USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 922 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 GLY N :NH3+ -145:sc= 0.0248 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -126:sc= 0.179 (180deg=-0.167) USER MOD Single : A 21 THR OG1 : rot 152:sc= 0.00584 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.317 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -126:sc= -1.16 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.846 F(o=-4.6!,f=-0.85) USER MOD Single : A 51 SER OG : rot 47:sc= 0.678 USER MOD Single : A 59 SER OG : rot -10:sc= -0.717 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 MET CE :methyl -136:sc= -0.657 (180deg=-3.15!) USER MOD Single : A 66 HIS : no HD1:sc=-0.00106 X(o=-0.0011,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-1.6) USER MOD Single : A 74 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.035) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0207) USER MOD Single : A 83 LYS NZ :NH3+ 147:sc=-0.00311 (180deg=-1.31) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 94:sc= -3.1! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 103 TYR OH : rot 30:sc=-0.00356 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -67:sc= 0.85 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= 0.766 (180deg=0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.521 7.392 -25.739 1.00 0.00 N ATOM 2 CA GLY A 1 27.133 7.728 -25.483 1.00 0.00 C ATOM 3 C GLY A 1 26.424 6.671 -24.659 1.00 0.00 C ATOM 4 O GLY A 1 27.041 6.003 -23.829 1.00 0.00 O ATOM 0 H1 GLY A 1 29.093 8.260 -25.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.866 6.752 -24.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.600 6.922 -26.663 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.084 8.684 -24.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.612 7.855 -26.432 1.00 0.00 H new ATOM 8 N SER A 2 25.123 6.519 -24.888 1.00 0.00 N ATOM 9 CA SER A 2 24.328 5.540 -24.157 1.00 0.00 C ATOM 10 C SER A 2 23.423 4.759 -25.105 1.00 0.00 C ATOM 11 O SER A 2 23.103 5.223 -26.199 1.00 0.00 O ATOM 12 CB SER A 2 23.486 6.233 -23.085 1.00 0.00 C ATOM 13 OG SER A 2 22.552 7.126 -23.667 1.00 0.00 O ATOM 0 H SER A 2 24.598 7.061 -25.574 1.00 0.00 H new ATOM 0 HA SER A 2 25.011 4.840 -23.675 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.958 5.485 -22.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.138 6.778 -22.402 1.00 0.00 H new ATOM 0 HG SER A 2 22.025 7.555 -22.960 1.00 0.00 H new ATOM 19 N SER A 3 23.013 3.569 -24.676 1.00 0.00 N ATOM 20 CA SER A 3 22.147 2.721 -25.487 1.00 0.00 C ATOM 21 C SER A 3 21.679 1.506 -24.692 1.00 0.00 C ATOM 22 O SER A 3 22.167 1.241 -23.595 1.00 0.00 O ATOM 23 CB SER A 3 22.881 2.266 -26.750 1.00 0.00 C ATOM 24 OG SER A 3 23.763 1.193 -26.469 1.00 0.00 O ATOM 0 H SER A 3 23.267 3.171 -23.772 1.00 0.00 H new ATOM 0 HA SER A 3 21.273 3.305 -25.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.157 1.958 -27.504 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.442 3.101 -27.169 1.00 0.00 H new ATOM 0 HG SER A 3 24.218 0.920 -27.293 1.00 0.00 H new ATOM 30 N GLY A 4 20.725 0.770 -25.256 1.00 0.00 N ATOM 31 CA GLY A 4 20.205 -0.409 -24.587 1.00 0.00 C ATOM 32 C GLY A 4 18.931 -0.924 -25.227 1.00 0.00 C ATOM 33 O GLY A 4 17.853 -0.370 -25.014 1.00 0.00 O ATOM 0 H GLY A 4 20.304 0.969 -26.163 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.960 -1.195 -24.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.013 -0.174 -23.540 1.00 0.00 H new ATOM 37 N SER A 5 19.055 -1.987 -26.016 1.00 0.00 N ATOM 38 CA SER A 5 17.906 -2.574 -26.694 1.00 0.00 C ATOM 39 C SER A 5 17.478 -3.871 -26.014 1.00 0.00 C ATOM 40 O SER A 5 18.091 -4.920 -26.212 1.00 0.00 O ATOM 41 CB SER A 5 18.235 -2.840 -28.164 1.00 0.00 C ATOM 42 OG SER A 5 17.215 -3.602 -28.785 1.00 0.00 O ATOM 0 H SER A 5 19.940 -2.459 -26.201 1.00 0.00 H new ATOM 0 HA SER A 5 17.080 -1.865 -26.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.357 -1.893 -28.690 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.185 -3.370 -28.237 1.00 0.00 H new ATOM 0 HG SER A 5 17.448 -3.757 -29.724 1.00 0.00 H new ATOM 48 N SER A 6 16.421 -3.791 -25.213 1.00 0.00 N ATOM 49 CA SER A 6 15.912 -4.957 -24.499 1.00 0.00 C ATOM 50 C SER A 6 14.399 -5.074 -24.661 1.00 0.00 C ATOM 51 O SER A 6 13.753 -4.190 -25.221 1.00 0.00 O ATOM 52 CB SER A 6 16.273 -4.870 -23.015 1.00 0.00 C ATOM 53 OG SER A 6 15.717 -3.710 -22.421 1.00 0.00 O ATOM 0 H SER A 6 15.900 -2.931 -25.042 1.00 0.00 H new ATOM 0 HA SER A 6 16.376 -5.846 -24.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.910 -5.757 -22.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.357 -4.856 -22.902 1.00 0.00 H new ATOM 0 HG SER A 6 15.961 -3.679 -21.472 1.00 0.00 H new ATOM 59 N GLY A 7 13.841 -6.175 -24.165 1.00 0.00 N ATOM 60 CA GLY A 7 12.410 -6.390 -24.264 1.00 0.00 C ATOM 61 C GLY A 7 11.972 -7.689 -23.617 1.00 0.00 C ATOM 62 O GLY A 7 10.842 -7.805 -23.145 1.00 0.00 O ATOM 0 H GLY A 7 14.355 -6.921 -23.697 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.887 -5.558 -23.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.118 -6.395 -25.314 1.00 0.00 H new ATOM 66 N GLU A 8 12.870 -8.670 -23.599 1.00 0.00 N ATOM 67 CA GLU A 8 12.568 -9.969 -23.009 1.00 0.00 C ATOM 68 C GLU A 8 12.570 -9.887 -21.484 1.00 0.00 C ATOM 69 O GLU A 8 12.284 -10.869 -20.799 1.00 0.00 O ATOM 70 CB GLU A 8 13.582 -11.015 -23.476 1.00 0.00 C ATOM 71 CG GLU A 8 14.998 -10.746 -22.993 1.00 0.00 C ATOM 72 CD GLU A 8 15.993 -11.771 -23.505 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.676 -12.978 -23.460 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.087 -11.366 -23.950 1.00 0.00 O ATOM 0 H GLU A 8 13.811 -8.590 -23.985 1.00 0.00 H new ATOM 0 HA GLU A 8 11.573 -10.267 -23.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.267 -11.997 -23.124 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.579 -11.051 -24.565 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.306 -9.752 -23.318 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.012 -10.744 -21.903 1.00 0.00 H new ATOM 81 N VAL A 9 12.896 -8.709 -20.962 1.00 0.00 N ATOM 82 CA VAL A 9 12.935 -8.498 -19.519 1.00 0.00 C ATOM 83 C VAL A 9 11.751 -7.658 -19.055 1.00 0.00 C ATOM 84 O VAL A 9 11.406 -7.653 -17.873 1.00 0.00 O ATOM 85 CB VAL A 9 14.243 -7.805 -19.089 1.00 0.00 C ATOM 86 CG1 VAL A 9 14.255 -7.574 -17.587 1.00 0.00 C ATOM 87 CG2 VAL A 9 15.448 -8.627 -19.521 1.00 0.00 C ATOM 0 H VAL A 9 13.137 -7.887 -21.516 1.00 0.00 H new ATOM 0 HA VAL A 9 12.883 -9.482 -19.053 1.00 0.00 H new ATOM 0 HB VAL A 9 14.299 -6.834 -19.582 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.186 -7.084 -17.302 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.412 -6.941 -17.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.176 -8.531 -17.071 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.363 -8.123 -19.209 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.401 -9.613 -19.058 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.445 -8.735 -20.606 1.00 0.00 H new ATOM 97 N LEU A 10 11.132 -6.949 -19.992 1.00 0.00 N ATOM 98 CA LEU A 10 9.984 -6.104 -19.679 1.00 0.00 C ATOM 99 C LEU A 10 8.677 -6.837 -19.959 1.00 0.00 C ATOM 100 O LEU A 10 7.870 -6.397 -20.778 1.00 0.00 O ATOM 101 CB LEU A 10 10.042 -4.809 -20.492 1.00 0.00 C ATOM 102 CG LEU A 10 9.303 -3.610 -19.898 1.00 0.00 C ATOM 103 CD1 LEU A 10 10.086 -3.025 -18.732 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.059 -2.552 -20.964 1.00 0.00 C ATOM 0 H LEU A 10 11.405 -6.942 -20.975 1.00 0.00 H new ATOM 0 HA LEU A 10 10.022 -5.860 -18.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.088 -4.535 -20.627 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.634 -5.007 -21.483 1.00 0.00 H new ATOM 0 HG LEU A 10 8.337 -3.951 -19.526 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.545 -2.172 -18.322 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.208 -3.783 -17.959 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.067 -2.699 -19.079 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.532 -1.706 -20.523 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.014 -2.215 -21.367 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.456 -2.977 -21.767 1.00 0.00 H new ATOM 116 N ALA A 11 8.472 -7.957 -19.272 1.00 0.00 N ATOM 117 CA ALA A 11 7.260 -8.748 -19.445 1.00 0.00 C ATOM 118 C ALA A 11 6.342 -8.616 -18.235 1.00 0.00 C ATOM 119 O ALA A 11 5.254 -9.192 -18.202 1.00 0.00 O ATOM 120 CB ALA A 11 7.613 -10.208 -19.686 1.00 0.00 C ATOM 0 H ALA A 11 9.130 -8.336 -18.591 1.00 0.00 H new ATOM 0 HA ALA A 11 6.727 -8.366 -20.316 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.698 -10.787 -19.813 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.223 -10.291 -20.585 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.170 -10.593 -18.832 1.00 0.00 H new ATOM 126 N LYS A 12 6.786 -7.856 -17.240 1.00 0.00 N ATOM 127 CA LYS A 12 6.006 -7.647 -16.026 1.00 0.00 C ATOM 128 C LYS A 12 5.134 -6.401 -16.148 1.00 0.00 C ATOM 129 O LYS A 12 4.480 -5.995 -15.189 1.00 0.00 O ATOM 130 CB LYS A 12 6.931 -7.519 -14.815 1.00 0.00 C ATOM 131 CG LYS A 12 7.662 -6.189 -14.746 1.00 0.00 C ATOM 132 CD LYS A 12 8.966 -6.229 -15.526 1.00 0.00 C ATOM 133 CE LYS A 12 9.989 -5.262 -14.951 1.00 0.00 C ATOM 134 NZ LYS A 12 11.280 -5.316 -15.690 1.00 0.00 N ATOM 0 H LYS A 12 7.684 -7.373 -17.251 1.00 0.00 H new ATOM 0 HA LYS A 12 5.357 -8.512 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.345 -7.650 -13.905 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.663 -8.326 -14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.023 -5.400 -15.144 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.867 -5.939 -13.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.371 -7.241 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.775 -5.980 -16.570 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.591 -4.248 -14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.162 -5.498 -13.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.056 -5.491 -15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.247 -6.084 -16.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.440 -4.411 -16.176 1.00 0.00 H new ATOM 148 N GLU A 13 5.129 -5.800 -17.334 1.00 0.00 N ATOM 149 CA GLU A 13 4.337 -4.601 -17.580 1.00 0.00 C ATOM 150 C GLU A 13 2.895 -4.962 -17.923 1.00 0.00 C ATOM 151 O GLU A 13 1.998 -4.125 -17.836 1.00 0.00 O ATOM 152 CB GLU A 13 4.952 -3.780 -18.715 1.00 0.00 C ATOM 153 CG GLU A 13 6.232 -3.061 -18.321 1.00 0.00 C ATOM 154 CD GLU A 13 5.979 -1.871 -17.416 1.00 0.00 C ATOM 155 OE1 GLU A 13 5.078 -1.066 -17.731 1.00 0.00 O ATOM 156 OE2 GLU A 13 6.682 -1.746 -16.391 1.00 0.00 O ATOM 0 H GLU A 13 5.665 -6.124 -18.139 1.00 0.00 H new ATOM 0 HA GLU A 13 4.337 -4.004 -16.668 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.160 -4.439 -19.558 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.223 -3.045 -19.057 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.897 -3.762 -17.816 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.747 -2.725 -19.221 1.00 0.00 H new ATOM 163 N GLU A 14 2.682 -6.216 -18.313 1.00 0.00 N ATOM 164 CA GLU A 14 1.349 -6.688 -18.670 1.00 0.00 C ATOM 165 C GLU A 14 0.878 -7.771 -17.704 1.00 0.00 C ATOM 166 O GLU A 14 -0.135 -8.429 -17.938 1.00 0.00 O ATOM 167 CB GLU A 14 1.342 -7.227 -20.101 1.00 0.00 C ATOM 168 CG GLU A 14 1.089 -6.161 -21.153 1.00 0.00 C ATOM 169 CD GLU A 14 -0.342 -5.660 -21.145 1.00 0.00 C ATOM 170 OE1 GLU A 14 -0.671 -4.816 -20.286 1.00 0.00 O ATOM 171 OE2 GLU A 14 -1.134 -6.116 -21.997 1.00 0.00 O ATOM 0 H GLU A 14 3.414 -6.922 -18.389 1.00 0.00 H new ATOM 0 HA GLU A 14 0.663 -5.844 -18.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.300 -7.706 -20.304 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.576 -7.998 -20.186 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.764 -5.322 -20.984 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.323 -6.565 -22.138 1.00 0.00 H new ATOM 178 N ALA A 15 1.622 -7.949 -16.616 1.00 0.00 N ATOM 179 CA ALA A 15 1.279 -8.950 -15.614 1.00 0.00 C ATOM 180 C ALA A 15 -0.125 -8.721 -15.065 1.00 0.00 C ATOM 181 O ALA A 15 -0.456 -7.622 -14.621 1.00 0.00 O ATOM 182 CB ALA A 15 2.299 -8.935 -14.484 1.00 0.00 C ATOM 0 H ALA A 15 2.465 -7.414 -16.407 1.00 0.00 H new ATOM 0 HA ALA A 15 1.297 -9.929 -16.093 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.031 -9.687 -13.742 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.289 -9.156 -14.884 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.309 -7.951 -14.016 1.00 0.00 H new ATOM 188 N ARG A 16 -0.946 -9.765 -15.099 1.00 0.00 N ATOM 189 CA ARG A 16 -2.316 -9.677 -14.608 1.00 0.00 C ATOM 190 C ARG A 16 -2.524 -10.600 -13.411 1.00 0.00 C ATOM 191 O ARG A 16 -3.656 -10.951 -13.074 1.00 0.00 O ATOM 192 CB ARG A 16 -3.303 -10.035 -15.719 1.00 0.00 C ATOM 193 CG ARG A 16 -3.740 -8.841 -16.554 1.00 0.00 C ATOM 194 CD ARG A 16 -4.737 -7.972 -15.803 1.00 0.00 C ATOM 195 NE ARG A 16 -5.094 -6.773 -16.557 1.00 0.00 N ATOM 196 CZ ARG A 16 -6.199 -6.070 -16.339 1.00 0.00 C ATOM 197 NH1 ARG A 16 -7.051 -6.445 -15.396 1.00 0.00 N ATOM 198 NH2 ARG A 16 -6.454 -4.990 -17.067 1.00 0.00 N ATOM 0 H ARG A 16 -0.686 -10.682 -15.462 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.496 -8.650 -14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.847 -10.778 -16.373 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.184 -10.499 -15.275 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.868 -8.246 -16.824 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.188 -9.190 -17.484 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.637 -8.550 -15.594 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.314 -7.683 -14.841 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.460 -6.459 -17.291 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.859 -7.275 -14.836 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.899 -5.903 -15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.801 -4.700 -17.795 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.303 -4.450 -16.899 1.00 0.00 H new ATOM 212 N ARG A 17 -1.425 -10.989 -12.772 1.00 0.00 N ATOM 213 CA ARG A 17 -1.488 -11.873 -11.614 1.00 0.00 C ATOM 214 C ARG A 17 -1.300 -11.087 -10.320 1.00 0.00 C ATOM 215 O ARG A 17 -0.485 -11.451 -9.472 1.00 0.00 O ATOM 216 CB ARG A 17 -0.420 -12.963 -11.719 1.00 0.00 C ATOM 217 CG ARG A 17 -0.834 -14.139 -12.591 1.00 0.00 C ATOM 218 CD ARG A 17 -0.761 -13.789 -14.068 1.00 0.00 C ATOM 219 NE ARG A 17 0.616 -13.739 -14.552 1.00 0.00 N ATOM 220 CZ ARG A 17 1.385 -14.813 -14.693 1.00 0.00 C ATOM 221 NH1 ARG A 17 0.914 -16.014 -14.390 1.00 0.00 N ATOM 222 NH2 ARG A 17 2.628 -14.686 -15.139 1.00 0.00 N ATOM 0 H ARG A 17 -0.481 -10.706 -13.036 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.473 -12.339 -11.597 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.494 -12.527 -12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.185 -13.328 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.187 -14.992 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.850 -14.442 -12.337 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.321 -14.527 -14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.239 -12.824 -14.236 1.00 0.00 H new ATOM 0 HE ARG A 17 1.009 -12.830 -14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.041 -16.116 -14.047 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.507 -16.837 -14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.994 -13.763 -15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.218 -15.511 -15.247 1.00 0.00 H new ATOM 236 N ALA A 18 -2.060 -10.007 -10.174 1.00 0.00 N ATOM 237 CA ALA A 18 -1.980 -9.169 -8.983 1.00 0.00 C ATOM 238 C ALA A 18 -3.262 -9.257 -8.163 1.00 0.00 C ATOM 239 O ALA A 18 -3.833 -8.237 -7.773 1.00 0.00 O ATOM 240 CB ALA A 18 -1.696 -7.726 -9.371 1.00 0.00 C ATOM 0 H ALA A 18 -2.739 -9.691 -10.866 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.160 -9.535 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.639 -7.112 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.749 -7.673 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.497 -7.357 -10.012 1.00 0.00 H new ATOM 246 N LEU A 19 -3.711 -10.480 -7.904 1.00 0.00 N ATOM 247 CA LEU A 19 -4.927 -10.700 -7.130 1.00 0.00 C ATOM 248 C LEU A 19 -4.679 -10.459 -5.644 1.00 0.00 C ATOM 249 O LEU A 19 -5.223 -9.523 -5.059 1.00 0.00 O ATOM 250 CB LEU A 19 -5.443 -12.124 -7.347 1.00 0.00 C ATOM 251 CG LEU A 19 -6.192 -12.373 -8.657 1.00 0.00 C ATOM 252 CD1 LEU A 19 -6.214 -13.858 -8.986 1.00 0.00 C ATOM 253 CD2 LEU A 19 -7.609 -11.823 -8.574 1.00 0.00 C ATOM 0 H LEU A 19 -3.251 -11.334 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.679 -9.990 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.595 -12.807 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.104 -12.380 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.667 -11.852 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.751 -14.016 -9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.192 -14.223 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.715 -14.401 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.127 -12.009 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.144 -12.316 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.572 -10.750 -8.386 1.00 0.00 H new ATOM 265 N GLU A 20 -3.851 -11.308 -5.043 1.00 0.00 N ATOM 266 CA GLU A 20 -3.530 -11.185 -3.626 1.00 0.00 C ATOM 267 C GLU A 20 -3.384 -9.720 -3.225 1.00 0.00 C ATOM 268 O GLU A 20 -4.127 -9.217 -2.382 1.00 0.00 O ATOM 269 CB GLU A 20 -2.241 -11.944 -3.305 1.00 0.00 C ATOM 270 CG GLU A 20 -2.335 -13.439 -3.558 1.00 0.00 C ATOM 271 CD GLU A 20 -0.991 -14.063 -3.878 1.00 0.00 C ATOM 272 OE1 GLU A 20 -0.516 -13.895 -5.021 1.00 0.00 O ATOM 273 OE2 GLU A 20 -0.412 -14.719 -2.987 1.00 0.00 O ATOM 0 H GLU A 20 -3.391 -12.087 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.351 -11.619 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.429 -11.533 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.982 -11.777 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.757 -13.926 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.022 -13.621 -4.385 1.00 0.00 H new ATOM 280 N THR A 21 -2.419 -9.040 -3.837 1.00 0.00 N ATOM 281 CA THR A 21 -2.173 -7.633 -3.544 1.00 0.00 C ATOM 282 C THR A 21 -2.231 -6.789 -4.813 1.00 0.00 C ATOM 283 O THR A 21 -1.904 -7.248 -5.907 1.00 0.00 O ATOM 284 CB THR A 21 -0.803 -7.431 -2.869 1.00 0.00 C ATOM 285 OG1 THR A 21 0.209 -7.240 -3.863 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.447 -8.626 -1.999 1.00 0.00 C ATOM 0 H THR A 21 -1.796 -9.440 -4.538 1.00 0.00 H new ATOM 0 HA THR A 21 -2.958 -7.310 -2.860 1.00 0.00 H new ATOM 0 HB THR A 21 -0.862 -6.546 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.930 -6.689 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.524 -8.460 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.204 -8.751 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.406 -9.525 -2.614 1.00 0.00 H new ATOM 294 N PRO A 22 -2.657 -5.526 -4.665 1.00 0.00 N ATOM 295 CA PRO A 22 -2.766 -4.591 -5.789 1.00 0.00 C ATOM 296 C PRO A 22 -1.403 -4.173 -6.330 1.00 0.00 C ATOM 297 O PRO A 22 -0.366 -4.596 -5.820 1.00 0.00 O ATOM 298 CB PRO A 22 -3.492 -3.389 -5.180 1.00 0.00 C ATOM 299 CG PRO A 22 -3.176 -3.452 -3.725 1.00 0.00 C ATOM 300 CD PRO A 22 -3.063 -4.913 -3.388 1.00 0.00 C ATOM 0 HA PRO A 22 -3.285 -5.034 -6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.146 -2.453 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.566 -3.446 -5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.246 -2.928 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.958 -2.975 -3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.325 -5.089 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.010 -5.318 -3.031 1.00 0.00 H new ATOM 308 N SER A 23 -1.414 -3.338 -7.365 1.00 0.00 N ATOM 309 CA SER A 23 -0.177 -2.865 -7.976 1.00 0.00 C ATOM 310 C SER A 23 0.464 -1.769 -7.129 1.00 0.00 C ATOM 311 O SER A 23 1.688 -1.659 -7.061 1.00 0.00 O ATOM 312 CB SER A 23 -0.451 -2.340 -9.387 1.00 0.00 C ATOM 313 OG SER A 23 0.749 -2.236 -10.134 1.00 0.00 O ATOM 0 H SER A 23 -2.264 -2.976 -7.797 1.00 0.00 H new ATOM 0 HA SER A 23 0.515 -3.705 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.145 -3.007 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.932 -1.364 -9.328 1.00 0.00 H new ATOM 0 HG SER A 23 0.547 -1.900 -11.032 1.00 0.00 H new ATOM 319 N CYS A 24 -0.372 -0.962 -6.486 1.00 0.00 N ATOM 320 CA CYS A 24 0.111 0.126 -5.644 1.00 0.00 C ATOM 321 C CYS A 24 0.985 -0.410 -4.513 1.00 0.00 C ATOM 322 O CYS A 24 1.973 0.216 -4.129 1.00 0.00 O ATOM 323 CB CYS A 24 -1.066 0.914 -5.067 1.00 0.00 C ATOM 324 SG CYS A 24 -2.362 -0.119 -4.344 1.00 0.00 S ATOM 0 H CYS A 24 -1.388 -1.041 -6.532 1.00 0.00 H new ATOM 0 HA CYS A 24 0.715 0.791 -6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.693 1.597 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.502 1.526 -5.857 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.312 0.638 -3.881 1.00 0.00 H new ATOM 330 N PHE A 25 0.610 -1.569 -3.982 1.00 0.00 N ATOM 331 CA PHE A 25 1.358 -2.187 -2.894 1.00 0.00 C ATOM 332 C PHE A 25 2.823 -2.374 -3.276 1.00 0.00 C ATOM 333 O PHE A 25 3.160 -2.467 -4.457 1.00 0.00 O ATOM 334 CB PHE A 25 0.740 -3.537 -2.523 1.00 0.00 C ATOM 335 CG PHE A 25 1.537 -4.304 -1.507 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.532 -5.179 -1.907 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.290 -4.147 -0.153 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.267 -5.887 -0.974 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.022 -4.852 0.785 1.00 0.00 C ATOM 340 CZ PHE A 25 3.012 -5.722 0.374 1.00 0.00 C ATOM 0 H PHE A 25 -0.207 -2.099 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 25 1.308 -1.523 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.265 -3.373 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.639 -4.141 -3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.737 -5.310 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.517 -3.467 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.040 -6.568 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.819 -4.722 1.838 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.586 -6.273 1.105 1.00 0.00 H new ATOM 350 N LEU A 26 3.689 -2.428 -2.271 1.00 0.00 N ATOM 351 CA LEU A 26 5.119 -2.605 -2.501 1.00 0.00 C ATOM 352 C LEU A 26 5.781 -3.293 -1.312 1.00 0.00 C ATOM 353 O LEU A 26 5.313 -3.185 -0.177 1.00 0.00 O ATOM 354 CB LEU A 26 5.784 -1.251 -2.756 1.00 0.00 C ATOM 355 CG LEU A 26 5.051 -0.028 -2.205 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.997 -0.076 -0.687 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.722 1.254 -2.677 1.00 0.00 C ATOM 0 H LEU A 26 3.426 -2.352 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 26 5.246 -3.238 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.785 -1.274 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.903 -1.124 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 26 4.029 -0.040 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.471 0.803 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.470 -0.976 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.011 -0.090 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.187 2.114 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.755 1.274 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.706 1.293 -3.766 1.00 0.00 H new ATOM 369 N LYS A 27 6.874 -4.000 -1.578 1.00 0.00 N ATOM 370 CA LYS A 27 7.605 -4.704 -0.530 1.00 0.00 C ATOM 371 C LYS A 27 8.792 -3.878 -0.045 1.00 0.00 C ATOM 372 O LYS A 27 9.811 -3.778 -0.728 1.00 0.00 O ATOM 373 CB LYS A 27 8.090 -6.062 -1.043 1.00 0.00 C ATOM 374 CG LYS A 27 7.056 -7.167 -0.908 1.00 0.00 C ATOM 375 CD LYS A 27 7.606 -8.505 -1.375 1.00 0.00 C ATOM 376 CE LYS A 27 6.645 -9.641 -1.066 1.00 0.00 C ATOM 377 NZ LYS A 27 5.645 -9.835 -2.154 1.00 0.00 N ATOM 0 H LYS A 27 7.274 -4.101 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 27 6.927 -4.860 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.372 -5.966 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.989 -6.348 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.740 -7.246 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.171 -6.912 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.794 -8.468 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.564 -8.695 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.208 -10.563 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.127 -9.434 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.008 -10.619 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.090 -8.964 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.137 -10.058 -3.042 1.00 0.00 H new ATOM 391 N VAL A 28 8.653 -3.288 1.138 1.00 0.00 N ATOM 392 CA VAL A 28 9.715 -2.474 1.715 1.00 0.00 C ATOM 393 C VAL A 28 9.652 -2.487 3.239 1.00 0.00 C ATOM 394 O VAL A 28 8.727 -3.047 3.827 1.00 0.00 O ATOM 395 CB VAL A 28 9.636 -1.017 1.222 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.452 -0.973 -0.287 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.509 -0.277 1.927 1.00 0.00 C ATOM 0 H VAL A 28 7.815 -3.359 1.715 1.00 0.00 H new ATOM 0 HA VAL A 28 10.660 -2.910 1.389 1.00 0.00 H new ATOM 0 HB VAL A 28 10.575 -0.518 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.398 0.064 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.296 -1.464 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.530 -1.488 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.467 0.751 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.561 -0.773 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.690 -0.278 3.002 1.00 0.00 H new ATOM 407 N SER A 29 10.642 -1.866 3.872 1.00 0.00 N ATOM 408 CA SER A 29 10.701 -1.809 5.328 1.00 0.00 C ATOM 409 C SER A 29 9.990 -0.565 5.852 1.00 0.00 C ATOM 410 O SER A 29 9.707 0.365 5.097 1.00 0.00 O ATOM 411 CB SER A 29 12.156 -1.818 5.801 1.00 0.00 C ATOM 412 OG SER A 29 12.714 -3.116 5.710 1.00 0.00 O ATOM 0 H SER A 29 11.414 -1.395 3.400 1.00 0.00 H new ATOM 0 HA SER A 29 10.193 -2.689 5.723 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.742 -1.124 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.209 -1.468 6.832 1.00 0.00 H new ATOM 0 HG SER A 29 13.645 -3.094 6.016 1.00 0.00 H new ATOM 418 N ARG A 30 9.708 -0.555 7.151 1.00 0.00 N ATOM 419 CA ARG A 30 9.030 0.574 7.777 1.00 0.00 C ATOM 420 C ARG A 30 9.688 1.891 7.380 1.00 0.00 C ATOM 421 O ARG A 30 9.032 2.792 6.854 1.00 0.00 O ATOM 422 CB ARG A 30 9.043 0.423 9.299 1.00 0.00 C ATOM 423 CG ARG A 30 8.911 -1.017 9.770 1.00 0.00 C ATOM 424 CD ARG A 30 10.272 -1.663 9.974 1.00 0.00 C ATOM 425 NE ARG A 30 10.760 -1.493 11.340 1.00 0.00 N ATOM 426 CZ ARG A 30 11.728 -2.231 11.872 1.00 0.00 C ATOM 427 NH1 ARG A 30 12.309 -3.184 11.156 1.00 0.00 N ATOM 428 NH2 ARG A 30 12.116 -2.017 13.123 1.00 0.00 N ATOM 0 H ARG A 30 9.938 -1.316 7.790 1.00 0.00 H new ATOM 0 HA ARG A 30 7.997 0.585 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.971 0.840 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.228 1.010 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.350 -1.045 10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.341 -1.590 9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.207 -2.726 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.988 -1.228 9.277 1.00 0.00 H new ATOM 0 HE ARG A 30 10.334 -0.768 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.013 -3.352 10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.052 -3.749 11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.671 -1.285 13.677 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.859 -2.584 13.531 1.00 0.00 H new ATOM 442 N LEU A 31 10.987 1.998 7.635 1.00 0.00 N ATOM 443 CA LEU A 31 11.735 3.206 7.304 1.00 0.00 C ATOM 444 C LEU A 31 11.551 3.576 5.836 1.00 0.00 C ATOM 445 O LEU A 31 11.291 4.734 5.507 1.00 0.00 O ATOM 446 CB LEU A 31 13.222 3.009 7.609 1.00 0.00 C ATOM 447 CG LEU A 31 13.573 2.707 9.067 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.906 1.980 9.154 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.609 3.991 9.883 1.00 0.00 C ATOM 0 H LEU A 31 11.545 1.263 8.070 1.00 0.00 H new ATOM 0 HA LEU A 31 11.349 4.021 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.595 2.193 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.757 3.909 7.306 1.00 0.00 H new ATOM 0 HG LEU A 31 12.801 2.059 9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.140 1.773 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.845 1.042 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.689 2.604 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.860 3.758 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.361 4.664 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.632 4.473 9.847 1.00 0.00 H new ATOM 461 N GLU A 32 11.685 2.586 4.960 1.00 0.00 N ATOM 462 CA GLU A 32 11.531 2.809 3.527 1.00 0.00 C ATOM 463 C GLU A 32 10.144 3.358 3.208 1.00 0.00 C ATOM 464 O GLU A 32 10.009 4.439 2.636 1.00 0.00 O ATOM 465 CB GLU A 32 11.765 1.507 2.758 1.00 0.00 C ATOM 466 CG GLU A 32 13.234 1.201 2.513 1.00 0.00 C ATOM 467 CD GLU A 32 13.437 -0.020 1.637 1.00 0.00 C ATOM 468 OE1 GLU A 32 12.849 -1.077 1.946 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.185 0.083 0.642 1.00 0.00 O ATOM 0 H GLU A 32 11.900 1.622 5.217 1.00 0.00 H new ATOM 0 HA GLU A 32 12.274 3.544 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.318 0.682 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.249 1.563 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.708 2.063 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.733 1.045 3.469 1.00 0.00 H new ATOM 476 N ALA A 33 9.115 2.604 3.581 1.00 0.00 N ATOM 477 CA ALA A 33 7.738 3.015 3.336 1.00 0.00 C ATOM 478 C ALA A 33 7.538 4.490 3.666 1.00 0.00 C ATOM 479 O ALA A 33 6.819 5.199 2.964 1.00 0.00 O ATOM 480 CB ALA A 33 6.779 2.155 4.146 1.00 0.00 C ATOM 0 H ALA A 33 9.209 1.705 4.054 1.00 0.00 H new ATOM 0 HA ALA A 33 7.526 2.876 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.754 2.473 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.895 1.110 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.000 2.265 5.208 1.00 0.00 H new ATOM 486 N GLN A 34 8.180 4.943 4.738 1.00 0.00 N ATOM 487 CA GLN A 34 8.070 6.335 5.161 1.00 0.00 C ATOM 488 C GLN A 34 8.900 7.244 4.261 1.00 0.00 C ATOM 489 O GLN A 34 8.377 8.186 3.663 1.00 0.00 O ATOM 490 CB GLN A 34 8.523 6.484 6.615 1.00 0.00 C ATOM 491 CG GLN A 34 7.823 7.611 7.357 1.00 0.00 C ATOM 492 CD GLN A 34 8.688 8.223 8.441 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.907 8.043 8.453 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.063 8.951 9.358 1.00 0.00 N ATOM 0 H GLN A 34 8.781 4.368 5.329 1.00 0.00 H new ATOM 0 HA GLN A 34 7.024 6.633 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.343 5.547 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.599 6.659 6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.536 8.386 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.904 7.231 7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.052 9.074 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.594 9.388 10.111 1.00 0.00 H new ATOM 503 N LEU A 35 10.192 6.957 4.169 1.00 0.00 N ATOM 504 CA LEU A 35 11.096 7.750 3.341 1.00 0.00 C ATOM 505 C LEU A 35 10.582 7.841 1.908 1.00 0.00 C ATOM 506 O LEU A 35 10.883 8.793 1.188 1.00 0.00 O ATOM 507 CB LEU A 35 12.498 7.141 3.354 1.00 0.00 C ATOM 508 CG LEU A 35 12.790 6.103 2.270 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.931 6.775 0.913 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.046 5.315 2.610 1.00 0.00 C ATOM 0 H LEU A 35 10.639 6.181 4.657 1.00 0.00 H new ATOM 0 HA LEU A 35 11.141 8.757 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.224 7.949 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.662 6.677 4.327 1.00 0.00 H new ATOM 0 HG LEU A 35 11.951 5.408 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.139 6.021 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.005 7.294 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.751 7.492 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.238 4.581 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.894 5.996 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.907 4.802 3.562 1.00 0.00 H new ATOM 522 N LEU A 36 9.803 6.843 1.500 1.00 0.00 N ATOM 523 CA LEU A 36 9.245 6.811 0.153 1.00 0.00 C ATOM 524 C LEU A 36 8.197 7.905 -0.029 1.00 0.00 C ATOM 525 O LEU A 36 7.972 8.386 -1.141 1.00 0.00 O ATOM 526 CB LEU A 36 8.624 5.442 -0.130 1.00 0.00 C ATOM 527 CG LEU A 36 9.577 4.370 -0.658 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.052 2.981 -0.327 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.776 4.523 -2.159 1.00 0.00 C ATOM 0 H LEU A 36 9.544 6.047 2.083 1.00 0.00 H new ATOM 0 HA LEU A 36 10.055 6.989 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.169 5.074 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.819 5.573 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 36 10.543 4.498 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.743 2.230 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.963 2.874 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.074 2.843 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.457 3.751 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.816 4.422 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.197 5.506 -2.372 1.00 0.00 H new ATOM 541 N LEU A 37 7.560 8.295 1.069 1.00 0.00 N ATOM 542 CA LEU A 37 6.537 9.335 1.033 1.00 0.00 C ATOM 543 C LEU A 37 7.159 10.702 0.770 1.00 0.00 C ATOM 544 O LEU A 37 6.579 11.536 0.075 1.00 0.00 O ATOM 545 CB LEU A 37 5.760 9.359 2.350 1.00 0.00 C ATOM 546 CG LEU A 37 5.092 8.046 2.760 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.866 8.010 4.263 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.778 7.860 2.016 1.00 0.00 C ATOM 0 H LEU A 37 7.734 7.907 1.996 1.00 0.00 H new ATOM 0 HA LEU A 37 5.850 9.107 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.442 9.660 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.991 10.128 2.281 1.00 0.00 H new ATOM 0 HG LEU A 37 5.756 7.224 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.390 7.069 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.823 8.095 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.223 8.840 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.317 6.920 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.107 8.686 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.967 7.840 0.943 1.00 0.00 H new ATOM 560 N GLU A 38 8.345 10.925 1.330 1.00 0.00 N ATOM 561 CA GLU A 38 9.046 12.191 1.155 1.00 0.00 C ATOM 562 C GLU A 38 9.748 12.242 -0.199 1.00 0.00 C ATOM 563 O GLU A 38 9.937 13.315 -0.772 1.00 0.00 O ATOM 564 CB GLU A 38 10.065 12.395 2.278 1.00 0.00 C ATOM 565 CG GLU A 38 11.168 11.350 2.297 1.00 0.00 C ATOM 566 CD GLU A 38 12.426 11.841 2.985 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.307 12.548 4.007 1.00 0.00 O ATOM 568 OE2 GLU A 38 13.532 11.517 2.501 1.00 0.00 O ATOM 0 H GLU A 38 8.839 10.245 1.908 1.00 0.00 H new ATOM 0 HA GLU A 38 8.309 12.993 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.514 13.383 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.545 12.380 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.807 10.455 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.407 11.061 1.274 1.00 0.00 H new ATOM 575 N ARG A 39 10.133 11.073 -0.704 1.00 0.00 N ATOM 576 CA ARG A 39 10.815 10.984 -1.988 1.00 0.00 C ATOM 577 C ARG A 39 9.837 11.200 -3.140 1.00 0.00 C ATOM 578 O ARG A 39 10.156 11.871 -4.122 1.00 0.00 O ATOM 579 CB ARG A 39 11.497 9.622 -2.134 1.00 0.00 C ATOM 580 CG ARG A 39 12.843 9.539 -1.434 1.00 0.00 C ATOM 581 CD ARG A 39 13.684 8.394 -1.978 1.00 0.00 C ATOM 582 NE ARG A 39 15.108 8.590 -1.724 1.00 0.00 N ATOM 583 CZ ARG A 39 16.060 7.818 -2.236 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.741 6.804 -3.027 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.334 8.062 -1.958 1.00 0.00 N ATOM 0 H ARG A 39 9.984 10.176 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 39 11.571 11.768 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.840 8.851 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.634 9.405 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.380 10.479 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.690 9.403 -0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.360 7.458 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.517 8.300 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 39 15.388 9.363 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.762 6.615 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.474 6.213 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.583 8.843 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.065 7.469 -2.351 1.00 0.00 H new ATOM 599 N TYR A 40 8.645 10.629 -3.012 1.00 0.00 N ATOM 600 CA TYR A 40 7.621 10.755 -4.043 1.00 0.00 C ATOM 601 C TYR A 40 6.285 11.175 -3.435 1.00 0.00 C ATOM 602 O TYR A 40 5.356 10.378 -3.306 1.00 0.00 O ATOM 603 CB TYR A 40 7.459 9.434 -4.796 1.00 0.00 C ATOM 604 CG TYR A 40 8.765 8.854 -5.289 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.551 8.060 -4.461 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.216 9.100 -6.579 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.746 7.528 -4.906 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.408 8.571 -7.034 1.00 0.00 C ATOM 609 CZ TYR A 40 11.170 7.786 -6.193 1.00 0.00 C ATOM 610 OH TYR A 40 12.360 7.259 -6.641 1.00 0.00 O ATOM 0 H TYR A 40 8.363 10.074 -2.204 1.00 0.00 H new ATOM 0 HA TYR A 40 7.940 11.527 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.973 8.710 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.796 9.590 -5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.222 7.856 -3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.624 9.716 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.345 6.914 -4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.742 8.770 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 40 12.511 7.535 -7.569 1.00 0.00 H new ATOM 620 N PRO A 41 6.187 12.457 -3.054 1.00 0.00 N ATOM 621 CA PRO A 41 4.970 13.012 -2.454 1.00 0.00 C ATOM 622 C PRO A 41 3.828 13.121 -3.458 1.00 0.00 C ATOM 623 O PRO A 41 2.665 12.907 -3.114 1.00 0.00 O ATOM 624 CB PRO A 41 5.407 14.404 -1.990 1.00 0.00 C ATOM 625 CG PRO A 41 6.552 14.757 -2.874 1.00 0.00 C ATOM 626 CD PRO A 41 7.255 13.463 -3.178 1.00 0.00 C ATOM 0 HA PRO A 41 4.586 12.381 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.596 15.126 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.704 14.396 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.205 15.237 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.224 15.459 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.689 13.467 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.069 13.274 -2.478 1.00 0.00 H new ATOM 634 N GLU A 42 4.166 13.455 -4.699 1.00 0.00 N ATOM 635 CA GLU A 42 3.165 13.592 -5.752 1.00 0.00 C ATOM 636 C GLU A 42 2.525 12.245 -6.072 1.00 0.00 C ATOM 637 O GLU A 42 1.304 12.140 -6.194 1.00 0.00 O ATOM 638 CB GLU A 42 3.800 14.180 -7.014 1.00 0.00 C ATOM 639 CG GLU A 42 4.938 13.341 -7.572 1.00 0.00 C ATOM 640 CD GLU A 42 5.925 14.161 -8.381 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.665 14.965 -7.777 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.956 13.998 -9.618 1.00 0.00 O ATOM 0 H GLU A 42 5.124 13.636 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 42 2.388 14.268 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.032 14.290 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.173 15.180 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.463 12.855 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.527 12.550 -8.200 1.00 0.00 H new ATOM 649 N CYS A 43 3.357 11.217 -6.208 1.00 0.00 N ATOM 650 CA CYS A 43 2.873 9.876 -6.516 1.00 0.00 C ATOM 651 C CYS A 43 1.677 9.516 -5.639 1.00 0.00 C ATOM 652 O CYS A 43 0.662 9.023 -6.128 1.00 0.00 O ATOM 653 CB CYS A 43 3.990 8.851 -6.323 1.00 0.00 C ATOM 654 SG CYS A 43 3.855 7.401 -7.394 1.00 0.00 S ATOM 0 H CYS A 43 4.370 11.287 -6.110 1.00 0.00 H new ATOM 0 HA CYS A 43 2.554 9.861 -7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.949 9.336 -6.505 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.992 8.523 -5.284 1.00 0.00 H new ATOM 0 HG CYS A 43 3.890 6.322 -6.670 1.00 0.00 H new ATOM 660 N GLY A 44 1.807 9.764 -4.339 1.00 0.00 N ATOM 661 CA GLY A 44 0.732 9.457 -3.414 1.00 0.00 C ATOM 662 C GLY A 44 1.197 9.431 -1.972 1.00 0.00 C ATOM 663 O GLY A 44 2.378 9.624 -1.691 1.00 0.00 O ATOM 0 H GLY A 44 2.638 10.172 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.060 10.198 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.301 8.489 -3.671 1.00 0.00 H new ATOM 667 N ASN A 45 0.264 9.195 -1.055 1.00 0.00 N ATOM 668 CA ASN A 45 0.584 9.148 0.367 1.00 0.00 C ATOM 669 C ASN A 45 0.136 7.825 0.982 1.00 0.00 C ATOM 670 O ASN A 45 0.718 7.354 1.959 1.00 0.00 O ATOM 671 CB ASN A 45 -0.080 10.315 1.100 1.00 0.00 C ATOM 672 CG ASN A 45 -1.590 10.190 1.138 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.096 9.436 2.108 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -2.293 10.764 0.307 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.720 9.033 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 45 1.666 9.230 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.303 10.366 2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.192 11.250 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.861 11.333 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.308 10.671 0.346 1.00 0.00 H new ATOM 681 N LEU A 46 -0.902 7.233 0.403 1.00 0.00 N ATOM 682 CA LEU A 46 -1.430 5.964 0.893 1.00 0.00 C ATOM 683 C LEU A 46 -0.698 4.787 0.257 1.00 0.00 C ATOM 684 O LEU A 46 -0.986 4.403 -0.878 1.00 0.00 O ATOM 685 CB LEU A 46 -2.929 5.865 0.601 1.00 0.00 C ATOM 686 CG LEU A 46 -3.540 4.467 0.697 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.856 4.120 2.143 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.792 4.374 -0.163 1.00 0.00 C ATOM 0 H LEU A 46 -1.395 7.611 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.273 5.926 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.458 6.519 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.110 6.251 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.812 3.746 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.290 3.121 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.939 4.146 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.566 4.844 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.215 3.372 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.524 5.105 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.535 4.578 -1.203 1.00 0.00 H new ATOM 700 N LEU A 47 0.249 4.217 0.994 1.00 0.00 N ATOM 701 CA LEU A 47 1.022 3.083 0.503 1.00 0.00 C ATOM 702 C LEU A 47 0.897 1.889 1.446 1.00 0.00 C ATOM 703 O LEU A 47 0.946 2.043 2.667 1.00 0.00 O ATOM 704 CB LEU A 47 2.492 3.471 0.346 1.00 0.00 C ATOM 705 CG LEU A 47 3.376 3.270 1.578 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.802 1.815 1.697 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.593 4.181 1.515 1.00 0.00 C ATOM 0 H LEU A 47 0.500 4.522 1.934 1.00 0.00 H new ATOM 0 HA LEU A 47 0.623 2.798 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.913 2.893 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.541 4.521 0.056 1.00 0.00 H new ATOM 0 HG LEU A 47 2.797 3.531 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.430 1.691 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.918 1.184 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.363 1.526 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.211 4.025 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.174 3.951 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.268 5.221 1.479 1.00 0.00 H new ATOM 719 N LEU A 48 0.739 0.702 0.872 1.00 0.00 N ATOM 720 CA LEU A 48 0.610 -0.518 1.661 1.00 0.00 C ATOM 721 C LEU A 48 1.941 -1.258 1.740 1.00 0.00 C ATOM 722 O LEU A 48 2.496 -1.669 0.720 1.00 0.00 O ATOM 723 CB LEU A 48 -0.459 -1.429 1.056 1.00 0.00 C ATOM 724 CG LEU A 48 -1.898 -0.918 1.130 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.185 0.035 -0.020 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.878 -2.081 1.121 1.00 0.00 C ATOM 0 H LEU A 48 0.697 0.558 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 48 0.311 -0.239 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.210 -1.602 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.412 -2.395 1.559 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.023 -0.373 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.214 0.389 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.505 0.885 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.043 -0.485 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.897 -1.698 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.753 -2.655 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.687 -2.725 1.980 1.00 0.00 H new ATOM 738 N ARG A 49 2.447 -1.428 2.956 1.00 0.00 N ATOM 739 CA ARG A 49 3.713 -2.121 3.169 1.00 0.00 C ATOM 740 C ARG A 49 3.501 -3.412 3.952 1.00 0.00 C ATOM 741 O ARG A 49 2.619 -3.513 4.805 1.00 0.00 O ATOM 742 CB ARG A 49 4.696 -1.216 3.913 1.00 0.00 C ATOM 743 CG ARG A 49 4.299 -0.940 5.354 1.00 0.00 C ATOM 744 CD ARG A 49 5.443 -0.318 6.139 1.00 0.00 C ATOM 745 NE ARG A 49 5.160 -0.263 7.570 1.00 0.00 N ATOM 746 CZ ARG A 49 5.088 -1.338 8.347 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.278 -2.546 7.833 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.826 -1.207 9.641 1.00 0.00 N ATOM 0 H ARG A 49 2.000 -1.095 3.810 1.00 0.00 H new ATOM 0 HA ARG A 49 4.129 -2.372 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.683 -1.677 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.779 -0.269 3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.438 -0.272 5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.992 -1.870 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.353 -0.895 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.631 0.689 5.768 1.00 0.00 H new ATOM 0 HE ARG A 49 5.009 0.651 7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.480 -2.651 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.222 -3.370 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.680 -0.280 10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.771 -2.033 10.236 1.00 0.00 H new ATOM 762 N PRO A 50 4.327 -4.426 3.657 1.00 0.00 N ATOM 763 CA PRO A 50 4.251 -5.731 4.322 1.00 0.00 C ATOM 764 C PRO A 50 4.694 -5.664 5.780 1.00 0.00 C ATOM 765 O PRO A 50 5.668 -4.989 6.112 1.00 0.00 O ATOM 766 CB PRO A 50 5.212 -6.601 3.509 1.00 0.00 C ATOM 767 CG PRO A 50 6.179 -5.639 2.909 1.00 0.00 C ATOM 768 CD PRO A 50 5.401 -4.378 2.650 1.00 0.00 C ATOM 0 HA PRO A 50 3.231 -6.115 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.719 -7.329 4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.683 -7.162 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.013 -5.451 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.601 -6.034 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.023 -3.491 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.001 -4.354 1.636 1.00 0.00 H new ATOM 776 N SER A 51 3.974 -6.371 6.645 1.00 0.00 N ATOM 777 CA SER A 51 4.292 -6.389 8.068 1.00 0.00 C ATOM 778 C SER A 51 4.311 -7.818 8.602 1.00 0.00 C ATOM 779 O SER A 51 3.295 -8.335 9.064 1.00 0.00 O ATOM 780 CB SER A 51 3.276 -5.555 8.850 1.00 0.00 C ATOM 781 OG SER A 51 1.956 -6.018 8.628 1.00 0.00 O ATOM 0 H SER A 51 3.167 -6.938 6.386 1.00 0.00 H new ATOM 0 HA SER A 51 5.284 -5.957 8.199 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.506 -5.600 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.353 -4.509 8.552 1.00 0.00 H new ATOM 0 HG SER A 51 1.933 -6.994 8.712 1.00 0.00 H new ATOM 787 N GLY A 52 5.478 -8.454 8.533 1.00 0.00 N ATOM 788 CA GLY A 52 5.609 -9.817 9.012 1.00 0.00 C ATOM 789 C GLY A 52 6.110 -10.763 7.939 1.00 0.00 C ATOM 790 O GLY A 52 7.306 -11.046 7.861 1.00 0.00 O ATOM 0 H GLY A 52 6.334 -8.049 8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.295 -9.837 9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.643 -10.165 9.377 1.00 0.00 H new ATOM 794 N ASP A 53 5.195 -11.254 7.110 1.00 0.00 N ATOM 795 CA ASP A 53 5.551 -12.174 6.037 1.00 0.00 C ATOM 796 C ASP A 53 5.586 -11.454 4.692 1.00 0.00 C ATOM 797 O ASP A 53 6.640 -11.335 4.067 1.00 0.00 O ATOM 798 CB ASP A 53 4.557 -13.336 5.981 1.00 0.00 C ATOM 799 CG ASP A 53 4.620 -14.211 7.217 1.00 0.00 C ATOM 800 OD1 ASP A 53 5.547 -15.042 7.308 1.00 0.00 O ATOM 801 OD2 ASP A 53 3.741 -14.065 8.093 1.00 0.00 O ATOM 0 H ASP A 53 4.201 -11.030 7.161 1.00 0.00 H new ATOM 0 HA ASP A 53 6.546 -12.567 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.547 -12.941 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.761 -13.943 5.099 1.00 0.00 H new ATOM 806 N GLY A 54 4.427 -10.973 4.253 1.00 0.00 N ATOM 807 CA GLY A 54 4.346 -10.272 2.986 1.00 0.00 C ATOM 808 C GLY A 54 2.920 -9.938 2.597 1.00 0.00 C ATOM 809 O GLY A 54 2.581 -8.772 2.398 1.00 0.00 O ATOM 0 H GLY A 54 3.542 -11.057 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.928 -9.352 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.798 -10.885 2.206 1.00 0.00 H new ATOM 813 N ALA A 55 2.082 -10.963 2.487 1.00 0.00 N ATOM 814 CA ALA A 55 0.685 -10.773 2.120 1.00 0.00 C ATOM 815 C ALA A 55 -0.223 -10.879 3.340 1.00 0.00 C ATOM 816 O ALA A 55 -1.099 -10.040 3.550 1.00 0.00 O ATOM 817 CB ALA A 55 0.273 -11.788 1.064 1.00 0.00 C ATOM 0 H ALA A 55 2.347 -11.935 2.647 1.00 0.00 H new ATOM 0 HA ALA A 55 0.578 -9.770 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.773 -11.634 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.894 -11.662 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.403 -12.796 1.458 1.00 0.00 H new ATOM 823 N ASP A 56 -0.009 -11.916 4.143 1.00 0.00 N ATOM 824 CA ASP A 56 -0.808 -12.133 5.343 1.00 0.00 C ATOM 825 C ASP A 56 -0.793 -10.895 6.235 1.00 0.00 C ATOM 826 O ASP A 56 0.108 -10.718 7.054 1.00 0.00 O ATOM 827 CB ASP A 56 -0.284 -13.342 6.120 1.00 0.00 C ATOM 828 CG ASP A 56 -0.048 -14.544 5.226 1.00 0.00 C ATOM 829 OD1 ASP A 56 -0.730 -14.654 4.187 1.00 0.00 O ATOM 830 OD2 ASP A 56 0.819 -15.377 5.569 1.00 0.00 O ATOM 0 H ASP A 56 0.712 -12.620 3.984 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.836 -12.327 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.648 -13.074 6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.998 -13.607 6.900 1.00 0.00 H new ATOM 835 N GLY A 57 -1.799 -10.041 6.070 1.00 0.00 N ATOM 836 CA GLY A 57 -1.882 -8.830 6.867 1.00 0.00 C ATOM 837 C GLY A 57 -0.774 -7.847 6.545 1.00 0.00 C ATOM 838 O GLY A 57 0.408 -8.167 6.683 1.00 0.00 O ATOM 0 H GLY A 57 -2.557 -10.166 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.847 -8.353 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.836 -9.091 7.924 1.00 0.00 H new ATOM 842 N VAL A 58 -1.153 -6.649 6.115 1.00 0.00 N ATOM 843 CA VAL A 58 -0.182 -5.617 5.772 1.00 0.00 C ATOM 844 C VAL A 58 -0.456 -4.329 6.541 1.00 0.00 C ATOM 845 O VAL A 58 -1.549 -4.129 7.069 1.00 0.00 O ATOM 846 CB VAL A 58 -0.194 -5.313 4.262 1.00 0.00 C ATOM 847 CG1 VAL A 58 0.121 -6.568 3.464 1.00 0.00 C ATOM 848 CG2 VAL A 58 -1.536 -4.729 3.848 1.00 0.00 C ATOM 0 H VAL A 58 -2.126 -6.368 5.996 1.00 0.00 H new ATOM 0 HA VAL A 58 0.800 -6.001 6.049 1.00 0.00 H new ATOM 0 HB VAL A 58 0.578 -4.574 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.108 -6.335 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.108 -6.938 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.627 -7.332 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.527 -4.520 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.328 -5.443 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.715 -3.805 4.397 1.00 0.00 H new ATOM 858 N SER A 59 0.546 -3.456 6.599 1.00 0.00 N ATOM 859 CA SER A 59 0.415 -2.188 7.306 1.00 0.00 C ATOM 860 C SER A 59 0.223 -1.037 6.324 1.00 0.00 C ATOM 861 O SER A 59 1.031 -0.837 5.418 1.00 0.00 O ATOM 862 CB SER A 59 1.649 -1.933 8.174 1.00 0.00 C ATOM 863 OG SER A 59 1.374 -0.979 9.184 1.00 0.00 O ATOM 0 H SER A 59 1.457 -3.604 6.165 1.00 0.00 H new ATOM 0 HA SER A 59 -0.465 -2.247 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.975 -2.867 8.631 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.470 -1.580 7.550 1.00 0.00 H new ATOM 0 HG SER A 59 0.502 -0.565 9.015 1.00 0.00 H new ATOM 869 N VAL A 60 -0.854 -0.280 6.512 1.00 0.00 N ATOM 870 CA VAL A 60 -1.152 0.853 5.644 1.00 0.00 C ATOM 871 C VAL A 60 -0.518 2.134 6.174 1.00 0.00 C ATOM 872 O VAL A 60 -0.943 2.674 7.196 1.00 0.00 O ATOM 873 CB VAL A 60 -2.672 1.067 5.503 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.963 2.275 4.627 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.335 -0.182 4.941 1.00 0.00 C ATOM 0 H VAL A 60 -1.534 -0.431 7.257 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.732 0.621 4.665 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.088 1.258 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.041 2.410 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.521 3.165 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.535 2.118 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.408 -0.014 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.916 -0.406 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.156 -1.022 5.612 1.00 0.00 H new ATOM 885 N THR A 61 0.502 2.617 5.472 1.00 0.00 N ATOM 886 CA THR A 61 1.197 3.834 5.871 1.00 0.00 C ATOM 887 C THR A 61 0.719 5.031 5.057 1.00 0.00 C ATOM 888 O THR A 61 0.975 5.122 3.857 1.00 0.00 O ATOM 889 CB THR A 61 2.722 3.690 5.706 1.00 0.00 C ATOM 890 OG1 THR A 61 3.165 2.464 6.297 1.00 0.00 O ATOM 891 CG2 THR A 61 3.448 4.861 6.351 1.00 0.00 C ATOM 0 H THR A 61 0.865 2.183 4.623 1.00 0.00 H new ATOM 0 HA THR A 61 0.968 3.999 6.924 1.00 0.00 H new ATOM 0 HB THR A 61 2.951 3.683 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.135 2.379 6.186 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.523 4.738 6.222 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.130 5.791 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.212 4.894 7.415 1.00 0.00 H new ATOM 899 N THR A 62 0.025 5.952 5.720 1.00 0.00 N ATOM 900 CA THR A 62 -0.489 7.144 5.058 1.00 0.00 C ATOM 901 C THR A 62 0.188 8.402 5.588 1.00 0.00 C ATOM 902 O THR A 62 0.609 8.452 6.744 1.00 0.00 O ATOM 903 CB THR A 62 -2.012 7.278 5.243 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.330 7.359 6.638 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.739 6.097 4.620 1.00 0.00 C ATOM 0 H THR A 62 -0.194 5.894 6.715 1.00 0.00 H new ATOM 0 HA THR A 62 -0.268 7.035 3.996 1.00 0.00 H new ATOM 0 HB THR A 62 -2.338 8.190 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.300 7.446 6.748 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.813 6.214 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.518 6.055 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.408 5.174 5.096 1.00 0.00 H new ATOM 913 N ARG A 63 0.292 9.417 4.737 1.00 0.00 N ATOM 914 CA ARG A 63 0.919 10.676 5.120 1.00 0.00 C ATOM 915 C ARG A 63 -0.077 11.829 5.034 1.00 0.00 C ATOM 916 O ARG A 63 -0.148 12.526 4.022 1.00 0.00 O ATOM 917 CB ARG A 63 2.126 10.963 4.225 1.00 0.00 C ATOM 918 CG ARG A 63 3.168 11.858 4.875 1.00 0.00 C ATOM 919 CD ARG A 63 4.259 12.249 3.890 1.00 0.00 C ATOM 920 NE ARG A 63 4.878 13.525 4.237 1.00 0.00 N ATOM 921 CZ ARG A 63 4.305 14.703 4.019 1.00 0.00 C ATOM 922 NH1 ARG A 63 3.105 14.767 3.458 1.00 0.00 N ATOM 923 NH2 ARG A 63 4.931 15.821 4.363 1.00 0.00 N ATOM 0 H ARG A 63 -0.050 9.392 3.776 1.00 0.00 H new ATOM 0 HA ARG A 63 1.255 10.585 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.594 10.019 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.781 11.432 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.687 12.756 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.612 11.342 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.022 11.471 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.836 12.312 2.887 1.00 0.00 H new ATOM 0 HE ARG A 63 5.801 13.511 4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.620 13.910 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.667 15.673 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.854 15.776 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.490 16.725 4.195 1.00 0.00 H new ATOM 937 N GLN A 64 -0.845 12.022 6.102 1.00 0.00 N ATOM 938 CA GLN A 64 -1.837 13.089 6.146 1.00 0.00 C ATOM 939 C GLN A 64 -1.295 14.307 6.885 1.00 0.00 C ATOM 940 O GLN A 64 -0.308 14.214 7.615 1.00 0.00 O ATOM 941 CB GLN A 64 -3.117 12.595 6.823 1.00 0.00 C ATOM 942 CG GLN A 64 -4.119 11.983 5.856 1.00 0.00 C ATOM 943 CD GLN A 64 -5.075 13.009 5.280 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.703 14.158 5.043 1.00 0.00 O ATOM 945 NE2 GLN A 64 -6.317 12.597 5.049 1.00 0.00 N ATOM 0 H GLN A 64 -0.799 11.453 6.948 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.065 13.381 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.856 11.855 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.589 13.429 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.582 11.495 5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.689 11.209 6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.583 11.635 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.004 13.243 4.660 1.00 0.00 H new ATOM 954 N MET A 65 -1.946 15.449 6.692 1.00 0.00 N ATOM 955 CA MET A 65 -1.528 16.686 7.342 1.00 0.00 C ATOM 956 C MET A 65 -2.501 17.072 8.451 1.00 0.00 C ATOM 957 O MET A 65 -3.709 17.153 8.232 1.00 0.00 O ATOM 958 CB MET A 65 -1.431 17.819 6.317 1.00 0.00 C ATOM 959 CG MET A 65 -0.383 18.862 6.663 1.00 0.00 C ATOM 960 SD MET A 65 -0.810 20.504 6.052 1.00 0.00 S ATOM 961 CE MET A 65 0.159 21.536 7.149 1.00 0.00 C ATOM 0 H MET A 65 -2.765 15.544 6.091 1.00 0.00 H new ATOM 0 HA MET A 65 -0.546 16.521 7.784 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.201 17.395 5.340 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.403 18.306 6.233 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.259 18.902 7.745 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.577 18.560 6.243 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.447 22.377 7.487 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.480 20.950 8.010 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.034 21.910 6.618 1.00 0.00 H new ATOM 971 N HIS A 66 -1.965 17.309 9.646 1.00 0.00 N ATOM 972 CA HIS A 66 -2.786 17.687 10.790 1.00 0.00 C ATOM 973 C HIS A 66 -2.002 18.576 11.752 1.00 0.00 C ATOM 974 O HIS A 66 -0.776 18.506 11.816 1.00 0.00 O ATOM 975 CB HIS A 66 -3.285 16.440 11.521 1.00 0.00 C ATOM 976 CG HIS A 66 -4.481 16.691 12.387 1.00 0.00 C ATOM 977 ND1 HIS A 66 -4.515 16.381 13.730 1.00 0.00 N ATOM 978 CD2 HIS A 66 -5.689 17.228 12.095 1.00 0.00 C ATOM 979 CE1 HIS A 66 -5.694 16.715 14.226 1.00 0.00 C ATOM 980 NE2 HIS A 66 -6.424 17.231 13.254 1.00 0.00 N ATOM 0 H HIS A 66 -0.967 17.246 9.846 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.643 18.250 10.420 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.533 15.673 10.787 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.478 16.043 12.137 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.014 17.587 11.130 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.007 16.588 15.252 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.379 17.576 13.349 1.00 0.00 H new ATOM 989 N ASN A 67 -2.719 19.410 12.497 1.00 0.00 N ATOM 990 CA ASN A 67 -2.091 20.313 13.454 1.00 0.00 C ATOM 991 C ASN A 67 -0.961 21.101 12.797 1.00 0.00 C ATOM 992 O ASN A 67 -0.025 21.538 13.465 1.00 0.00 O ATOM 993 CB ASN A 67 -1.549 19.525 14.649 1.00 0.00 C ATOM 994 CG ASN A 67 -1.270 20.413 15.848 1.00 0.00 C ATOM 995 OD1 ASN A 67 -1.951 21.415 16.063 1.00 0.00 O ATOM 996 ND2 ASN A 67 -0.265 20.046 16.634 1.00 0.00 N ATOM 0 H ASN A 67 -3.736 19.479 12.456 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.847 21.017 13.803 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.268 18.755 14.930 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.632 19.013 14.358 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.030 20.603 17.456 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.272 19.207 16.416 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.058 21.280 11.483 1.00 0.00 N ATOM 1004 CA GLY A 68 -0.039 22.016 10.758 1.00 0.00 C ATOM 1005 C GLY A 68 1.333 21.389 10.890 1.00 0.00 C ATOM 1006 O GLY A 68 2.350 22.083 10.847 1.00 0.00 O ATOM 0 H GLY A 68 -1.824 20.929 10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.312 22.066 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.004 23.041 11.127 1.00 0.00 H new ATOM 1010 N THR A 69 1.366 20.069 11.052 1.00 0.00 N ATOM 1011 CA THR A 69 2.625 19.348 11.193 1.00 0.00 C ATOM 1012 C THR A 69 2.586 18.022 10.442 1.00 0.00 C ATOM 1013 O THR A 69 1.517 17.453 10.222 1.00 0.00 O ATOM 1014 CB THR A 69 2.954 19.076 12.674 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.335 18.728 12.813 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.085 17.956 13.224 1.00 0.00 C ATOM 0 H THR A 69 0.535 19.478 11.089 1.00 0.00 H new ATOM 0 HA THR A 69 3.402 19.982 10.766 1.00 0.00 H new ATOM 0 HB THR A 69 2.750 19.984 13.242 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.536 18.558 13.757 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.335 17.782 14.271 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.035 18.237 13.144 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.261 17.045 12.652 1.00 0.00 H new ATOM 1024 N HIS A 70 3.759 17.534 10.051 1.00 0.00 N ATOM 1025 CA HIS A 70 3.859 16.274 9.325 1.00 0.00 C ATOM 1026 C HIS A 70 3.690 15.087 10.269 1.00 0.00 C ATOM 1027 O HIS A 70 4.466 14.913 11.209 1.00 0.00 O ATOM 1028 CB HIS A 70 5.204 16.179 8.605 1.00 0.00 C ATOM 1029 CG HIS A 70 6.363 15.957 9.528 1.00 0.00 C ATOM 1030 ND1 HIS A 70 6.786 16.895 10.446 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.188 14.893 9.673 1.00 0.00 C ATOM 1032 CE1 HIS A 70 7.821 16.419 11.113 1.00 0.00 C ATOM 1033 NE2 HIS A 70 8.085 15.206 10.664 1.00 0.00 N ATOM 0 H HIS A 70 4.653 17.992 10.225 1.00 0.00 H new ATOM 0 HA HIS A 70 3.058 16.246 8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.164 15.363 7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.370 17.096 8.040 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.148 13.970 9.113 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.360 16.935 11.894 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.834 14.600 10.999 1.00 0.00 H new ATOM 1042 N VAL A 71 2.671 14.274 10.014 1.00 0.00 N ATOM 1043 CA VAL A 71 2.401 13.104 10.842 1.00 0.00 C ATOM 1044 C VAL A 71 2.254 11.849 9.989 1.00 0.00 C ATOM 1045 O VAL A 71 1.719 11.897 8.881 1.00 0.00 O ATOM 1046 CB VAL A 71 1.122 13.292 11.680 1.00 0.00 C ATOM 1047 CG1 VAL A 71 -0.098 13.406 10.778 1.00 0.00 C ATOM 1048 CG2 VAL A 71 0.959 12.147 12.668 1.00 0.00 C ATOM 0 H VAL A 71 2.018 14.403 9.241 1.00 0.00 H new ATOM 0 HA VAL A 71 3.253 12.988 11.512 1.00 0.00 H new ATOM 0 HB VAL A 71 1.213 14.220 12.245 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.991 13.538 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.018 14.263 10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.197 12.498 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.050 12.296 13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.891 11.205 12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.819 12.118 13.337 1.00 0.00 H new ATOM 1058 N VAL A 72 2.734 10.724 10.512 1.00 0.00 N ATOM 1059 CA VAL A 72 2.656 9.455 9.799 1.00 0.00 C ATOM 1060 C VAL A 72 2.154 8.343 10.712 1.00 0.00 C ATOM 1061 O VAL A 72 2.753 8.058 11.748 1.00 0.00 O ATOM 1062 CB VAL A 72 4.026 9.051 9.221 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.962 7.653 8.627 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.482 10.061 8.180 1.00 0.00 C ATOM 0 H VAL A 72 3.181 10.667 11.427 1.00 0.00 H new ATOM 0 HA VAL A 72 1.951 9.594 8.979 1.00 0.00 H new ATOM 0 HB VAL A 72 4.756 9.043 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.938 7.384 8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.681 6.941 9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.221 7.631 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.451 9.761 7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.754 10.102 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.568 11.045 8.641 1.00 0.00 H new ATOM 1074 N ARG A 73 1.050 7.716 10.319 1.00 0.00 N ATOM 1075 CA ARG A 73 0.466 6.633 11.102 1.00 0.00 C ATOM 1076 C ARG A 73 0.319 5.370 10.259 1.00 0.00 C ATOM 1077 O ARG A 73 0.212 5.437 9.035 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.898 7.053 11.654 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.571 5.981 12.495 1.00 0.00 C ATOM 1080 CD ARG A 73 -0.805 5.721 13.783 1.00 0.00 C ATOM 1081 NE ARG A 73 -1.465 4.725 14.621 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.589 4.955 15.291 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.173 6.143 15.222 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.129 3.997 16.034 1.00 0.00 N ATOM 0 H ARG A 73 0.542 7.939 9.463 1.00 0.00 H new ATOM 0 HA ARG A 73 1.136 6.417 11.934 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.775 7.952 12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.552 7.314 10.822 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.589 6.289 12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.643 5.058 11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.203 5.382 13.543 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.704 6.653 14.339 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.040 3.801 14.697 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.759 6.882 14.654 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.036 6.318 15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.681 3.082 16.091 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.992 4.175 16.548 1.00 0.00 H new ATOM 1098 N HIS A 74 0.315 4.219 10.923 1.00 0.00 N ATOM 1099 CA HIS A 74 0.181 2.939 10.236 1.00 0.00 C ATOM 1100 C HIS A 74 -1.084 2.212 10.682 1.00 0.00 C ATOM 1101 O HIS A 74 -1.660 2.530 11.723 1.00 0.00 O ATOM 1102 CB HIS A 74 1.407 2.065 10.500 1.00 0.00 C ATOM 1103 CG HIS A 74 1.893 2.124 11.915 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.499 1.226 12.885 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.746 2.981 12.523 1.00 0.00 C ATOM 1106 CE1 HIS A 74 2.087 1.529 14.027 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.850 2.590 13.835 1.00 0.00 N ATOM 0 H HIS A 74 0.403 4.146 11.937 1.00 0.00 H new ATOM 0 HA HIS A 74 0.107 3.134 9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.166 1.032 10.250 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.213 2.374 9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.251 3.817 12.062 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.965 0.999 14.960 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.423 3.045 14.546 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.510 1.236 9.888 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.707 0.466 10.200 1.00 0.00 C ATOM 1118 C TYR A 75 -2.484 -1.020 9.938 1.00 0.00 C ATOM 1119 O TYR A 75 -2.398 -1.454 8.788 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.892 0.968 9.372 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.099 2.464 9.458 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.132 3.111 10.687 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -4.263 3.230 8.310 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.322 4.478 10.770 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.450 4.596 8.383 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.480 5.215 9.616 1.00 0.00 C ATOM 1127 OH TYR A 75 -4.669 6.576 9.692 1.00 0.00 O ATOM 0 H TYR A 75 -1.044 0.960 9.024 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.928 0.600 11.259 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.740 0.690 8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.799 0.464 9.707 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.007 2.536 11.593 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.244 2.748 7.344 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.346 4.965 11.733 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.572 5.177 7.481 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.762 6.944 8.789 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.391 -1.797 11.011 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.179 -3.235 10.901 1.00 0.00 C ATOM 1139 C LYS A 76 -3.507 -3.971 10.759 1.00 0.00 C ATOM 1140 O LYS A 76 -4.371 -3.888 11.632 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.423 -3.756 12.126 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.633 -5.025 11.858 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.535 -5.893 13.101 1.00 0.00 C ATOM 1144 CE LYS A 76 0.627 -5.470 13.987 1.00 0.00 C ATOM 1145 NZ LYS A 76 1.896 -6.145 13.597 1.00 0.00 N ATOM 0 H LYS A 76 -2.459 -1.454 11.969 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.583 -3.422 10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.742 -2.982 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.135 -3.944 12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.109 -5.589 11.056 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.368 -4.766 11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.466 -5.829 13.665 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.410 -6.936 12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.756 -4.389 13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.395 -5.704 15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.664 -5.830 14.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.781 -7.175 13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.131 -5.901 12.614 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.663 -4.693 9.654 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.885 -5.446 9.398 1.00 0.00 C ATOM 1161 C VAL A 77 -4.784 -6.861 9.955 1.00 0.00 C ATOM 1162 O VAL A 77 -3.786 -7.552 9.748 1.00 0.00 O ATOM 1163 CB VAL A 77 -5.196 -5.519 7.892 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -4.205 -6.432 7.186 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -6.624 -5.990 7.665 1.00 0.00 C ATOM 0 H VAL A 77 -2.958 -4.772 8.921 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.694 -4.917 9.902 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.097 -4.519 7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.440 -6.471 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.195 -6.045 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.269 -7.435 7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.826 -6.036 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.754 -6.980 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.316 -5.292 8.136 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.824 -7.290 10.662 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.856 -8.624 11.247 1.00 0.00 C ATOM 1177 C LYS A 78 -5.892 -9.695 10.161 1.00 0.00 C ATOM 1178 O LYS A 78 -6.119 -9.395 8.988 1.00 0.00 O ATOM 1179 CB LYS A 78 -7.072 -8.774 12.164 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.801 -8.368 13.603 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.324 -9.548 14.434 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.491 -10.376 14.948 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.172 -9.722 16.099 1.00 0.00 N ATOM 0 H LYS A 78 -6.658 -6.731 10.844 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.947 -8.756 11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.889 -8.169 11.772 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.406 -9.811 12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.049 -7.579 13.624 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.709 -7.955 14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.668 -10.177 13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.734 -9.186 15.276 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.209 -10.531 14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.133 -11.360 15.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.883 -10.369 16.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.471 -9.489 16.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.639 -8.850 15.777 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.666 -10.943 10.558 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.673 -12.057 9.618 1.00 0.00 C ATOM 1199 C ARG A 79 -6.617 -13.160 10.088 1.00 0.00 C ATOM 1200 O ARG A 79 -6.205 -14.088 10.782 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.260 -12.618 9.449 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.002 -13.215 8.075 1.00 0.00 C ATOM 1203 CD ARG A 79 -4.689 -14.563 7.915 1.00 0.00 C ATOM 1204 NE ARG A 79 -3.938 -15.638 8.555 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.435 -16.849 8.780 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -5.678 -17.137 8.417 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -3.690 -17.776 9.367 1.00 0.00 N ATOM 0 H ARG A 79 -5.476 -11.208 11.524 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.027 -11.686 8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.538 -11.822 9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.089 -13.383 10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.359 -12.530 7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.929 -13.332 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.689 -14.514 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.809 -14.786 6.855 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.979 -15.449 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.254 -16.428 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.057 -18.068 8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.733 -17.560 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.074 -18.705 9.539 1.00 0.00 H new ATOM 1221 N GLU A 80 -7.886 -13.049 9.706 1.00 0.00 N ATOM 1222 CA GLU A 80 -8.887 -14.036 10.090 1.00 0.00 C ATOM 1223 C GLU A 80 -9.474 -14.723 8.860 1.00 0.00 C ATOM 1224 O GLU A 80 -10.453 -14.254 8.281 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.005 -13.374 10.899 1.00 0.00 C ATOM 1226 CG GLU A 80 -10.662 -14.303 11.905 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.151 -15.592 11.275 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -11.734 -15.530 10.173 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -10.950 -16.665 11.883 1.00 0.00 O ATOM 0 H GLU A 80 -8.244 -12.286 9.132 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.398 -14.789 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.598 -12.511 11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.765 -12.999 10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.950 -14.537 12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.502 -13.790 12.373 1.00 0.00 H new ATOM 1236 N GLY A 81 -8.867 -15.839 8.466 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.342 -16.573 7.308 1.00 0.00 C ATOM 1238 C GLY A 81 -8.945 -15.914 6.001 1.00 0.00 C ATOM 1239 O GLY A 81 -7.974 -15.159 5.932 1.00 0.00 O ATOM 0 H GLY A 81 -8.055 -16.247 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.943 -17.587 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.428 -16.656 7.354 1.00 0.00 H new ATOM 1243 N PRO A 82 -9.707 -16.199 4.935 1.00 0.00 N ATOM 1244 CA PRO A 82 -9.448 -15.640 3.605 1.00 0.00 C ATOM 1245 C PRO A 82 -9.742 -14.144 3.537 1.00 0.00 C ATOM 1246 O PRO A 82 -9.595 -13.518 2.488 1.00 0.00 O ATOM 1247 CB PRO A 82 -10.409 -16.415 2.701 1.00 0.00 C ATOM 1248 CG PRO A 82 -11.513 -16.847 3.603 1.00 0.00 C ATOM 1249 CD PRO A 82 -10.879 -17.089 4.945 1.00 0.00 C ATOM 0 HA PRO A 82 -8.401 -15.737 3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.782 -15.789 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.916 -17.271 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.286 -16.081 3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.992 -17.752 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.560 -16.847 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -10.590 -18.132 5.070 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.159 -13.577 4.665 1.00 0.00 N ATOM 1258 CA LYS A 83 -10.473 -12.155 4.735 1.00 0.00 C ATOM 1259 C LYS A 83 -9.690 -11.480 5.857 1.00 0.00 C ATOM 1260 O LYS A 83 -9.387 -12.101 6.876 1.00 0.00 O ATOM 1261 CB LYS A 83 -11.974 -11.952 4.953 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.511 -12.661 6.185 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.406 -11.784 7.422 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.264 -12.320 8.558 1.00 0.00 C ATOM 1265 NZ LYS A 83 -13.717 -11.233 9.471 1.00 0.00 N ATOM 0 H LYS A 83 -10.287 -14.081 5.543 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.185 -11.698 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.179 -10.885 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.512 -12.310 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.552 -12.938 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.956 -13.586 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.366 -11.730 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.717 -10.768 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.132 -12.834 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.696 -13.058 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.660 -11.464 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.045 -11.139 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.763 -10.336 8.947 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.367 -10.206 5.663 1.00 0.00 N ATOM 1280 CA TYR A 84 -8.619 -9.448 6.659 1.00 0.00 C ATOM 1281 C TYR A 84 -9.542 -8.519 7.443 1.00 0.00 C ATOM 1282 O TYR A 84 -10.625 -8.164 6.978 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.511 -8.635 5.986 1.00 0.00 C ATOM 1284 CG TYR A 84 -6.921 -9.310 4.768 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.204 -10.494 4.885 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.078 -8.761 3.501 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -5.663 -11.113 3.776 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.541 -9.374 2.386 1.00 0.00 C ATOM 1289 CZ TYR A 84 -5.834 -10.550 2.528 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.296 -11.163 1.420 1.00 0.00 O ATOM 0 H TYR A 84 -9.611 -9.677 4.826 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.169 -10.156 7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.910 -7.663 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.717 -8.450 6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.067 -10.938 5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.629 -7.839 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.109 -12.033 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.674 -8.935 1.408 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.509 -10.638 0.620 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.104 -8.129 8.636 1.00 0.00 N ATOM 1301 CA VAL A 85 -9.888 -7.241 9.485 1.00 0.00 C ATOM 1302 C VAL A 85 -9.054 -6.054 9.956 1.00 0.00 C ATOM 1303 O VAL A 85 -8.392 -6.120 10.992 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.443 -7.984 10.714 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -10.805 -7.000 11.816 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.647 -8.830 10.327 1.00 0.00 C ATOM 0 H VAL A 85 -8.210 -8.414 9.036 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.721 -6.880 8.882 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.668 -8.649 11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.195 -7.544 12.676 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.916 -6.442 12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.563 -6.307 11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.026 -9.348 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.428 -8.187 9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.351 -9.562 9.575 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.093 -4.970 9.190 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.342 -3.767 9.530 1.00 0.00 C ATOM 1318 C ILE A 86 -8.438 -3.463 11.021 1.00 0.00 C ATOM 1319 O ILE A 86 -9.417 -3.820 11.676 1.00 0.00 O ATOM 1320 CB ILE A 86 -8.845 -2.547 8.736 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.051 -2.917 7.266 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -7.863 -1.392 8.864 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -9.101 -1.720 6.343 1.00 0.00 C ATOM 0 H ILE A 86 -9.636 -4.899 8.330 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.302 -3.959 9.266 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.803 -2.232 9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.243 -3.576 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.979 -3.480 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.232 -0.537 8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.761 -1.116 9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.892 -1.695 8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.249 -2.057 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.926 -1.070 6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.163 -1.168 6.412 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.416 -2.801 11.551 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.385 -2.446 12.964 1.00 0.00 C ATOM 1337 C ASP A 87 -7.809 -0.995 13.171 1.00 0.00 C ATOM 1338 O ASP A 87 -6.975 -0.120 13.404 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.983 -2.665 13.537 1.00 0.00 C ATOM 1340 CG ASP A 87 -4.948 -1.760 12.900 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.243 -1.182 11.832 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -3.844 -1.627 13.468 1.00 0.00 O ATOM 0 H ASP A 87 -6.597 -2.499 11.023 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.090 -3.091 13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.002 -2.489 14.613 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.692 -3.705 13.389 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.112 -0.747 13.080 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.648 0.597 13.256 1.00 0.00 C ATOM 1349 C VAL A 88 -10.904 0.580 14.119 1.00 0.00 C ATOM 1350 O VAL A 88 -11.316 -0.470 14.610 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.978 1.252 11.901 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -8.704 1.678 11.189 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.791 0.302 11.035 1.00 0.00 C ATOM 0 H VAL A 88 -9.815 -1.460 12.885 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.876 1.182 13.756 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.578 2.144 12.084 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.957 2.138 10.234 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.165 2.396 11.807 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.075 0.805 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.015 0.781 10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.219 -0.609 10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.722 0.053 11.544 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.508 1.750 14.299 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.719 1.869 15.104 1.00 0.00 C ATOM 1365 C GLU A 89 -13.592 0.626 14.959 1.00 0.00 C ATOM 1366 O GLU A 89 -13.881 -0.060 15.940 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.511 3.112 14.694 1.00 0.00 C ATOM 1368 CG GLU A 89 -14.980 3.051 15.078 1.00 0.00 C ATOM 1369 CD GLU A 89 -15.190 2.982 16.577 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.998 1.891 17.154 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -15.545 4.020 17.174 1.00 0.00 O ATOM 0 H GLU A 89 -11.179 2.629 13.899 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.422 1.965 16.148 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.059 3.989 15.157 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.431 3.244 13.615 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.491 3.929 14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.438 2.179 14.611 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.009 0.342 13.729 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.850 -0.816 13.455 1.00 0.00 C ATOM 1380 C GLN A 90 -14.090 -1.863 12.648 1.00 0.00 C ATOM 1381 O GLN A 90 -13.287 -1.542 11.770 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.112 -0.392 12.703 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.273 -0.031 13.617 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.189 1.014 13.011 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.755 0.813 11.936 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.338 2.141 13.699 1.00 0.00 N ATOM 0 H GLN A 90 -13.778 0.899 12.906 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.137 -1.258 14.409 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.878 0.465 12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.420 -1.201 12.041 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.849 -0.929 13.838 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.883 0.339 14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.850 2.265 14.586 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.941 2.882 13.340 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.346 -3.145 12.947 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.696 -4.264 12.259 1.00 0.00 C ATOM 1397 C PRO A 91 -14.163 -4.407 10.814 1.00 0.00 C ATOM 1398 O PRO A 91 -15.122 -5.125 10.529 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.123 -5.482 13.082 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.407 -5.077 13.721 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.292 -3.600 13.980 1.00 0.00 C ATOM 0 HA PRO A 91 -12.616 -4.132 12.196 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.255 -6.360 12.450 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.372 -5.737 13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.253 -5.294 13.069 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.571 -5.625 14.649 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.256 -3.100 13.890 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.920 -3.396 14.984 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.480 -3.718 9.906 1.00 0.00 N ATOM 1410 CA PHE A 92 -13.825 -3.768 8.490 1.00 0.00 C ATOM 1411 C PHE A 92 -13.229 -5.006 7.828 1.00 0.00 C ATOM 1412 O PHE A 92 -12.010 -5.176 7.789 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.331 -2.506 7.779 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.622 -2.497 6.305 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -14.927 -2.430 5.843 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.591 -2.555 5.381 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.198 -2.421 4.488 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.855 -2.545 4.025 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.160 -2.480 3.578 1.00 0.00 C ATOM 0 H PHE A 92 -12.684 -3.118 10.125 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.911 -3.822 8.407 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.796 -1.634 8.239 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.256 -2.411 7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.742 -2.384 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.569 -2.609 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.219 -2.368 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.042 -2.588 3.315 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.369 -2.475 2.518 1.00 0.00 H new ATOM 1429 N SER A 93 -14.097 -5.868 7.309 1.00 0.00 N ATOM 1430 CA SER A 93 -13.657 -7.093 6.653 1.00 0.00 C ATOM 1431 C SER A 93 -13.671 -6.933 5.135 1.00 0.00 C ATOM 1432 O SER A 93 -14.343 -6.049 4.600 1.00 0.00 O ATOM 1433 CB SER A 93 -14.553 -8.265 7.060 1.00 0.00 C ATOM 1434 OG SER A 93 -15.882 -8.073 6.607 1.00 0.00 O ATOM 0 H SER A 93 -15.109 -5.741 7.330 1.00 0.00 H new ATOM 0 HA SER A 93 -12.635 -7.298 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.155 -9.192 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.547 -8.372 8.145 1.00 0.00 H new ATOM 0 HG SER A 93 -16.434 -8.836 6.878 1.00 0.00 H new ATOM 1440 N CYS A 94 -12.926 -7.790 4.448 1.00 0.00 N ATOM 1441 CA CYS A 94 -12.851 -7.744 2.992 1.00 0.00 C ATOM 1442 C CYS A 94 -12.251 -9.031 2.437 1.00 0.00 C ATOM 1443 O CYS A 94 -11.405 -9.661 3.074 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.017 -6.543 2.542 1.00 0.00 C ATOM 1445 SG CYS A 94 -12.979 -5.033 2.285 1.00 0.00 S ATOM 0 H CYS A 94 -12.364 -8.526 4.876 1.00 0.00 H new ATOM 0 HA CYS A 94 -13.864 -7.640 2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -11.247 -6.348 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -11.504 -6.797 1.614 1.00 0.00 H new ATOM 0 HG CYS A 94 -12.953 -4.312 3.367 1.00 0.00 H new ATOM 1451 N THR A 95 -12.695 -9.419 1.246 1.00 0.00 N ATOM 1452 CA THR A 95 -12.204 -10.633 0.605 1.00 0.00 C ATOM 1453 C THR A 95 -10.782 -10.446 0.089 1.00 0.00 C ATOM 1454 O THR A 95 -9.915 -11.292 0.310 1.00 0.00 O ATOM 1455 CB THR A 95 -13.111 -11.058 -0.565 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.226 -9.986 -1.509 1.00 0.00 O ATOM 1457 CG2 THR A 95 -14.494 -11.449 -0.064 1.00 0.00 C ATOM 0 H THR A 95 -13.394 -8.910 0.705 1.00 0.00 H new ATOM 0 HA THR A 95 -12.212 -11.416 1.364 1.00 0.00 H new ATOM 0 HB THR A 95 -12.660 -11.923 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.803 -10.264 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.116 -11.745 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.406 -12.283 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.951 -10.599 0.443 1.00 0.00 H new ATOM 1465 N SER A 96 -10.549 -9.333 -0.600 1.00 0.00 N ATOM 1466 CA SER A 96 -9.232 -9.037 -1.150 1.00 0.00 C ATOM 1467 C SER A 96 -8.731 -7.681 -0.663 1.00 0.00 C ATOM 1468 O SER A 96 -9.512 -6.848 -0.199 1.00 0.00 O ATOM 1469 CB SER A 96 -9.279 -9.058 -2.679 1.00 0.00 C ATOM 1470 OG SER A 96 -9.061 -10.365 -3.179 1.00 0.00 O ATOM 0 H SER A 96 -11.255 -8.622 -0.790 1.00 0.00 H new ATOM 0 HA SER A 96 -8.540 -9.805 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.247 -8.691 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.523 -8.382 -3.078 1.00 0.00 H new ATOM 0 HG SER A 96 -9.098 -10.351 -4.158 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.426 -7.465 -0.773 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.820 -6.209 -0.344 1.00 0.00 C ATOM 1478 C LEU A 97 -7.389 -5.032 -1.131 1.00 0.00 C ATOM 1479 O LEU A 97 -7.718 -3.992 -0.560 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.301 -6.267 -0.519 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.513 -6.865 0.646 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.123 -7.286 0.192 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.423 -5.872 1.795 1.00 0.00 C ATOM 0 H LEU A 97 -6.766 -8.143 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.053 -6.064 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.081 -6.846 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.937 -5.255 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.041 -7.751 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.577 -7.709 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.209 -8.033 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.586 -6.417 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.859 -6.315 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.919 -4.967 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.427 -5.621 2.139 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.506 -5.206 -2.443 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.038 -4.160 -3.308 1.00 0.00 C ATOM 1497 C ASP A 98 -9.171 -3.408 -2.616 1.00 0.00 C ATOM 1498 O ASP A 98 -9.183 -2.178 -2.583 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.537 -4.762 -4.623 1.00 0.00 C ATOM 1500 CG ASP A 98 -7.422 -4.951 -5.632 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -6.762 -6.010 -5.595 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.210 -4.040 -6.459 1.00 0.00 O ATOM 0 H ASP A 98 -7.240 -6.061 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.235 -3.455 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.009 -5.724 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.303 -4.113 -5.049 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.122 -4.156 -2.066 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.258 -3.560 -1.375 1.00 0.00 C ATOM 1509 C ALA A 99 -10.801 -2.726 -0.182 1.00 0.00 C ATOM 1510 O ALA A 99 -11.280 -1.613 0.029 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.229 -4.642 -0.923 1.00 0.00 C ATOM 0 H ALA A 99 -10.128 -5.176 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.768 -2.897 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.073 -4.182 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.590 -5.193 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.720 -5.327 -0.245 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.870 -3.273 0.594 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.347 -2.580 1.764 1.00 0.00 C ATOM 1519 C VAL A 100 -8.874 -1.176 1.406 1.00 0.00 C ATOM 1520 O VAL A 100 -9.119 -0.219 2.142 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.179 -3.356 2.401 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.516 -2.526 3.490 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.663 -4.687 2.955 1.00 0.00 C ATOM 0 H VAL A 100 -9.463 -4.194 0.433 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.164 -2.513 2.483 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.437 -3.558 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.693 -3.091 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.132 -1.601 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.247 -2.290 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.825 -5.222 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.425 -4.510 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.086 -5.285 2.148 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.195 -1.058 0.269 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.688 0.230 -0.189 1.00 0.00 C ATOM 1535 C VAL A 101 -8.825 1.225 -0.397 1.00 0.00 C ATOM 1536 O VAL A 101 -8.722 2.389 -0.011 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.900 0.087 -1.504 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.631 1.453 -2.117 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.599 -0.665 -1.265 1.00 0.00 C ATOM 0 H VAL A 101 -7.983 -1.839 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.020 0.602 0.588 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.502 -0.488 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.073 1.332 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.578 1.951 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.049 2.056 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.054 -0.757 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.990 -0.119 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.819 -1.658 -0.874 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.908 0.758 -1.009 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.065 1.607 -1.268 1.00 0.00 C ATOM 1551 C ASN A 102 -11.657 2.134 0.036 1.00 0.00 C ATOM 1552 O ASN A 102 -11.990 3.314 0.147 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.130 0.831 -2.047 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.791 0.706 -3.520 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.202 1.532 -4.335 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.039 -0.332 -3.868 1.00 0.00 N ATOM 0 H ASN A 102 -10.009 -0.203 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.734 2.456 -1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.239 -0.164 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.092 1.332 -1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.780 -0.469 -4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.721 -0.992 -3.158 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.783 1.251 1.020 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.336 1.626 2.317 1.00 0.00 C ATOM 1565 C TYR A 103 -11.792 2.977 2.771 1.00 0.00 C ATOM 1566 O TYR A 103 -12.552 3.881 3.118 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.012 0.556 3.362 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.119 1.050 4.787 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -13.356 1.332 5.354 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -10.983 1.235 5.565 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -13.457 1.784 6.656 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -11.075 1.685 6.868 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.315 1.959 7.409 1.00 0.00 C ATOM 1574 OH TYR A 103 -12.411 2.408 8.705 1.00 0.00 O ATOM 0 H TYR A 103 -11.510 0.271 0.945 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.418 1.707 2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.688 -0.288 3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.001 0.186 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.253 1.196 4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -10.011 1.023 5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.426 1.999 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -10.182 1.822 7.460 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.262 2.113 9.091 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.469 3.107 2.765 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.821 4.347 3.177 1.00 0.00 C ATOM 1586 C PHE A 104 -10.266 5.511 2.297 1.00 0.00 C ATOM 1587 O PHE A 104 -10.608 6.584 2.793 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.300 4.197 3.112 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.724 3.422 4.263 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.865 3.878 5.563 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.043 2.236 4.043 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.338 3.166 6.624 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.513 1.519 5.100 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.660 1.985 6.392 1.00 0.00 C ATOM 0 H PHE A 104 -9.825 2.369 2.480 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.115 4.558 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.031 3.701 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.846 5.188 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.393 4.801 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.925 1.867 3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.456 3.532 7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.985 0.595 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.246 1.427 7.219 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.259 5.291 0.986 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.662 6.321 0.035 1.00 0.00 C ATOM 1606 C VAL A 105 -11.922 7.039 0.506 1.00 0.00 C ATOM 1607 O VAL A 105 -11.986 8.269 0.500 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.915 5.727 -1.362 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.358 6.811 -2.332 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.669 5.019 -1.874 1.00 0.00 C ATOM 0 H VAL A 105 -9.979 4.409 0.558 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.841 7.035 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.717 4.993 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.532 6.371 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.279 7.268 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.581 7.572 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.866 4.605 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.846 5.731 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.401 4.213 -1.190 1.00 0.00 H new ATOM 1620 N SER A 106 -12.922 6.265 0.913 1.00 0.00 N ATOM 1621 CA SER A 106 -14.182 6.828 1.384 1.00 0.00 C ATOM 1622 C SER A 106 -14.048 7.336 2.816 1.00 0.00 C ATOM 1623 O SER A 106 -14.494 8.437 3.141 1.00 0.00 O ATOM 1624 CB SER A 106 -15.294 5.780 1.304 1.00 0.00 C ATOM 1625 OG SER A 106 -16.449 6.207 2.006 1.00 0.00 O ATOM 0 H SER A 106 -12.885 5.246 0.926 1.00 0.00 H new ATOM 0 HA SER A 106 -14.439 7.670 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.547 5.593 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.940 4.837 1.720 1.00 0.00 H new ATOM 0 HG SER A 106 -17.145 5.521 1.938 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.430 6.525 3.670 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.238 6.892 5.069 1.00 0.00 C ATOM 1633 C HIS A 107 -12.589 8.268 5.185 1.00 0.00 C ATOM 1634 O HIS A 107 -13.213 9.223 5.653 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.373 5.847 5.777 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.243 6.078 7.250 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.323 6.085 8.109 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.152 6.308 8.018 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.901 6.311 9.341 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -11.587 6.449 9.313 1.00 0.00 N ATOM 0 H HIS A 107 -13.054 5.611 3.418 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.217 6.929 5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.801 4.859 5.609 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.380 5.845 5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.129 6.369 7.676 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.524 6.372 10.221 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.993 6.631 10.122 1.00 0.00 H new ATOM 1649 N THR A 108 -11.335 8.365 4.757 1.00 0.00 N ATOM 1650 CA THR A 108 -10.603 9.624 4.814 1.00 0.00 C ATOM 1651 C THR A 108 -11.488 10.795 4.405 1.00 0.00 C ATOM 1652 O THR A 108 -12.070 10.799 3.320 1.00 0.00 O ATOM 1653 CB THR A 108 -9.360 9.594 3.905 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.746 9.300 2.557 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.360 8.554 4.388 1.00 0.00 C ATOM 0 H THR A 108 -10.804 7.586 4.367 1.00 0.00 H new ATOM 0 HA THR A 108 -10.285 9.756 5.848 1.00 0.00 H new ATOM 0 HB THR A 108 -8.887 10.575 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.082 8.381 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.491 8.552 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.046 8.795 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.826 7.569 4.377 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.589 11.789 5.281 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.403 12.968 5.011 1.00 0.00 C ATOM 1665 C LYS A 109 -11.973 13.641 3.711 1.00 0.00 C ATOM 1666 O LYS A 109 -12.804 13.970 2.865 1.00 0.00 O ATOM 1667 CB LYS A 109 -12.299 13.962 6.170 1.00 0.00 C ATOM 1668 CG LYS A 109 -12.976 15.293 5.893 1.00 0.00 C ATOM 1669 CD LYS A 109 -12.083 16.215 5.081 1.00 0.00 C ATOM 1670 CE LYS A 109 -12.455 17.675 5.285 1.00 0.00 C ATOM 1671 NZ LYS A 109 -13.735 18.021 4.607 1.00 0.00 N ATOM 0 H LYS A 109 -11.117 11.801 6.185 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.439 12.646 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.743 13.517 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.247 14.139 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.909 15.123 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.235 15.774 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.043 16.060 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.163 15.962 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.541 17.882 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.657 18.310 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.954 19.025 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.645 17.848 3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.502 17.433 4.992 1.00 0.00 H new ATOM 1685 N LYS A 110 -10.668 13.841 3.558 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.126 14.471 2.360 1.00 0.00 C ATOM 1687 C LYS A 110 -9.674 13.422 1.349 1.00 0.00 C ATOM 1688 O LYS A 110 -9.064 12.417 1.715 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.950 15.381 2.725 1.00 0.00 C ATOM 1690 CG LYS A 110 -8.696 16.483 1.710 1.00 0.00 C ATOM 1691 CD LYS A 110 -7.782 16.010 0.593 1.00 0.00 C ATOM 1692 CE LYS A 110 -6.325 15.999 1.031 1.00 0.00 C ATOM 1693 NZ LYS A 110 -5.464 15.250 0.075 1.00 0.00 N ATOM 0 H LYS A 110 -9.966 13.576 4.249 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.916 15.070 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.139 15.832 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.049 14.775 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.644 16.817 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.248 17.343 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.076 15.008 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.898 16.661 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.964 17.024 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.247 15.548 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.619 14.899 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.996 14.446 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.174 15.881 -0.699 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.977 13.662 0.078 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.599 12.739 -0.985 1.00 0.00 C ATOM 1709 C ALA A 111 -8.163 12.256 -0.808 1.00 0.00 C ATOM 1710 O ALA A 111 -7.226 13.056 -0.799 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.772 13.401 -2.344 1.00 0.00 C ATOM 0 H ALA A 111 -10.483 14.488 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.256 11.871 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.486 12.701 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.814 13.690 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.140 14.287 -2.400 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.997 10.946 -0.667 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.675 10.357 -0.489 1.00 0.00 C ATOM 1719 C LEU A 112 -6.221 9.645 -1.760 1.00 0.00 C ATOM 1720 O LEU A 112 -7.001 8.942 -2.403 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.686 9.374 0.682 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.361 9.199 1.424 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.139 10.345 2.399 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.330 7.862 2.153 1.00 0.00 C ATOM 0 H LEU A 112 -8.762 10.271 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.972 11.162 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.440 9.701 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.002 8.400 0.309 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.553 9.210 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.191 10.203 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.116 11.288 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.951 10.366 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.380 7.754 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.147 7.821 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.441 7.052 1.432 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.954 9.832 -2.116 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.394 9.205 -3.308 1.00 0.00 C ATOM 1738 C VAL A 113 -3.440 8.076 -2.938 1.00 0.00 C ATOM 1739 O VAL A 113 -2.563 8.224 -2.085 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.647 10.229 -4.181 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.951 9.535 -5.342 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.603 11.300 -4.684 1.00 0.00 C ATOM 0 H VAL A 113 -4.296 10.413 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.231 8.797 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.885 10.713 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.428 10.275 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.234 8.810 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.691 9.021 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.057 12.015 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.389 10.835 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.049 11.818 -3.835 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.610 6.918 -3.593 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.772 5.740 -3.352 1.00 0.00 C ATOM 1754 C PRO A 114 -1.346 5.929 -3.857 1.00 0.00 C ATOM 1755 O PRO A 114 -1.079 6.809 -4.676 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.478 4.634 -4.141 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.221 5.352 -5.214 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.635 6.671 -4.623 1.00 0.00 C ATOM 0 HA PRO A 114 -2.669 5.524 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.762 3.927 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.154 4.063 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.592 5.499 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.091 4.779 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.650 7.461 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.635 6.622 -4.192 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.434 5.097 -3.366 1.00 0.00 N ATOM 1767 CA PHE A 115 0.966 5.174 -3.769 1.00 0.00 C ATOM 1768 C PHE A 115 1.353 3.968 -4.621 1.00 0.00 C ATOM 1769 O PHE A 115 1.184 2.821 -4.205 1.00 0.00 O ATOM 1770 CB PHE A 115 1.869 5.254 -2.537 1.00 0.00 C ATOM 1771 CG PHE A 115 3.331 5.350 -2.871 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.000 4.273 -3.428 1.00 0.00 C ATOM 1773 CD2 PHE A 115 4.034 6.519 -2.627 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.345 4.359 -3.735 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.380 6.611 -2.933 1.00 0.00 C ATOM 1776 CZ PHE A 115 6.035 5.529 -3.488 1.00 0.00 C ATOM 0 H PHE A 115 -0.638 4.362 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 115 1.098 6.076 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.583 6.121 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.703 4.373 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.465 3.356 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.526 7.367 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.856 3.512 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.918 7.527 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.086 5.598 -3.728 1.00 0.00 H new ATOM 1786 N LEU A 116 1.874 4.236 -5.813 1.00 0.00 N ATOM 1787 CA LEU A 116 2.285 3.174 -6.724 1.00 0.00 C ATOM 1788 C LEU A 116 3.613 3.514 -7.393 1.00 0.00 C ATOM 1789 O LEU A 116 3.797 4.619 -7.906 1.00 0.00 O ATOM 1790 CB LEU A 116 1.210 2.943 -7.789 1.00 0.00 C ATOM 1791 CG LEU A 116 1.633 2.110 -8.999 1.00 0.00 C ATOM 1792 CD1 LEU A 116 2.032 0.707 -8.567 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.511 2.055 -10.026 1.00 0.00 C ATOM 0 H LEU A 116 2.022 5.180 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 116 2.414 2.261 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.358 2.454 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.864 3.914 -8.144 1.00 0.00 H new ATOM 0 HG LEU A 116 2.498 2.586 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.330 0.128 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.867 0.765 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.186 0.221 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.829 1.458 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.372 1.602 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.272 3.065 -10.358 1.00 0.00 H new ATOM 1805 N LEU A 117 4.536 2.558 -7.385 1.00 0.00 N ATOM 1806 CA LEU A 117 5.847 2.756 -7.992 1.00 0.00 C ATOM 1807 C LEU A 117 6.247 1.545 -8.830 1.00 0.00 C ATOM 1808 O LEU A 117 6.601 0.495 -8.291 1.00 0.00 O ATOM 1809 CB LEU A 117 6.899 3.012 -6.911 1.00 0.00 C ATOM 1810 CG LEU A 117 8.184 3.697 -7.374 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.792 4.512 -6.243 1.00 0.00 C ATOM 1812 CD2 LEU A 117 9.181 2.669 -7.889 1.00 0.00 C ATOM 0 H LEU A 117 4.400 1.638 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 117 5.789 3.626 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.447 3.623 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.163 2.057 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 117 7.937 4.375 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.706 4.992 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.082 5.274 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.024 3.855 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.090 3.175 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.423 1.966 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.745 2.129 -8.730 1.00 0.00 H new ATOM 1824 N ASP A 118 6.191 1.700 -10.148 1.00 0.00 N ATOM 1825 CA ASP A 118 6.551 0.620 -11.060 1.00 0.00 C ATOM 1826 C ASP A 118 7.935 0.070 -10.733 1.00 0.00 C ATOM 1827 O ASP A 118 8.763 0.761 -10.138 1.00 0.00 O ATOM 1828 CB ASP A 118 6.513 1.113 -12.507 1.00 0.00 C ATOM 1829 CG ASP A 118 7.319 0.231 -13.440 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.004 -0.974 -13.538 1.00 0.00 O ATOM 1831 OD2 ASP A 118 8.264 0.745 -14.074 1.00 0.00 O ATOM 0 H ASP A 118 5.900 2.562 -10.609 1.00 0.00 H new ATOM 0 HA ASP A 118 5.824 -0.183 -10.938 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.479 1.149 -12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.899 2.132 -12.551 1.00 0.00 H new TER 1836 ASP A 118