USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 7 GLN : amide:sc= -0.135 K(o=-0.13,f=-2.1) USER MOD Single : A 8 MET CE :methyl -113:sc= -2.33 (180deg=-6.71!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= -1.13 (180deg=-4.68!) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.508 USER MOD Single : A 19 SER OG : rot -109:sc= -3.54! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 0.124 (180deg=-0.327) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -5.12! C(o=-5.1!,f=-7.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 51 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=-0.14) USER MOD Single : A 52 TYR OH : rot 54:sc= -3.32! USER MOD Single : A 54 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.057) USER MOD Single : A 55 SER OG : rot 7:sc= 0.946 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.173 (180deg=-0.542) USER MOD Single : A 62 HIS : no HD1:sc= -9.06! C(o=-9.1!,f=-4.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.266 6.009 2.145 1.00 0.00 N ATOM 2 CA ARG A 1 15.125 5.180 2.495 1.00 0.00 C ATOM 3 C ARG A 1 13.831 5.809 1.973 1.00 0.00 C ATOM 4 O ARG A 1 13.117 6.480 2.718 1.00 0.00 O ATOM 5 CB ARG A 1 15.020 5.001 4.011 1.00 0.00 C ATOM 6 CG ARG A 1 13.992 3.923 4.365 1.00 0.00 C ATOM 7 CD ARG A 1 12.894 4.489 5.267 1.00 0.00 C ATOM 8 NE ARG A 1 11.728 3.578 5.277 1.00 0.00 N ATOM 9 CZ ARG A 1 11.656 2.456 6.006 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.684 2.100 6.789 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.558 1.691 5.952 1.00 0.00 N ATOM 0 H1 ARG A 1 17.137 5.570 2.505 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.326 6.099 1.111 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.153 6.952 2.568 1.00 0.00 H new ATOM 0 HA ARG A 1 15.271 4.203 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 1 15.994 4.728 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.736 5.946 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.549 3.524 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.488 3.093 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.274 4.617 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.593 5.475 4.912 1.00 0.00 H new ATOM 0 HE ARG A 1 10.928 3.819 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.520 2.683 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.630 1.246 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.776 1.962 5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.504 0.837 6.507 1.00 0.00 H new ATOM 25 N SER A 2 13.569 5.572 0.696 1.00 0.00 N ATOM 26 CA SER A 2 12.375 6.108 0.065 1.00 0.00 C ATOM 27 C SER A 2 12.335 5.701 -1.410 1.00 0.00 C ATOM 28 O SER A 2 13.316 5.872 -2.131 1.00 0.00 O ATOM 29 CB SER A 2 12.317 7.631 0.198 1.00 0.00 C ATOM 30 OG SER A 2 11.168 8.179 -0.442 1.00 0.00 O ATOM 0 H SER A 2 14.163 5.016 0.081 1.00 0.00 H new ATOM 0 HA SER A 2 11.504 5.694 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.308 7.903 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.217 8.067 -0.236 1.00 0.00 H new ATOM 0 HG SER A 2 11.166 9.153 -0.333 1.00 0.00 H new ATOM 36 N ALA A 3 11.190 5.171 -1.813 1.00 0.00 N ATOM 37 CA ALA A 3 11.009 4.740 -3.189 1.00 0.00 C ATOM 38 C ALA A 3 9.563 4.281 -3.389 1.00 0.00 C ATOM 39 O ALA A 3 8.662 4.733 -2.685 1.00 0.00 O ATOM 40 CB ALA A 3 12.021 3.639 -3.515 1.00 0.00 C ATOM 0 H ALA A 3 10.378 5.030 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 3 11.191 5.565 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.886 3.315 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.032 4.024 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.866 2.793 -2.846 1.00 0.00 H new ATOM 46 N LEU A 4 9.387 3.389 -4.353 1.00 0.00 N ATOM 47 CA LEU A 4 8.066 2.864 -4.654 1.00 0.00 C ATOM 48 C LEU A 4 7.318 2.598 -3.348 1.00 0.00 C ATOM 49 O LEU A 4 6.115 2.840 -3.257 1.00 0.00 O ATOM 50 CB LEU A 4 8.171 1.638 -5.564 1.00 0.00 C ATOM 51 CG LEU A 4 7.476 1.749 -6.922 1.00 0.00 C ATOM 52 CD1 LEU A 4 5.986 2.050 -6.752 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.172 2.781 -7.812 1.00 0.00 C ATOM 0 H LEU A 4 10.137 3.017 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 4 7.483 3.597 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.227 1.426 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.755 0.781 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 4 7.554 0.785 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.516 2.124 -7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.515 1.248 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.864 2.993 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.658 2.840 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.147 3.756 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.208 2.483 -7.973 1.00 0.00 H new ATOM 65 N SER A 5 8.059 2.103 -2.367 1.00 0.00 N ATOM 66 CA SER A 5 7.481 1.801 -1.070 1.00 0.00 C ATOM 67 C SER A 5 6.496 2.900 -0.667 1.00 0.00 C ATOM 68 O SER A 5 5.327 2.626 -0.404 1.00 0.00 O ATOM 69 CB SER A 5 8.568 1.646 -0.004 1.00 0.00 C ATOM 70 OG SER A 5 9.455 2.760 0.020 1.00 0.00 O ATOM 0 H SER A 5 9.056 1.904 -2.446 1.00 0.00 H new ATOM 0 HA SER A 5 6.948 0.854 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.102 1.532 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.135 0.735 -0.195 1.00 0.00 H new ATOM 0 HG SER A 5 10.133 2.624 0.714 1.00 0.00 H new ATOM 76 N CYS A 6 7.006 4.123 -0.632 1.00 0.00 N ATOM 77 CA CYS A 6 6.187 5.265 -0.265 1.00 0.00 C ATOM 78 C CYS A 6 4.930 5.255 -1.138 1.00 0.00 C ATOM 79 O CYS A 6 3.823 5.070 -0.636 1.00 0.00 O ATOM 80 CB CYS A 6 6.960 6.580 -0.393 1.00 0.00 C ATOM 81 SG CYS A 6 5.923 8.087 -0.342 1.00 0.00 S ATOM 0 H CYS A 6 7.976 4.347 -0.852 1.00 0.00 H new ATOM 0 HA CYS A 6 5.901 5.188 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.694 6.634 0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.515 6.569 -1.331 1.00 0.00 H new ATOM 86 N GLN A 7 5.145 5.456 -2.430 1.00 0.00 N ATOM 87 CA GLN A 7 4.043 5.473 -3.378 1.00 0.00 C ATOM 88 C GLN A 7 3.066 4.336 -3.075 1.00 0.00 C ATOM 89 O GLN A 7 1.873 4.572 -2.885 1.00 0.00 O ATOM 90 CB GLN A 7 4.557 5.384 -4.817 1.00 0.00 C ATOM 91 CG GLN A 7 3.468 5.789 -5.813 1.00 0.00 C ATOM 92 CD GLN A 7 3.353 7.312 -5.911 1.00 0.00 C ATOM 93 OE1 GLN A 7 3.842 8.052 -5.074 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.680 7.735 -6.977 1.00 0.00 N ATOM 0 H GLN A 7 6.065 5.608 -2.843 1.00 0.00 H new ATOM 0 HA GLN A 7 3.513 6.420 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.425 6.032 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.887 4.367 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.696 5.374 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.512 5.368 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.297 7.060 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.547 8.734 -7.133 1.00 0.00 H new ATOM 103 N MET A 8 3.606 3.127 -3.038 1.00 0.00 N ATOM 104 CA MET A 8 2.796 1.953 -2.761 1.00 0.00 C ATOM 105 C MET A 8 1.936 2.163 -1.513 1.00 0.00 C ATOM 106 O MET A 8 0.869 1.563 -1.381 1.00 0.00 O ATOM 107 CB MET A 8 3.706 0.740 -2.556 1.00 0.00 C ATOM 108 CG MET A 8 4.442 0.383 -3.849 1.00 0.00 C ATOM 109 SD MET A 8 5.831 -0.679 -3.486 1.00 0.00 S ATOM 110 CE MET A 8 5.883 -1.644 -4.987 1.00 0.00 C ATOM 0 H MET A 8 4.595 2.935 -3.195 1.00 0.00 H new ATOM 0 HA MET A 8 2.135 1.782 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.429 0.952 -1.768 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.113 -0.112 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.762 -0.117 -4.539 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.787 1.291 -4.344 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.623 -2.679 -4.764 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.171 -1.238 -5.706 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.887 -1.606 -5.410 1.00 0.00 H new ATOM 120 N CYS A 9 2.430 3.015 -0.628 1.00 0.00 N ATOM 121 CA CYS A 9 1.721 3.312 0.604 1.00 0.00 C ATOM 122 C CYS A 9 0.429 4.050 0.249 1.00 0.00 C ATOM 123 O CYS A 9 -0.587 3.891 0.925 1.00 0.00 O ATOM 124 CB CYS A 9 2.587 4.114 1.577 1.00 0.00 C ATOM 125 SG CYS A 9 2.323 5.924 1.527 1.00 0.00 S ATOM 0 H CYS A 9 3.315 3.510 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 9 1.478 2.383 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.393 3.761 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.636 3.908 1.363 1.00 0.00 H new ATOM 130 N GLU A 10 0.509 4.840 -0.811 1.00 0.00 N ATOM 131 CA GLU A 10 -0.641 5.603 -1.265 1.00 0.00 C ATOM 132 C GLU A 10 -1.593 4.707 -2.060 1.00 0.00 C ATOM 133 O GLU A 10 -2.704 5.117 -2.395 1.00 0.00 O ATOM 134 CB GLU A 10 -0.206 6.812 -2.095 1.00 0.00 C ATOM 135 CG GLU A 10 -1.281 7.900 -2.086 1.00 0.00 C ATOM 136 CD GLU A 10 -0.850 9.104 -2.925 1.00 0.00 C ATOM 137 OE1 GLU A 10 0.223 9.660 -2.608 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.603 9.442 -3.864 1.00 0.00 O ATOM 0 H GLU A 10 1.353 4.968 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.171 5.977 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.726 7.214 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.007 6.501 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.215 7.496 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.474 8.217 -1.061 1.00 0.00 H new ATOM 146 N LEU A 11 -1.125 3.499 -2.338 1.00 0.00 N ATOM 147 CA LEU A 11 -1.919 2.541 -3.087 1.00 0.00 C ATOM 148 C LEU A 11 -2.764 1.715 -2.115 1.00 0.00 C ATOM 149 O LEU A 11 -3.947 1.480 -2.358 1.00 0.00 O ATOM 150 CB LEU A 11 -1.025 1.696 -3.996 1.00 0.00 C ATOM 151 CG LEU A 11 -1.725 0.588 -4.785 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.776 1.171 -5.731 1.00 0.00 C ATOM 153 CD2 LEU A 11 -0.710 -0.285 -5.525 1.00 0.00 C ATOM 0 H LEU A 11 -0.204 3.162 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.611 3.058 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.529 2.360 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.245 1.242 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.248 -0.056 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.259 0.363 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.523 1.715 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.295 1.851 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.235 -1.064 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.139 0.331 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.032 -0.744 -4.806 1.00 0.00 H new ATOM 165 N VAL A 12 -2.123 1.295 -1.033 1.00 0.00 N ATOM 166 CA VAL A 12 -2.800 0.501 -0.023 1.00 0.00 C ATOM 167 C VAL A 12 -3.858 1.361 0.672 1.00 0.00 C ATOM 168 O VAL A 12 -5.019 0.966 0.768 1.00 0.00 O ATOM 169 CB VAL A 12 -1.779 -0.091 0.949 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.714 -0.897 0.201 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.137 1.003 1.805 1.00 0.00 C ATOM 0 H VAL A 12 -1.142 1.490 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.317 -0.341 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.308 -0.771 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.000 -1.307 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.191 -1.712 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.192 -0.247 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.415 0.554 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.629 1.719 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.909 1.516 2.379 1.00 0.00 H new ATOM 181 N VAL A 13 -3.419 2.521 1.138 1.00 0.00 N ATOM 182 CA VAL A 13 -4.314 3.439 1.822 1.00 0.00 C ATOM 183 C VAL A 13 -5.460 3.821 0.883 1.00 0.00 C ATOM 184 O VAL A 13 -6.629 3.616 1.210 1.00 0.00 O ATOM 185 CB VAL A 13 -3.530 4.651 2.331 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.446 4.225 3.323 1.00 0.00 C ATOM 187 CG2 VAL A 13 -2.930 5.443 1.168 1.00 0.00 C ATOM 0 H VAL A 13 -2.456 2.846 1.055 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.755 2.962 2.697 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.226 5.305 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.904 5.105 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.908 3.725 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.753 3.541 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.378 6.299 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.254 4.802 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.730 5.793 0.515 1.00 0.00 H new ATOM 197 N LYS A 14 -5.087 4.367 -0.264 1.00 0.00 N ATOM 198 CA LYS A 14 -6.069 4.779 -1.252 1.00 0.00 C ATOM 199 C LYS A 14 -7.106 3.668 -1.428 1.00 0.00 C ATOM 200 O LYS A 14 -8.270 3.940 -1.719 1.00 0.00 O ATOM 201 CB LYS A 14 -5.380 5.187 -2.556 1.00 0.00 C ATOM 202 CG LYS A 14 -6.409 5.548 -3.630 1.00 0.00 C ATOM 203 CD LYS A 14 -6.464 4.473 -4.718 1.00 0.00 C ATOM 204 CE LYS A 14 -6.289 5.089 -6.107 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.107 4.030 -7.124 1.00 0.00 N ATOM 0 H LYS A 14 -4.117 4.534 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.604 5.665 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.725 6.039 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.751 4.370 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.393 5.660 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.153 6.509 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.683 3.733 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.418 3.947 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.161 5.694 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.427 5.756 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.990 4.465 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.262 3.470 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.942 3.410 -7.132 1.00 0.00 H new ATOM 219 N LYS A 15 -6.648 2.439 -1.242 1.00 0.00 N ATOM 220 CA LYS A 15 -7.521 1.285 -1.376 1.00 0.00 C ATOM 221 C LYS A 15 -8.301 1.088 -0.075 1.00 0.00 C ATOM 222 O LYS A 15 -9.475 0.723 -0.099 1.00 0.00 O ATOM 223 CB LYS A 15 -6.721 0.054 -1.807 1.00 0.00 C ATOM 224 CG LYS A 15 -6.351 0.131 -3.289 1.00 0.00 C ATOM 225 CD LYS A 15 -7.604 0.138 -4.167 1.00 0.00 C ATOM 226 CE LYS A 15 -7.258 -0.187 -5.620 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.354 -0.952 -6.257 1.00 0.00 N ATOM 0 H LYS A 15 -5.683 2.217 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.254 1.451 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.815 -0.024 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.305 -0.847 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.767 1.032 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.721 -0.718 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.321 -0.590 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.084 1.115 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.082 0.736 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.334 -0.764 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.456 -0.653 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.134 -1.968 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.243 -0.774 -5.748 1.00 0.00 H new ATOM 241 N TYR A 16 -7.616 1.339 1.032 1.00 0.00 N ATOM 242 CA TYR A 16 -8.229 1.192 2.341 1.00 0.00 C ATOM 243 C TYR A 16 -9.222 2.325 2.610 1.00 0.00 C ATOM 244 O TYR A 16 -10.425 2.091 2.710 1.00 0.00 O ATOM 245 CB TYR A 16 -7.087 1.279 3.355 1.00 0.00 C ATOM 246 CG TYR A 16 -7.514 1.012 4.800 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.826 0.688 5.082 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.589 1.095 5.820 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.229 0.436 6.440 1.00 0.00 C ATOM 250 CE2 TYR A 16 -6.991 0.843 7.179 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.292 0.526 7.423 1.00 0.00 C ATOM 252 OH TYR A 16 -8.672 0.289 8.707 1.00 0.00 O ATOM 0 H TYR A 16 -6.643 1.643 1.049 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.774 0.250 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.314 0.563 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.639 2.271 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.550 0.624 4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.563 1.349 5.599 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.252 0.181 6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.277 0.904 7.987 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.414 -0.351 8.716 1.00 0.00 H new ATOM 262 N GLU A 17 -8.680 3.530 2.720 1.00 0.00 N ATOM 263 CA GLU A 17 -9.503 4.700 2.976 1.00 0.00 C ATOM 264 C GLU A 17 -10.740 4.686 2.077 1.00 0.00 C ATOM 265 O GLU A 17 -11.844 4.985 2.529 1.00 0.00 O ATOM 266 CB GLU A 17 -8.699 5.988 2.783 1.00 0.00 C ATOM 267 CG GLU A 17 -7.637 6.139 3.874 1.00 0.00 C ATOM 268 CD GLU A 17 -8.270 6.558 5.202 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.381 7.785 5.415 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.628 5.643 5.974 1.00 0.00 O ATOM 0 H GLU A 17 -7.681 3.721 2.636 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.833 4.668 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.221 5.979 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.370 6.847 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.106 5.196 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.900 6.881 3.568 1.00 0.00 H new ATOM 278 N GLY A 18 -10.515 4.334 0.819 1.00 0.00 N ATOM 279 CA GLY A 18 -11.598 4.276 -0.147 1.00 0.00 C ATOM 280 C GLY A 18 -11.824 2.843 -0.633 1.00 0.00 C ATOM 281 O GLY A 18 -11.864 2.590 -1.836 1.00 0.00 O ATOM 0 H GLY A 18 -9.598 4.086 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.513 4.659 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.367 4.920 -0.996 1.00 0.00 H new ATOM 285 N SER A 19 -11.966 1.942 0.328 1.00 0.00 N ATOM 286 CA SER A 19 -12.188 0.541 0.012 1.00 0.00 C ATOM 287 C SER A 19 -13.686 0.267 -0.132 1.00 0.00 C ATOM 288 O SER A 19 -14.116 -0.346 -1.109 1.00 0.00 O ATOM 289 CB SER A 19 -11.583 -0.368 1.086 1.00 0.00 C ATOM 290 OG SER A 19 -11.110 -1.597 0.542 1.00 0.00 O ATOM 0 H SER A 19 -11.932 2.155 1.325 1.00 0.00 H new ATOM 0 HA SER A 19 -11.693 0.321 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.760 0.151 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.332 -0.575 1.850 1.00 0.00 H new ATOM 0 HG SER A 19 -11.696 -2.328 0.828 1.00 0.00 H new ATOM 296 N ALA A 20 -14.438 0.733 0.853 1.00 0.00 N ATOM 297 CA ALA A 20 -15.879 0.546 0.847 1.00 0.00 C ATOM 298 C ALA A 20 -16.217 -0.799 1.491 1.00 0.00 C ATOM 299 O ALA A 20 -16.842 -1.653 0.864 1.00 0.00 O ATOM 300 CB ALA A 20 -16.402 0.655 -0.587 1.00 0.00 C ATOM 0 H ALA A 20 -14.077 1.240 1.661 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.370 1.324 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.483 0.515 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.162 1.640 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.934 -0.112 -1.204 1.00 0.00 H new ATOM 306 N ASP A 21 -15.788 -0.948 2.736 1.00 0.00 N ATOM 307 CA ASP A 21 -16.037 -2.176 3.472 1.00 0.00 C ATOM 308 C ASP A 21 -15.082 -2.253 4.664 1.00 0.00 C ATOM 309 O ASP A 21 -15.386 -2.899 5.667 1.00 0.00 O ATOM 310 CB ASP A 21 -15.796 -3.404 2.592 1.00 0.00 C ATOM 311 CG ASP A 21 -17.049 -4.215 2.254 1.00 0.00 C ATOM 312 OD1 ASP A 21 -17.759 -3.797 1.314 1.00 0.00 O ATOM 313 OD2 ASP A 21 -17.269 -5.234 2.944 1.00 0.00 O ATOM 0 H ASP A 21 -15.269 -0.238 3.254 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.076 -2.167 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.330 -3.079 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.083 -4.058 3.094 1.00 0.00 H new ATOM 319 N LYS A 22 -13.947 -1.587 4.517 1.00 0.00 N ATOM 320 CA LYS A 22 -12.946 -1.572 5.570 1.00 0.00 C ATOM 321 C LYS A 22 -12.378 -2.982 5.747 1.00 0.00 C ATOM 322 O LYS A 22 -12.278 -3.478 6.868 1.00 0.00 O ATOM 323 CB LYS A 22 -13.527 -0.978 6.854 1.00 0.00 C ATOM 324 CG LYS A 22 -14.447 0.204 6.544 1.00 0.00 C ATOM 325 CD LYS A 22 -13.712 1.276 5.737 1.00 0.00 C ATOM 326 CE LYS A 22 -14.226 2.674 6.085 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.096 3.601 6.312 1.00 0.00 N ATOM 0 H LYS A 22 -13.698 -1.053 3.684 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.114 -0.924 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.083 -1.744 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.717 -0.652 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.316 -0.144 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.817 0.635 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.642 1.218 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.847 1.090 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.854 3.048 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.850 2.627 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.463 4.545 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.512 3.251 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.517 3.660 5.450 1.00 0.00 H new ATOM 341 N ASP A 23 -12.018 -3.586 4.623 1.00 0.00 N ATOM 342 CA ASP A 23 -11.463 -4.928 4.641 1.00 0.00 C ATOM 343 C ASP A 23 -9.999 -4.875 4.200 1.00 0.00 C ATOM 344 O ASP A 23 -9.706 -4.598 3.038 1.00 0.00 O ATOM 345 CB ASP A 23 -12.214 -5.848 3.675 1.00 0.00 C ATOM 346 CG ASP A 23 -13.005 -5.128 2.580 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.583 -4.009 2.217 1.00 0.00 O ATOM 348 OD2 ASP A 23 -14.015 -5.713 2.132 1.00 0.00 O ATOM 0 H ASP A 23 -12.100 -3.170 3.695 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.555 -5.317 5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.496 -6.518 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.901 -6.470 4.249 1.00 0.00 H new ATOM 354 N ALA A 24 -9.118 -5.145 5.153 1.00 0.00 N ATOM 355 CA ALA A 24 -7.691 -5.131 4.878 1.00 0.00 C ATOM 356 C ALA A 24 -7.352 -6.268 3.912 1.00 0.00 C ATOM 357 O ALA A 24 -6.222 -6.363 3.433 1.00 0.00 O ATOM 358 CB ALA A 24 -6.917 -5.232 6.194 1.00 0.00 C ATOM 0 H ALA A 24 -9.365 -5.375 6.116 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.400 -4.195 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.847 -5.222 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.172 -4.386 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.180 -6.161 6.700 1.00 0.00 H new ATOM 364 N ASN A 25 -8.349 -7.100 3.654 1.00 0.00 N ATOM 365 CA ASN A 25 -8.170 -8.227 2.755 1.00 0.00 C ATOM 366 C ASN A 25 -8.401 -7.765 1.314 1.00 0.00 C ATOM 367 O ASN A 25 -7.533 -7.930 0.458 1.00 0.00 O ATOM 368 CB ASN A 25 -9.172 -9.341 3.060 1.00 0.00 C ATOM 369 CG ASN A 25 -8.514 -10.468 3.859 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.335 -11.578 3.385 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.163 -10.122 5.094 1.00 0.00 N ATOM 0 H ASN A 25 -9.284 -7.016 4.052 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.157 -8.607 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.013 -8.935 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.574 -9.738 2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.715 -10.803 5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.342 -9.175 5.429 1.00 0.00 H new ATOM 378 N VAL A 26 -9.577 -7.196 1.091 1.00 0.00 N ATOM 379 CA VAL A 26 -9.932 -6.709 -0.231 1.00 0.00 C ATOM 380 C VAL A 26 -9.156 -5.423 -0.523 1.00 0.00 C ATOM 381 O VAL A 26 -9.202 -4.906 -1.638 1.00 0.00 O ATOM 382 CB VAL A 26 -11.448 -6.527 -0.331 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.918 -6.629 -1.784 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.181 -7.538 0.554 1.00 0.00 C ATOM 0 H VAL A 26 -10.295 -7.062 1.803 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.653 -7.437 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.690 -5.527 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.999 -6.496 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.433 -5.855 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.657 -7.609 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.257 -7.387 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.929 -8.550 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.880 -7.398 1.592 1.00 0.00 H new ATOM 394 N ILE A 27 -8.461 -4.945 0.499 1.00 0.00 N ATOM 395 CA ILE A 27 -7.676 -3.730 0.366 1.00 0.00 C ATOM 396 C ILE A 27 -6.286 -4.082 -0.168 1.00 0.00 C ATOM 397 O ILE A 27 -5.997 -3.869 -1.344 1.00 0.00 O ATOM 398 CB ILE A 27 -7.650 -2.962 1.689 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.979 -2.244 1.931 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.462 -2.000 1.741 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.092 -1.774 3.383 1.00 0.00 C ATOM 0 H ILE A 27 -8.425 -5.377 1.422 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.135 -3.057 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.519 -3.680 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.062 -1.388 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.806 -2.914 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.467 -1.467 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.534 -2.563 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.538 -1.284 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.046 -1.267 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.033 -2.634 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.277 -1.085 3.607 1.00 0.00 H new ATOM 413 N LYS A 28 -5.462 -4.614 0.723 1.00 0.00 N ATOM 414 CA LYS A 28 -4.109 -4.997 0.357 1.00 0.00 C ATOM 415 C LYS A 28 -4.131 -5.684 -1.011 1.00 0.00 C ATOM 416 O LYS A 28 -3.233 -5.480 -1.826 1.00 0.00 O ATOM 417 CB LYS A 28 -3.475 -5.845 1.460 1.00 0.00 C ATOM 418 CG LYS A 28 -3.958 -7.295 1.384 1.00 0.00 C ATOM 419 CD LYS A 28 -3.150 -8.192 2.324 1.00 0.00 C ATOM 420 CE LYS A 28 -3.448 -7.861 3.788 1.00 0.00 C ATOM 421 NZ LYS A 28 -4.527 -8.731 4.307 1.00 0.00 N ATOM 0 H LYS A 28 -5.706 -4.789 1.698 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.476 -4.115 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.389 -5.814 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.724 -5.426 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.015 -7.344 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.867 -7.659 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.387 -9.238 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.085 -8.065 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.547 -7.992 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.741 -6.815 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.382 -8.895 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.447 -8.269 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.512 -9.641 3.804 1.00 0.00 H new ATOM 435 N LYS A 29 -5.167 -6.483 -1.220 1.00 0.00 N ATOM 436 CA LYS A 29 -5.318 -7.201 -2.474 1.00 0.00 C ATOM 437 C LYS A 29 -5.527 -6.196 -3.609 1.00 0.00 C ATOM 438 O LYS A 29 -4.894 -6.300 -4.658 1.00 0.00 O ATOM 439 CB LYS A 29 -6.432 -8.244 -2.363 1.00 0.00 C ATOM 440 CG LYS A 29 -5.884 -9.577 -1.846 1.00 0.00 C ATOM 441 CD LYS A 29 -6.990 -10.404 -1.186 1.00 0.00 C ATOM 442 CE LYS A 29 -8.230 -10.472 -2.079 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.979 -11.341 -3.250 1.00 0.00 N ATOM 0 H LYS A 29 -5.910 -6.649 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.411 -7.760 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.210 -7.881 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.896 -8.391 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.447 -10.140 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.085 -9.392 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.626 -11.412 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.254 -9.964 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.076 -10.856 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.500 -9.470 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.831 -11.376 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.186 -10.958 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.744 -12.301 -2.926 1.00 0.00 H new ATOM 457 N ASP A 30 -6.417 -5.247 -3.360 1.00 0.00 N ATOM 458 CA ASP A 30 -6.718 -4.226 -4.349 1.00 0.00 C ATOM 459 C ASP A 30 -5.412 -3.602 -4.844 1.00 0.00 C ATOM 460 O ASP A 30 -5.171 -3.531 -6.049 1.00 0.00 O ATOM 461 CB ASP A 30 -7.574 -3.111 -3.746 1.00 0.00 C ATOM 462 CG ASP A 30 -8.973 -2.973 -4.348 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.109 -3.295 -5.548 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.877 -2.548 -3.596 1.00 0.00 O ATOM 0 H ASP A 30 -6.939 -5.164 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.263 -4.698 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.672 -3.287 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.048 -2.164 -3.867 1.00 0.00 H new ATOM 470 N PHE A 31 -4.602 -3.166 -3.891 1.00 0.00 N ATOM 471 CA PHE A 31 -3.326 -2.551 -4.215 1.00 0.00 C ATOM 472 C PHE A 31 -2.593 -3.346 -5.298 1.00 0.00 C ATOM 473 O PHE A 31 -2.175 -2.785 -6.309 1.00 0.00 O ATOM 474 CB PHE A 31 -2.486 -2.560 -2.936 1.00 0.00 C ATOM 475 CG PHE A 31 -0.997 -2.297 -3.168 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.200 -3.282 -3.661 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.471 -1.076 -2.880 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.182 -3.038 -3.875 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.912 -0.832 -3.095 1.00 0.00 C ATOM 480 CZ PHE A 31 1.709 -1.817 -3.587 1.00 0.00 C ATOM 0 H PHE A 31 -4.805 -3.226 -2.893 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.486 -1.540 -4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.876 -1.806 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.602 -3.526 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.619 -4.251 -3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.104 -0.293 -2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.815 -3.821 -4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.331 0.137 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.760 -1.631 -3.749 1.00 0.00 H new ATOM 490 N ASP A 32 -2.461 -4.640 -5.049 1.00 0.00 N ATOM 491 CA ASP A 32 -1.787 -5.519 -5.990 1.00 0.00 C ATOM 492 C ASP A 32 -2.526 -5.488 -7.330 1.00 0.00 C ATOM 493 O ASP A 32 -1.911 -5.634 -8.385 1.00 0.00 O ATOM 494 CB ASP A 32 -1.780 -6.963 -5.487 1.00 0.00 C ATOM 495 CG ASP A 32 -0.477 -7.728 -5.732 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.229 -7.351 -6.694 1.00 0.00 O ATOM 497 OD2 ASP A 32 -0.216 -8.670 -4.955 1.00 0.00 O ATOM 0 H ASP A 32 -2.809 -5.102 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.760 -5.171 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.986 -6.960 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.596 -7.503 -5.967 1.00 0.00 H new ATOM 503 N ALA A 33 -3.834 -5.297 -7.242 1.00 0.00 N ATOM 504 CA ALA A 33 -4.664 -5.245 -8.435 1.00 0.00 C ATOM 505 C ALA A 33 -4.240 -4.053 -9.294 1.00 0.00 C ATOM 506 O ALA A 33 -3.682 -4.230 -10.376 1.00 0.00 O ATOM 507 CB ALA A 33 -6.138 -5.177 -8.029 1.00 0.00 C ATOM 0 H ALA A 33 -4.340 -5.176 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.532 -6.146 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.760 -5.138 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.396 -6.061 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.309 -4.284 -7.429 1.00 0.00 H new ATOM 513 N GLU A 34 -4.520 -2.864 -8.781 1.00 0.00 N ATOM 514 CA GLU A 34 -4.174 -1.643 -9.488 1.00 0.00 C ATOM 515 C GLU A 34 -2.730 -1.709 -9.989 1.00 0.00 C ATOM 516 O GLU A 34 -2.482 -1.629 -11.191 1.00 0.00 O ATOM 517 CB GLU A 34 -4.391 -0.415 -8.601 1.00 0.00 C ATOM 518 CG GLU A 34 -4.209 0.877 -9.398 1.00 0.00 C ATOM 519 CD GLU A 34 -4.929 0.795 -10.746 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.346 0.181 -11.666 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.046 1.349 -10.827 1.00 0.00 O ATOM 0 H GLU A 34 -4.983 -2.720 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.833 -1.548 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.393 -0.444 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.688 -0.435 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.596 1.720 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.147 1.063 -9.559 1.00 0.00 H new ATOM 529 N CYS A 35 -1.815 -1.856 -9.042 1.00 0.00 N ATOM 530 CA CYS A 35 -0.403 -1.935 -9.371 1.00 0.00 C ATOM 531 C CYS A 35 -0.238 -2.890 -10.555 1.00 0.00 C ATOM 532 O CYS A 35 0.312 -2.514 -11.589 1.00 0.00 O ATOM 533 CB CYS A 35 0.435 -2.370 -8.167 1.00 0.00 C ATOM 534 SG CYS A 35 2.246 -2.334 -8.440 1.00 0.00 S ATOM 0 H CYS A 35 -2.025 -1.922 -8.046 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.036 -0.947 -9.648 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.196 -1.723 -7.323 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.144 -3.382 -7.886 1.00 0.00 H new ATOM 539 N LYS A 36 -0.726 -4.107 -10.365 1.00 0.00 N ATOM 540 CA LYS A 36 -0.640 -5.119 -11.405 1.00 0.00 C ATOM 541 C LYS A 36 -0.906 -4.470 -12.765 1.00 0.00 C ATOM 542 O LYS A 36 -0.389 -4.924 -13.785 1.00 0.00 O ATOM 543 CB LYS A 36 -1.571 -6.291 -11.090 1.00 0.00 C ATOM 544 CG LYS A 36 -0.821 -7.408 -10.363 1.00 0.00 C ATOM 545 CD LYS A 36 0.291 -7.985 -11.242 1.00 0.00 C ATOM 546 CE LYS A 36 0.431 -9.493 -11.030 1.00 0.00 C ATOM 547 NZ LYS A 36 -0.539 -10.227 -11.872 1.00 0.00 N ATOM 0 H LYS A 36 -1.182 -4.415 -9.506 1.00 0.00 H new ATOM 0 HA LYS A 36 0.364 -5.541 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.401 -5.945 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.000 -6.678 -12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.394 -7.022 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.518 -8.199 -10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.074 -7.780 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.235 -7.492 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.445 -9.808 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.267 -9.735 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.430 -11.249 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.506 -9.939 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.364 -10.009 -12.874 1.00 0.00 H new ATOM 561 N LYS A 37 -1.710 -3.418 -12.735 1.00 0.00 N ATOM 562 CA LYS A 37 -2.049 -2.702 -13.954 1.00 0.00 C ATOM 563 C LYS A 37 -1.173 -1.453 -14.068 1.00 0.00 C ATOM 564 O LYS A 37 -0.493 -1.258 -15.074 1.00 0.00 O ATOM 565 CB LYS A 37 -3.550 -2.406 -14.000 1.00 0.00 C ATOM 566 CG LYS A 37 -4.367 -3.672 -13.738 1.00 0.00 C ATOM 567 CD LYS A 37 -5.430 -3.426 -12.664 1.00 0.00 C ATOM 568 CE LYS A 37 -6.570 -2.563 -13.209 1.00 0.00 C ATOM 569 NZ LYS A 37 -7.787 -3.381 -13.410 1.00 0.00 N ATOM 0 H LYS A 37 -2.136 -3.044 -11.887 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.841 -3.318 -14.828 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.798 -1.649 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.813 -1.994 -14.974 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.846 -3.998 -14.661 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.705 -4.478 -13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.826 -4.379 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.976 -2.934 -11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.782 -1.749 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.270 -2.108 -14.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.551 -2.781 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.585 -4.143 -14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.081 -3.795 -12.502 1.00 0.00 H new ATOM 583 N LEU A 38 -1.217 -0.640 -13.022 1.00 0.00 N ATOM 584 CA LEU A 38 -0.434 0.583 -12.993 1.00 0.00 C ATOM 585 C LEU A 38 1.008 0.272 -13.396 1.00 0.00 C ATOM 586 O LEU A 38 1.608 1.001 -14.186 1.00 0.00 O ATOM 587 CB LEU A 38 -0.557 1.265 -11.629 1.00 0.00 C ATOM 588 CG LEU A 38 0.738 1.397 -10.825 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.529 2.632 -11.260 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.453 1.399 -9.322 1.00 0.00 C ATOM 0 H LEU A 38 -1.782 -0.805 -12.189 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.820 1.299 -13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.971 2.262 -11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.278 0.708 -11.030 1.00 0.00 H new ATOM 0 HG LEU A 38 1.360 0.526 -11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.445 2.703 -10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.781 2.549 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.926 3.526 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.390 1.494 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.198 2.238 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.037 0.466 -9.043 1.00 0.00 H new ATOM 602 N PHE A 39 1.525 -0.812 -12.837 1.00 0.00 N ATOM 603 CA PHE A 39 2.886 -1.230 -13.128 1.00 0.00 C ATOM 604 C PHE A 39 2.905 -2.596 -13.815 1.00 0.00 C ATOM 605 O PHE A 39 3.681 -3.473 -13.437 1.00 0.00 O ATOM 606 CB PHE A 39 3.618 -1.334 -11.789 1.00 0.00 C ATOM 607 CG PHE A 39 4.234 -0.017 -11.312 1.00 0.00 C ATOM 608 CD1 PHE A 39 3.927 1.147 -11.945 1.00 0.00 C ATOM 609 CD2 PHE A 39 5.089 -0.010 -10.254 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.498 2.369 -11.503 1.00 0.00 C ATOM 611 CE2 PHE A 39 5.661 1.213 -9.812 1.00 0.00 C ATOM 612 CZ PHE A 39 5.353 2.376 -10.445 1.00 0.00 C ATOM 0 H PHE A 39 1.025 -1.414 -12.183 1.00 0.00 H new ATOM 0 HA PHE A 39 3.361 -0.512 -13.796 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.920 -1.692 -11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.406 -2.082 -11.875 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.248 1.141 -12.785 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.333 -0.934 -9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.254 3.293 -12.006 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.341 1.219 -8.973 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.787 3.306 -10.108 1.00 0.00 H new ATOM 622 N HIS A 40 2.042 -2.736 -14.810 1.00 0.00 N ATOM 623 CA HIS A 40 1.950 -3.981 -15.553 1.00 0.00 C ATOM 624 C HIS A 40 3.234 -4.196 -16.355 1.00 0.00 C ATOM 625 O HIS A 40 3.678 -5.329 -16.532 1.00 0.00 O ATOM 626 CB HIS A 40 0.695 -4.001 -16.426 1.00 0.00 C ATOM 627 CG HIS A 40 0.771 -3.096 -17.632 1.00 0.00 C ATOM 628 ND1 HIS A 40 0.801 -1.715 -17.533 1.00 0.00 N ATOM 629 CD2 HIS A 40 0.824 -3.387 -18.964 1.00 0.00 C ATOM 630 CE1 HIS A 40 0.869 -1.209 -18.755 1.00 0.00 C ATOM 631 NE2 HIS A 40 0.882 -2.246 -19.640 1.00 0.00 N ATOM 0 H HIS A 40 1.399 -2.007 -15.119 1.00 0.00 H new ATOM 0 HA HIS A 40 1.852 -4.816 -14.859 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.515 -5.022 -16.762 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.162 -3.709 -15.819 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.775 -1.178 -16.666 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.820 -4.377 -19.395 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.907 -0.159 -19.006 1.00 0.00 H new ATOM 640 N THR A 41 3.797 -3.089 -16.818 1.00 0.00 N ATOM 641 CA THR A 41 5.022 -3.143 -17.597 1.00 0.00 C ATOM 642 C THR A 41 6.229 -3.357 -16.681 1.00 0.00 C ATOM 643 O THR A 41 7.098 -4.176 -16.975 1.00 0.00 O ATOM 644 CB THR A 41 5.110 -1.861 -18.428 1.00 0.00 C ATOM 645 OG1 THR A 41 5.342 -0.837 -17.463 1.00 0.00 O ATOM 646 CG2 THR A 41 3.770 -1.479 -19.061 1.00 0.00 C ATOM 0 H THR A 41 3.427 -2.150 -16.668 1.00 0.00 H new ATOM 0 HA THR A 41 5.019 -3.992 -18.281 1.00 0.00 H new ATOM 0 HB THR A 41 5.858 -1.987 -19.211 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.414 0.029 -17.916 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.889 -0.563 -19.639 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.436 -2.282 -19.718 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.029 -1.320 -18.277 1.00 0.00 H new ATOM 654 N ILE A 42 6.243 -2.606 -15.589 1.00 0.00 N ATOM 655 CA ILE A 42 7.327 -2.704 -14.628 1.00 0.00 C ATOM 656 C ILE A 42 7.560 -4.175 -14.276 1.00 0.00 C ATOM 657 O ILE A 42 6.610 -4.948 -14.168 1.00 0.00 O ATOM 658 CB ILE A 42 7.049 -1.817 -13.413 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.862 -0.357 -13.831 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.144 -1.975 -12.356 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.144 0.589 -12.662 1.00 0.00 C ATOM 0 H ILE A 42 5.520 -1.927 -15.349 1.00 0.00 H new ATOM 0 HA ILE A 42 8.254 -2.329 -15.061 1.00 0.00 H new ATOM 0 HB ILE A 42 6.114 -2.144 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.529 -0.124 -14.661 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.844 -0.205 -14.189 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.922 -1.334 -11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.186 -3.014 -12.028 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.106 -1.691 -12.783 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.004 1.620 -12.986 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.459 0.370 -11.843 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.171 0.452 -12.323 1.00 0.00 H new ATOM 673 N PRO A 43 8.863 -4.525 -14.101 1.00 0.00 N ATOM 674 CA PRO A 43 9.232 -5.889 -13.763 1.00 0.00 C ATOM 675 C PRO A 43 8.919 -6.195 -12.298 1.00 0.00 C ATOM 676 O PRO A 43 7.793 -6.564 -11.964 1.00 0.00 O ATOM 677 CB PRO A 43 10.715 -5.987 -14.085 1.00 0.00 C ATOM 678 CG PRO A 43 11.222 -4.555 -14.151 1.00 0.00 C ATOM 679 CD PRO A 43 10.014 -3.635 -14.221 1.00 0.00 C ATOM 0 HA PRO A 43 8.665 -6.629 -14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.244 -6.554 -13.319 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.876 -6.503 -15.032 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.828 -4.324 -13.275 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.859 -4.416 -15.024 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.030 -2.898 -13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.991 -3.082 -15.160 1.00 0.00 H new ATOM 687 N PHE A 44 9.932 -6.030 -11.461 1.00 0.00 N ATOM 688 CA PHE A 44 9.778 -6.283 -10.038 1.00 0.00 C ATOM 689 C PHE A 44 8.554 -5.554 -9.481 1.00 0.00 C ATOM 690 O PHE A 44 7.974 -5.981 -8.483 1.00 0.00 O ATOM 691 CB PHE A 44 11.034 -5.746 -9.350 1.00 0.00 C ATOM 692 CG PHE A 44 11.067 -4.223 -9.216 1.00 0.00 C ATOM 693 CD1 PHE A 44 11.359 -3.451 -10.296 1.00 0.00 C ATOM 694 CD2 PHE A 44 10.804 -3.640 -8.015 1.00 0.00 C ATOM 695 CE1 PHE A 44 11.389 -2.036 -10.172 1.00 0.00 C ATOM 696 CE2 PHE A 44 10.834 -2.225 -7.891 1.00 0.00 C ATOM 697 CZ PHE A 44 11.127 -1.454 -8.972 1.00 0.00 C ATOM 0 H PHE A 44 10.864 -5.724 -11.741 1.00 0.00 H new ATOM 0 HA PHE A 44 9.643 -7.350 -9.862 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.110 -6.190 -8.357 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.910 -6.070 -9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.568 -3.914 -11.249 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.573 -4.253 -7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.620 -1.423 -11.031 1.00 0.00 H new ATOM 0 HE2 PHE A 44 10.624 -1.762 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 44 11.152 -0.378 -8.877 1.00 0.00 H new ATOM 707 N GLY A 45 8.196 -4.468 -10.150 1.00 0.00 N ATOM 708 CA GLY A 45 7.052 -3.675 -9.733 1.00 0.00 C ATOM 709 C GLY A 45 5.947 -4.567 -9.162 1.00 0.00 C ATOM 710 O GLY A 45 5.585 -4.441 -7.994 1.00 0.00 O ATOM 0 H GLY A 45 8.678 -4.118 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.363 -2.948 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.667 -3.111 -10.582 1.00 0.00 H new ATOM 714 N THR A 46 5.442 -5.448 -10.013 1.00 0.00 N ATOM 715 CA THR A 46 4.386 -6.359 -9.609 1.00 0.00 C ATOM 716 C THR A 46 4.848 -7.222 -8.433 1.00 0.00 C ATOM 717 O THR A 46 4.072 -7.502 -7.520 1.00 0.00 O ATOM 718 CB THR A 46 3.969 -7.174 -10.834 1.00 0.00 C ATOM 719 OG1 THR A 46 5.194 -7.704 -11.332 1.00 0.00 O ATOM 720 CG2 THR A 46 3.453 -6.294 -11.975 1.00 0.00 C ATOM 0 H THR A 46 5.745 -5.550 -10.982 1.00 0.00 H new ATOM 0 HA THR A 46 3.512 -5.816 -9.250 1.00 0.00 H new ATOM 0 HB THR A 46 3.197 -7.888 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.016 -8.248 -12.127 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.171 -6.922 -12.820 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.584 -5.730 -11.635 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.236 -5.602 -12.284 1.00 0.00 H new ATOM 728 N ARG A 47 6.110 -7.621 -8.494 1.00 0.00 N ATOM 729 CA ARG A 47 6.686 -8.447 -7.446 1.00 0.00 C ATOM 730 C ARG A 47 6.726 -7.676 -6.125 1.00 0.00 C ATOM 731 O ARG A 47 6.142 -8.108 -5.132 1.00 0.00 O ATOM 732 CB ARG A 47 8.103 -8.892 -7.811 1.00 0.00 C ATOM 733 CG ARG A 47 8.078 -9.930 -8.936 1.00 0.00 C ATOM 734 CD ARG A 47 9.251 -9.724 -9.897 1.00 0.00 C ATOM 735 NE ARG A 47 9.701 -11.028 -10.432 1.00 0.00 N ATOM 736 CZ ARG A 47 10.817 -11.199 -11.154 1.00 0.00 C ATOM 737 NH1 ARG A 47 11.603 -10.149 -11.430 1.00 0.00 N ATOM 738 NH2 ARG A 47 11.148 -12.419 -11.598 1.00 0.00 N ATOM 0 H ARG A 47 6.750 -7.388 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 47 6.057 -9.330 -7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.691 -8.028 -8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.593 -9.313 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.123 -10.933 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.138 -9.857 -9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.951 -9.070 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.074 -9.230 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 47 9.126 -11.848 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.352 -9.221 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.453 -10.278 -11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.550 -13.218 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.997 -12.549 -12.148 1.00 0.00 H new ATOM 752 N GLU A 48 7.421 -6.548 -6.154 1.00 0.00 N ATOM 753 CA GLU A 48 7.544 -5.714 -4.971 1.00 0.00 C ATOM 754 C GLU A 48 6.160 -5.345 -4.435 1.00 0.00 C ATOM 755 O GLU A 48 5.948 -5.315 -3.224 1.00 0.00 O ATOM 756 CB GLU A 48 8.369 -4.460 -5.269 1.00 0.00 C ATOM 757 CG GLU A 48 9.588 -4.373 -4.348 1.00 0.00 C ATOM 758 CD GLU A 48 9.211 -4.725 -2.907 1.00 0.00 C ATOM 759 OE1 GLU A 48 8.567 -3.869 -2.263 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.576 -5.843 -2.483 1.00 0.00 O ATOM 0 H GLU A 48 7.905 -6.192 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 48 8.069 -6.281 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.695 -4.474 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.748 -3.573 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.364 -5.052 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.004 -3.366 -4.384 1.00 0.00 H new ATOM 768 N CYS A 49 5.254 -5.073 -5.363 1.00 0.00 N ATOM 769 CA CYS A 49 3.896 -4.707 -4.999 1.00 0.00 C ATOM 770 C CYS A 49 3.257 -5.894 -4.275 1.00 0.00 C ATOM 771 O CYS A 49 2.570 -5.716 -3.270 1.00 0.00 O ATOM 772 CB CYS A 49 3.079 -4.276 -6.218 1.00 0.00 C ATOM 773 SG CYS A 49 2.809 -2.471 -6.360 1.00 0.00 S ATOM 0 H CYS A 49 5.434 -5.099 -6.367 1.00 0.00 H new ATOM 0 HA CYS A 49 3.916 -3.844 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.584 -4.626 -7.119 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.109 -4.773 -6.182 1.00 0.00 H new ATOM 778 N ASP A 50 3.505 -7.079 -4.814 1.00 0.00 N ATOM 779 CA ASP A 50 2.962 -8.294 -4.231 1.00 0.00 C ATOM 780 C ASP A 50 3.704 -8.607 -2.931 1.00 0.00 C ATOM 781 O ASP A 50 3.344 -9.541 -2.216 1.00 0.00 O ATOM 782 CB ASP A 50 3.142 -9.485 -5.176 1.00 0.00 C ATOM 783 CG ASP A 50 1.841 -10.146 -5.636 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.315 -9.701 -6.679 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.402 -11.083 -4.935 1.00 0.00 O ATOM 0 H ASP A 50 4.074 -7.223 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 50 1.899 -8.135 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.694 -9.152 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.757 -10.235 -4.679 1.00 0.00 H new ATOM 791 N HIS A 51 4.726 -7.808 -2.664 1.00 0.00 N ATOM 792 CA HIS A 51 5.522 -7.988 -1.461 1.00 0.00 C ATOM 793 C HIS A 51 5.311 -6.799 -0.522 1.00 0.00 C ATOM 794 O HIS A 51 5.920 -6.728 0.544 1.00 0.00 O ATOM 795 CB HIS A 51 6.994 -8.213 -1.812 1.00 0.00 C ATOM 796 CG HIS A 51 7.564 -9.504 -1.273 1.00 0.00 C ATOM 797 ND1 HIS A 51 7.399 -9.906 0.040 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.300 -10.477 -1.885 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.010 -11.070 0.202 1.00 0.00 C ATOM 800 NE2 HIS A 51 8.569 -11.422 -0.993 1.00 0.00 N ATOM 0 H HIS A 51 5.022 -7.034 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 51 5.193 -8.884 -0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.104 -8.204 -2.896 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.581 -7.380 -1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.611 -10.478 -2.919 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.058 -11.640 1.118 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.105 -12.271 -1.171 1.00 0.00 H new ATOM 809 N TYR A 52 4.447 -5.892 -0.954 1.00 0.00 N ATOM 810 CA TYR A 52 4.148 -4.709 -0.166 1.00 0.00 C ATOM 811 C TYR A 52 2.809 -4.858 0.562 1.00 0.00 C ATOM 812 O TYR A 52 2.682 -4.466 1.720 1.00 0.00 O ATOM 813 CB TYR A 52 4.045 -3.553 -1.163 1.00 0.00 C ATOM 814 CG TYR A 52 3.919 -2.176 -0.509 1.00 0.00 C ATOM 815 CD1 TYR A 52 5.032 -1.562 0.028 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.691 -1.548 -0.455 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.912 -0.266 0.644 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.572 -0.251 0.161 1.00 0.00 C ATOM 819 CZ TYR A 52 3.689 0.325 0.680 1.00 0.00 C ATOM 820 OH TYR A 52 3.576 1.550 1.261 1.00 0.00 O ATOM 0 H TYR A 52 3.945 -5.953 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 52 4.919 -4.545 0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.927 -3.560 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.181 -3.718 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.993 -2.053 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.820 -2.029 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.775 0.225 1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.618 0.252 0.209 1.00 0.00 H new ATOM 0 HH TYR A 52 4.222 2.165 0.856 1.00 0.00 H new ATOM 830 N VAL A 53 1.846 -5.426 -0.148 1.00 0.00 N ATOM 831 CA VAL A 53 0.523 -5.632 0.415 1.00 0.00 C ATOM 832 C VAL A 53 0.643 -6.459 1.697 1.00 0.00 C ATOM 833 O VAL A 53 -0.283 -6.493 2.507 1.00 0.00 O ATOM 834 CB VAL A 53 -0.396 -6.274 -0.627 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.218 -5.613 -1.994 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.158 -7.783 -0.712 1.00 0.00 C ATOM 0 H VAL A 53 1.956 -5.750 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 53 0.070 -4.678 0.684 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.427 -6.115 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.882 -6.087 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.460 -4.553 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.815 -5.727 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.824 -8.215 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.877 -7.973 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.358 -8.238 0.258 1.00 0.00 H new ATOM 846 N ASN A 54 1.790 -7.106 1.841 1.00 0.00 N ATOM 847 CA ASN A 54 2.043 -7.930 3.011 1.00 0.00 C ATOM 848 C ASN A 54 3.460 -7.662 3.522 1.00 0.00 C ATOM 849 O ASN A 54 4.310 -8.551 3.498 1.00 0.00 O ATOM 850 CB ASN A 54 1.937 -9.418 2.669 1.00 0.00 C ATOM 851 CG ASN A 54 0.728 -10.054 3.359 1.00 0.00 C ATOM 852 OD1 ASN A 54 -0.086 -10.725 2.747 1.00 0.00 O ATOM 853 ND2 ASN A 54 0.658 -9.807 4.664 1.00 0.00 N ATOM 0 H ASN A 54 2.555 -7.076 1.167 1.00 0.00 H new ATOM 0 HA ASN A 54 1.299 -7.679 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.851 -9.542 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.848 -9.931 2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.112 -10.188 5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.374 -9.237 5.114 1.00 0.00 H new ATOM 860 N SER A 55 3.669 -6.434 3.973 1.00 0.00 N ATOM 861 CA SER A 55 4.968 -6.038 4.489 1.00 0.00 C ATOM 862 C SER A 55 4.897 -4.617 5.052 1.00 0.00 C ATOM 863 O SER A 55 5.482 -4.327 6.093 1.00 0.00 O ATOM 864 CB SER A 55 6.042 -6.126 3.403 1.00 0.00 C ATOM 865 OG SER A 55 6.455 -7.469 3.168 1.00 0.00 O ATOM 0 H SER A 55 2.961 -5.700 3.992 1.00 0.00 H new ATOM 0 HA SER A 55 5.242 -6.725 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.657 -5.698 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.904 -5.528 3.697 1.00 0.00 H new ATOM 0 HG SER A 55 5.887 -8.081 3.681 1.00 0.00 H new ATOM 871 N LYS A 56 4.173 -3.767 4.337 1.00 0.00 N ATOM 872 CA LYS A 56 4.018 -2.384 4.751 1.00 0.00 C ATOM 873 C LYS A 56 2.530 -2.023 4.764 1.00 0.00 C ATOM 874 O LYS A 56 2.172 -0.856 4.904 1.00 0.00 O ATOM 875 CB LYS A 56 4.865 -1.462 3.873 1.00 0.00 C ATOM 876 CG LYS A 56 6.356 -1.763 4.041 1.00 0.00 C ATOM 877 CD LYS A 56 7.198 -0.507 3.814 1.00 0.00 C ATOM 878 CE LYS A 56 8.683 -0.856 3.689 1.00 0.00 C ATOM 879 NZ LYS A 56 9.334 0.001 2.674 1.00 0.00 N ATOM 0 H LYS A 56 3.688 -4.011 3.474 1.00 0.00 H new ATOM 0 HA LYS A 56 4.389 -2.248 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.581 -1.587 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.668 -0.422 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.541 -2.153 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.656 -2.538 3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.863 0.001 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.052 0.187 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.175 -0.726 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.794 -1.905 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.367 -0.063 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.060 -0.318 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.034 0.988 2.808 1.00 0.00 H new ATOM 893 N VAL A 57 1.704 -3.049 4.615 1.00 0.00 N ATOM 894 CA VAL A 57 0.265 -2.856 4.608 1.00 0.00 C ATOM 895 C VAL A 57 -0.285 -3.096 6.015 1.00 0.00 C ATOM 896 O VAL A 57 -1.075 -2.300 6.521 1.00 0.00 O ATOM 897 CB VAL A 57 -0.379 -3.758 3.553 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.654 -4.409 4.093 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.663 -2.980 2.266 1.00 0.00 C ATOM 0 H VAL A 57 2.005 -4.017 4.498 1.00 0.00 H new ATOM 0 HA VAL A 57 0.019 -1.830 4.334 1.00 0.00 H new ATOM 0 HB VAL A 57 0.328 -4.553 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.092 -5.045 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.412 -5.012 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.368 -3.634 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.121 -3.644 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.342 -2.155 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.271 -2.586 1.865 1.00 0.00 H new ATOM 909 N ASP A 58 0.154 -4.197 6.607 1.00 0.00 N ATOM 910 CA ASP A 58 -0.284 -4.551 7.947 1.00 0.00 C ATOM 911 C ASP A 58 -0.113 -3.344 8.872 1.00 0.00 C ATOM 912 O ASP A 58 -1.004 -3.030 9.660 1.00 0.00 O ATOM 913 CB ASP A 58 0.551 -5.702 8.513 1.00 0.00 C ATOM 914 CG ASP A 58 -0.258 -6.887 9.044 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.260 -6.623 9.743 1.00 0.00 O ATOM 916 OD2 ASP A 58 0.144 -8.031 8.739 1.00 0.00 O ATOM 0 H ASP A 58 0.808 -4.855 6.184 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.329 -4.856 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.224 -6.061 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.174 -5.316 9.320 1.00 0.00 H new ATOM 922 N PRO A 59 1.067 -2.682 8.741 1.00 0.00 N ATOM 923 CA PRO A 59 1.366 -1.516 9.554 1.00 0.00 C ATOM 924 C PRO A 59 0.586 -0.293 9.067 1.00 0.00 C ATOM 925 O PRO A 59 -0.170 0.309 9.828 1.00 0.00 O ATOM 926 CB PRO A 59 2.872 -1.340 9.452 1.00 0.00 C ATOM 927 CG PRO A 59 3.300 -2.125 8.222 1.00 0.00 C ATOM 928 CD PRO A 59 2.146 -3.025 7.817 1.00 0.00 C ATOM 0 HA PRO A 59 1.063 -1.640 10.594 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.137 -0.287 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.371 -1.713 10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.559 -1.448 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.189 -2.718 8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.852 -2.850 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.417 -4.078 7.898 1.00 0.00 H new ATOM 936 N ILE A 60 0.798 0.038 7.802 1.00 0.00 N ATOM 937 CA ILE A 60 0.124 1.178 7.204 1.00 0.00 C ATOM 938 C ILE A 60 -1.353 1.158 7.601 1.00 0.00 C ATOM 939 O ILE A 60 -1.845 2.099 8.223 1.00 0.00 O ATOM 940 CB ILE A 60 0.355 1.205 5.692 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.753 1.728 5.359 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.741 2.004 4.984 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.996 1.723 3.849 1.00 0.00 C ATOM 0 H ILE A 60 1.427 -0.463 7.175 1.00 0.00 H new ATOM 0 HA ILE A 60 0.543 2.110 7.583 1.00 0.00 H new ATOM 0 HB ILE A 60 0.298 0.182 5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.868 2.741 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.503 1.111 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.553 2.007 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.710 1.546 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.742 3.029 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.997 2.100 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.905 0.705 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.259 2.360 3.360 1.00 0.00 H new ATOM 955 N ILE A 61 -2.019 0.076 7.225 1.00 0.00 N ATOM 956 CA ILE A 61 -3.430 -0.079 7.534 1.00 0.00 C ATOM 957 C ILE A 61 -3.634 0.047 9.046 1.00 0.00 C ATOM 958 O ILE A 61 -4.727 0.377 9.503 1.00 0.00 O ATOM 959 CB ILE A 61 -3.967 -1.386 6.948 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.632 -1.498 5.459 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.468 -1.530 7.211 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.742 -2.229 4.701 1.00 0.00 C ATOM 0 H ILE A 61 -1.607 -0.702 6.709 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.011 0.715 7.066 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.471 -2.215 7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.494 -0.502 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.689 -2.031 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.824 -2.468 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.651 -1.528 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.000 -0.697 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.479 -2.295 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.861 -3.233 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.678 -1.681 4.808 1.00 0.00 H new ATOM 974 N HIS A 62 -2.564 -0.223 9.779 1.00 0.00 N ATOM 975 CA HIS A 62 -2.612 -0.143 11.229 1.00 0.00 C ATOM 976 C HIS A 62 -2.769 1.316 11.658 1.00 0.00 C ATOM 977 O HIS A 62 -3.284 1.597 12.740 1.00 0.00 O ATOM 978 CB HIS A 62 -1.386 -0.815 11.850 1.00 0.00 C ATOM 979 CG HIS A 62 -0.428 0.146 12.512 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.179 -0.118 13.728 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.021 1.371 12.116 1.00 0.00 C ATOM 982 CE1 HIS A 62 0.955 0.909 14.039 1.00 0.00 C ATOM 983 NE2 HIS A 62 0.857 1.832 13.039 1.00 0.00 N ATOM 0 H HIS A 62 -1.659 -0.497 9.396 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.480 -0.689 11.598 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.719 -1.545 12.587 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.854 -1.365 11.074 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.257 1.881 11.205 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.560 1.000 14.929 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.345 2.727 13.006 1.00 0.00 H new ATOM 992 N GLU A 63 -2.316 2.208 10.789 1.00 0.00 N ATOM 993 CA GLU A 63 -2.401 3.632 11.065 1.00 0.00 C ATOM 994 C GLU A 63 -3.831 4.131 10.850 1.00 0.00 C ATOM 995 O GLU A 63 -4.403 4.781 11.723 1.00 0.00 O ATOM 996 CB GLU A 63 -1.411 4.417 10.202 1.00 0.00 C ATOM 997 CG GLU A 63 -0.160 4.789 11.002 1.00 0.00 C ATOM 998 CD GLU A 63 1.106 4.298 10.298 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.307 3.066 10.284 1.00 0.00 O ATOM 1000 OE2 GLU A 63 1.847 5.169 9.791 1.00 0.00 O ATOM 0 H GLU A 63 -1.889 1.972 9.893 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.133 3.796 12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.128 3.821 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.889 5.322 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.114 5.871 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.218 4.353 11.999 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.367 3.806 9.683 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.720 4.213 9.342 1.00 0.00 C ATOM 1010 C LEU A 64 -6.708 3.527 10.287 1.00 0.00 C ATOM 1011 O LEU A 64 -7.788 4.054 10.552 1.00 0.00 O ATOM 1012 CB LEU A 64 -6.002 3.950 7.861 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.992 4.535 6.873 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.927 3.696 5.594 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -5.299 6.005 6.578 1.00 0.00 C ATOM 0 H LEU A 64 -3.889 3.266 8.962 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.840 5.288 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.049 2.872 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.988 4.350 7.622 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.005 4.499 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.201 4.134 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.625 2.678 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.909 3.678 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.565 6.395 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.297 6.089 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.254 6.579 7.504 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.303 2.361 10.770 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.139 1.597 11.680 1.00 0.00 C ATOM 1029 C GLU A 65 -7.290 2.337 13.011 1.00 0.00 C ATOM 1030 O GLU A 65 -8.399 2.484 13.522 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.574 0.192 11.896 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.378 -0.848 11.113 1.00 0.00 C ATOM 1033 CD GLU A 65 -7.162 -2.251 11.684 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -5.988 -2.680 11.709 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -8.177 -2.864 12.083 1.00 0.00 O ATOM 0 H GLU A 65 -5.407 1.927 10.548 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.127 1.491 11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.531 0.163 11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.593 -0.052 12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.438 -0.596 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.081 -0.828 10.064 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.157 2.784 13.534 1.00 0.00 N ATOM 1044 CA GLY A 66 -6.149 3.505 14.795 1.00 0.00 C ATOM 1045 C GLY A 66 -6.874 4.847 14.665 1.00 0.00 C ATOM 1046 O GLY A 66 -7.818 5.121 15.404 1.00 0.00 O ATOM 0 H GLY A 66 -5.239 2.661 13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.629 2.902 15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.121 3.673 15.115 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.406 5.647 13.718 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.997 6.953 13.481 1.00 0.00 C ATOM 1052 C GLY A 67 -5.999 7.892 12.801 1.00 0.00 C ATOM 1053 O GLY A 67 -5.887 9.059 13.174 1.00 0.00 O ATOM 0 H GLY A 67 -5.624 5.416 13.106 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.884 6.847 12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.322 7.386 14.427 1.00 0.00 H new ATOM 1057 N THR A 68 -5.298 7.347 11.818 1.00 0.00 N ATOM 1058 CA THR A 68 -4.313 8.122 11.083 1.00 0.00 C ATOM 1059 C THR A 68 -4.734 8.271 9.620 1.00 0.00 C ATOM 1060 O THR A 68 -5.170 7.305 8.994 1.00 0.00 O ATOM 1061 CB THR A 68 -2.952 7.444 11.258 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.547 7.813 12.573 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.876 8.050 10.354 1.00 0.00 C ATOM 0 H THR A 68 -5.392 6.378 11.513 1.00 0.00 H new ATOM 0 HA THR A 68 -4.239 9.138 11.472 1.00 0.00 H new ATOM 0 HB THR A 68 -3.047 6.379 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.674 7.414 12.770 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.930 7.533 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.174 7.941 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.757 9.108 10.589 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.589 9.487 9.116 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.949 9.775 7.738 1.00 0.00 C ATOM 1073 C ALA A 69 -4.014 9.008 6.800 1.00 0.00 C ATOM 1074 O ALA A 69 -3.023 8.429 7.243 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.902 11.285 7.502 1.00 0.00 C ATOM 0 H ALA A 69 -4.227 10.285 9.638 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.967 9.445 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.172 11.500 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.606 11.780 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.895 11.653 7.698 1.00 0.00 H new ATOM 1081 N PRO A 70 -4.369 9.032 5.488 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.573 8.347 4.484 1.00 0.00 C ATOM 1083 C PRO A 70 -2.286 9.119 4.185 1.00 0.00 C ATOM 1084 O PRO A 70 -1.323 8.551 3.671 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.485 8.223 3.275 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.590 9.247 3.480 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.535 9.710 4.927 1.00 0.00 C ATOM 0 HA PRO A 70 -3.236 7.364 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.939 8.417 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.895 7.216 3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.458 10.092 2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.563 8.809 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.433 10.793 4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.445 9.442 5.464 1.00 0.00 H new ATOM 1095 N LYS A 71 -2.311 10.401 4.520 1.00 0.00 N ATOM 1096 CA LYS A 71 -1.158 11.255 4.293 1.00 0.00 C ATOM 1097 C LYS A 71 -0.315 11.317 5.569 1.00 0.00 C ATOM 1098 O LYS A 71 0.785 11.867 5.565 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.601 12.628 3.783 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.946 13.561 4.945 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.968 14.616 4.518 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.163 14.640 5.473 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.276 15.964 6.128 1.00 0.00 N ATOM 0 H LYS A 71 -3.111 10.868 4.947 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.524 10.838 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.807 13.070 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.469 12.515 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.344 12.980 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.041 14.051 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.495 15.598 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.312 14.406 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.079 14.419 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.048 13.862 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.092 15.964 6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.409 16.160 6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.407 16.699 5.404 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.864 10.744 6.630 1.00 0.00 N ATOM 1118 CA ASP A 72 -0.176 10.727 7.910 1.00 0.00 C ATOM 1119 C ASP A 72 0.528 9.381 8.087 1.00 0.00 C ATOM 1120 O ASP A 72 1.631 9.320 8.628 1.00 0.00 O ATOM 1121 CB ASP A 72 -1.163 10.899 9.067 1.00 0.00 C ATOM 1122 CG ASP A 72 -1.597 12.342 9.338 1.00 0.00 C ATOM 1123 OD1 ASP A 72 -1.666 13.107 8.352 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.849 12.646 10.524 1.00 0.00 O ATOM 0 H ASP A 72 -1.777 10.288 6.630 1.00 0.00 H new ATOM 0 HA ASP A 72 0.540 11.549 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.051 10.301 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.711 10.495 9.973 1.00 0.00 H new ATOM 1130 N VAL A 73 -0.137 8.334 7.621 1.00 0.00 N ATOM 1131 CA VAL A 73 0.412 6.992 7.721 1.00 0.00 C ATOM 1132 C VAL A 73 1.847 6.993 7.189 1.00 0.00 C ATOM 1133 O VAL A 73 2.769 6.566 7.882 1.00 0.00 O ATOM 1134 CB VAL A 73 -0.496 5.999 6.993 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.045 4.574 7.111 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.932 6.087 7.513 1.00 0.00 C ATOM 0 H VAL A 73 -1.052 8.388 7.173 1.00 0.00 H new ATOM 0 HA VAL A 73 0.451 6.671 8.762 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.506 6.266 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.619 3.888 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.041 4.525 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.100 4.291 8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.557 5.371 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.948 5.858 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.316 7.094 7.352 1.00 0.00 H new ATOM 1146 N CYS A 74 1.989 7.476 5.964 1.00 0.00 N ATOM 1147 CA CYS A 74 3.296 7.537 5.330 1.00 0.00 C ATOM 1148 C CYS A 74 4.015 8.791 5.834 1.00 0.00 C ATOM 1149 O CYS A 74 4.454 9.620 5.039 1.00 0.00 O ATOM 1150 CB CYS A 74 3.186 7.516 3.805 1.00 0.00 C ATOM 1151 SG CYS A 74 1.622 6.821 3.157 1.00 0.00 S ATOM 0 H CYS A 74 1.221 7.829 5.393 1.00 0.00 H new ATOM 0 HA CYS A 74 3.876 6.654 5.598 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.296 8.535 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.018 6.938 3.403 1.00 0.00 H new ATOM 1156 N THR A 75 4.114 8.889 7.151 1.00 0.00 N ATOM 1157 CA THR A 75 4.772 10.026 7.770 1.00 0.00 C ATOM 1158 C THR A 75 5.504 9.592 9.041 1.00 0.00 C ATOM 1159 O THR A 75 6.711 9.798 9.167 1.00 0.00 O ATOM 1160 CB THR A 75 3.717 11.107 8.015 1.00 0.00 C ATOM 1161 OG1 THR A 75 4.313 12.297 7.506 1.00 0.00 O ATOM 1162 CG2 THR A 75 3.515 11.401 9.503 1.00 0.00 C ATOM 0 H THR A 75 3.749 8.199 7.807 1.00 0.00 H new ATOM 0 HA THR A 75 5.539 10.442 7.117 1.00 0.00 H new ATOM 0 HB THR A 75 2.770 10.796 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.695 13.048 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.756 12.175 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.190 10.494 10.012 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.454 11.744 9.937 1.00 0.00 H new ATOM 1170 N LYS A 76 4.744 9.001 9.950 1.00 0.00 N ATOM 1171 CA LYS A 76 5.307 8.537 11.208 1.00 0.00 C ATOM 1172 C LYS A 76 5.944 7.162 10.999 1.00 0.00 C ATOM 1173 O LYS A 76 6.858 6.781 11.728 1.00 0.00 O ATOM 1174 CB LYS A 76 4.245 8.561 12.310 1.00 0.00 C ATOM 1175 CG LYS A 76 3.218 7.445 12.107 1.00 0.00 C ATOM 1176 CD LYS A 76 2.050 7.591 13.085 1.00 0.00 C ATOM 1177 CE LYS A 76 2.195 6.624 14.262 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.916 6.502 14.994 1.00 0.00 N ATOM 0 H LYS A 76 3.744 8.832 9.842 1.00 0.00 H new ATOM 0 HA LYS A 76 6.098 9.208 11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.723 8.447 13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.741 9.528 12.313 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.845 7.471 11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.696 6.476 12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.007 8.615 13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.111 7.400 12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.508 5.645 13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.974 6.978 14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.033 5.842 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.633 7.435 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.181 6.143 14.351 1.00 0.00 H new ATOM 1192 N LEU A 77 5.438 6.455 10.000 1.00 0.00 N ATOM 1193 CA LEU A 77 5.947 5.131 9.685 1.00 0.00 C ATOM 1194 C LEU A 77 7.272 5.264 8.933 1.00 0.00 C ATOM 1195 O LEU A 77 7.875 4.264 8.548 1.00 0.00 O ATOM 1196 CB LEU A 77 4.893 4.316 8.935 1.00 0.00 C ATOM 1197 CG LEU A 77 4.139 3.270 9.759 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.328 2.339 8.856 1.00 0.00 C ATOM 1199 CD2 LEU A 77 5.096 2.496 10.668 1.00 0.00 C ATOM 0 H LEU A 77 4.680 6.774 9.397 1.00 0.00 H new ATOM 0 HA LEU A 77 6.154 4.575 10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.165 5.006 8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.380 3.810 8.101 1.00 0.00 H new ATOM 0 HG LEU A 77 3.430 3.790 10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.802 1.606 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.604 2.923 8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.999 1.824 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.535 1.759 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.845 1.989 10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.590 3.188 11.350 1.00 0.00 H new ATOM 1211 N ASN A 78 7.688 6.509 8.749 1.00 0.00 N ATOM 1212 CA ASN A 78 8.931 6.786 8.049 1.00 0.00 C ATOM 1213 C ASN A 78 8.893 6.130 6.667 1.00 0.00 C ATOM 1214 O ASN A 78 9.928 5.965 6.025 1.00 0.00 O ATOM 1215 CB ASN A 78 10.130 6.215 8.810 1.00 0.00 C ATOM 1216 CG ASN A 78 11.217 7.277 8.997 1.00 0.00 C ATOM 1217 OD1 ASN A 78 11.329 8.226 8.240 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.008 7.061 10.045 1.00 0.00 N ATOM 0 H ASN A 78 7.187 7.336 9.072 1.00 0.00 H new ATOM 0 HA ASN A 78 9.037 7.868 7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.806 5.846 9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.538 5.363 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.765 7.712 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.857 6.245 10.638 1.00 0.00 H new ATOM 1225 N GLU A 79 7.686 5.772 6.251 1.00 0.00 N ATOM 1226 CA GLU A 79 7.498 5.138 4.958 1.00 0.00 C ATOM 1227 C GLU A 79 7.018 6.162 3.928 1.00 0.00 C ATOM 1228 O GLU A 79 5.967 5.986 3.316 1.00 0.00 O ATOM 1229 CB GLU A 79 6.522 3.964 5.060 1.00 0.00 C ATOM 1230 CG GLU A 79 5.122 4.448 5.443 1.00 0.00 C ATOM 1231 CD GLU A 79 4.178 4.406 4.240 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.653 3.991 3.160 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.004 4.788 4.426 1.00 0.00 O ATOM 0 H GLU A 79 6.829 5.909 6.787 1.00 0.00 H new ATOM 0 HA GLU A 79 8.458 4.742 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.481 3.437 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.881 3.252 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.724 3.824 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.178 5.465 5.830 1.00 0.00 H new ATOM 1241 N CYS A 80 7.812 7.212 3.771 1.00 0.00 N ATOM 1242 CA CYS A 80 7.481 8.265 2.826 1.00 0.00 C ATOM 1243 C CYS A 80 8.375 9.472 3.119 1.00 0.00 C ATOM 1244 O CYS A 80 8.782 9.685 4.260 1.00 0.00 O ATOM 1245 CB CYS A 80 5.996 8.629 2.881 1.00 0.00 C ATOM 1246 SG CYS A 80 5.034 8.158 1.398 1.00 0.00 S ATOM 0 H CYS A 80 8.683 7.356 4.282 1.00 0.00 H new ATOM 0 HA CYS A 80 7.665 7.915 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.551 8.149 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.906 9.705 3.029 1.00 0.00 H new ATOM 1251 N PRO A 81 8.663 10.250 2.042 1.00 0.00 N ATOM 1252 CA PRO A 81 9.500 11.429 2.171 1.00 0.00 C ATOM 1253 C PRO A 81 8.736 12.575 2.838 1.00 0.00 C ATOM 1254 O PRO A 81 8.285 12.447 3.975 1.00 0.00 O ATOM 1255 CB PRO A 81 9.944 11.755 0.755 1.00 0.00 C ATOM 1256 CG PRO A 81 8.970 11.034 -0.163 1.00 0.00 C ATOM 1257 CD PRO A 81 8.199 10.028 0.675 1.00 0.00 C ATOM 0 HA PRO A 81 10.363 11.262 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.925 12.830 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.967 11.421 0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 81 8.288 11.745 -0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 81 9.505 10.530 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.124 10.185 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.398 9.007 0.350 1.00 0.00 H new TER 1265 PRO A 81