USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ -173:sc= -0.985! (180deg=-1.01!) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= -9.96! (180deg=-14.8!) USER MOD Single : A 21 ASN :FLIP amide:sc= -2.87! C(o=-3.8!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.0603 (180deg=-0.396) USER MOD Single : A 27 TYR OH : rot 150:sc= -0.451 USER MOD Single : A 33 ASN : amide:sc= -0.901 K(o=-0.9,f=-6.3!) USER MOD Single : A 34 TYR OH : rot 74:sc= 0.17 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00218 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 46 ASN : amide:sc= -2.79! X(o=-2.8!,f=-2.7) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0.0404 (180deg=0.0332) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0544 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -15.245 -22.997 -12.595 1.00 0.00 N ATOM 2 CA ILE A -2 -13.849 -23.262 -12.155 1.00 0.00 C ATOM 3 C ILE A -2 -13.630 -22.773 -10.724 1.00 0.00 C ATOM 4 O ILE A -2 -13.671 -23.559 -9.778 1.00 0.00 O ATOM 5 CB ILE A -2 -12.784 -22.607 -13.085 1.00 0.00 C ATOM 6 CG1 ILE A -2 -13.419 -21.956 -14.324 1.00 0.00 C ATOM 7 CG2 ILE A -2 -11.755 -23.644 -13.511 1.00 0.00 C ATOM 8 CD1 ILE A -2 -12.832 -20.599 -14.659 1.00 0.00 C ATOM 0 H1 ILE A -2 -15.407 -23.441 -13.521 1.00 0.00 H new ATOM 0 H2 ILE A -2 -15.909 -23.394 -11.900 1.00 0.00 H new ATOM 0 H3 ILE A -2 -15.396 -21.971 -12.672 1.00 0.00 H new ATOM 0 HA ILE A -2 -13.718 -24.343 -12.207 1.00 0.00 H new ATOM 0 HB ILE A -2 -12.294 -21.817 -12.515 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -13.292 -22.620 -15.179 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -14.491 -21.849 -14.160 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -11.015 -23.177 -14.161 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -11.259 -24.049 -12.629 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -12.253 -24.451 -14.049 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -13.326 -20.197 -15.544 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -12.983 -19.920 -13.820 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -11.765 -20.703 -14.855 1.00 0.00 H new ATOM 22 N SER A -1 -13.395 -21.472 -10.571 1.00 0.00 N ATOM 23 CA SER A -1 -13.168 -20.889 -9.254 1.00 0.00 C ATOM 24 C SER A -1 -13.523 -19.405 -9.234 1.00 0.00 C ATOM 25 O SER A -1 -13.039 -18.658 -8.385 1.00 0.00 O ATOM 26 CB SER A -1 -11.707 -21.074 -8.841 1.00 0.00 C ATOM 27 OG SER A -1 -10.829 -20.508 -9.798 1.00 0.00 O ATOM 0 H SER A -1 -13.357 -20.804 -11.341 1.00 0.00 H new ATOM 0 HA SER A -1 -13.816 -21.405 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A -1 -11.539 -20.609 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A -1 -11.490 -22.136 -8.728 1.00 0.00 H new ATOM 0 HG SER A -1 -9.902 -20.639 -9.509 1.00 0.00 H new ATOM 33 N SER A 2 -14.366 -18.982 -10.174 1.00 0.00 N ATOM 34 CA SER A 2 -14.782 -17.585 -10.263 1.00 0.00 C ATOM 35 C SER A 2 -13.597 -16.640 -10.067 1.00 0.00 C ATOM 36 O SER A 2 -13.475 -15.991 -9.026 1.00 0.00 O ATOM 37 CB SER A 2 -15.867 -17.289 -9.226 1.00 0.00 C ATOM 38 OG SER A 2 -17.151 -17.631 -9.717 1.00 0.00 O ATOM 0 H SER A 2 -14.775 -19.588 -10.885 1.00 0.00 H new ATOM 0 HA SER A 2 -15.186 -17.418 -11.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.663 -17.848 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.845 -16.231 -8.964 1.00 0.00 H new ATOM 0 HG SER A 2 -17.826 -17.434 -9.034 1.00 0.00 H new ATOM 44 N PRO A 3 -12.708 -16.543 -11.070 1.00 0.00 N ATOM 45 CA PRO A 3 -11.544 -15.671 -10.997 1.00 0.00 C ATOM 46 C PRO A 3 -11.902 -14.214 -11.250 1.00 0.00 C ATOM 47 O PRO A 3 -12.819 -13.915 -12.016 1.00 0.00 O ATOM 48 CB PRO A 3 -10.615 -16.195 -12.088 1.00 0.00 C ATOM 49 CG PRO A 3 -11.471 -16.970 -13.032 1.00 0.00 C ATOM 50 CD PRO A 3 -12.785 -17.265 -12.348 1.00 0.00 C ATOM 0 HA PRO A 3 -11.091 -15.687 -10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.116 -15.373 -12.601 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.834 -16.826 -11.664 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.638 -16.401 -13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.976 -17.898 -13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.629 -16.923 -12.947 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.919 -18.335 -12.191 1.00 0.00 H new ATOM 58 N LYS A 4 -11.179 -13.312 -10.599 1.00 0.00 N ATOM 59 CA LYS A 4 -11.425 -11.885 -10.753 1.00 0.00 C ATOM 60 C LYS A 4 -10.136 -11.087 -10.589 1.00 0.00 C ATOM 61 O LYS A 4 -9.045 -11.652 -10.526 1.00 0.00 O ATOM 62 CB LYS A 4 -12.464 -11.416 -9.732 1.00 0.00 C ATOM 63 CG LYS A 4 -13.895 -11.521 -10.231 1.00 0.00 C ATOM 64 CD LYS A 4 -14.389 -10.197 -10.796 1.00 0.00 C ATOM 65 CE LYS A 4 -13.826 -9.936 -12.185 1.00 0.00 C ATOM 66 NZ LYS A 4 -14.860 -9.397 -13.113 1.00 0.00 N ATOM 0 H LYS A 4 -10.418 -13.543 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.808 -11.713 -11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.361 -12.008 -8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.256 -10.380 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.957 -12.291 -11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.544 -11.833 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.478 -10.203 -10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.101 -9.385 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.999 -9.230 -12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.421 -10.862 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.436 -9.233 -14.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.638 -10.081 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.229 -8.500 -12.738 1.00 0.00 H new ATOM 80 N GLN A 5 -10.272 -9.768 -10.522 1.00 0.00 N ATOM 81 CA GLN A 5 -9.125 -8.888 -10.364 1.00 0.00 C ATOM 82 C GLN A 5 -8.860 -8.609 -8.886 1.00 0.00 C ATOM 83 O GLN A 5 -8.030 -9.271 -8.262 1.00 0.00 O ATOM 84 CB GLN A 5 -9.333 -7.567 -11.122 1.00 0.00 C ATOM 85 CG GLN A 5 -10.790 -7.193 -11.360 1.00 0.00 C ATOM 86 CD GLN A 5 -11.029 -5.694 -11.304 1.00 0.00 C ATOM 87 OE1 GLN A 5 -10.506 -4.939 -12.125 1.00 0.00 O ATOM 88 NE2 GLN A 5 -11.824 -5.256 -10.333 1.00 0.00 N ATOM 0 H GLN A 5 -11.169 -9.285 -10.575 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.257 -9.393 -10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.852 -6.764 -10.564 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.827 -7.633 -12.085 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.103 -7.570 -12.334 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.413 -7.684 -10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.236 -5.917 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.022 -4.259 -10.247 1.00 0.00 H new ATOM 97 N GLU A 6 -9.578 -7.634 -8.334 1.00 0.00 N ATOM 98 CA GLU A 6 -9.434 -7.261 -6.932 1.00 0.00 C ATOM 99 C GLU A 6 -10.182 -5.966 -6.650 1.00 0.00 C ATOM 100 O GLU A 6 -9.811 -4.905 -7.152 1.00 0.00 O ATOM 101 CB GLU A 6 -7.959 -7.093 -6.557 1.00 0.00 C ATOM 102 CG GLU A 6 -7.203 -6.129 -7.456 1.00 0.00 C ATOM 103 CD GLU A 6 -5.705 -6.346 -7.411 1.00 0.00 C ATOM 104 OE1 GLU A 6 -5.118 -6.214 -6.317 1.00 0.00 O ATOM 105 OE2 GLU A 6 -5.118 -6.651 -8.470 1.00 0.00 O ATOM 0 H GLU A 6 -10.271 -7.085 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.858 -8.063 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.893 -6.742 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.471 -8.067 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.553 -6.244 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.428 -5.106 -7.156 1.00 0.00 H new ATOM 112 N GLU A 7 -11.243 -6.056 -5.856 1.00 0.00 N ATOM 113 CA GLU A 7 -12.032 -4.893 -5.516 1.00 0.00 C ATOM 114 C GLU A 7 -11.167 -3.841 -4.833 1.00 0.00 C ATOM 115 O GLU A 7 -9.941 -3.905 -4.877 1.00 0.00 O ATOM 116 CB GLU A 7 -13.229 -5.255 -4.620 1.00 0.00 C ATOM 117 CG GLU A 7 -13.588 -6.737 -4.547 1.00 0.00 C ATOM 118 CD GLU A 7 -13.179 -7.371 -3.231 1.00 0.00 C ATOM 119 OE1 GLU A 7 -11.998 -7.241 -2.848 1.00 0.00 O ATOM 120 OE2 GLU A 7 -14.046 -7.993 -2.580 1.00 0.00 O ATOM 0 H GLU A 7 -11.572 -6.927 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.424 -4.484 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.021 -4.902 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.102 -4.707 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.663 -6.854 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.103 -7.266 -5.367 1.00 0.00 H new ATOM 127 N TYR A 8 -11.818 -2.872 -4.207 1.00 0.00 N ATOM 128 CA TYR A 8 -11.115 -1.794 -3.516 1.00 0.00 C ATOM 129 C TYR A 8 -10.099 -2.340 -2.512 1.00 0.00 C ATOM 130 O TYR A 8 -8.929 -1.961 -2.546 1.00 0.00 O ATOM 131 CB TYR A 8 -12.109 -0.876 -2.796 1.00 0.00 C ATOM 132 CG TYR A 8 -13.432 -0.717 -3.515 1.00 0.00 C ATOM 133 CD1 TYR A 8 -13.535 0.065 -4.658 1.00 0.00 C ATOM 134 CD2 TYR A 8 -14.574 -1.358 -3.054 1.00 0.00 C ATOM 135 CE1 TYR A 8 -14.738 0.202 -5.321 1.00 0.00 C ATOM 136 CE2 TYR A 8 -15.782 -1.224 -3.709 1.00 0.00 C ATOM 137 CZ TYR A 8 -15.859 -0.443 -4.844 1.00 0.00 C ATOM 138 OH TYR A 8 -17.059 -0.312 -5.503 1.00 0.00 O ATOM 0 H TYR A 8 -12.835 -2.807 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.577 -1.221 -4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.295 -1.271 -1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.655 0.107 -2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.660 0.574 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.516 -1.972 -2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.801 0.812 -6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.661 -1.727 -3.335 1.00 0.00 H new ATOM 0 HH TYR A 8 -17.747 -0.831 -5.036 1.00 0.00 H new ATOM 148 N GLU A 9 -10.564 -3.220 -1.614 1.00 0.00 N ATOM 149 CA GLU A 9 -9.717 -3.826 -0.570 1.00 0.00 C ATOM 150 C GLU A 9 -8.615 -2.874 -0.100 1.00 0.00 C ATOM 151 O GLU A 9 -8.774 -2.177 0.900 1.00 0.00 O ATOM 152 CB GLU A 9 -9.093 -5.154 -1.036 1.00 0.00 C ATOM 153 CG GLU A 9 -8.894 -5.274 -2.540 1.00 0.00 C ATOM 154 CD GLU A 9 -7.472 -5.645 -2.913 1.00 0.00 C ATOM 155 OE1 GLU A 9 -6.851 -6.438 -2.176 1.00 0.00 O ATOM 156 OE2 GLU A 9 -6.980 -5.141 -3.946 1.00 0.00 O ATOM 0 H GLU A 9 -11.535 -3.533 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.377 -4.030 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.128 -5.277 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.728 -5.974 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.577 -6.027 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.155 -4.328 -3.014 1.00 0.00 H new ATOM 163 N VAL A 10 -7.496 -2.863 -0.824 1.00 0.00 N ATOM 164 CA VAL A 10 -6.357 -2.004 -0.490 1.00 0.00 C ATOM 165 C VAL A 10 -5.587 -1.630 -1.755 1.00 0.00 C ATOM 166 O VAL A 10 -5.988 -1.976 -2.866 1.00 0.00 O ATOM 167 CB VAL A 10 -5.384 -2.708 0.480 1.00 0.00 C ATOM 168 CG1 VAL A 10 -5.908 -2.666 1.909 1.00 0.00 C ATOM 169 CG2 VAL A 10 -5.136 -4.142 0.031 1.00 0.00 C ATOM 0 H VAL A 10 -7.352 -3.443 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.757 -1.111 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.435 -2.172 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.202 -3.169 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.024 -1.629 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.873 -3.170 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.448 -4.626 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.080 -4.687 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.702 -4.140 -0.969 1.00 0.00 H new ATOM 179 N GLU A 11 -4.481 -0.923 -1.571 1.00 0.00 N ATOM 180 CA GLU A 11 -3.634 -0.501 -2.679 1.00 0.00 C ATOM 181 C GLU A 11 -2.175 -0.631 -2.267 1.00 0.00 C ATOM 182 O GLU A 11 -1.660 0.218 -1.536 1.00 0.00 O ATOM 183 CB GLU A 11 -3.952 0.943 -3.087 1.00 0.00 C ATOM 184 CG GLU A 11 -4.473 1.817 -1.950 1.00 0.00 C ATOM 185 CD GLU A 11 -3.557 2.984 -1.641 1.00 0.00 C ATOM 186 OE1 GLU A 11 -2.325 2.787 -1.629 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.075 4.097 -1.406 1.00 0.00 O ATOM 0 H GLU A 11 -4.146 -0.627 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.826 -1.139 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.051 1.399 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.693 0.927 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.461 2.196 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.592 1.207 -1.054 1.00 0.00 H new ATOM 194 N ARG A 12 -1.525 -1.722 -2.702 1.00 0.00 N ATOM 195 CA ARG A 12 -0.131 -1.996 -2.330 1.00 0.00 C ATOM 196 C ARG A 12 0.615 -0.736 -1.895 1.00 0.00 C ATOM 197 O ARG A 12 0.647 0.255 -2.624 1.00 0.00 O ATOM 198 CB ARG A 12 0.685 -2.651 -3.455 1.00 0.00 C ATOM 199 CG ARG A 12 2.115 -2.969 -3.015 1.00 0.00 C ATOM 200 CD ARG A 12 2.173 -3.569 -1.608 1.00 0.00 C ATOM 201 NE ARG A 12 3.008 -4.764 -1.576 1.00 0.00 N ATOM 202 CZ ARG A 12 2.907 -5.714 -0.653 1.00 0.00 C ATOM 203 NH1 ARG A 12 2.090 -5.566 0.382 1.00 0.00 N ATOM 204 NH2 ARG A 12 3.631 -6.810 -0.756 1.00 0.00 N ATOM 0 H ARG A 12 -1.943 -2.426 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.215 -2.693 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.191 -3.569 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.711 -1.986 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.564 -3.666 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.712 -2.058 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.566 -2.829 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.166 -3.818 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 12 3.712 -4.877 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.532 -4.717 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.020 -6.301 1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.268 -6.928 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.554 -7.540 -0.048 1.00 0.00 H new ATOM 218 N ILE A 13 1.243 -0.805 -0.726 1.00 0.00 N ATOM 219 CA ILE A 13 2.040 0.303 -0.195 1.00 0.00 C ATOM 220 C ILE A 13 1.379 1.687 -0.301 1.00 0.00 C ATOM 221 O ILE A 13 1.081 2.172 -1.390 1.00 0.00 O ATOM 222 CB ILE A 13 3.366 0.413 -0.956 1.00 0.00 C ATOM 223 CG1 ILE A 13 4.056 -0.940 -1.111 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.296 1.411 -0.279 1.00 0.00 C ATOM 225 CD1 ILE A 13 4.386 -1.617 0.194 1.00 0.00 C ATOM 0 H ILE A 13 1.216 -1.625 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 13 2.164 0.058 0.860 1.00 0.00 H new ATOM 0 HB ILE A 13 3.130 0.774 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.414 -1.598 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.976 -0.803 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.231 1.473 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.822 2.392 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.502 1.083 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.874 -2.571 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.055 -0.982 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.469 -1.788 0.757 1.00 0.00 H new ATOM 237 N VAL A 14 1.227 2.345 0.838 1.00 0.00 N ATOM 238 CA VAL A 14 0.698 3.708 0.877 1.00 0.00 C ATOM 239 C VAL A 14 1.854 4.681 1.112 1.00 0.00 C ATOM 240 O VAL A 14 1.720 5.887 0.899 1.00 0.00 O ATOM 241 CB VAL A 14 -0.370 3.915 1.980 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.019 3.108 3.200 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.505 5.385 2.366 1.00 0.00 C ATOM 0 H VAL A 14 1.462 1.959 1.753 1.00 0.00 H new ATOM 0 HA VAL A 14 0.210 3.893 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.325 3.579 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.777 3.262 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.022 2.051 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.952 3.426 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.263 5.489 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.450 5.752 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.799 5.965 1.491 1.00 0.00 H new ATOM 253 N ASP A 15 3.002 4.142 1.533 1.00 0.00 N ATOM 254 CA ASP A 15 4.182 4.961 1.786 1.00 0.00 C ATOM 255 C ASP A 15 5.405 4.072 1.912 1.00 0.00 C ATOM 256 O ASP A 15 5.285 2.852 1.938 1.00 0.00 O ATOM 257 CB ASP A 15 4.013 5.800 3.052 1.00 0.00 C ATOM 258 CG ASP A 15 4.649 7.169 2.930 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.458 7.820 1.881 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.339 7.592 3.882 1.00 0.00 O ATOM 0 H ASP A 15 3.135 3.145 1.704 1.00 0.00 H new ATOM 0 HA ASP A 15 4.311 5.643 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.951 5.914 3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.456 5.271 3.896 1.00 0.00 H new ATOM 265 N GLU A 16 6.583 4.670 1.942 1.00 0.00 N ATOM 266 CA GLU A 16 7.800 3.880 2.018 1.00 0.00 C ATOM 267 C GLU A 16 8.956 4.657 2.651 1.00 0.00 C ATOM 268 O GLU A 16 9.074 5.871 2.492 1.00 0.00 O ATOM 269 CB GLU A 16 8.170 3.383 0.611 1.00 0.00 C ATOM 270 CG GLU A 16 7.529 4.191 -0.511 1.00 0.00 C ATOM 271 CD GLU A 16 7.736 5.685 -0.353 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.896 6.138 -0.440 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.735 6.403 -0.138 1.00 0.00 O ATOM 0 H GLU A 16 6.723 5.680 1.916 1.00 0.00 H new ATOM 0 HA GLU A 16 7.614 3.025 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.254 3.415 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.870 2.340 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.945 3.870 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.460 3.978 -0.541 1.00 0.00 H new ATOM 280 N LYS A 17 9.832 3.919 3.327 1.00 0.00 N ATOM 281 CA LYS A 17 11.018 4.476 3.955 1.00 0.00 C ATOM 282 C LYS A 17 12.263 3.795 3.408 1.00 0.00 C ATOM 283 O LYS A 17 12.407 2.556 3.502 1.00 0.00 O ATOM 284 CB LYS A 17 11.002 4.285 5.468 1.00 0.00 C ATOM 285 CG LYS A 17 10.393 5.447 6.245 1.00 0.00 C ATOM 286 CD LYS A 17 9.012 5.125 6.816 1.00 0.00 C ATOM 287 CE LYS A 17 8.797 3.630 7.023 1.00 0.00 C ATOM 288 NZ LYS A 17 8.406 2.948 5.751 1.00 0.00 N ATOM 0 H LYS A 17 9.735 2.911 3.453 1.00 0.00 H new ATOM 0 HA LYS A 17 11.027 5.543 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.446 3.377 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.024 4.130 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.062 5.722 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.316 6.314 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.887 5.641 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.246 5.509 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.711 3.181 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.022 3.474 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.684 2.227 5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.021 3.648 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.241 2.494 5.330 1.00 0.00 H new ATOM 302 N LEU A 18 13.161 4.626 2.889 1.00 0.00 N ATOM 303 CA LEU A 18 14.429 4.166 2.352 1.00 0.00 C ATOM 304 C LEU A 18 15.571 4.663 3.225 1.00 0.00 C ATOM 305 O LEU A 18 15.398 5.577 4.032 1.00 0.00 O ATOM 306 CB LEU A 18 14.628 4.648 0.912 1.00 0.00 C ATOM 307 CG LEU A 18 13.384 4.604 0.020 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.736 5.006 -1.403 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.757 3.218 0.043 1.00 0.00 C ATOM 0 H LEU A 18 13.027 5.635 2.831 1.00 0.00 H new ATOM 0 HA LEU A 18 14.421 3.076 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.997 5.673 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.406 4.041 0.449 1.00 0.00 H new ATOM 0 HG LEU A 18 12.656 5.316 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.841 4.969 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.138 6.019 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.482 4.318 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.875 3.207 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.478 2.486 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.468 2.966 1.063 1.00 0.00 H new ATOM 321 N ASP A 19 16.732 4.050 3.065 1.00 0.00 N ATOM 322 CA ASP A 19 17.905 4.421 3.845 1.00 0.00 C ATOM 323 C ASP A 19 18.851 5.293 3.016 1.00 0.00 C ATOM 324 O ASP A 19 18.535 5.662 1.885 1.00 0.00 O ATOM 325 CB ASP A 19 18.613 3.152 4.329 1.00 0.00 C ATOM 326 CG ASP A 19 18.981 2.228 3.185 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.311 2.737 2.094 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.939 0.996 3.381 1.00 0.00 O ATOM 0 H ASP A 19 16.889 3.292 2.401 1.00 0.00 H new ATOM 0 HA ASP A 19 17.592 5.005 4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.515 3.428 4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.966 2.622 5.028 1.00 0.00 H new ATOM 333 N ARG A 20 20.019 5.609 3.576 1.00 0.00 N ATOM 334 CA ARG A 20 21.008 6.433 2.866 1.00 0.00 C ATOM 335 C ARG A 20 21.625 5.677 1.687 1.00 0.00 C ATOM 336 O ARG A 20 22.419 6.234 0.929 1.00 0.00 O ATOM 337 CB ARG A 20 22.127 6.946 3.795 1.00 0.00 C ATOM 338 CG ARG A 20 22.280 6.203 5.119 1.00 0.00 C ATOM 339 CD ARG A 20 21.740 7.018 6.290 1.00 0.00 C ATOM 340 NE ARG A 20 20.482 7.695 5.968 1.00 0.00 N ATOM 341 CZ ARG A 20 19.439 7.770 6.795 1.00 0.00 C ATOM 342 NH1 ARG A 20 19.493 7.230 8.008 1.00 0.00 N ATOM 343 NH2 ARG A 20 18.338 8.399 6.407 1.00 0.00 N ATOM 0 H ARG A 20 20.305 5.312 4.509 1.00 0.00 H new ATOM 0 HA ARG A 20 20.462 7.298 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.074 6.892 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.942 7.999 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.753 5.251 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.332 5.975 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.587 6.361 7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.482 7.759 6.586 1.00 0.00 H new ATOM 0 HE ARG A 20 20.398 8.137 5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.339 6.751 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.688 7.294 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.292 8.822 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.537 8.460 7.035 1.00 0.00 H new ATOM 357 N ASN A 21 21.261 4.408 1.541 1.00 0.00 N ATOM 358 CA ASN A 21 21.767 3.583 0.469 1.00 0.00 C ATOM 359 C ASN A 21 20.756 3.501 -0.668 1.00 0.00 C ATOM 360 O ASN A 21 21.070 3.032 -1.761 1.00 0.00 O ATOM 361 CB ASN A 21 22.077 2.184 0.988 1.00 0.00 C ATOM 362 CG ASN A 21 22.160 2.105 2.500 1.00 0.00 C ATOM 363 OD1 ASN A 21 21.526 1.089 3.067 1.00 0.00 O flip ATOM 364 ND2 ASN A 21 22.788 2.945 3.148 1.00 0.00 N flip ATOM 0 H ASN A 21 20.609 3.931 2.164 1.00 0.00 H new ATOM 0 HA ASN A 21 22.683 4.036 0.089 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.307 1.496 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.022 1.848 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.261 3.711 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.835 2.874 4.164 1.00 0.00 H new ATOM 371 N GLY A 22 19.537 3.953 -0.399 1.00 0.00 N ATOM 372 CA GLY A 22 18.495 3.915 -1.397 1.00 0.00 C ATOM 373 C GLY A 22 17.711 2.623 -1.330 1.00 0.00 C ATOM 374 O GLY A 22 16.823 2.374 -2.147 1.00 0.00 O ATOM 0 H GLY A 22 19.255 4.346 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.821 4.759 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.935 4.024 -2.388 1.00 0.00 H new ATOM 378 N ALA A 23 18.043 1.809 -0.338 1.00 0.00 N ATOM 379 CA ALA A 23 17.389 0.545 -0.118 1.00 0.00 C ATOM 380 C ALA A 23 16.159 0.755 0.733 1.00 0.00 C ATOM 381 O ALA A 23 16.138 1.609 1.617 1.00 0.00 O ATOM 382 CB ALA A 23 18.350 -0.419 0.553 1.00 0.00 C ATOM 0 H ALA A 23 18.780 2.016 0.336 1.00 0.00 H new ATOM 0 HA ALA A 23 17.083 0.118 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.851 -1.374 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.220 -0.569 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.670 -0.007 1.510 1.00 0.00 H new ATOM 388 N VAL A 24 15.132 -0.016 0.460 1.00 0.00 N ATOM 389 CA VAL A 24 13.888 0.099 1.191 1.00 0.00 C ATOM 390 C VAL A 24 13.964 -0.659 2.504 1.00 0.00 C ATOM 391 O VAL A 24 14.169 -1.871 2.515 1.00 0.00 O ATOM 392 CB VAL A 24 12.729 -0.442 0.352 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.398 -0.066 0.980 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.851 0.076 -1.076 1.00 0.00 C ATOM 0 H VAL A 24 15.132 -0.733 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 24 13.716 1.154 1.404 1.00 0.00 H new ATOM 0 HB VAL A 24 12.774 -1.531 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.584 -0.459 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.337 -0.488 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.317 1.019 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.025 -0.309 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.819 1.166 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.796 -0.257 -1.504 1.00 0.00 H new ATOM 404 N LYS A 25 13.802 0.054 3.611 1.00 0.00 N ATOM 405 CA LYS A 25 13.863 -0.573 4.920 1.00 0.00 C ATOM 406 C LYS A 25 12.477 -0.742 5.521 1.00 0.00 C ATOM 407 O LYS A 25 12.297 -1.556 6.429 1.00 0.00 O ATOM 408 CB LYS A 25 14.745 0.241 5.869 1.00 0.00 C ATOM 409 CG LYS A 25 16.224 0.184 5.522 1.00 0.00 C ATOM 410 CD LYS A 25 16.948 -0.895 6.315 1.00 0.00 C ATOM 411 CE LYS A 25 16.968 -2.227 5.575 1.00 0.00 C ATOM 412 NZ LYS A 25 17.785 -2.165 4.330 1.00 0.00 N ATOM 0 H LYS A 25 13.629 1.059 3.627 1.00 0.00 H new ATOM 0 HA LYS A 25 14.301 -1.562 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.417 1.280 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.604 -0.125 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.340 -0.009 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.682 1.152 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.971 -0.575 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.461 -1.024 7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.367 -3.000 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.948 -2.517 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.097 -3.123 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.212 -1.768 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.616 -1.561 4.490 1.00 0.00 H new ATOM 426 N LEU A 26 11.486 0.006 5.022 1.00 0.00 N ATOM 427 CA LEU A 26 10.135 -0.127 5.576 1.00 0.00 C ATOM 428 C LEU A 26 9.051 0.409 4.640 1.00 0.00 C ATOM 429 O LEU A 26 9.339 1.135 3.703 1.00 0.00 O ATOM 430 CB LEU A 26 10.070 0.602 6.917 1.00 0.00 C ATOM 431 CG LEU A 26 10.058 -0.303 8.145 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.336 0.505 9.404 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.727 -1.031 8.253 1.00 0.00 C ATOM 0 H LEU A 26 11.586 0.684 4.266 1.00 0.00 H new ATOM 0 HA LEU A 26 9.938 -1.191 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.924 1.275 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.174 1.222 6.933 1.00 0.00 H new ATOM 0 HG LEU A 26 10.847 -1.047 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.324 -0.156 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.314 0.979 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.570 1.271 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.734 -1.673 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.920 -0.303 8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.572 -1.639 7.362 1.00 0.00 H new ATOM 445 N TYR A 27 7.796 0.033 4.902 1.00 0.00 N ATOM 446 CA TYR A 27 6.661 0.473 4.080 1.00 0.00 C ATOM 447 C TYR A 27 5.409 0.720 4.919 1.00 0.00 C ATOM 448 O TYR A 27 5.218 0.111 5.971 1.00 0.00 O ATOM 449 CB TYR A 27 6.269 -0.587 3.049 1.00 0.00 C ATOM 450 CG TYR A 27 7.261 -0.831 1.946 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.358 0.030 0.868 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.065 -1.951 1.967 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.235 -0.221 -0.167 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.949 -2.212 0.951 1.00 0.00 C ATOM 455 CZ TYR A 27 9.034 -1.347 -0.121 1.00 0.00 C ATOM 456 OH TYR A 27 9.914 -1.609 -1.149 1.00 0.00 O ATOM 0 H TYR A 27 7.538 -0.576 5.678 1.00 0.00 H new ATOM 0 HA TYR A 27 6.996 1.392 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.098 -1.528 3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.320 -0.295 2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.737 0.913 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.997 -2.636 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.296 0.457 -1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.576 -3.091 0.990 1.00 0.00 H new ATOM 0 HH TYR A 27 10.689 -2.097 -0.800 1.00 0.00 H new ATOM 466 N ARG A 28 4.537 1.575 4.394 1.00 0.00 N ATOM 467 CA ARG A 28 3.257 1.890 5.014 1.00 0.00 C ATOM 468 C ARG A 28 2.139 1.342 4.143 1.00 0.00 C ATOM 469 O ARG A 28 2.158 1.561 2.918 1.00 0.00 O ATOM 470 CB ARG A 28 3.077 3.402 5.152 1.00 0.00 C ATOM 471 CG ARG A 28 1.824 3.813 5.917 1.00 0.00 C ATOM 472 CD ARG A 28 1.810 5.313 6.171 1.00 0.00 C ATOM 473 NE ARG A 28 0.597 5.757 6.851 1.00 0.00 N ATOM 474 CZ ARG A 28 0.025 6.944 6.651 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.528 7.796 5.764 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.056 7.280 7.342 1.00 0.00 N ATOM 0 H ARG A 28 4.701 2.072 3.519 1.00 0.00 H new ATOM 0 HA ARG A 28 3.229 1.440 6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.950 3.816 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.044 3.845 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.937 3.528 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.781 3.279 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.678 5.584 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.903 5.839 5.221 1.00 0.00 H new ATOM 0 HE ARG A 28 0.161 5.121 7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.359 7.544 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.083 8.702 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.447 6.631 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.496 8.188 7.191 1.00 0.00 H new ATOM 490 N ILE A 29 1.179 0.646 4.781 1.00 0.00 N ATOM 491 CA ILE A 29 0.025 0.047 4.087 1.00 0.00 C ATOM 492 C ILE A 29 -1.291 0.601 4.631 1.00 0.00 C ATOM 493 O ILE A 29 -1.654 0.344 5.779 1.00 0.00 O ATOM 494 CB ILE A 29 -0.007 -1.490 4.235 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.346 -2.090 3.814 1.00 0.00 C ATOM 496 CG2 ILE A 29 -1.175 -2.087 3.438 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.475 -2.391 2.335 1.00 0.00 C ATOM 0 H ILE A 29 1.182 0.484 5.788 1.00 0.00 H new ATOM 0 HA ILE A 29 0.138 0.305 3.034 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.171 -1.745 5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.139 -1.399 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.509 -3.011 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.180 -3.171 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.115 -1.678 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.061 -1.837 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.461 -2.810 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.709 -3.108 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.348 -1.471 1.764 1.00 0.00 H new ATOM 509 N ARG A 30 -2.022 1.318 3.786 1.00 0.00 N ATOM 510 CA ARG A 30 -3.306 1.891 4.168 1.00 0.00 C ATOM 511 C ARG A 30 -4.448 0.978 3.757 1.00 0.00 C ATOM 512 O ARG A 30 -4.484 0.498 2.626 1.00 0.00 O ATOM 513 CB ARG A 30 -3.486 3.264 3.504 1.00 0.00 C ATOM 514 CG ARG A 30 -4.106 4.321 4.411 1.00 0.00 C ATOM 515 CD ARG A 30 -3.052 5.002 5.271 1.00 0.00 C ATOM 516 NE ARG A 30 -3.206 6.457 5.297 1.00 0.00 N ATOM 517 CZ ARG A 30 -3.942 7.110 6.193 1.00 0.00 C ATOM 518 NH1 ARG A 30 -4.660 6.445 7.086 1.00 0.00 N ATOM 519 NH2 ARG A 30 -3.977 8.436 6.185 1.00 0.00 N ATOM 0 H ARG A 30 -1.744 1.517 2.825 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.320 2.004 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.514 3.620 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.112 3.148 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.620 5.067 3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.857 3.858 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.112 4.615 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.061 4.751 4.892 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.720 7.003 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.651 5.425 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.221 6.953 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.439 8.956 5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.542 8.935 6.872 1.00 0.00 H new ATOM 533 N TRP A 31 -5.394 0.766 4.667 1.00 0.00 N ATOM 534 CA TRP A 31 -6.560 -0.064 4.371 1.00 0.00 C ATOM 535 C TRP A 31 -7.825 0.789 4.500 1.00 0.00 C ATOM 536 O TRP A 31 -8.313 1.326 3.507 1.00 0.00 O ATOM 537 CB TRP A 31 -6.641 -1.303 5.281 1.00 0.00 C ATOM 538 CG TRP A 31 -5.311 -1.904 5.613 1.00 0.00 C ATOM 539 CD1 TRP A 31 -4.232 -1.247 6.102 1.00 0.00 C ATOM 540 CD2 TRP A 31 -4.921 -3.275 5.475 1.00 0.00 C ATOM 541 NE1 TRP A 31 -3.184 -2.120 6.292 1.00 0.00 N ATOM 542 CE2 TRP A 31 -3.583 -3.376 5.912 1.00 0.00 C ATOM 543 CE3 TRP A 31 -5.573 -4.425 5.027 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -2.890 -4.588 5.908 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -4.887 -5.624 5.021 1.00 0.00 C ATOM 546 CH2 TRP A 31 -3.557 -5.699 5.461 1.00 0.00 C ATOM 0 H TRP A 31 -5.378 1.154 5.610 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.466 -0.436 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.145 -1.028 6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.258 -2.058 4.794 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.198 -0.188 6.313 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.263 -1.873 6.655 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -6.598 -4.378 4.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.866 -4.648 6.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -5.382 -6.518 4.672 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.048 -6.652 5.447 1.00 0.00 H new ATOM 557 N LEU A 32 -8.319 0.939 5.731 1.00 0.00 N ATOM 558 CA LEU A 32 -9.506 1.754 6.028 1.00 0.00 C ATOM 559 C LEU A 32 -10.775 1.278 5.302 1.00 0.00 C ATOM 560 O LEU A 32 -11.826 1.134 5.928 1.00 0.00 O ATOM 561 CB LEU A 32 -9.227 3.246 5.751 1.00 0.00 C ATOM 562 CG LEU A 32 -9.563 3.766 4.347 1.00 0.00 C ATOM 563 CD1 LEU A 32 -10.967 4.353 4.317 1.00 0.00 C ATOM 564 CD2 LEU A 32 -8.541 4.808 3.915 1.00 0.00 C ATOM 0 H LEU A 32 -7.908 0.499 6.554 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.709 1.626 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.789 3.836 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.170 3.434 5.938 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.526 2.930 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.188 4.717 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.689 3.584 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.031 5.179 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.790 5.170 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.553 5.642 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.548 4.359 3.901 1.00 0.00 H new ATOM 576 N ASN A 33 -10.691 1.035 3.997 1.00 0.00 N ATOM 577 CA ASN A 33 -11.849 0.584 3.229 1.00 0.00 C ATOM 578 C ASN A 33 -12.516 -0.631 3.875 1.00 0.00 C ATOM 579 O ASN A 33 -13.713 -0.851 3.703 1.00 0.00 O ATOM 580 CB ASN A 33 -11.438 0.253 1.792 1.00 0.00 C ATOM 581 CG ASN A 33 -10.895 1.451 1.053 1.00 0.00 C ATOM 582 OD1 ASN A 33 -10.080 2.211 1.575 1.00 0.00 O ATOM 583 ND2 ASN A 33 -11.357 1.623 -0.173 1.00 0.00 N ATOM 0 H ASN A 33 -9.837 1.142 3.450 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.574 1.398 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.683 -0.533 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.300 -0.142 1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.038 2.415 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.032 0.964 -0.561 1.00 0.00 H new ATOM 590 N TYR A 34 -11.737 -1.419 4.615 1.00 0.00 N ATOM 591 CA TYR A 34 -12.268 -2.610 5.278 1.00 0.00 C ATOM 592 C TYR A 34 -13.450 -2.260 6.163 1.00 0.00 C ATOM 593 O TYR A 34 -14.469 -2.952 6.164 1.00 0.00 O ATOM 594 CB TYR A 34 -11.202 -3.276 6.145 1.00 0.00 C ATOM 595 CG TYR A 34 -10.230 -4.131 5.366 1.00 0.00 C ATOM 596 CD1 TYR A 34 -9.587 -3.643 4.239 1.00 0.00 C ATOM 597 CD2 TYR A 34 -9.966 -5.437 5.758 1.00 0.00 C ATOM 598 CE1 TYR A 34 -8.709 -4.432 3.522 1.00 0.00 C ATOM 599 CE2 TYR A 34 -9.087 -6.230 5.046 1.00 0.00 C ATOM 600 CZ TYR A 34 -8.462 -5.724 3.931 1.00 0.00 C ATOM 601 OH TYR A 34 -7.584 -6.514 3.223 1.00 0.00 O ATOM 0 H TYR A 34 -10.742 -1.256 4.770 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.586 -3.295 4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.646 -2.505 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.692 -3.893 6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.776 -2.630 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.455 -5.839 6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.218 -4.038 2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.892 -7.243 5.364 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.665 -6.222 3.400 1.00 0.00 H new ATOM 611 N SER A 35 -13.295 -1.195 6.934 1.00 0.00 N ATOM 612 CA SER A 35 -14.338 -0.769 7.848 1.00 0.00 C ATOM 613 C SER A 35 -14.009 0.590 8.460 1.00 0.00 C ATOM 614 O SER A 35 -14.576 1.611 8.073 1.00 0.00 O ATOM 615 CB SER A 35 -14.495 -1.817 8.945 1.00 0.00 C ATOM 616 OG SER A 35 -15.201 -1.296 10.059 1.00 0.00 O ATOM 0 H SER A 35 -12.458 -0.612 6.944 1.00 0.00 H new ATOM 0 HA SER A 35 -15.273 -0.667 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.024 -2.684 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.512 -2.162 9.264 1.00 0.00 H new ATOM 0 HG SER A 35 -15.288 -1.990 10.745 1.00 0.00 H new ATOM 622 N SER A 36 -13.085 0.594 9.417 1.00 0.00 N ATOM 623 CA SER A 36 -12.681 1.827 10.084 1.00 0.00 C ATOM 624 C SER A 36 -11.157 1.928 10.184 1.00 0.00 C ATOM 625 O SER A 36 -10.438 1.340 9.378 1.00 0.00 O ATOM 626 CB SER A 36 -13.314 1.903 11.475 1.00 0.00 C ATOM 627 OG SER A 36 -13.839 3.197 11.727 1.00 0.00 O ATOM 0 H SER A 36 -12.603 -0.242 9.747 1.00 0.00 H new ATOM 0 HA SER A 36 -13.033 2.669 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.109 1.162 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.569 1.656 12.231 1.00 0.00 H new ATOM 0 HG SER A 36 -14.239 3.219 12.621 1.00 0.00 H new ATOM 633 N ARG A 37 -10.669 2.684 11.173 1.00 0.00 N ATOM 634 CA ARG A 37 -9.230 2.869 11.370 1.00 0.00 C ATOM 635 C ARG A 37 -8.460 1.557 11.227 1.00 0.00 C ATOM 636 O ARG A 37 -8.669 0.609 11.988 1.00 0.00 O ATOM 637 CB ARG A 37 -8.942 3.479 12.747 1.00 0.00 C ATOM 638 CG ARG A 37 -9.871 4.621 13.140 1.00 0.00 C ATOM 639 CD ARG A 37 -10.501 4.374 14.502 1.00 0.00 C ATOM 640 NE ARG A 37 -11.153 5.567 15.039 1.00 0.00 N ATOM 641 CZ ARG A 37 -12.455 5.823 14.915 1.00 0.00 C ATOM 642 NH1 ARG A 37 -13.244 5.001 14.229 1.00 0.00 N ATOM 643 NH2 ARG A 37 -12.972 6.910 15.473 1.00 0.00 N ATOM 0 H ARG A 37 -11.251 3.178 11.850 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.891 3.552 10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.013 2.694 13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.914 3.842 12.762 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.313 5.557 13.159 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.653 4.732 12.389 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.232 3.569 14.421 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.733 4.038 15.199 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.577 6.244 15.539 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.854 4.166 13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.239 5.206 14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.373 7.549 15.996 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.968 7.107 15.379 1.00 0.00 H new ATOM 657 N SER A 38 -7.554 1.524 10.255 1.00 0.00 N ATOM 658 CA SER A 38 -6.728 0.350 10.001 1.00 0.00 C ATOM 659 C SER A 38 -5.539 0.724 9.120 1.00 0.00 C ATOM 660 O SER A 38 -5.693 0.930 7.917 1.00 0.00 O ATOM 661 CB SER A 38 -7.548 -0.759 9.336 1.00 0.00 C ATOM 662 OG SER A 38 -6.875 -2.002 9.424 1.00 0.00 O ATOM 0 H SER A 38 -7.373 2.305 9.625 1.00 0.00 H new ATOM 0 HA SER A 38 -6.359 -0.022 10.957 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.524 -0.834 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.725 -0.509 8.290 1.00 0.00 H new ATOM 0 HG SER A 38 -7.416 -2.698 8.995 1.00 0.00 H new ATOM 668 N ASP A 39 -4.358 0.828 9.733 1.00 0.00 N ATOM 669 CA ASP A 39 -3.137 1.195 9.012 1.00 0.00 C ATOM 670 C ASP A 39 -1.895 0.876 9.842 1.00 0.00 C ATOM 671 O ASP A 39 -1.799 1.275 11.003 1.00 0.00 O ATOM 672 CB ASP A 39 -3.135 2.696 8.679 1.00 0.00 C ATOM 673 CG ASP A 39 -4.385 3.146 7.949 1.00 0.00 C ATOM 674 OD1 ASP A 39 -4.555 2.763 6.776 1.00 0.00 O ATOM 675 OD2 ASP A 39 -5.194 3.881 8.553 1.00 0.00 O ATOM 0 H ASP A 39 -4.221 0.663 10.730 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.115 0.613 8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.036 3.267 9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.262 2.925 8.067 1.00 0.00 H new ATOM 680 N THR A 40 -0.936 0.178 9.238 1.00 0.00 N ATOM 681 CA THR A 40 0.303 -0.164 9.931 1.00 0.00 C ATOM 682 C THR A 40 1.487 -0.220 8.973 1.00 0.00 C ATOM 683 O THR A 40 1.326 -0.163 7.753 1.00 0.00 O ATOM 684 CB THR A 40 0.181 -1.498 10.670 1.00 0.00 C ATOM 685 OG1 THR A 40 1.462 -2.045 10.939 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.608 -2.538 9.912 1.00 0.00 C ATOM 0 H THR A 40 -0.992 -0.160 8.277 1.00 0.00 H new ATOM 0 HA THR A 40 0.481 0.628 10.659 1.00 0.00 H new ATOM 0 HB THR A 40 -0.352 -1.263 11.591 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.361 -2.897 11.413 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.653 -3.457 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.619 -2.170 9.735 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.122 -2.738 8.957 1.00 0.00 H new ATOM 694 N TRP A 41 2.680 -0.314 9.552 1.00 0.00 N ATOM 695 CA TRP A 41 3.916 -0.368 8.785 1.00 0.00 C ATOM 696 C TRP A 41 4.506 -1.778 8.809 1.00 0.00 C ATOM 697 O TRP A 41 4.610 -2.412 9.862 1.00 0.00 O ATOM 698 CB TRP A 41 4.938 0.637 9.340 1.00 0.00 C ATOM 699 CG TRP A 41 4.462 2.059 9.299 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.528 2.639 10.108 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.895 3.079 8.394 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.353 3.958 9.756 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.183 4.251 8.706 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.816 3.109 7.349 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.369 5.442 8.006 1.00 0.00 C ATOM 706 CZ3 TRP A 41 6.002 4.291 6.655 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.278 5.442 6.986 1.00 0.00 C ATOM 0 H TRP A 41 2.815 -0.355 10.562 1.00 0.00 H new ATOM 0 HA TRP A 41 3.686 -0.104 7.753 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.175 0.371 10.370 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.863 0.555 8.769 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.003 2.137 10.907 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.710 4.611 10.204 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.376 2.224 7.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.814 6.333 8.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.716 4.326 5.846 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.441 6.349 6.423 1.00 0.00 H new ATOM 718 N GLU A 42 4.905 -2.243 7.636 1.00 0.00 N ATOM 719 CA GLU A 42 5.504 -3.554 7.465 1.00 0.00 C ATOM 720 C GLU A 42 6.761 -3.440 6.606 1.00 0.00 C ATOM 721 O GLU A 42 6.901 -2.490 5.853 1.00 0.00 O ATOM 722 CB GLU A 42 4.513 -4.504 6.794 1.00 0.00 C ATOM 723 CG GLU A 42 3.072 -4.006 6.774 1.00 0.00 C ATOM 724 CD GLU A 42 2.069 -5.138 6.743 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.206 -6.027 5.878 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.147 -5.133 7.584 1.00 0.00 O ATOM 0 H GLU A 42 4.821 -1.714 6.768 1.00 0.00 H new ATOM 0 HA GLU A 42 5.768 -3.949 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.837 -4.681 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.545 -5.464 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.892 -3.389 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.923 -3.369 5.902 1.00 0.00 H new ATOM 733 N PRO A 43 7.691 -4.401 6.693 1.00 0.00 N ATOM 734 CA PRO A 43 8.914 -4.374 5.905 1.00 0.00 C ATOM 735 C PRO A 43 8.758 -4.996 4.517 1.00 0.00 C ATOM 736 O PRO A 43 7.785 -5.694 4.239 1.00 0.00 O ATOM 737 CB PRO A 43 9.896 -5.182 6.741 1.00 0.00 C ATOM 738 CG PRO A 43 9.070 -6.026 7.670 1.00 0.00 C ATOM 739 CD PRO A 43 7.629 -5.583 7.552 1.00 0.00 C ATOM 0 HA PRO A 43 9.232 -3.350 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.525 -5.806 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.561 -4.525 7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.166 -7.081 7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.419 -5.915 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.006 -6.363 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.203 -5.346 8.527 1.00 0.00 H new ATOM 747 N PRO A 44 9.754 -4.768 3.637 1.00 0.00 N ATOM 748 CA PRO A 44 9.751 -5.304 2.268 1.00 0.00 C ATOM 749 C PRO A 44 9.873 -6.814 2.220 1.00 0.00 C ATOM 750 O PRO A 44 9.117 -7.500 1.533 1.00 0.00 O ATOM 751 CB PRO A 44 10.971 -4.684 1.612 1.00 0.00 C ATOM 752 CG PRO A 44 11.766 -4.047 2.679 1.00 0.00 C ATOM 753 CD PRO A 44 10.952 -3.988 3.939 1.00 0.00 C ATOM 0 HA PRO A 44 8.810 -5.067 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.558 -5.444 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.673 -3.949 0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.683 -4.611 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.062 -3.042 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.497 -4.409 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.701 -2.960 4.202 1.00 0.00 H new ATOM 761 N GLU A 45 10.853 -7.313 2.934 1.00 0.00 N ATOM 762 CA GLU A 45 11.110 -8.755 2.989 1.00 0.00 C ATOM 763 C GLU A 45 9.845 -9.517 3.410 1.00 0.00 C ATOM 764 O GLU A 45 9.698 -10.704 3.119 1.00 0.00 O ATOM 765 CB GLU A 45 12.270 -9.050 3.939 1.00 0.00 C ATOM 766 CG GLU A 45 13.631 -8.762 3.322 1.00 0.00 C ATOM 767 CD GLU A 45 14.688 -9.772 3.723 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.353 -10.968 3.847 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.855 -9.366 3.910 1.00 0.00 O ATOM 0 H GLU A 45 11.495 -6.750 3.492 1.00 0.00 H new ATOM 0 HA GLU A 45 11.389 -9.097 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.153 -8.452 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.228 -10.096 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.537 -8.754 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.956 -7.766 3.621 1.00 0.00 H new ATOM 776 N ASN A 46 8.922 -8.805 4.059 1.00 0.00 N ATOM 777 CA ASN A 46 7.645 -9.368 4.487 1.00 0.00 C ATOM 778 C ASN A 46 6.711 -9.466 3.285 1.00 0.00 C ATOM 779 O ASN A 46 5.794 -10.287 3.248 1.00 0.00 O ATOM 780 CB ASN A 46 7.003 -8.458 5.540 1.00 0.00 C ATOM 781 CG ASN A 46 7.259 -8.896 6.965 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.166 -9.679 7.243 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.442 -8.379 7.877 1.00 0.00 N ATOM 0 H ASN A 46 9.041 -7.821 4.302 1.00 0.00 H new ATOM 0 HA ASN A 46 7.814 -10.357 4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.380 -7.444 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.927 -8.423 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.552 -8.628 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.705 -7.733 7.594 1.00 0.00 H new ATOM 790 N LEU A 47 6.954 -8.587 2.317 1.00 0.00 N ATOM 791 CA LEU A 47 6.155 -8.523 1.104 1.00 0.00 C ATOM 792 C LEU A 47 6.715 -9.430 0.012 1.00 0.00 C ATOM 793 O LEU A 47 6.543 -9.158 -1.177 1.00 0.00 O ATOM 794 CB LEU A 47 6.126 -7.108 0.547 1.00 0.00 C ATOM 795 CG LEU A 47 6.591 -5.976 1.460 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.833 -4.751 0.613 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.575 -5.664 2.546 1.00 0.00 C ATOM 0 H LEU A 47 7.709 -7.902 2.354 1.00 0.00 H new ATOM 0 HA LEU A 47 5.152 -8.849 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.743 -7.089 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.104 -6.890 0.237 1.00 0.00 H new ATOM 0 HG LEU A 47 7.508 -6.287 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.166 -3.930 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.599 -4.969 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.908 -4.468 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.948 -4.853 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.633 -5.365 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.414 -6.550 3.160 1.00 0.00 H new ATOM 809 N SER A 48 7.402 -10.481 0.407 1.00 0.00 N ATOM 810 CA SER A 48 8.004 -11.402 -0.555 1.00 0.00 C ATOM 811 C SER A 48 6.959 -12.113 -1.429 1.00 0.00 C ATOM 812 O SER A 48 7.068 -12.102 -2.655 1.00 0.00 O ATOM 813 CB SER A 48 8.867 -12.434 0.172 1.00 0.00 C ATOM 814 OG SER A 48 8.085 -13.234 1.042 1.00 0.00 O ATOM 0 H SER A 48 7.562 -10.725 1.384 1.00 0.00 H new ATOM 0 HA SER A 48 8.626 -10.804 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.370 -13.069 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.644 -11.925 0.742 1.00 0.00 H new ATOM 0 HG SER A 48 8.661 -13.886 1.493 1.00 0.00 H new ATOM 820 N GLY A 49 5.970 -12.753 -0.802 1.00 0.00 N ATOM 821 CA GLY A 49 4.951 -13.485 -1.553 1.00 0.00 C ATOM 822 C GLY A 49 3.873 -12.606 -2.181 1.00 0.00 C ATOM 823 O GLY A 49 2.861 -13.114 -2.665 1.00 0.00 O ATOM 0 H GLY A 49 5.854 -12.779 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.440 -14.057 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.473 -14.204 -0.887 1.00 0.00 H new ATOM 827 N CYS A 50 4.074 -11.295 -2.159 1.00 0.00 N ATOM 828 CA CYS A 50 3.106 -10.347 -2.710 1.00 0.00 C ATOM 829 C CYS A 50 3.583 -9.750 -4.025 1.00 0.00 C ATOM 830 O CYS A 50 3.162 -8.664 -4.426 1.00 0.00 O ATOM 831 CB CYS A 50 2.924 -9.248 -1.709 1.00 0.00 C ATOM 832 SG CYS A 50 1.668 -9.592 -0.454 1.00 0.00 S ATOM 0 H CYS A 50 4.906 -10.858 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 50 2.171 -10.871 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.876 -9.062 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.655 -8.332 -2.236 1.00 0.00 H new ATOM 0 HG CYS A 50 1.586 -8.586 0.365 1.00 0.00 H new ATOM 838 N SER A 51 4.464 -10.479 -4.668 1.00 0.00 N ATOM 839 CA SER A 51 5.048 -10.076 -5.954 1.00 0.00 C ATOM 840 C SER A 51 4.121 -9.125 -6.734 1.00 0.00 C ATOM 841 O SER A 51 4.513 -8.012 -7.081 1.00 0.00 O ATOM 842 CB SER A 51 5.362 -11.311 -6.812 1.00 0.00 C ATOM 843 OG SER A 51 6.463 -11.069 -7.673 1.00 0.00 O ATOM 0 H SER A 51 4.807 -11.376 -4.323 1.00 0.00 H new ATOM 0 HA SER A 51 5.972 -9.541 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.582 -12.160 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.486 -11.579 -7.403 1.00 0.00 H new ATOM 0 HG SER A 51 6.643 -11.871 -8.207 1.00 0.00 H new ATOM 849 N ALA A 52 2.894 -9.576 -7.006 1.00 0.00 N ATOM 850 CA ALA A 52 1.912 -8.771 -7.745 1.00 0.00 C ATOM 851 C ALA A 52 1.544 -7.481 -6.999 1.00 0.00 C ATOM 852 O ALA A 52 1.621 -6.370 -7.553 1.00 0.00 O ATOM 853 CB ALA A 52 0.664 -9.598 -8.016 1.00 0.00 C ATOM 0 H ALA A 52 2.554 -10.496 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 52 2.369 -8.478 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.060 -8.995 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.929 -10.474 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.227 -9.918 -7.070 1.00 0.00 H new ATOM 859 N VAL A 53 1.174 -7.623 -5.730 1.00 0.00 N ATOM 860 CA VAL A 53 0.832 -6.463 -4.913 1.00 0.00 C ATOM 861 C VAL A 53 1.958 -5.429 -5.049 1.00 0.00 C ATOM 862 O VAL A 53 1.745 -4.241 -5.399 1.00 0.00 O ATOM 863 CB VAL A 53 0.632 -6.865 -3.424 1.00 0.00 C ATOM 864 CG1 VAL A 53 0.469 -5.649 -2.552 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.583 -7.750 -3.249 1.00 0.00 C ATOM 0 H VAL A 53 1.104 -8.520 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.110 -6.037 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 53 1.525 -7.414 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.331 -5.960 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.359 -5.025 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.402 -5.081 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.693 -8.012 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.473 -7.217 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.459 -8.658 -3.838 1.00 0.00 H new ATOM 875 N LEU A 54 3.176 -5.919 -4.813 1.00 0.00 N ATOM 876 CA LEU A 54 4.373 -5.109 -4.943 1.00 0.00 C ATOM 877 C LEU A 54 4.314 -4.375 -6.265 1.00 0.00 C ATOM 878 O LEU A 54 4.578 -3.177 -6.347 1.00 0.00 O ATOM 879 CB LEU A 54 5.618 -6.008 -4.938 1.00 0.00 C ATOM 880 CG LEU A 54 6.388 -6.126 -3.619 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.798 -6.638 -3.887 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.439 -4.788 -2.887 1.00 0.00 C ATOM 0 H LEU A 54 3.353 -6.882 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 54 4.430 -4.407 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.313 -7.009 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.305 -5.638 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 54 5.864 -6.836 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.341 -6.720 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.745 -7.618 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.318 -5.943 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.992 -4.904 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.937 -4.049 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.425 -4.454 -2.668 1.00 0.00 H new ATOM 894 N ALA A 55 3.950 -5.130 -7.296 1.00 0.00 N ATOM 895 CA ALA A 55 3.835 -4.603 -8.639 1.00 0.00 C ATOM 896 C ALA A 55 2.895 -3.410 -8.695 1.00 0.00 C ATOM 897 O ALA A 55 3.153 -2.448 -9.432 1.00 0.00 O ATOM 898 CB ALA A 55 3.361 -5.693 -9.595 1.00 0.00 C ATOM 0 H ALA A 55 3.728 -6.122 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 55 4.823 -4.261 -8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.279 -5.283 -10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.078 -6.514 -9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.387 -6.062 -9.273 1.00 0.00 H new ATOM 904 N GLU A 56 1.801 -3.438 -7.925 1.00 0.00 N ATOM 905 CA GLU A 56 0.893 -2.315 -7.977 1.00 0.00 C ATOM 906 C GLU A 56 1.545 -1.089 -7.335 1.00 0.00 C ATOM 907 O GLU A 56 1.499 -0.013 -7.923 1.00 0.00 O ATOM 908 CB GLU A 56 -0.495 -2.676 -7.426 1.00 0.00 C ATOM 909 CG GLU A 56 -0.825 -2.120 -6.072 1.00 0.00 C ATOM 910 CD GLU A 56 -2.315 -2.138 -5.790 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.825 -3.190 -5.349 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.973 -1.101 -6.015 1.00 0.00 O ATOM 0 H GLU A 56 1.541 -4.193 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 56 0.700 -2.046 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.248 -2.329 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.576 -3.762 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.306 -2.698 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.457 -1.097 -6.002 1.00 0.00 H new ATOM 919 N TRP A 57 2.199 -1.226 -6.165 1.00 0.00 N ATOM 920 CA TRP A 57 2.869 -0.033 -5.583 1.00 0.00 C ATOM 921 C TRP A 57 3.825 0.587 -6.603 1.00 0.00 C ATOM 922 O TRP A 57 3.693 1.756 -6.962 1.00 0.00 O ATOM 923 CB TRP A 57 3.674 -0.346 -4.311 1.00 0.00 C ATOM 924 CG TRP A 57 4.438 0.844 -3.743 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.779 0.903 -3.457 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.902 2.131 -3.365 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.101 2.140 -2.959 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.972 2.906 -2.888 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.627 2.704 -3.393 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.808 4.214 -2.440 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.465 4.004 -2.945 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.554 4.745 -2.473 1.00 0.00 C ATOM 0 H TRP A 57 2.280 -2.089 -5.628 1.00 0.00 H new ATOM 0 HA TRP A 57 2.068 0.656 -5.318 1.00 0.00 H new ATOM 0 HB2 TRP A 57 2.993 -0.723 -3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.381 -1.146 -4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.479 0.093 -3.603 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.036 2.441 -2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.781 2.141 -3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.648 4.789 -2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.483 4.453 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.397 5.757 -2.129 1.00 0.00 H new ATOM 943 N LYS A 58 4.799 -0.209 -7.048 1.00 0.00 N ATOM 944 CA LYS A 58 5.797 0.272 -8.011 1.00 0.00 C ATOM 945 C LYS A 58 5.152 1.058 -9.148 1.00 0.00 C ATOM 946 O LYS A 58 5.553 2.186 -9.435 1.00 0.00 O ATOM 947 CB LYS A 58 6.654 -0.850 -8.566 1.00 0.00 C ATOM 948 CG LYS A 58 5.842 -1.970 -9.108 1.00 0.00 C ATOM 949 CD LYS A 58 6.676 -2.912 -9.962 1.00 0.00 C ATOM 950 CE LYS A 58 6.009 -3.199 -11.299 1.00 0.00 C ATOM 951 NZ LYS A 58 6.843 -4.089 -12.157 1.00 0.00 N ATOM 0 H LYS A 58 4.920 -1.181 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 58 6.452 0.944 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.297 -0.457 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.308 -1.227 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.395 -2.526 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.022 -1.569 -9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.659 -2.474 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.832 -3.848 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.039 -3.665 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.824 -2.260 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.354 -4.260 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.760 -3.634 -12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.998 -4.995 -11.670 1.00 0.00 H new ATOM 965 N ARG A 59 4.134 0.479 -9.776 1.00 0.00 N ATOM 966 CA ARG A 59 3.439 1.164 -10.857 1.00 0.00 C ATOM 967 C ARG A 59 2.791 2.450 -10.347 1.00 0.00 C ATOM 968 O ARG A 59 2.617 3.410 -11.095 1.00 0.00 O ATOM 969 CB ARG A 59 2.377 0.251 -11.475 1.00 0.00 C ATOM 970 CG ARG A 59 2.964 -0.834 -12.360 1.00 0.00 C ATOM 971 CD ARG A 59 1.890 -1.541 -13.173 1.00 0.00 C ATOM 972 NE ARG A 59 0.926 -0.601 -13.754 1.00 0.00 N ATOM 973 CZ ARG A 59 0.712 -0.455 -15.061 1.00 0.00 C ATOM 974 NH1 ARG A 59 1.364 -1.204 -15.946 1.00 0.00 N ATOM 975 NH2 ARG A 59 -0.167 0.442 -15.486 1.00 0.00 N ATOM 0 H ARG A 59 3.776 -0.451 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 59 4.170 1.421 -11.624 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.798 -0.214 -10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.685 0.855 -12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.700 -0.395 -13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.491 -1.562 -11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.360 -2.116 -13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.363 -2.251 -12.536 1.00 0.00 H new ATOM 0 HE ARG A 59 0.383 -0.020 -13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.037 -1.901 -15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.191 -1.082 -16.944 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.675 1.016 -14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.335 0.558 -16.485 1.00 0.00 H new ATOM 989 N ARG A 60 2.433 2.457 -9.065 1.00 0.00 N ATOM 990 CA ARG A 60 1.798 3.614 -8.448 1.00 0.00 C ATOM 991 C ARG A 60 2.808 4.725 -8.182 1.00 0.00 C ATOM 992 O ARG A 60 2.541 5.897 -8.451 1.00 0.00 O ATOM 993 CB ARG A 60 1.083 3.199 -7.157 1.00 0.00 C ATOM 994 CG ARG A 60 -0.421 3.054 -7.330 1.00 0.00 C ATOM 995 CD ARG A 60 -1.202 3.868 -6.307 1.00 0.00 C ATOM 996 NE ARG A 60 -2.477 3.234 -5.978 1.00 0.00 N ATOM 997 CZ ARG A 60 -3.577 3.344 -6.723 1.00 0.00 C ATOM 998 NH1 ARG A 60 -3.587 4.125 -7.797 1.00 0.00 N ATOM 999 NH2 ARG A 60 -4.676 2.681 -6.385 1.00 0.00 N ATOM 0 H ARG A 60 2.574 1.669 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 60 1.057 4.008 -9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.496 2.252 -6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.284 3.939 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.701 3.372 -8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.695 2.003 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.607 3.983 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.383 4.869 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.528 2.674 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.749 4.646 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.432 4.204 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.679 2.088 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.518 2.765 -6.955 1.00 0.00 H new ATOM 1013 N LYS A 61 3.967 4.347 -7.662 1.00 0.00 N ATOM 1014 CA LYS A 61 5.031 5.309 -7.372 1.00 0.00 C ATOM 1015 C LYS A 61 5.250 6.225 -8.565 1.00 0.00 C ATOM 1016 O LYS A 61 5.472 7.425 -8.415 1.00 0.00 O ATOM 1017 CB LYS A 61 6.325 4.584 -7.007 1.00 0.00 C ATOM 1018 CG LYS A 61 6.788 4.878 -5.594 1.00 0.00 C ATOM 1019 CD LYS A 61 7.716 3.795 -5.071 1.00 0.00 C ATOM 1020 CE LYS A 61 9.135 3.989 -5.574 1.00 0.00 C ATOM 1021 NZ LYS A 61 9.870 2.698 -5.668 1.00 0.00 N ATOM 0 H LYS A 61 4.199 3.381 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 61 4.728 5.916 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.178 3.510 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.108 4.874 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.301 5.839 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.922 4.964 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.711 3.805 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.349 2.817 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.111 4.466 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.669 4.663 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.835 2.872 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.915 2.255 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.375 2.064 -6.327 1.00 0.00 H new ATOM 1035 N ARG A 62 5.183 5.626 -9.741 1.00 0.00 N ATOM 1036 CA ARG A 62 5.346 6.302 -11.032 1.00 0.00 C ATOM 1037 C ARG A 62 4.635 7.656 -11.137 1.00 0.00 C ATOM 1038 O ARG A 62 4.794 8.348 -12.143 1.00 0.00 O ATOM 1039 CB ARG A 62 4.873 5.387 -12.163 1.00 0.00 C ATOM 1040 CG ARG A 62 5.838 4.253 -12.471 1.00 0.00 C ATOM 1041 CD ARG A 62 6.009 4.052 -13.970 1.00 0.00 C ATOM 1042 NE ARG A 62 7.095 3.122 -14.279 1.00 0.00 N ATOM 1043 CZ ARG A 62 8.382 3.459 -14.292 1.00 0.00 C ATOM 1044 NH1 ARG A 62 8.756 4.696 -13.999 1.00 0.00 N ATOM 1045 NH2 ARG A 62 9.301 2.551 -14.597 1.00 0.00 N ATOM 0 H ARG A 62 5.009 4.625 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 62 6.412 6.514 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.903 4.966 -11.897 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.726 5.983 -13.064 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.807 4.467 -12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.472 3.331 -12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.078 3.675 -14.394 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.209 5.013 -14.444 1.00 0.00 H new ATOM 0 HE ARG A 62 6.851 2.156 -14.498 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.055 5.398 -13.761 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.745 4.946 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.020 1.596 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.288 2.808 -14.607 1.00 0.00 H new ATOM 1059 N ARG A 63 3.886 8.062 -10.120 1.00 0.00 N ATOM 1060 CA ARG A 63 3.211 9.353 -10.147 1.00 0.00 C ATOM 1061 C ARG A 63 3.446 10.088 -8.829 1.00 0.00 C ATOM 1062 O ARG A 63 3.936 11.219 -8.814 1.00 0.00 O ATOM 1063 CB ARG A 63 1.713 9.174 -10.398 1.00 0.00 C ATOM 1064 CG ARG A 63 1.153 10.125 -11.445 1.00 0.00 C ATOM 1065 CD ARG A 63 1.930 10.045 -12.752 1.00 0.00 C ATOM 1066 NE ARG A 63 1.140 9.444 -13.825 1.00 0.00 N ATOM 1067 CZ ARG A 63 1.655 8.683 -14.789 1.00 0.00 C ATOM 1068 NH1 ARG A 63 2.957 8.427 -14.823 1.00 0.00 N ATOM 1069 NH2 ARG A 63 0.863 8.176 -15.724 1.00 0.00 N ATOM 0 H ARG A 63 3.731 7.519 -9.270 1.00 0.00 H new ATOM 0 HA ARG A 63 3.623 9.947 -10.963 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.526 8.148 -10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.176 9.321 -9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.105 9.887 -11.629 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.186 11.146 -11.064 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.242 11.046 -13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.837 9.460 -12.599 1.00 0.00 H new ATOM 0 HE ARG A 63 0.135 9.618 -13.836 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.572 8.814 -14.107 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.343 7.843 -15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.138 8.369 -15.704 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.255 7.593 -16.463 1.00 0.00 H new ATOM 1083 N LEU A 64 3.107 9.430 -7.723 1.00 0.00 N ATOM 1084 CA LEU A 64 3.284 10.008 -6.391 1.00 0.00 C ATOM 1085 C LEU A 64 4.759 10.003 -5.989 1.00 0.00 C ATOM 1086 O LEU A 64 5.516 9.118 -6.383 1.00 0.00 O ATOM 1087 CB LEU A 64 2.453 9.221 -5.370 1.00 0.00 C ATOM 1088 CG LEU A 64 2.404 9.807 -3.953 1.00 0.00 C ATOM 1089 CD1 LEU A 64 3.710 9.549 -3.217 1.00 0.00 C ATOM 1090 CD2 LEU A 64 2.094 11.296 -3.992 1.00 0.00 C ATOM 0 H LEU A 64 2.706 8.492 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 64 2.941 11.043 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.433 9.141 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.851 8.208 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 64 1.602 9.308 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.653 9.973 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.882 8.475 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.532 10.014 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.065 11.688 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.868 11.814 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.127 11.454 -4.470 1.00 0.00 H new ATOM 1102 N LYS A 65 5.162 11.000 -5.201 1.00 0.00 N ATOM 1103 CA LYS A 65 6.545 11.122 -4.746 1.00 0.00 C ATOM 1104 C LYS A 65 7.436 11.656 -5.861 1.00 0.00 C ATOM 1105 O LYS A 65 8.634 11.372 -5.909 1.00 0.00 O ATOM 1106 CB LYS A 65 7.078 9.776 -4.243 1.00 0.00 C ATOM 1107 CG LYS A 65 8.077 9.907 -3.105 1.00 0.00 C ATOM 1108 CD LYS A 65 7.463 10.610 -1.903 1.00 0.00 C ATOM 1109 CE LYS A 65 6.460 9.718 -1.190 1.00 0.00 C ATOM 1110 NZ LYS A 65 6.436 9.968 0.279 1.00 0.00 N ATOM 0 H LYS A 65 4.545 11.739 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 65 6.561 11.830 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.240 9.163 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.550 9.249 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.426 8.917 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.949 10.464 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.251 10.901 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.970 11.526 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.466 9.888 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.708 8.673 -1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.816 9.272 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.399 9.880 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.077 10.927 0.462 1.00 0.00 H new ATOM 1124 N GLY A 66 6.838 12.435 -6.751 1.00 0.00 N ATOM 1125 CA GLY A 66 7.574 13.013 -7.859 1.00 0.00 C ATOM 1126 C GLY A 66 7.007 14.355 -8.285 1.00 0.00 C ATOM 1127 O GLY A 66 7.721 15.193 -8.836 1.00 0.00 O ATOM 0 H GLY A 66 5.848 12.679 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.619 13.136 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.553 12.326 -8.705 1.00 0.00 H new ATOM 1131 N SER A 67 5.718 14.557 -8.026 1.00 0.00 N ATOM 1132 CA SER A 67 5.045 15.798 -8.380 1.00 0.00 C ATOM 1133 C SER A 67 4.165 16.273 -7.221 1.00 0.00 C ATOM 1134 O SER A 67 4.408 15.918 -6.068 1.00 0.00 O ATOM 1135 CB SER A 67 4.210 15.589 -9.647 1.00 0.00 C ATOM 1136 OG SER A 67 5.015 15.118 -10.714 1.00 0.00 O ATOM 0 H SER A 67 5.117 13.871 -7.569 1.00 0.00 H new ATOM 0 HA SER A 67 5.791 16.568 -8.576 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.411 14.875 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.734 16.527 -9.932 1.00 0.00 H new ATOM 0 HG SER A 67 4.460 14.991 -11.511 1.00 0.00 H new ATOM 1142 N ASN A 68 3.148 17.075 -7.527 1.00 0.00 N ATOM 1143 CA ASN A 68 2.244 17.587 -6.503 1.00 0.00 C ATOM 1144 C ASN A 68 3.013 18.341 -5.423 1.00 0.00 C ATOM 1145 O ASN A 68 3.660 17.737 -4.567 1.00 0.00 O ATOM 1146 CB ASN A 68 1.444 16.440 -5.877 1.00 0.00 C ATOM 1147 CG ASN A 68 0.455 16.926 -4.835 1.00 0.00 C ATOM 1148 OD1 ASN A 68 0.772 16.998 -3.648 1.00 0.00 O ATOM 1149 ND2 ASN A 68 -0.751 17.265 -5.277 1.00 0.00 N ATOM 0 H ASN A 68 2.930 17.383 -8.475 1.00 0.00 H new ATOM 0 HA ASN A 68 1.553 18.282 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.908 15.904 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.131 15.729 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.458 17.601 -4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.970 17.189 -6.270 1.00 0.00 H new ATOM 1156 N SER A 69 2.939 19.666 -5.472 1.00 0.00 N ATOM 1157 CA SER A 69 3.628 20.508 -4.501 1.00 0.00 C ATOM 1158 C SER A 69 2.805 20.652 -3.225 1.00 0.00 C ATOM 1159 O SER A 69 2.020 19.728 -2.921 1.00 0.00 O ATOM 1160 CB SER A 69 3.905 21.888 -5.101 1.00 0.00 C ATOM 1161 OG SER A 69 2.801 22.345 -5.864 1.00 0.00 O ATOM 1162 OXT SER A 69 2.952 21.684 -2.539 1.00 0.00 O ATOM 0 H SER A 69 2.408 20.181 -6.175 1.00 0.00 H new ATOM 0 HA SER A 69 4.575 20.031 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.118 22.599 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.793 21.842 -5.732 1.00 0.00 H new ATOM 0 HG SER A 69 3.003 23.229 -6.235 1.00 0.00 H new TER 1168 SER A 69