8.510 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.341 -7.945 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.696 -8.053 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.993 -6.461 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.888 -7.244 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.460 -5.720 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.179 -6.836 0.463 1.00 0.00 H new ATOM 110 N LYS A 9 13.251 -4.998 -3.508 1.00 0.00 N ATOM 111 CA LYS A 9 13.912 -4.348 -4.628 1.00 0.00 C ATOM 112 C LYS A 9 14.800 -3.217 -4.103 1.00 0.00 C ATOM 113 O LYS A 9 14.305 -2.153 -3.737 1.00 0.00 O ATOM 114 CB LYS A 9 12.883 -3.891 -5.664 1.00 0.00 C ATOM 115 CG LYS A 9 11.507 -4.491 -5.372 1.00 0.00 C ATOM 116 CD LYS A 9 11.406 -5.920 -5.908 1.00 0.00 C ATOM 117 CE LYS A 9 10.339 -6.023 -6.999 1.00 0.00 C ATOM 118 NZ LYS A 9 10.918 -6.586 -8.239 1.00 0.00 N ATOM 0 H LYS A 9 13.033 -4.382 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 9 14.563 -5.051 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.817 -2.803 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.209 -4.188 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.326 -4.489 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.733 -3.873 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.371 -6.231 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.164 -6.602 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.519 -6.653 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.921 -5.037 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.180 -6.649 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.686 -5.970 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.296 -7.535 -8.046 1.00 0.00 H new ATOM 127 N GLU A 10 16.097 -3.488 -4.084 1.00 0.00 N ATOM 128 CA GLU A 10 17.059 -2.507 -3.611 1.00 0.00 C ATOM 129 C GLU A 10 16.818 -2.198 -2.132 1.00 0.00 C ATOM 130 O GLU A 10 17.750 -1.853 -1.407 1.00 0.00 O ATOM 131 CB GLU A 10 17.001 -1.231 -4.454 1.00 0.00 C ATOM 132 CG GLU A 10 17.650 -0.057 -3.718 1.00 0.00 C ATOM 133 CD GLU A 10 18.395 0.856 -4.693 1.00 0.00 C ATOM 134 OE1 GLU A 10 17.856 1.199 -5.756 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.575 1.214 -4.313 1.00 0.00 O ATOM 0 H GLU A 10 16.504 -4.372 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 10 18.059 -2.928 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.510 -1.395 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.963 -0.991 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.886 0.514 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.342 -0.433 -2.965 1.00 0.00 H new ATOM 141 N SER A 11 15.563 -2.333 -1.729 1.00 0.00 N ATOM 142 CA SER A 11 15.188 -2.074 -0.349 1.00 0.00 C ATOM 143 C SER A 11 13.675 -1.870 -0.247 1.00 0.00 C ATOM 144 O SER A 11 13.144 -1.675 0.844 1.00 0.00 O ATOM 145 CB SER A 11 15.926 -0.851 0.201 1.00 0.00 C ATOM 146 OG SER A 11 16.593 -0.123 -0.827 1.00 0.00 O ATOM 0 H SER A 11 14.793 -2.618 -2.334 1.00 0.00 H new ATOM 0 HA SER A 11 15.473 -2.938 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.216 -0.196 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.652 -1.171 0.948 1.00 0.00 H new ATOM 0 HG SER A 11 17.508 -0.459 -0.924 1.00 0.00 H new ATOM 151 N VAL A 12 13.025 -1.923 -1.400 1.00 0.00 N ATOM 152 CA VAL A 12 11.583 -1.747 -1.455 1.00 0.00 C ATOM 153 C VAL A 12 10.903 -3.114 -1.354 1.00 0.00 C ATOM 154 O VAL A 12 11.173 -4.006 -2.156 1.00 0.00 O ATOM 155 CB VAL A 12 11.197 -0.979 -2.721 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.327 -1.865 -3.961 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.784 -0.404 -2.603 1.00 0.00 C ATOM 0 H VAL A 12 13.470 -2.085 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 12 11.239 -1.149 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 12 11.890 -0.145 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.047 -1.295 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.358 -2.204 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.669 -2.728 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.534 0.137 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.072 -1.216 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.738 0.277 -1.753 1.00 0.00 H new ATOM 167 N LEU A 13 10.034 -3.235 -0.362 1.00 0.00 N ATOM 168 CA LEU A 13 9.313 -4.478 -0.146 1.00 0.00 C ATOM 169 C LEU A 13 7.954 -4.402 -0.843 1.00 0.00 C ATOM 170 O LEU A 13 7.025 -3.777 -0.333 1.00 0.00 O ATOM 171 CB LEU A 13 9.221 -4.792 1.349 1.00 0.00 C ATOM 172 CG LEU A 13 9.048 -3.588 2.278 1.00 0.00 C ATOM 173 CD1 LEU A 13 10.385 -2.885 2.520 1.00 0.00 C ATOM 174 CD2 LEU A 13 7.985 -2.629 1.738 1.00 0.00 C ATOM 0 H LEU A 13 9.813 -2.493 0.302 1.00 0.00 H new ATOM 0 HA LEU A 13 9.853 -5.314 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.383 -5.471 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.124 -5.327 1.644 1.00 0.00 H new ATOM 0 HG LEU A 13 8.696 -3.949 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.233 -2.033 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.085 -3.583 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.790 -2.537 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.881 -1.782 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.285 -2.271 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.031 -3.150 1.660 1.00 0.00 H new ATOM 185 N CYS A 14 7.879 -5.047 -1.998 1.00 0.00 N ATOM 186 CA CYS A 14 6.648 -5.060 -2.770 1.00 0.00 C ATOM 187 C CYS A 14 5.634 -5.945 -2.042 1.00 0.00 C ATOM 188 O CYS A 14 5.946 -7.074 -1.669 1.00 0.00 O ATOM 189 CB CYS A 14 6.887 -5.527 -4.206 1.00 0.00 C ATOM 190 SG CYS A 14 8.619 -5.194 -4.694 1.00 0.00 S ATOM 0 H CYS A 14 8.651 -5.565 -2.418 1.00 0.00 H new ATOM 0 HA CYS A 14 6.253 -4.047 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.676 -6.593 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.205 -5.012 -4.883 1.00 0.00 H new ATOM 0 HG CYS A 14 8.898 -3.943 -4.477 1.00 0.00 H new ATOM 195 N ILE A 15 4.440 -5.399 -1.864 1.00 0.00 N ATOM 196 CA ILE A 15 3.379 -6.126 -1.188 1.00 0.00 C ATOM 197 C ILE A 15 2.213 -6.335 -2.156 1.00 0.00 C ATOM 198 O ILE A 15 1.362 -5.458 -2.308 1.00 0.00 O ATOM 199 CB ILE A 15 2.982 -5.413 0.107 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.809 -5.924 1.289 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.479 -5.536 0.362 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.294 -5.992 0.930 1.00 0.00 C ATOM 0 H ILE A 15 4.184 -4.462 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 15 3.726 -7.115 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 15 3.203 -4.351 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.668 -5.267 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.457 -6.913 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.224 -5.021 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.931 -5.086 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.209 -6.589 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.859 -6.358 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.434 -6.669 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.649 -4.998 0.659 1.00 0.00 H new ATOM 213 N ARG A 16 2.211 -7.499 -2.787 1.00 0.00 N ATOM 214 CA ARG A 16 1.164 -7.835 -3.737 1.00 0.00 C ATOM 215 C ARG A 16 0.008 -8.542 -3.026 1.00 0.00 C ATOM 216 O ARG A 16 0.079 -9.742 -2.763 1.00 0.00 O ATOM 217 CB ARG A 16 1.698 -8.738 -4.850 1.00 0.00 C ATOM 218 CG ARG A 16 1.449 -8.117 -6.227 1.00 0.00 C ATOM 219 CD ARG A 16 2.738 -8.076 -7.051 1.00 0.00 C ATOM 220 NE ARG A 16 2.414 -8.034 -8.495 1.00 0.00 N ATOM 221 CZ ARG A 16 3.305 -7.724 -9.461 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.582 -7.425 -9.144 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.906 -7.716 -10.720 1.00 0.00 N ATOM 0 H ARG A 16 2.919 -8.223 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 16 0.808 -6.905 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.766 -8.902 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.215 -9.714 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.692 -8.693 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.056 -7.107 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.327 -7.201 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.348 -8.953 -6.832 1.00 0.00 H new ATOM 0 HE ARG A 16 1.459 -8.253 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.880 -7.432 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.249 -7.192 -9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.938 -7.942 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.566 -7.484 -11.463 1.00 0.00 H new ATOM 233 N LEU A 17 -1.027 -7.769 -2.734 1.00 0.00 N ATOM 234 CA LEU A 17 -2.196 -8.307 -2.059 1.00 0.00 C ATOM 235 C LEU A 17 -3.239 -8.715 -3.101 1.00 0.00 C ATOM 236 O LEU A 17 -3.576 -7.931 -3.987 1.00 0.00 O ATOM 237 CB LEU A 17 -2.720 -7.312 -1.021 1.00 0.00 C ATOM 238 CG LEU A 17 -2.619 -7.753 0.441 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.090 -9.198 0.611 1.00 0.00 C ATOM 240 CD2 LEU A 17 -1.203 -7.543 0.980 1.00 0.00 C ATOM 0 H LEU A 17 -1.081 -6.774 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.934 -9.206 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.174 -6.376 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.766 -7.101 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.285 -7.126 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.008 -9.487 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.129 -9.282 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.469 -9.857 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.158 -7.864 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.498 -8.128 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.942 -6.487 0.915 1.00 0.00 H new ATOM 251 N THR A 18 -3.722 -9.941 -2.960 1.00 0.00 N ATOM 252 CA THR A 18 -4.720 -10.462 -3.877 1.00 0.00 C ATOM 253 C THR A 18 -5.928 -10.995 -3.105 1.00 0.00 C ATOM 254 O THR A 18 -5.814 -11.966 -2.359 1.00 0.00 O ATOM 255 CB THR A 18 -4.048 -11.517 -4.758 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.124 -12.160 -3.883 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.165 -10.899 -5.843 1.00 0.00 C ATOM 0 H THR A 18 -3.440 -10.588 -2.224 1.00 0.00 H new ATOM 0 HA THR A 18 -5.109 -9.677 -4.525 1.00 0.00 H new ATOM 0 HB THR A 18 -4.811 -12.141 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.644 -12.861 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.713 -11.692 -6.439 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.772 -10.262 -6.487 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.381 -10.302 -5.378 1.00 0.00 H new ATOM 265 N GLY A 19 -7.059 -10.335 -3.310 1.00 0.00 N ATOM 266 CA GLY A 19 -8.287 -10.731 -2.641 1.00 0.00 C ATOM 267 C GLY A 19 -9.218 -9.532 -2.450 1.00 0.00 C ATOM 268 O GLY A 19 -9.645 -8.910 -3.422 1.00 0.00 O ATOM 0 H GLY A 19 -7.151 -9.530 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.793 -11.499 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.052 -11.171 -1.672 1.00 0.00 H new ATOM 272 N GLU A 20 -9.505 -9.242 -1.190 1.00 0.00 N ATOM 273 CA GLU A 20 -10.377 -8.128 -0.858 1.00 0.00 C ATOM 274 C GLU A 20 -9.720 -7.235 0.197 1.00 0.00 C ATOM 275 O GLU A 20 -8.864 -7.691 0.954 1.00 0.00 O ATOM 276 CB GLU A 20 -11.744 -8.625 -0.381 1.00 0.00 C ATOM 277 CG GLU A 20 -12.771 -8.574 -1.514 1.00 0.00 C ATOM 278 CD GLU A 20 -14.190 -8.432 -0.961 1.00 0.00 C ATOM 279 OE1 GLU A 20 -14.390 -7.784 0.077 1.00 0.00 O ATOM 280 OE2 GLU A 20 -15.106 -9.023 -1.651 1.00 0.00 O ATOM 0 H GLU A 20 -9.149 -9.759 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.536 -7.536 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.655 -9.647 -0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.087 -8.013 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.548 -7.736 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.700 -9.480 -2.115 1.00 0.00 H new ATOM 286 N LEU A 21 -10.146 -5.981 0.213 1.00 0.00 N ATOM 287 CA LEU A 21 -9.610 -5.021 1.162 1.00 0.00 C ATOM 288 C LEU A 21 -10.733 -4.537 2.082 1.00 0.00 C ATOM 289 O LEU A 21 -11.330 -3.490 1.840 1.00 0.00 O ATOM 290 CB LEU A 21 -8.885 -3.890 0.430 1.00 0.00 C ATOM 291 CG LEU A 21 -7.405 -3.711 0.771 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.132 -4.066 2.233 1.00 0.00 C ATOM 293 CD2 LEU A 21 -6.520 -4.510 -0.189 1.00 0.00 C ATOM 0 H LEU A 21 -10.856 -5.607 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.859 -5.492 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.972 -4.064 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.402 -2.955 0.644 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.150 -2.659 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.072 -3.930 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.721 -3.417 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.408 -5.105 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.473 -4.365 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.769 -5.569 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.687 -4.166 -1.210 1.00 0.00 H new ATOM 304 N ASP A 22 -10.987 -5.324 3.118 1.00 0.00 N ATOM 305 CA ASP A 22 -12.028 -4.989 4.074 1.00 0.00 C ATOM 306 C ASP A 22 -11.463 -5.089 5.492 1.00 0.00 C ATOM 307 O ASP A 22 -10.306 -5.461 5.678 1.00 0.00 O ATOM 308 CB ASP A 22 -13.208 -5.957 3.966 1.00 0.00 C ATOM 309 CG ASP A 22 -12.846 -7.436 4.113 1.00 0.00 C ATOM 310 OD1 ASP A 22 -11.827 -7.786 4.727 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.672 -8.257 3.556 1.00 0.00 O ATOM 0 H ASP A 22 -10.490 -6.192 3.316 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.371 -3.977 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.941 -5.700 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.691 -5.811 3.000 1.00 0.00 H new ATOM 316 N HIS A 23 -12.307 -4.751 6.456 1.00 0.00 N ATOM 317 CA HIS A 23 -11.906 -4.798 7.852 1.00 0.00 C ATOM 318 C HIS A 23 -11.388 -6.198 8.190 1.00 0.00 C ATOM 319 O HIS A 23 -10.724 -6.389 9.208 1.00 0.00 O ATOM 320 CB HIS A 23 -13.052 -4.354 8.762 1.00 0.00 C ATOM 321 CG HIS A 23 -13.970 -5.475 9.185 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.953 -6.021 10.457 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.935 -6.147 8.492 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.868 -6.976 10.515 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.475 -7.054 9.296 1.00 0.00 N ATOM 0 H HIS A 23 -13.267 -4.444 6.298 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.091 -4.095 8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.634 -3.885 9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.638 -3.593 8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.212 -5.970 7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.094 -7.586 11.377 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.221 -7.703 9.044 1.00 0.00 H new ATOM 332 N HIS A 24 -11.714 -7.140 7.318 1.00 0.00 N ATOM 333 CA HIS A 24 -11.290 -8.517 7.511 1.00 0.00 C ATOM 334 C HIS A 24 -9.913 -8.724 6.879 1.00 0.00 C ATOM 335 O HIS A 24 -9.016 -9.288 7.504 1.00 0.00 O ATOM 336 CB HIS A 24 -12.341 -9.490 6.974 1.00 0.00 C ATOM 337 CG HIS A 24 -13.534 -9.668 7.882 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.545 -10.563 8.938 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.754 -9.058 7.884 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.723 -10.487 9.540 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.471 -9.554 8.884 1.00 0.00 N ATOM 0 H HIS A 24 -12.267 -6.978 6.476 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.197 -8.726 8.577 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.686 -9.136 6.003 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.873 -10.461 6.811 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.776 -11.177 9.207 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.081 -8.299 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.036 -11.062 10.399 1.00 0.00 H new ATOM 348 N THR A 25 -9.786 -8.255 5.646 1.00 0.00 N ATOM 349 CA THR A 25 -8.534 -8.382 4.921 1.00 0.00 C ATOM 350 C THR A 25 -7.535 -7.324 5.395 1.00 0.00 C ATOM 351 O THR A 25 -6.329 -7.570 5.419 1.00 0.00 O ATOM 352 CB THR A 25 -8.842 -8.300 3.425 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.998 -6.905 3.179 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.208 -8.895 3.075 1.00 0.00 C ATOM 0 H THR A 25 -10.531 -7.786 5.131 1.00 0.00 H new ATOM 0 HA THR A 25 -8.060 -9.344 5.116 1.00 0.00 H new ATOM 0 HB THR A 25 -8.065 -8.821 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.543 -6.667 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.377 -8.811 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.233 -9.945 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.989 -8.353 3.608 1.00 0.00 H new ATOM 362 N ALA A 26 -8.073 -6.170 5.760 1.00 0.00 N ATOM 363 CA ALA A 26 -7.243 -5.074 6.232 1.00 0.00 C ATOM 364 C ALA A 26 -6.350 -5.570 7.369 1.00 0.00 C ATOM 365 O ALA A 26 -5.151 -5.291 7.389 1.00 0.00 O ATOM 366 CB ALA A 26 -8.135 -3.906 6.657 1.00 0.00 C ATOM 0 H ALA A 26 -9.073 -5.970 5.739 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.592 -4.714 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.513 -3.084 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.728 -3.572 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.800 -4.229 7.458 1.00 0.00 H new ATOM 372 N GLU A 27 -6.966 -6.296 8.291 1.00 0.00 N ATOM 373 CA GLU A 27 -6.240 -6.833 9.429 1.00 0.00 C ATOM 374 C GLU A 27 -5.025 -7.631 8.956 1.00 0.00 C ATOM 375 O GLU A 27 -3.910 -7.408 9.426 1.00 0.00 O ATOM 376 CB GLU A 27 -7.155 -7.692 10.305 1.00 0.00 C ATOM 377 CG GLU A 27 -7.191 -7.168 11.742 1.00 0.00 C ATOM 378 CD GLU A 27 -8.535 -7.474 12.403 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.591 -7.270 11.787 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.458 -7.941 13.604 1.00 0.00 O ATOM 0 H GLU A 27 -7.960 -6.525 8.273 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.887 -6.000 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.163 -7.695 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.805 -8.724 10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.386 -7.623 12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.017 -6.092 11.745 1.00 0.00 H new ATOM 386 N THR A 28 -5.281 -8.545 8.032 1.00 0.00 N ATOM 387 CA THR A 28 -4.221 -9.379 7.490 1.00 0.00 C ATOM 388 C THR A 28 -2.986 -8.533 7.176 1.00 0.00 C ATOM 389 O THR A 28 -1.867 -8.906 7.528 1.00 0.00 O ATOM 390 CB THR A 28 -4.777 -10.117 6.271 1.00 0.00 C ATOM 391 OG1 THR A 28 -5.653 -11.095 6.826 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.710 -10.941 5.548 1.00 0.00 C ATOM 0 H THR A 28 -6.207 -8.727 7.645 1.00 0.00 H new ATOM 0 HA THR A 28 -3.892 -10.122 8.216 1.00 0.00 H new ATOM 0 HB THR A 28 -5.211 -9.396 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.059 -11.618 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.158 -11.444 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.912 -10.282 5.206 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.299 -11.684 6.231 1.00 0.00 H new ATOM 400 N LEU A 29 -3.229 -7.408 6.519 1.00 0.00 N ATOM 401 CA LEU A 29 -2.150 -6.507 6.154 1.00 0.00 C ATOM 402 C LEU A 29 -1.571 -5.872 7.420 1.00 0.00 C ATOM 403 O LEU A 29 -0.386 -5.550 7.472 1.00 0.00 O ATOM 404 CB LEU A 29 -2.629 -5.488 5.119 1.00 0.00 C ATOM 405 CG LEU A 29 -1.576 -4.995 4.124 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.322 -5.867 4.177 1.00 0.00 C ATOM 407 CD2 LEU A 29 -2.156 -4.907 2.711 1.00 0.00 C ATOM 0 H LEU A 29 -4.158 -7.100 6.230 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.341 -7.057 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.452 -5.930 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.032 -4.625 5.648 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.278 -3.987 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.410 -5.495 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.103 -5.833 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.583 -6.896 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.387 -4.554 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.499 -5.893 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.995 -4.211 2.705 1.00 0.00 H new ATOM 418 N LYS A 30 -2.437 -5.710 8.411 1.00 0.00 N ATOM 419 CA LYS A 30 -2.027 -5.120 9.674 1.00 0.00 C ATOM 420 C LYS A 30 -0.785 -5.848 10.193 1.00 0.00 C ATOM 421 O LYS A 30 0.165 -5.213 10.650 1.00 0.00 O ATOM 422 CB LYS A 30 -3.193 -5.110 10.663 1.00 0.00 C ATOM 423 CG LYS A 30 -3.116 -3.893 11.589 1.00 0.00 C ATOM 424 CD LYS A 30 -2.038 -4.085 12.657 1.00 0.00 C ATOM 425 CE LYS A 30 -2.329 -5.316 13.517 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.332 -4.957 14.952 1.00 0.00 N ATOM 0 H LYS A 30 -3.420 -5.977 8.364 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.749 -4.075 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.137 -5.098 10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.179 -6.024 11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.898 -2.999 11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.082 -3.733 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.064 -4.193 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.987 -3.199 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.294 -5.740 13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.578 -6.083 13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.531 -5.804 15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.402 -4.573 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.065 -4.241 15.129 1.00 0.00 H new ATOM 435 N GLN A 31 -0.834 -7.169 10.107 1.00 0.00 N ATOM 436 CA GLN A 31 0.275 -7.989 10.563 1.00 0.00 C ATOM 437 C GLN A 31 1.445 -7.895 9.581 1.00 0.00 C ATOM 438 O GLN A 31 2.605 -7.944 9.986 1.00 0.00 O ATOM 439 CB GLN A 31 -0.162 -9.443 10.756 1.00 0.00 C ATOM 440 CG GLN A 31 0.051 -10.254 9.476 1.00 0.00 C ATOM 441 CD GLN A 31 -0.875 -11.471 9.438 1.00 0.00 C ATOM 442 OE1 GLN A 31 -0.444 -12.611 9.379 1.00 0.00 O ATOM 443 NE2 GLN A 31 -2.169 -11.166 9.474 1.00 0.00 N ATOM 0 H GLN A 31 -1.624 -7.692 9.728 1.00 0.00 H new ATOM 0 HA GLN A 31 0.607 -7.611 11.530 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.404 -9.891 11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.214 -9.476 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.135 -9.624 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.089 -10.580 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.462 -10.190 9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.869 -11.908 9.452 1.00 0.00 H new ATOM 450 N LYS A 32 1.099 -7.759 8.309 1.00 0.00 N ATOM 451 CA LYS A 32 2.106 -7.656 7.267 1.00 0.00 C ATOM 452 C LYS A 32 2.763 -6.276 7.334 1.00 0.00 C ATOM 453 O LYS A 32 3.798 -6.047 6.709 1.00 0.00 O ATOM 454 CB LYS A 32 1.498 -7.982 5.901 1.00 0.00 C ATOM 455 CG LYS A 32 2.287 -7.309 4.776 1.00 0.00 C ATOM 456 CD LYS A 32 3.742 -7.780 4.768 1.00 0.00 C ATOM 457 CE LYS A 32 4.659 -6.716 4.162 1.00 0.00 C ATOM 458 NZ LYS A 32 5.876 -6.549 4.988 1.00 0.00 N ATOM 0 H LYS A 32 0.136 -7.718 7.977 1.00 0.00 H new ATOM 0 HA LYS A 32 2.894 -8.393 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.491 -9.061 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.460 -7.649 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.823 -7.535 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.252 -6.227 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.061 -8.003 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.825 -8.705 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.937 -7.002 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.127 -5.767 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.471 -5.799 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.604 -6.288 5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.408 -7.442 5.006 1.00 0.00 H new ATOM 467 N VAL A 33 2.136 -5.394 8.097 1.00 0.00 N ATOM 468 CA VAL A 33 2.648 -4.042 8.252 1.00 0.00 C ATOM 469 C VAL A 33 3.634 -4.006 9.422 1.00 0.00 C ATOM 470 O VAL A 33 4.761 -3.536 9.275 1.00 0.00 O ATOM 471 CB VAL A 33 1.487 -3.059 8.419 1.00 0.00 C ATOM 472 CG1 VAL A 33 2.000 -1.625 8.570 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.504 -3.169 7.253 1.00 0.00 C ATOM 0 H VAL A 33 1.279 -5.588 8.615 1.00 0.00 H new ATOM 0 HA VAL A 33 3.191 -3.734 7.359 1.00 0.00 H new ATOM 0 HB VAL A 33 0.954 -3.322 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.155 -0.947 8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.643 -1.559 9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.568 -1.347 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.311 -2.460 7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.020 -2.945 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.101 -4.181 7.211 1.00 0.00 H new ATOM 483 N THR A 34 3.173 -4.510 10.558 1.00 0.00 N ATOM 484 CA THR A 34 4.001 -4.542 11.752 1.00 0.00 C ATOM 485 C THR A 34 5.422 -4.988 11.404 1.00 0.00 C ATOM 486 O THR A 34 6.387 -4.535 12.018 1.00 0.00 O ATOM 487 CB THR A 34 3.315 -5.445 12.778 1.00 0.00 C ATOM 488 OG1 THR A 34 4.364 -5.821 13.667 1.00 0.00 O ATOM 489 CG2 THR A 34 2.846 -6.770 12.173 1.00 0.00 C ATOM 0 H THR A 34 2.238 -4.899 10.677 1.00 0.00 H new ATOM 0 HA THR A 34 4.104 -3.549 12.189 1.00 0.00 H new ATOM 0 HB THR A 34 2.462 -4.921 13.208 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.006 -6.407 14.366 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.366 -7.373 12.944 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.134 -6.572 11.372 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.703 -7.310 11.771 1.00 0.00 H new ATOM 497 N GLN A 35 5.506 -5.872 10.421 1.00 0.00 N ATOM 498 CA GLN A 35 6.794 -6.385 9.983 1.00 0.00 C ATOM 499 C GLN A 35 7.618 -5.270 9.336 1.00 0.00 C ATOM 500 O GLN A 35 8.801 -5.115 9.634 1.00 0.00 O ATOM 501 CB GLN A 35 6.618 -7.564 9.024 1.00 0.00 C ATOM 502 CG GLN A 35 5.860 -8.710 9.698 1.00 0.00 C ATOM 503 CD GLN A 35 5.362 -9.721 8.663 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.491 -10.924 8.819 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.788 -9.167 7.598 1.00 0.00 N ATOM 0 H GLN A 35 4.703 -6.246 9.915 1.00 0.00 H new ATOM 0 HA GLN A 35 7.334 -6.748 10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.077 -7.238 8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.595 -7.915 8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.511 -9.209 10.415 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.014 -8.312 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.712 -8.152 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.424 -9.757 6.850 1.00 0.00 H new ATOM 512 N SER A 36 6.959 -4.522 8.463 1.00 0.00 N ATOM 513 CA SER A 36 7.616 -3.426 7.771 1.00 0.00 C ATOM 514 C SER A 36 7.736 -2.217 8.702 1.00 0.00 C ATOM 515 O SER A 36 8.609 -1.371 8.518 1.00 0.00 O ATOM 516 CB SER A 36 6.857 -3.044 6.500 1.00 0.00 C ATOM 517 OG SER A 36 7.739 -2.740 5.423 1.00 0.00 O ATOM 0 H SER A 36 5.977 -4.653 8.219 1.00 0.00 H new ATOM 0 HA SER A 36 8.614 -3.754 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.200 -3.864 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.221 -2.182 6.702 1.00 0.00 H new ATOM 0 HG SER A 36 7.216 -2.503 4.629 1.00 0.00 H new ATOM 522 N LEU A 37 6.845 -2.174 9.682 1.00 0.00 N ATOM 523 CA LEU A 37 6.839 -1.083 10.641 1.00 0.00 C ATOM 524 C LEU A 37 8.252 -0.891 11.196 1.00 0.00 C ATOM 525 O LEU A 37 8.650 0.227 11.519 1.00 0.00 O ATOM 526 CB LEU A 37 5.782 -1.323 11.721 1.00 0.00 C ATOM 527 CG LEU A 37 4.655 -0.291 11.796 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.218 1.127 11.922 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.705 -0.427 10.607 1.00 0.00 C ATOM 0 H LEU A 37 6.122 -2.878 9.832 1.00 0.00 H new ATOM 0 HA LEU A 37 6.557 -0.150 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.339 -2.305 11.556 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.281 -1.358 12.689 1.00 0.00 H new ATOM 0 HG LEU A 37 4.072 -0.488 12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.396 1.841 11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.820 1.200 12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.839 1.350 11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.914 0.319 10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.258 -0.273 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.265 -1.424 10.605 1.00 0.00 H new ATOM 540 N GLU A 38 8.972 -2.000 11.293 1.00 0.00 N ATOM 541 CA GLU A 38 10.331 -1.968 11.803 1.00 0.00 C ATOM 542 C GLU A 38 11.090 -3.226 11.374 1.00 0.00 C ATOM 543 O GLU A 38 11.321 -4.122 12.185 1.00 0.00 O ATOM 544 CB GLU A 38 10.342 -1.814 13.325 1.00 0.00 C ATOM 545 CG GLU A 38 9.785 -0.451 13.743 1.00 0.00 C ATOM 546 CD GLU A 38 10.160 -0.126 15.189 1.00 0.00 C ATOM 547 OE1 GLU A 38 11.077 -0.746 15.748 1.00 0.00 O ATOM 548 OE2 GLU A 38 9.461 0.810 15.736 1.00 0.00 O ATOM 0 H GLU A 38 8.638 -2.926 11.027 1.00 0.00 H new ATOM 0 HA GLU A 38 10.836 -1.100 11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.749 -2.608 13.779 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.360 -1.924 13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.172 0.323 13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.700 -0.449 13.636 1.00 0.00 H new ATOM 554 N LYS A 39 11.454 -3.253 10.101 1.00 0.00 N ATOM 555 CA LYS A 39 12.181 -4.387 9.555 1.00 0.00 C ATOM 556 C LYS A 39 13.606 -4.390 10.111 1.00 0.00 C ATOM 557 O LYS A 39 14.126 -5.437 10.491 1.00 0.00 O ATOM 558 CB LYS A 39 12.118 -4.377 8.025 1.00 0.00 C ATOM 559 CG LYS A 39 12.789 -3.126 7.457 1.00 0.00 C ATOM 560 CD LYS A 39 14.253 -3.399 7.108 1.00 0.00 C ATOM 561 CE LYS A 39 14.376 -4.594 6.160 1.00 0.00 C ATOM 562 NZ LYS A 39 15.641 -4.520 5.395 1.00 0.00 N ATOM 0 H LYS A 39 11.259 -2.508 9.432 1.00 0.00 H new ATOM 0 HA LYS A 39 11.716 -5.323 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.608 -5.267 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.078 -4.416 7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.255 -2.795 6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.730 -2.316 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.691 -2.515 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.818 -3.594 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.342 -5.523 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.529 -4.610 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.641 -5.248 4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.728 -3.580 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.444 -4.680 6.036 1.00 0.00 H new ATOM 571 N ASP A 40 14.198 -3.204 10.143 1.00 0.00 N ATOM 572 CA ASP A 40 15.552 -3.056 10.647 1.00 0.00 C ATOM 573 C ASP A 40 16.147 -1.748 10.123 1.00 0.00 C ATOM 574 O ASP A 40 16.112 -0.727 10.808 1.00 0.00 O ATOM 575 CB ASP A 40 16.445 -4.205 10.171 1.00 0.00 C ATOM 576 CG ASP A 40 16.569 -5.374 11.150 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.928 -5.190 12.323 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.276 -6.530 10.659 1.00 0.00 O ATOM 0 H ASP A 40 13.764 -2.337 9.828 1.00 0.00 H new ATOM 0 HA ASP A 40 15.509 -3.059 11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.054 -4.582 9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.441 -3.812 9.970 1.00 0.00 H new ATOM 583 N ASP A 41 16.680 -1.820 8.912 1.00 0.00 N ATOM 584 CA ASP A 41 17.281 -0.654 8.288 1.00 0.00 C ATOM 585 C ASP A 41 16.177 0.296 7.819 1.00 0.00 C ATOM 586 O ASP A 41 15.267 0.618 8.582 1.00 0.00 O ATOM 587 CB ASP A 41 18.113 -1.050 7.066 1.00 0.00 C ATOM 588 CG ASP A 41 19.074 0.027 6.562 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.338 1.022 7.251 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.570 -0.190 5.390 1.00 0.00 O ATOM 0 H ASP A 41 16.708 -2.668 8.346 1.00 0.00 H new ATOM 0 HA ASP A 41 17.926 -0.174 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.688 -1.943 7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.435 -1.319 6.256 1.00 0.00 H new ATOM 595 N ILE A 42 16.292 0.716 6.568 1.00 0.00 N ATOM 596 CA ILE A 42 15.314 1.622 5.990 1.00 0.00 C ATOM 597 C ILE A 42 15.000 1.180 4.560 1.00 0.00 C ATOM 598 O ILE A 42 15.614 1.659 3.608 1.00 0.00 O ATOM 599 CB ILE A 42 15.800 3.070 6.093 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.288 3.729 7.376 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.415 3.867 4.846 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.804 3.426 7.594 1.00 0.00 C ATOM 0 H ILE A 42 17.048 0.446 5.938 1.00 0.00 H new ATOM 0 HA ILE A 42 14.379 1.582 6.549 1.00 0.00 H new ATOM 0 HB ILE A 42 16.889 3.063 6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.865 3.370 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.438 4.807 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.772 4.892 4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.868 3.408 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.331 3.869 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.466 3.906 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.227 3.807 6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.661 2.348 7.674 1.00 0.00 H new ATOM 613 N ARG A 43 14.043 0.270 4.453 1.00 0.00 N ATOM 614 CA ARG A 43 13.638 -0.242 3.155 1.00 0.00 C ATOM 615 C ARG A 43 12.609 0.690 2.514 1.00 0.00 C ATOM 616 O ARG A 43 12.420 1.817 2.968 1.00 0.00 O ATOM 617 CB ARG A 43 13.039 -1.644 3.279 1.00 0.00 C ATOM 618 CG ARG A 43 14.117 -2.718 3.117 1.00 0.00 C ATOM 619 CD ARG A 43 13.627 -3.857 2.221 1.00 0.00 C ATOM 620 NE ARG A 43 14.218 -5.140 2.663 1.00 0.00 N ATOM 621 CZ ARG A 43 13.589 -6.026 3.466 1.00 0.00 C ATOM 622 NH1 ARG A 43 12.343 -5.775 3.921 1.00 0.00 N ATOM 623 NH2 ARG A 43 14.213 -7.142 3.799 1.00 0.00 N ATOM 0 H ARG A 43 13.536 -0.126 5.245 1.00 0.00 H new ATOM 0 HA ARG A 43 14.527 -0.293 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.556 -1.752 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.267 -1.782 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.016 -2.274 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.392 -3.113 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.539 -3.917 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.901 -3.659 1.185 1.00 0.00 H new ATOM 0 HE ARG A 43 15.158 -5.369 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.869 -4.911 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.876 -6.450 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.154 -7.323 3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.753 -7.822 4.404 1.00 0.00 H new ATOM 633 N HIS A 44 11.971 0.184 1.468 1.00 0.00 N ATOM 634 CA HIS A 44 10.965 0.958 0.760 1.00 0.00 C ATOM 635 C HIS A 44 9.682 0.135 0.629 1.00 0.00 C ATOM 636 O HIS A 44 9.704 -1.084 0.792 1.00 0.00 O ATOM 637 CB HIS A 44 11.501 1.440 -0.590 1.00 0.00 C ATOM 638 CG HIS A 44 12.567 2.504 -0.484 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.395 3.666 0.248 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.818 2.570 -1.023 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.499 4.392 0.147 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.379 3.711 -0.642 1.00 0.00 N ATOM 0 H HIS A 44 12.131 -0.751 1.094 1.00 0.00 H new ATOM 0 HA HIS A 44 10.723 1.855 1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.907 0.587 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.672 1.829 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.275 1.821 -1.653 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.672 5.353 0.608 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.315 4.027 -0.897 1.00 0.00 H new ATOM 649 N ILE A 45 8.596 0.834 0.336 1.00 0.00 N ATOM 650 CA ILE A 45 7.305 0.184 0.182 1.00 0.00 C ATOM 651 C ILE A 45 6.970 0.074 -1.307 1.00 0.00 C ATOM 652 O ILE A 45 7.468 0.854 -2.119 1.00 0.00 O ATOM 653 CB ILE A 45 6.238 0.910 1.002 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.419 1.854 0.121 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.861 1.634 2.195 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.311 2.571 -0.894 1.00 0.00 C ATOM 0 H ILE A 45 8.583 1.845 0.201 1.00 0.00 H new ATOM 0 HA ILE A 45 7.339 -0.831 0.577 1.00 0.00 H new ATOM 0 HB ILE A 45 5.550 0.166 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.647 1.290 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.909 2.588 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.080 2.142 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.363 0.911 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.585 2.366 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.703 3.236 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.067 3.154 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.800 1.835 -1.532 1.00 0.00 H new ATOM 667 N VAL A 46 6.126 -0.897 -1.621 1.00 0.00 N ATOM 668 CA VAL A 46 5.717 -1.117 -2.998 1.00 0.00 C ATOM 669 C VAL A 46 4.398 -1.893 -3.016 1.00 0.00 C ATOM 670 O VAL A 46 4.396 -3.119 -3.121 1.00 0.00 O ATOM 671 CB VAL A 46 6.835 -1.822 -3.770 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.261 -2.787 -4.809 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.774 -0.807 -4.423 1.00 0.00 C ATOM 0 H VAL A 46 5.714 -1.541 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 46 5.542 -0.166 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 46 7.417 -2.406 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.077 -3.274 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.653 -3.541 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.643 -2.234 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.559 -1.334 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.210 -0.183 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.223 -0.179 -3.653 1.00 0.00 H new ATOM 683 N LEU A 47 3.309 -1.147 -2.912 1.00 0.00 N ATOM 684 CA LEU A 47 1.986 -1.748 -2.915 1.00 0.00 C ATOM 685 C LEU A 47 1.544 -1.992 -4.359 1.00 0.00 C ATOM 686 O LEU A 47 1.975 -1.287 -5.270 1.00 0.00 O ATOM 687 CB LEU A 47 1.006 -0.893 -2.108 1.00 0.00 C ATOM 688 CG LEU A 47 1.156 -0.958 -0.587 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.626 -1.095 -0.185 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.489 0.248 0.081 1.00 0.00 C ATOM 0 H LEU A 47 3.315 -0.131 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 47 2.008 -2.719 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.118 0.145 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.009 -1.196 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 47 0.641 -1.850 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.704 -1.139 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.037 -2.008 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.186 -0.236 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.610 0.178 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.955 1.166 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.573 0.259 -0.166 1.00 0.00 H new ATOM 701 N ASN A 48 0.692 -2.993 -4.522 1.00 0.00 N ATOM 702 CA ASN A 48 0.187 -3.338 -5.840 1.00 0.00 C ATOM 703 C ASN A 48 -0.826 -4.478 -5.711 1.00 0.00 C ATOM 704 O ASN A 48 -0.454 -5.611 -5.413 1.00 0.00 O ATOM 705 CB ASN A 48 1.317 -3.812 -6.757 1.00 0.00 C ATOM 706 CG ASN A 48 0.775 -4.681 -7.893 1.00 0.00 C ATOM 707 OD1 ASN A 48 -0.385 -4.610 -8.263 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.677 -5.501 -8.424 1.00 0.00 N ATOM 0 H ASN A 48 0.339 -3.576 -3.763 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.275 -2.448 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.839 -2.950 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.046 -4.378 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.414 -6.122 -9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.632 -5.509 -8.066 1.00 0.00 H new ATOM 714 N LEU A 49 -2.085 -4.137 -5.943 1.00 0.00 N ATOM 715 CA LEU A 49 -3.154 -5.117 -5.857 1.00 0.00 C ATOM 716 C LEU A 49 -3.528 -5.582 -7.265 1.00 0.00 C ATOM 717 O LEU A 49 -3.938 -4.777 -8.100 1.00 0.00 O ATOM 718 CB LEU A 49 -4.333 -4.555 -5.060 1.00 0.00 C ATOM 719 CG LEU A 49 -4.468 -5.052 -3.620 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.272 -3.907 -2.624 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.802 -5.772 -3.411 1.00 0.00 C ATOM 0 H LEU A 49 -2.389 -3.195 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.820 -5.998 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.248 -3.468 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.253 -4.794 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.677 -5.779 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.373 -4.288 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.278 -3.478 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.025 -3.139 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.872 -6.115 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.623 -5.086 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.863 -6.628 -4.083 1.00 0.00 H new ATOM 732 N GLU A 50 -3.373 -6.880 -7.486 1.00 0.00 N ATOM 733 CA GLU A 50 -3.691 -7.462 -8.779 1.00 0.00 C ATOM 734 C GLU A 50 -5.123 -7.999 -8.783 1.00 0.00 C ATOM 735 O GLU A 50 -5.735 -8.137 -9.840 1.00 0.00 O ATOM 736 CB GLU A 50 -2.691 -8.561 -9.145 1.00 0.00 C ATOM 737 CG GLU A 50 -2.028 -8.272 -10.493 1.00 0.00 C ATOM 738 CD GLU A 50 -3.017 -8.467 -11.644 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.976 -9.243 -11.513 1.00 0.00 O ATOM 740 OE2 GLU A 50 -2.763 -7.778 -12.704 1.00 0.00 O ATOM 0 H GLU A 50 -3.032 -7.544 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.616 -6.681 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.929 -8.637 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.201 -9.523 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.649 -7.250 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.171 -8.932 -10.630 1.00 0.00 H new ATOM 746 N ASP A 51 -5.616 -8.289 -7.587 1.00 0.00 N ATOM 747 CA ASP A 51 -6.965 -8.808 -7.439 1.00 0.00 C ATOM 748 C ASP A 51 -7.820 -7.786 -6.688 1.00 0.00 C ATOM 749 O ASP A 51 -8.290 -8.056 -5.584 1.00 0.00 O ATOM 750 CB ASP A 51 -6.968 -10.110 -6.635 1.00 0.00 C ATOM 751 CG ASP A 51 -8.355 -10.698 -6.365 1.00 0.00 C ATOM 752 OD1 ASP A 51 -8.493 -11.705 -5.653 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.332 -10.071 -6.926 1.00 0.00 O ATOM 0 H ASP A 51 -5.105 -8.174 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.365 -8.998 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.373 -10.851 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.473 -9.932 -5.680 1.00 0.00 H new ATOM 758 N LEU A 52 -7.996 -6.633 -7.318 1.00 0.00 N ATOM 759 CA LEU A 52 -8.787 -5.569 -6.723 1.00 0.00 C ATOM 760 C LEU A 52 -10.268 -5.804 -7.035 1.00 0.00 C ATOM 761 O LEU A 52 -10.713 -5.571 -8.158 1.00 0.00 O ATOM 762 CB LEU A 52 -8.273 -4.202 -7.176 1.00 0.00 C ATOM 763 CG LEU A 52 -8.914 -2.987 -6.502 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.265 -3.352 -5.885 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.965 -2.364 -5.477 1.00 0.00 C ATOM 0 H LEU A 52 -7.605 -6.413 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.684 -5.579 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.198 -4.164 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.424 -4.117 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.102 -2.233 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.699 -2.471 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.935 -3.713 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.125 -4.133 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.445 -1.503 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.722 -3.101 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.050 -2.044 -5.976 1.00 0.00 H new ATOM 776 N SER A 53 -10.988 -6.262 -6.022 1.00 0.00 N ATOM 777 CA SER A 53 -12.408 -6.531 -6.174 1.00 0.00 C ATOM 778 C SER A 53 -13.221 -5.529 -5.353 1.00 0.00 C ATOM 779 O SER A 53 -13.658 -4.504 -5.873 1.00 0.00 O ATOM 780 CB SER A 53 -12.745 -7.963 -5.753 1.00 0.00 C ATOM 781 OG SER A 53 -14.148 -8.153 -5.585 1.00 0.00 O ATOM 0 H SER A 53 -10.615 -6.454 -5.092 1.00 0.00 H new ATOM 0 HA SER A 53 -12.667 -6.421 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.372 -8.659 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.233 -8.197 -4.820 1.00 0.00 H new ATOM 0 HG SER A 53 -14.323 -9.080 -5.318 1.00 0.00 H new ATOM 786 N PHE A 54 -13.399 -5.861 -4.082 1.00 0.00 N ATOM 787 CA PHE A 54 -14.151 -5.003 -3.183 1.00 0.00 C ATOM 788 C PHE A 54 -13.330 -3.777 -2.779 1.00 0.00 C ATOM 789 O PHE A 54 -13.723 -2.644 -3.055 1.00 0.00 O ATOM 790 CB PHE A 54 -14.462 -5.828 -1.932 1.00 0.00 C ATOM 791 CG PHE A 54 -15.161 -5.039 -0.825 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.306 -4.356 -1.095 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.639 -5.020 0.431 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.955 -3.623 -0.066 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.289 -4.289 1.459 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.432 -3.605 1.190 1.00 0.00 C ATOM 0 H PHE A 54 -13.035 -6.712 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.058 -4.653 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.090 -6.673 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.532 -6.239 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.722 -4.371 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.730 -5.561 0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.864 -3.080 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.875 -4.276 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.925 -3.047 1.973 1.00 0.00 H new ATOM 805 N MET A 55 -12.205 -4.045 -2.133 1.00 0.00 N ATOM 806 CA MET A 55 -11.326 -2.978 -1.688 1.00 0.00 C ATOM 807 C MET A 55 -12.123 -1.721 -1.332 1.00 0.00 C ATOM 808 O MET A 55 -12.229 -0.799 -2.139 1.00 0.00 O ATOM 809 CB MET A 55 -10.322 -2.647 -2.795 1.00 0.00 C ATOM 810 CG MET A 55 -8.979 -2.212 -2.206 1.00 0.00 C ATOM 811 SD MET A 55 -7.703 -3.367 -2.676 1.00 0.00 S ATOM 812 CE MET A 55 -8.668 -4.864 -2.798 1.00 0.00 C ATOM 0 H MET A 55 -11.882 -4.986 -1.907 1.00 0.00 H new ATOM 0 HA MET A 55 -10.800 -3.317 -0.796 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.178 -3.519 -3.433 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.720 -1.853 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.724 -1.213 -2.559 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.050 -2.158 -1.120 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.121 -5.688 -2.339 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.618 -4.727 -2.282 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.854 -5.092 -3.847 1.00 0.00 H new ATOM 820 N ASP A 56 -12.666 -1.725 -0.123 1.00 0.00 N ATOM 821 CA ASP A 56 -13.451 -0.599 0.350 1.00 0.00 C ATOM 822 C ASP A 56 -12.582 0.281 1.251 1.00 0.00 C ATOM 823 O ASP A 56 -11.361 0.311 1.105 1.00 0.00 O ATOM 824 CB ASP A 56 -14.655 -1.070 1.167 1.00 0.00 C ATOM 825 CG ASP A 56 -15.887 -0.166 1.085 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.273 0.479 2.070 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.467 -0.140 -0.067 1.00 0.00 O ATOM 0 H ASP A 56 -12.577 -2.492 0.544 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.802 -0.044 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.933 -2.069 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.355 -1.156 2.211 1.00 0.00 H new ATOM 832 N SER A 57 -13.245 0.975 2.163 1.00 0.00 N ATOM 833 CA SER A 57 -12.549 1.853 3.089 1.00 0.00 C ATOM 834 C SER A 57 -12.383 1.160 4.443 1.00 0.00 C ATOM 835 O SER A 57 -11.865 1.753 5.388 1.00 0.00 O ATOM 836 CB SER A 57 -13.295 3.178 3.259 1.00 0.00 C ATOM 837 OG SER A 57 -13.530 3.487 4.629 1.00 0.00 O ATOM 0 H SER A 57 -14.258 0.948 2.281 1.00 0.00 H new ATOM 0 HA SER A 57 -11.564 2.072 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.717 3.981 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.247 3.128 2.730 1.00 0.00 H new ATOM 0 HG SER A 57 -12.749 3.228 5.161 1.00 0.00 H new ATOM 842 N SER A 58 -12.833 -0.085 4.493 1.00 0.00 N ATOM 843 CA SER A 58 -12.741 -0.865 5.716 1.00 0.00 C ATOM 844 C SER A 58 -11.298 -0.872 6.226 1.00 0.00 C ATOM 845 O SER A 58 -11.063 -0.837 7.432 1.00 0.00 O ATOM 846 CB SER A 58 -13.233 -2.296 5.495 1.00 0.00 C ATOM 847 OG SER A 58 -14.088 -2.397 4.360 1.00 0.00 O ATOM 0 H SER A 58 -13.262 -0.573 3.707 1.00 0.00 H new ATOM 0 HA SER A 58 -13.382 -0.401 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.377 -2.958 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.766 -2.637 6.382 1.00 0.00 H new ATOM 0 HG SER A 58 -14.380 -3.326 4.252 1.00 0.00 H new ATOM 852 N GLY A 59 -10.371 -0.917 5.280 1.00 0.00 N ATOM 853 CA GLY A 59 -8.958 -0.930 5.618 1.00 0.00 C ATOM 854 C GLY A 59 -8.292 0.394 5.234 1.00 0.00 C ATOM 855 O GLY A 59 -7.070 0.521 5.307 1.00 0.00 O ATOM 0 H GLY A 59 -10.571 -0.945 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.837 -1.106 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.464 -1.753 5.102 1.00 0.00 H new ATOM 859 N LEU A 60 -9.123 1.345 4.834 1.00 0.00 N ATOM 860 CA LEU A 60 -8.629 2.653 4.438 1.00 0.00 C ATOM 861 C LEU A 60 -7.695 3.189 5.524 1.00 0.00 C ATOM 862 O LEU A 60 -6.612 3.691 5.224 1.00 0.00 O ATOM 863 CB LEU A 60 -9.794 3.588 4.112 1.00 0.00 C ATOM 864 CG LEU A 60 -9.567 4.564 2.956 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.699 6.014 3.427 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.223 4.303 2.274 1.00 0.00 C ATOM 0 H LEU A 60 -10.135 1.236 4.776 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.044 2.579 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.669 2.980 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.033 4.164 5.006 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.344 4.396 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.533 6.686 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.699 6.176 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.959 6.213 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.087 5.010 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.418 4.426 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.206 3.286 1.881 1.00 0.00 H new ATOM 877 N GLY A 61 -8.146 3.065 6.764 1.00 0.00 N ATOM 878 CA GLY A 61 -7.363 3.532 7.895 1.00 0.00 C ATOM 879 C GLY A 61 -6.123 2.660 8.101 1.00 0.00 C ATOM 880 O GLY A 61 -5.056 3.164 8.446 1.00 0.00 O ATOM 0 H GLY A 61 -9.044 2.648 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.061 4.566 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.976 3.518 8.796 1.00 0.00 H new ATOM 884 N VAL A 62 -6.306 1.366 7.881 1.00 0.00 N ATOM 885 CA VAL A 62 -5.216 0.418 8.038 1.00 0.00 C ATOM 886 C VAL A 62 -4.090 0.777 7.065 1.00 0.00 C ATOM 887 O VAL A 62 -2.940 0.389 7.270 1.00 0.00 O ATOM 888 CB VAL A 62 -5.732 -1.010 7.855 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.143 -1.648 6.594 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.437 -1.863 9.090 1.00 0.00 C ATOM 0 H VAL A 62 -7.193 0.952 7.595 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.805 0.473 9.046 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.814 -0.962 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.526 -2.663 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.427 -1.059 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.056 -1.677 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.815 -2.873 8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.361 -1.900 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.925 -1.424 9.960 1.00 0.00 H new ATOM 900 N ILE A 63 -4.460 1.515 6.028 1.00 0.00 N ATOM 901 CA ILE A 63 -3.495 1.930 5.024 1.00 0.00 C ATOM 902 C ILE A 63 -3.090 3.382 5.282 1.00 0.00 C ATOM 903 O ILE A 63 -1.920 3.737 5.150 1.00 0.00 O ATOM 904 CB ILE A 63 -4.049 1.686 3.618 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.832 0.233 3.188 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.451 2.675 2.615 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.118 -0.368 2.617 1.00 0.00 C ATOM 0 H ILE A 63 -5.414 1.836 5.862 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.588 1.329 5.094 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.125 1.859 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.041 0.186 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.499 -0.357 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.861 2.481 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.698 3.693 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.368 2.557 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.936 -1.401 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.900 -0.341 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.435 0.209 1.749 1.00 0.00 H new ATOM 918 N LEU A 64 -4.081 4.184 5.645 1.00 0.00 N ATOM 919 CA LEU A 64 -3.842 5.590 5.922 1.00 0.00 C ATOM 920 C LEU A 64 -3.025 5.720 7.209 1.00 0.00 C ATOM 921 O LEU A 64 -2.038 6.453 7.250 1.00 0.00 O ATOM 922 CB LEU A 64 -5.163 6.362 5.953 1.00 0.00 C ATOM 923 CG LEU A 64 -5.145 7.748 5.306 1.00 0.00 C ATOM 924 CD1 LEU A 64 -6.231 7.869 4.234 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.259 8.848 6.363 1.00 0.00 C ATOM 0 H LEU A 64 -5.051 3.887 5.754 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.254 6.041 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.924 5.761 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.472 6.472 6.992 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.185 7.878 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.195 8.864 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.063 7.121 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.209 7.709 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.244 9.823 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.194 8.731 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.421 8.775 7.056 1.00 0.00 H new ATOM 936 N GLY A 65 -3.465 4.996 8.227 1.00 0.00 N ATOM 937 CA GLY A 65 -2.786 5.022 9.512 1.00 0.00 C ATOM 938 C GLY A 65 -1.408 4.363 9.416 1.00 0.00 C ATOM 939 O GLY A 65 -0.594 4.484 10.330 1.00 0.00 O ATOM 0 H GLY A 65 -4.283 4.388 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.678 6.053 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.390 4.504 10.257 1.00 0.00 H new ATOM 943 N ARG A 66 -1.189 3.682 8.302 1.00 0.00 N ATOM 944 CA ARG A 66 0.076 3.003 8.075 1.00 0.00 C ATOM 945 C ARG A 66 0.984 3.857 7.187 1.00 0.00 C ATOM 946 O ARG A 66 2.178 3.983 7.452 1.00 0.00 O ATOM 947 CB ARG A 66 -0.140 1.641 7.413 1.00 0.00 C ATOM 948 CG ARG A 66 0.031 0.507 8.426 1.00 0.00 C ATOM 949 CD ARG A 66 -0.959 0.652 9.583 1.00 0.00 C ATOM 950 NE ARG A 66 -1.002 -0.600 10.372 1.00 0.00 N ATOM 951 CZ ARG A 66 -0.131 -0.903 11.358 1.00 0.00 C ATOM 952 NH1 ARG A 66 0.861 -0.046 11.684 1.00 0.00 N ATOM 953 NH2 ARG A 66 -0.262 -2.050 11.998 1.00 0.00 N ATOM 0 H ARG A 66 -1.866 3.585 7.546 1.00 0.00 H new ATOM 0 HA ARG A 66 0.549 2.850 9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.139 1.598 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.569 1.513 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.120 -0.453 7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.050 0.510 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.665 1.484 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.952 0.882 9.196 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.735 -1.276 10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.956 0.838 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.515 -0.283 12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.013 -2.692 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.388 -2.294 12.745 1.00 0.00 H new ATOM 963 N TYR A 67 0.382 4.421 6.150 1.00 0.00 N ATOM 964 CA TYR A 67 1.121 5.259 5.220 1.00 0.00 C ATOM 965 C TYR A 67 2.098 6.172 5.963 1.00 0.00 C ATOM 966 O TYR A 67 3.207 6.417 5.491 1.00 0.00 O ATOM 967 CB TYR A 67 0.077 6.120 4.507 1.00 0.00 C ATOM 968 CG TYR A 67 0.417 6.430 3.048 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.021 5.564 2.048 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.120 7.575 2.732 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.341 5.856 0.675 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.440 7.866 1.358 1.00 0.00 C ATOM 973 CZ TYR A 67 1.035 6.993 0.398 1.00 0.00 C ATOM 974 OH TYR A 67 1.337 7.268 -0.899 1.00 0.00 O ATOM 0 H TYR A 67 -0.609 4.314 5.933 1.00 0.00 H new ATOM 0 HA TYR A 67 1.700 4.647 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.886 5.611 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.037 7.058 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.529 4.668 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.430 8.252 3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.037 5.188 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.990 8.758 1.096 1.00 0.00 H new ATOM 0 HH TYR A 67 0.905 6.610 -1.482 1.00 0.00 H new ATOM 983 N LYS A 68 1.649 6.653 7.115 1.00 0.00 N ATOM 984 CA LYS A 68 2.470 7.535 7.927 1.00 0.00 C ATOM 985 C LYS A 68 3.458 6.698 8.743 1.00 0.00 C ATOM 986 O LYS A 68 4.586 7.122 8.983 1.00 0.00 O ATOM 987 CB LYS A 68 1.589 8.451 8.780 1.00 0.00 C ATOM 988 CG LYS A 68 0.418 9.001 7.963 1.00 0.00 C ATOM 989 CD LYS A 68 0.810 10.291 7.241 1.00 0.00 C ATOM 990 CE LYS A 68 0.260 11.517 7.972 1.00 0.00 C ATOM 991 NZ LYS A 68 0.130 12.660 7.040 1.00 0.00 N ATOM 0 H LYS A 68 0.729 6.448 7.504 1.00 0.00 H new ATOM 0 HA LYS A 68 3.060 8.197 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.210 7.899 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.185 9.276 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.097 8.256 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.431 9.191 8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.896 10.359 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.429 10.271 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.711 11.283 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.922 11.785 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.651 13.477 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.522 12.398 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.874 12.909 6.934 1.00 0.00 H new ATOM 1000 N GLN A 69 2.995 5.523 9.146 1.00 0.00 N ATOM 1001 CA GLN A 69 3.824 4.623 9.930 1.00 0.00 C ATOM 1002 C GLN A 69 4.802 3.876 9.021 1.00 0.00 C ATOM 1003 O GLN A 69 5.989 3.774 9.331 1.00 0.00 O ATOM 1004 CB GLN A 69 2.964 3.643 10.730 1.00 0.00 C ATOM 1005 CG GLN A 69 3.160 3.843 12.234 1.00 0.00 C ATOM 1006 CD GLN A 69 2.364 2.809 13.034 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.213 2.520 12.750 1.00 0.00 O ATOM 1008 NE2 GLN A 69 3.039 2.270 14.045 1.00 0.00 N ATOM 0 H GLN A 69 2.058 5.174 8.945 1.00 0.00 H new ATOM 0 HA GLN A 69 4.399 5.216 10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.914 3.783 10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.224 2.620 10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.219 3.762 12.480 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.844 4.847 12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.001 2.558 14.227 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.595 1.569 14.638 1.00 0.00 H new ATOM 1090 N GLY A 75 10.589 4.865 4.192 1.00 0.00 N ATOM 1091 CA GLY A 75 11.187 5.889 3.353 1.00 0.00 C ATOM 1092 C GLY A 75 10.120 6.625 2.540 1.00 0.00 C ATOM 1093 O GLY A 75 9.969 7.839 2.663 1.00 0.00 O ATOM 0 HA2 GLY A 75 11.731 6.601 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.913 5.434 2.679 1.00 0.00 H new ATOM 1097 N GLU A 76 9.409 5.858 1.727 1.00 0.00 N ATOM 1098 CA GLU A 76 8.361 6.421 0.893 1.00 0.00 C ATOM 1099 C GLU A 76 7.202 5.431 0.755 1.00 0.00 C ATOM 1100 O GLU A 76 7.413 4.219 0.763 1.00 0.00 O ATOM 1101 CB GLU A 76 8.907 6.820 -0.480 1.00 0.00 C ATOM 1102 CG GLU A 76 10.294 7.454 -0.355 1.00 0.00 C ATOM 1103 CD GLU A 76 10.199 8.876 0.204 1.00 0.00 C ATOM 1104 OE1 GLU A 76 11.211 9.431 0.659 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.024 9.404 0.153 1.00 0.00 O ATOM 0 H GLU A 76 9.538 4.851 1.628 1.00 0.00 H new ATOM 0 HA GLU A 76 7.987 7.324 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.961 5.942 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.224 7.523 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.919 6.844 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.778 7.475 -1.332 1.00 0.00 H new ATOM 1111 N MET A 77 6.004 5.984 0.633 1.00 0.00 N ATOM 1112 CA MET A 77 4.812 5.165 0.494 1.00 0.00 C ATOM 1113 C MET A 77 4.201 5.320 -0.899 1.00 0.00 C ATOM 1114 O MET A 77 3.815 6.419 -1.294 1.00 0.00 O ATOM 1115 CB MET A 77 3.785 5.574 1.552 1.00 0.00 C ATOM 1116 CG MET A 77 3.536 4.437 2.545 1.00 0.00 C ATOM 1117 SD MET A 77 2.107 3.492 2.043 1.00 0.00 S ATOM 1118 CE MET A 77 2.839 1.869 1.911 1.00 0.00 C ATOM 0 H MET A 77 5.833 6.990 0.628 1.00 0.00 H new ATOM 0 HA MET A 77 5.092 4.121 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.139 6.456 2.085 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.848 5.849 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.411 3.789 2.596 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.381 4.843 3.545 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.857 1.562 0.865 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.857 1.897 2.299 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.250 1.156 2.488 1.00 0.00 H new ATOM 1126 N VAL A 78 4.131 4.202 -1.607 1.00 0.00 N ATOM 1127 CA VAL A 78 3.572 4.199 -2.948 1.00 0.00 C ATOM 1128 C VAL A 78 2.549 3.067 -3.068 1.00 0.00 C ATOM 1129 O VAL A 78 2.659 2.052 -2.383 1.00 0.00 O ATOM 1130 CB VAL A 78 4.696 4.102 -3.983 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.156 4.308 -5.400 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.814 5.098 -3.673 1.00 0.00 C ATOM 0 H VAL A 78 4.452 3.292 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 78 3.046 5.133 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 78 5.117 3.098 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.975 4.234 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.411 3.543 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.697 5.294 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.600 5.008 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.413 6.111 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.228 4.885 -2.687 1.00 0.00 H new ATOM 1142 N VAL A 79 1.580 3.280 -3.945 1.00 0.00 N ATOM 1143 CA VAL A 79 0.538 2.290 -4.163 1.00 0.00 C ATOM 1144 C VAL A 79 0.024 2.405 -5.601 1.00 0.00 C ATOM 1145 O VAL A 79 -0.212 3.506 -6.093 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.568 2.453 -3.119 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.137 3.873 -3.141 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.674 1.417 -3.324 1.00 0.00 C ATOM 0 H VAL A 79 1.494 4.123 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 79 0.937 1.283 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.128 2.283 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.921 3.962 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.343 4.587 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.553 4.083 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.447 1.556 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.109 1.541 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.255 0.415 -3.234 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.132 1.250 -6.233 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.613 1.208 -7.602 1.00 0.00 C ATOM 1160 C CYS A 80 -1.835 0.289 -7.655 1.00 0.00 C ATOM 1161 O CYS A 80 -2.375 -0.092 -6.617 1.00 0.00 O ATOM 1162 CB CYS A 80 0.480 0.757 -8.572 1.00 0.00 C ATOM 1163 SG CYS A 80 0.727 -1.052 -8.442 1.00 0.00 S ATOM 0 H CYS A 80 0.066 0.338 -5.822 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.899 2.211 -7.919 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.204 1.022 -9.593 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.412 1.276 -8.349 1.00 0.00 H new ATOM 0 HG CYS A 80 1.656 -1.424 -9.272 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.237 -0.040 -8.873 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.387 -0.907 -9.074 1.00 0.00 C ATOM 1170 C ALA A 81 -4.667 -0.132 -8.752 1.00 0.00 C ATOM 1171 O ALA A 81 -5.505 -0.604 -7.986 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.234 -2.163 -8.214 1.00 0.00 C ATOM 0 H ALA A 81 -1.787 0.278 -9.732 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.449 -1.228 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.096 -2.814 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.325 -2.692 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.172 -1.879 -7.163 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.776 1.042 -9.355 1.00 0.00 N ATOM 1179 CA ILE A 82 -5.940 1.887 -9.143 1.00 0.00 C ATOM 1180 C ILE A 82 -7.157 1.249 -9.817 1.00 0.00 C ATOM 1181 O ILE A 82 -7.024 0.263 -10.541 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.657 3.316 -9.608 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.642 4.303 -8.980 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.654 3.404 -11.136 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.801 4.039 -7.481 1.00 0.00 C ATOM 0 H ILE A 82 -4.078 1.429 -9.990 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.168 1.963 -8.080 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.660 3.595 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.291 5.323 -9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.611 4.219 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.450 4.430 -11.441 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.882 2.747 -11.537 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.627 3.098 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.507 4.754 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.175 3.027 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.835 4.148 -6.988 1.00 0.00 H new ATOM 1196 N SER A 83 -8.314 1.838 -9.556 1.00 0.00 N ATOM 1197 CA SER A 83 -9.554 1.341 -10.127 1.00 0.00 C ATOM 1198 C SER A 83 -10.629 2.428 -10.072 1.00 0.00 C ATOM 1199 O SER A 83 -10.503 3.393 -9.321 1.00 0.00 O ATOM 1200 CB SER A 83 -10.032 0.084 -9.398 1.00 0.00 C ATOM 1201 OG SER A 83 -9.143 -0.295 -8.351 1.00 0.00 O ATOM 0 H SER A 83 -8.419 2.656 -8.956 1.00 0.00 H new ATOM 0 HA SER A 83 -9.368 1.076 -11.168 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.025 0.260 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.124 -0.736 -10.110 1.00 0.00 H new ATOM 0 HG SER A 83 -8.419 -0.843 -8.719 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.689 2.229 -10.901 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.786 3.181 -10.954 1.00 0.00 C ATOM 1208 C PRO A 84 -13.682 3.054 -9.720 1.00 0.00 C ATOM 1209 O PRO A 84 -14.498 3.934 -9.448 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.515 2.871 -12.251 1.00 0.00 C ATOM 1211 CG PRO A 84 -13.084 1.467 -12.645 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.872 1.098 -11.806 1.00 0.00 C ATOM 0 HA PRO A 84 -12.445 4.216 -10.942 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.595 2.924 -12.114 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.256 3.591 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.895 0.758 -12.477 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.840 1.427 -13.707 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.039 0.173 -11.255 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.991 0.943 -12.429 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.499 1.953 -9.006 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.281 1.700 -7.807 1.00 0.00 C ATOM 1219 C ALA A 85 -13.334 1.470 -6.626 1.00 0.00 C ATOM 1220 O ALA A 85 -13.528 0.539 -5.845 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.214 0.512 -8.048 1.00 0.00 C ATOM 0 H ALA A 85 -12.821 1.226 -9.234 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.905 2.560 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.801 0.322 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.884 0.738 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.623 -0.372 -8.289 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.333 2.332 -6.534 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.358 2.235 -5.462 1.00 0.00 C ATOM 1229 C VAL A 86 -10.674 3.590 -5.275 1.00 0.00 C ATOM 1230 O VAL A 86 -10.342 3.972 -4.154 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.371 1.102 -5.754 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -8.961 1.470 -5.287 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -10.836 -0.208 -5.116 1.00 0.00 C ATOM 0 H VAL A 86 -12.176 3.102 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.849 1.987 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.339 0.955 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.279 0.648 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.628 2.367 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.971 1.657 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.117 -0.996 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.911 -0.080 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.811 -0.482 -5.518 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.484 4.280 -6.390 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.846 5.585 -6.363 1.00 0.00 C ATOM 1245 C LYS A 87 -10.872 6.641 -5.948 1.00 0.00 C ATOM 1246 O LYS A 87 -10.532 7.812 -5.789 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.169 5.878 -7.704 1.00 0.00 C ATOM 1248 CG LYS A 87 -10.112 6.635 -8.640 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.767 8.125 -8.679 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.822 8.913 -9.457 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.477 8.961 -10.896 1.00 0.00 N ATOM 0 H LYS A 87 -10.761 3.960 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.050 5.605 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.266 6.465 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.860 4.943 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.046 6.217 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.142 6.505 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.696 8.512 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.790 8.263 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.800 8.449 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.894 9.926 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.204 9.500 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.553 9.424 -11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.431 7.993 -11.275 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.106 6.189 -5.784 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.184 7.080 -5.391 1.00 0.00 C ATOM 1262 C ARG A 88 -13.194 7.262 -3.872 1.00 0.00 C ATOM 1263 O ARG A 88 -13.814 8.193 -3.359 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.541 6.536 -5.842 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.496 5.015 -6.003 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.166 4.333 -4.674 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.125 3.236 -4.416 1.00 0.00 N ATOM 1268 CZ ARG A 88 -14.859 2.163 -3.641 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -13.657 2.035 -3.039 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -15.791 1.243 -3.479 1.00 0.00 N ATOM 0 H ARG A 88 -12.384 5.216 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.013 8.042 -5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.305 6.806 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.826 6.997 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.457 4.656 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.748 4.747 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.150 3.940 -4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.206 5.060 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.046 3.294 -4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.943 2.752 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.463 1.222 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.697 1.348 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.606 0.426 -2.897 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.500 6.360 -3.194 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.421 6.410 -1.745 1.00 0.00 C ATOM 1282 C LEU A 89 -11.499 7.557 -1.327 1.00 0.00 C ATOM 1283 O LEU A 89 -11.801 8.291 -0.388 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.003 5.049 -1.184 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.132 4.040 -0.962 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.572 2.646 -0.676 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.081 4.513 0.141 1.00 0.00 C ATOM 0 H LEU A 89 -11.987 5.590 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.402 6.618 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.275 4.606 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.495 5.211 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.715 3.971 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.395 1.948 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.969 2.315 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.952 2.680 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.874 3.778 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.527 4.628 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.519 5.470 -0.142 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.391 7.674 -2.046 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.422 8.719 -1.762 1.00 0.00 C ATOM 1300 C PHE A 90 -9.773 10.010 -2.506 1.00 0.00 C ATOM 1301 O PHE A 90 -9.300 11.086 -2.147 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.064 8.215 -2.253 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.760 6.768 -1.862 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.179 5.746 -2.657 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.070 6.502 -0.721 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.896 4.403 -2.294 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.787 5.158 -0.359 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.206 4.137 -1.153 1.00 0.00 C ATOM 0 H PHE A 90 -10.143 7.063 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.413 8.938 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.026 8.303 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.282 8.861 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.727 5.957 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.737 7.313 -0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.229 3.592 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.239 4.947 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.991 3.115 -0.878 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.602 9.859 -3.529 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.022 10.998 -4.327 1.00 0.00 C ATOM 1319 C ASP A 91 -12.038 11.823 -3.534 1.00 0.00 C ATOM 1320 O ASP A 91 -12.071 13.048 -3.647 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.693 10.544 -5.625 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.978 10.977 -6.907 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.806 10.641 -7.128 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.686 11.699 -7.708 1.00 0.00 O ATOM 0 H ASP A 91 -10.994 8.965 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.137 11.587 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.767 9.457 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.711 10.933 -5.645 1.00 0.00 H new ATOM 1329 N MET A 92 -12.839 11.120 -2.748 1.00 0.00 N ATOM 1330 CA MET A 92 -13.853 11.773 -1.936 1.00 0.00 C ATOM 1331 C MET A 92 -13.253 12.302 -0.631 1.00 0.00 C ATOM 1332 O MET A 92 -13.585 13.402 -0.192 1.00 0.00 O ATOM 1333 CB MET A 92 -14.971 10.779 -1.618 1.00 0.00 C ATOM 1334 CG MET A 92 -16.098 11.454 -0.834 1.00 0.00 C ATOM 1335 SD MET A 92 -16.271 10.688 0.769 1.00 0.00 S ATOM 1336 CE MET A 92 -17.677 11.593 1.395 1.00 0.00 C ATOM 0 H MET A 92 -12.807 10.105 -2.656 1.00 0.00 H new ATOM 0 HA MET A 92 -14.254 12.616 -2.498 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.366 10.362 -2.544 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.569 9.947 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.885 12.517 -0.717 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.034 11.375 -1.387 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.922 11.238 2.396 1.00 0.00 H new ATOM 0 HE2 MET A 92 -17.437 12.655 1.436 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.532 11.439 0.736 1.00 0.00 H new ATOM 1344 N SER A 93 -12.379 11.494 -0.049 1.00 0.00 N ATOM 1345 CA SER A 93 -11.730 11.867 1.196 1.00 0.00 C ATOM 1346 C SER A 93 -10.811 13.069 0.968 1.00 0.00 C ATOM 1347 O SER A 93 -10.650 13.909 1.852 1.00 0.00 O ATOM 1348 CB SER A 93 -10.937 10.695 1.777 1.00 0.00 C ATOM 1349 OG SER A 93 -10.943 10.699 3.202 1.00 0.00 O ATOM 0 H SER A 93 -12.105 10.583 -0.417 1.00 0.00 H new ATOM 0 HA SER A 93 -12.502 12.140 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.359 9.757 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.909 10.740 1.419 1.00 0.00 H new ATOM 0 HG SER A 93 -10.428 9.934 3.533 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.230 13.112 -0.223 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.332 14.197 -0.578 1.00 0.00 C ATOM 1356 C GLY A 94 -7.964 14.015 0.082 1.00 0.00 C ATOM 1357 O GLY A 94 -7.057 14.818 -0.127 1.00 0.00 O ATOM 0 H GLY A 94 -10.364 12.413 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.215 14.237 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.765 15.148 -0.269 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.859 12.952 0.868 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.616 12.654 1.560 1.00 0.00 C ATOM 1363 C LEU A 95 -5.753 11.746 0.682 1.00 0.00 C ATOM 1364 O LEU A 95 -4.745 11.209 1.139 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.903 12.075 2.948 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.814 12.293 4.002 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.030 13.577 3.724 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.408 12.276 5.413 1.00 0.00 C ATOM 0 H LEU A 95 -8.614 12.288 1.040 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.046 13.567 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.831 12.511 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.073 11.003 2.845 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.107 11.466 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.263 13.708 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.558 13.510 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.709 14.429 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.615 12.433 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.149 13.070 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.884 11.313 5.596 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.178 11.604 -0.565 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.457 10.771 -1.512 1.00 0.00 C ATOM 1381 C PHE A 96 -3.957 11.068 -1.470 1.00 0.00 C ATOM 1382 O PHE A 96 -3.138 10.174 -1.679 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.993 11.109 -2.903 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.310 9.884 -3.763 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.677 8.703 -3.524 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.224 9.974 -4.767 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.971 7.566 -4.322 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.517 8.837 -5.564 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.884 7.657 -5.325 1.00 0.00 C ATOM 0 H PHE A 96 -7.013 12.052 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.599 9.719 -1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.897 11.709 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.260 11.726 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.951 8.631 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.727 10.911 -4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.469 6.629 -4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.243 8.909 -6.361 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.107 6.792 -5.932 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.642 12.326 -1.200 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.254 12.752 -1.128 1.00 0.00 C ATOM 1400 C LYS A 97 -1.556 12.007 0.012 1.00 0.00 C ATOM 1401 O LYS A 97 -0.331 11.890 0.022 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.166 14.274 -1.013 1.00 0.00 C ATOM 1403 CG LYS A 97 -2.970 14.955 -2.123 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.454 14.545 -3.504 1.00 0.00 C ATOM 1405 CE LYS A 97 -2.300 15.763 -4.416 1.00 0.00 C ATOM 1406 NZ LYS A 97 -1.045 16.485 -4.108 1.00 0.00 N ATOM 0 H LYS A 97 -4.324 13.065 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.728 12.495 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.541 14.591 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.123 14.587 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.023 14.688 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.904 16.037 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.494 14.039 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.143 13.832 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.298 15.446 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.152 16.431 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.956 17.309 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.062 16.804 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.234 15.850 -4.253 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.364 11.523 0.944 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.838 10.794 2.085 1.00 0.00 C ATOM 1417 C ILE A 98 -1.639 9.327 1.699 1.00 0.00 C ATOM 1418 O ILE A 98 -1.036 8.561 2.449 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.737 10.992 3.307 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.923 11.456 4.517 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.540 9.726 3.608 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -2.192 10.566 5.732 1.00 0.00 C ATOM 0 H ILE A 98 -3.379 11.622 0.932 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.861 11.184 2.370 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.454 11.781 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.860 11.435 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.176 12.489 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.171 9.894 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.166 9.480 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.857 8.901 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.601 10.917 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.251 10.608 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.915 9.538 5.498 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.158 8.980 0.530 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.045 7.618 0.036 1.00 0.00 C ATOM 1435 C ILE A 99 -1.193 7.610 -1.235 1.00 0.00 C ATOM 1436 O ILE A 99 -0.742 6.555 -1.679 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.430 6.998 -0.149 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.846 6.204 1.092 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.486 6.147 -1.418 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -4.835 7.001 1.947 1.00 0.00 C ATOM 0 H ILE A 99 -2.658 9.618 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.535 6.990 0.766 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.151 7.806 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.300 5.260 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.964 5.958 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.482 5.718 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.265 6.770 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.751 5.345 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.114 6.414 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.370 7.933 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.726 7.224 1.360 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.998 8.800 -1.786 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.210 8.944 -2.997 1.00 0.00 C ATOM 1453 C ARG A 100 -0.371 7.708 -3.885 1.00 0.00 C ATOM 1454 O ARG A 100 0.405 6.760 -3.782 1.00 0.00 O ATOM 1455 CB ARG A 100 1.272 9.137 -2.669 1.00 0.00 C ATOM 1456 CG ARG A 100 1.867 10.290 -3.481 1.00 0.00 C ATOM 1457 CD ARG A 100 2.145 9.860 -4.922 1.00 0.00 C ATOM 1458 NE ARG A 100 3.166 10.745 -5.527 1.00 0.00 N ATOM 1459 CZ ARG A 100 3.405 10.830 -6.853 1.00 0.00 C ATOM 1460 NH1 ARG A 100 2.696 10.083 -7.726 1.00 0.00 N ATOM 1461 NH2 ARG A 100 4.341 11.655 -7.283 1.00 0.00 N ATOM 0 H ARG A 100 -1.373 9.673 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.572 9.826 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.389 9.339 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.818 8.218 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.179 11.136 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.792 10.629 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.490 8.826 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.225 9.900 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 100 3.724 11.327 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.974 9.449 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.883 10.153 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.871 12.216 -6.617 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.534 11.731 -8.282 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.383 7.761 -4.738 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.657 6.658 -5.644 1.00 0.00 C ATOM 1473 C PHE A 101 -1.371 7.055 -7.094 1.00 0.00 C ATOM 1474 O PHE A 101 -1.135 8.226 -7.386 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.143 6.320 -5.504 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.451 4.824 -5.586 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.495 4.205 -6.796 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.684 4.114 -4.450 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.782 2.816 -6.873 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.971 2.726 -4.527 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.014 2.106 -5.736 1.00 0.00 C ATOM 0 H PHE A 101 -2.024 8.550 -4.821 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.022 5.808 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.504 6.703 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.698 6.838 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.312 4.769 -7.698 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.651 4.606 -3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.816 2.324 -7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.155 2.162 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.232 1.050 -5.794 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.401 6.056 -7.965 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.148 6.287 -9.376 1.00 0.00 C ATOM 1492 C GLU A 102 -2.038 5.381 -10.229 1.00 0.00 C ATOM 1493 O GLU A 102 -3.179 5.103 -9.865 1.00 0.00 O ATOM 1494 CB GLU A 102 0.330 6.075 -9.710 1.00 0.00 C ATOM 1495 CG GLU A 102 0.874 7.234 -10.548 1.00 0.00 C ATOM 1496 CD GLU A 102 0.895 6.873 -12.035 1.00 0.00 C ATOM 1497 OE1 GLU A 102 1.498 5.859 -12.418 1.00 0.00 O ATOM 1498 OE2 GLU A 102 0.255 7.689 -12.803 1.00 0.00 O ATOM 0 H GLU A 102 -1.597 5.085 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.393 7.324 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.906 5.986 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.453 5.139 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.258 8.120 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.882 7.485 -10.217 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.482 4.945 -11.351 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.211 4.076 -12.259 1.00 0.00 C ATOM 1506 C GLN A 103 -1.247 3.129 -12.975 1.00 0.00 C ATOM 1507 O GLN A 103 -0.749 3.444 -14.055 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.026 4.893 -13.264 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.599 6.152 -12.611 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.265 7.056 -13.651 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.829 6.603 -14.634 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -4.165 8.354 -13.382 1.00 0.00 N ATOM 0 H GLN A 103 -0.535 5.178 -11.651 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.911 3.478 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.395 5.172 -14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.838 4.283 -13.661 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.326 5.872 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.803 6.698 -12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.679 8.665 -12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.574 9.039 -14.017 1.00 0.00 H new ATOM 1519 N SER A 104 -1.013 1.986 -12.345 1.00 0.00 N ATOM 1520 CA SER A 104 -0.118 0.990 -12.909 1.00 0.00 C ATOM 1521 C SER A 104 1.194 1.650 -13.338 1.00 0.00 C ATOM 1522 O SER A 104 2.255 1.339 -12.799 1.00 0.00 O ATOM 1523 CB SER A 104 -0.765 0.276 -14.097 1.00 0.00 C ATOM 1524 OG SER A 104 0.165 -0.540 -14.803 1.00 0.00 O ATOM 0 H SER A 104 -1.428 1.728 -11.450 1.00 0.00 H new ATOM 0 HA SER A 104 0.090 0.244 -12.142 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.591 -0.340 -13.743 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.188 1.015 -14.777 1.00 0.00 H new ATOM 0 HG SER A 104 -0.288 -0.979 -15.553 1.00 0.00 H new ATOM 1529 N GLU A 105 1.080 2.549 -14.305 1.00 0.00 N ATOM 1530 CA GLU A 105 2.244 3.255 -14.812 1.00 0.00 C ATOM 1531 C GLU A 105 3.240 3.518 -13.682 1.00 0.00 C ATOM 1532 O GLU A 105 4.447 3.568 -13.912 1.00 0.00 O ATOM 1533 CB GLU A 105 1.837 4.561 -15.499 1.00 0.00 C ATOM 1534 CG GLU A 105 3.068 5.379 -15.895 1.00 0.00 C ATOM 1535 CD GLU A 105 2.904 5.973 -17.295 1.00 0.00 C ATOM 1536 OE1 GLU A 105 3.115 5.271 -18.295 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.542 7.211 -17.324 1.00 0.00 O ATOM 0 H GLU A 105 0.199 2.804 -14.751 1.00 0.00 H new ATOM 0 HA GLU A 105 2.729 2.626 -15.558 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.242 4.340 -16.385 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.206 5.147 -14.830 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.225 6.180 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.955 4.746 -15.866 1.00 0.00 H new ATOM 1543 N GLN A 106 2.697 3.678 -12.484 1.00 0.00 N ATOM 1544 CA GLN A 106 3.524 3.935 -11.316 1.00 0.00 C ATOM 1545 C GLN A 106 4.393 2.714 -11.002 1.00 0.00 C ATOM 1546 O GLN A 106 5.245 2.765 -10.117 1.00 0.00 O ATOM 1547 CB GLN A 106 2.666 4.322 -10.111 1.00 0.00 C ATOM 1548 CG GLN A 106 3.417 4.076 -8.801 1.00 0.00 C ATOM 1549 CD GLN A 106 2.876 4.968 -7.682 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.374 6.050 -7.419 1.00 0.00 O ATOM 1551 NE2 GLN A 106 1.828 4.456 -7.041 1.00 0.00 N ATOM 0 H GLN A 106 1.695 3.635 -12.297 1.00 0.00 H new ATOM 0 HA GLN A 106 4.180 4.777 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.386 5.373 -10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.741 3.745 -10.118 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.321 3.029 -8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.480 4.271 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.460 3.544 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.393 4.976 -6.279 1.00 0.00 H new ATOM 1558 N GLN A 107 4.145 1.644 -11.745 1.00 0.00 N ATOM 1559 CA GLN A 107 4.892 0.413 -11.557 1.00 0.00 C ATOM 1560 C GLN A 107 6.348 0.725 -11.202 1.00 0.00 C ATOM 1561 O GLN A 107 6.999 -0.049 -10.503 1.00 0.00 O ATOM 1562 CB GLN A 107 4.809 -0.475 -12.800 1.00 0.00 C ATOM 1563 CG GLN A 107 5.811 -1.628 -12.719 1.00 0.00 C ATOM 1564 CD GLN A 107 5.431 -2.607 -11.607 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.283 -2.723 -11.212 1.00 0.00 O ATOM 1566 NE2 GLN A 107 6.458 -3.302 -11.124 1.00 0.00 N ATOM 0 H GLN A 107 3.437 1.605 -12.478 1.00 0.00 H new ATOM 0 HA GLN A 107 4.446 -0.137 -10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.799 -0.873 -12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.007 0.121 -13.691 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.845 -2.152 -13.674 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.811 -1.234 -12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.395 -3.156 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.308 -3.981 -10.378 1.00 0.00 H new ATOM 1573 N ALA A 108 6.815 1.860 -11.702 1.00 0.00 N ATOM 1574 CA ALA A 108 8.181 2.283 -11.447 1.00 0.00 C ATOM 1575 C ALA A 108 8.223 3.108 -10.159 1.00 0.00 C ATOM 1576 O ALA A 108 9.067 2.876 -9.296 1.00 0.00 O ATOM 1577 CB ALA A 108 8.709 3.060 -12.655 1.00 0.00 C ATOM 0 H ALA A 108 6.272 2.499 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 108 8.830 1.419 -11.306 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.734 3.377 -12.464 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.686 2.420 -13.537 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.084 3.936 -12.826 1.00 0.00 H new ATOM 1583 N LEU A 109 7.300 4.056 -10.071 1.00 0.00 N ATOM 1584 CA LEU A 109 7.221 4.916 -8.903 1.00 0.00 C ATOM 1585 C LEU A 109 6.951 4.063 -7.663 1.00 0.00 C ATOM 1586 O LEU A 109 7.353 4.422 -6.557 1.00 0.00 O ATOM 1587 CB LEU A 109 6.190 6.025 -9.124 1.00 0.00 C ATOM 1588 CG LEU A 109 6.742 7.449 -9.207 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.850 8.078 -7.816 1.00 0.00 C ATOM 1590 CD2 LEU A 109 8.078 7.476 -9.952 1.00 0.00 C ATOM 0 H LEU A 109 6.601 4.247 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 109 8.171 5.424 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.649 5.812 -10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.464 5.985 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 109 6.040 8.054 -9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.245 9.090 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.863 8.113 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.519 7.480 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.449 8.500 -9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.800 6.851 -9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.938 7.096 -10.964 1.00 0.00 H new ATOM 1601 N LEU A 110 6.272 2.947 -7.888 1.00 0.00 N ATOM 1602 CA LEU A 110 5.944 2.039 -6.802 1.00 0.00 C ATOM 1603 C LEU A 110 7.204 1.751 -5.984 1.00 0.00 C ATOM 1604 O LEU A 110 7.161 1.736 -4.755 1.00 0.00 O ATOM 1605 CB LEU A 110 5.261 0.781 -7.344 1.00 0.00 C ATOM 1606 CG LEU A 110 4.262 0.104 -6.404 1.00 0.00 C ATOM 1607 CD1 LEU A 110 2.986 0.939 -6.265 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.964 -1.326 -6.859 1.00 0.00 C ATOM 0 H LEU A 110 5.940 2.651 -8.806 1.00 0.00 H new ATOM 0 HA LEU A 110 5.224 2.499 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.743 1.042 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.032 0.057 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 110 4.714 0.040 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.293 0.435 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.235 1.920 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.520 1.057 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.251 -1.785 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.541 -1.308 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.887 -1.906 -6.864 1.00 0.00 H new ATOM 1619 N THR A 111 8.297 1.530 -6.700 1.00 0.00 N ATOM 1620 CA THR A 111 9.567 1.244 -6.056 1.00 0.00 C ATOM 1621 C THR A 111 9.980 2.405 -5.150 1.00 0.00 C ATOM 1622 O THR A 111 11.028 2.354 -4.508 1.00 0.00 O ATOM 1623 CB THR A 111 10.591 0.932 -7.150 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.771 -0.479 -7.066 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.975 1.504 -6.835 1.00 0.00 C ATOM 0 H THR A 111 8.329 1.543 -7.719 1.00 0.00 H new ATOM 0 HA THR A 111 9.492 0.375 -5.402 1.00 0.00 H new ATOM 0 HB THR A 111 10.240 1.333 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.419 -0.767 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.664 1.255 -7.642 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.907 2.588 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.341 1.078 -5.901 1.00 0.00 H new ATOM 1633 N LEU A 112 9.134 3.424 -5.126 1.00 0.00 N ATOM 1634 CA LEU A 112 9.398 4.596 -4.309 1.00 0.00 C ATOM 1635 C LEU A 112 9.916 5.728 -5.200 1.00 0.00 C ATOM 1636 O LEU A 112 10.517 6.682 -4.709 1.00 0.00 O ATOM 1637 CB LEU A 112 10.338 4.244 -3.154 1.00 0.00 C ATOM 1638 CG LEU A 112 11.788 4.708 -3.303 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.154 5.722 -2.219 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.747 3.516 -3.321 1.00 0.00 C ATOM 0 H LEU A 112 8.265 3.462 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 112 8.478 4.951 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.932 4.674 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.335 3.161 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 112 11.887 5.214 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.190 6.035 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.500 6.590 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.033 5.264 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.771 3.874 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.653 2.959 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.501 2.864 -4.159 1.00 0.00 H new ATOM 1651 N GLY A 113 9.663 5.584 -6.492 1.00 0.00 N ATOM 1652 CA GLY A 113 10.096 6.581 -7.455 1.00 0.00 C ATOM 1653 C GLY A 113 11.569 6.938 -7.250 1.00 0.00 C ATOM 1654 O GLY A 113 12.024 7.993 -7.693 1.00 0.00 O ATOM 0 H GLY A 113 9.163 4.791 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.947 6.203 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.484 7.477 -7.356 1.00 0.00 H new ATOM 1658 N VAL A 114 12.275 6.041 -6.579 1.00 0.00 N ATOM 1659 CA VAL A 114 13.687 6.248 -6.309 1.00 0.00 C ATOM 1660 C VAL A 114 14.392 4.892 -6.233 1.00 0.00 C ATOM 1661 O VAL A 114 14.678 4.398 -5.144 1.00 0.00 O ATOM 1662 CB VAL A 114 13.862 7.084 -5.039 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.213 6.804 -4.380 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.694 8.575 -5.338 1.00 0.00 C ATOM 0 H VAL A 114 11.895 5.168 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 114 14.151 6.811 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 114 13.081 6.794 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.312 7.411 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.277 5.749 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.015 7.053 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.823 9.147 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.442 8.886 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.697 8.755 -5.741 1.00 0.00 H new ATOM 1674 N ALA A 115 14.651 4.329 -7.404 1.00 0.00 N ATOM 1675 CA ALA A 115 15.316 3.040 -7.485 1.00 0.00 C ATOM 1676 C ALA A 115 15.110 2.451 -8.882 1.00 0.00 C ATOM 1677 O ALA A 115 14.083 1.833 -9.154 1.00 0.00 O ATOM 1678 CB ALA A 115 14.787 2.122 -6.381 1.00 0.00 C ATOM 0 H ALA A 115 14.412 4.743 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 115 16.389 3.152 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.286 1.155 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.985 2.572 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.713 1.985 -6.506 1.00 0.00 H new