USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 GLN : amide:sc= -0.0471 X(o=0.49,f=0.074) USER MOD Set 1.2: A 38 TYR OH : rot 67:sc= 0.279 USER MOD Set 1.3: A 124 TYR OH : rot 30:sc= 0.261 USER MOD Set 2.1: A 34 HIS : no HE2:sc= -7.57! C(o=-8.3!,f=-8.5!) USER MOD Set 2.2: A 115 HIS : no HD1:sc= -0.689 X(o=-8.3,f=-8.3) USER MOD Set 3.1: A 66 ASN : amide:sc= -2.4! C(o=-5!,f=-21!) USER MOD Set 3.2: A 75 ASN : amide:sc= -2.59! C(o=-5!,f=-8.4!) USER MOD Set 4.1: A 3 TYR OH : rot 30:sc= -0.118 USER MOD Set 4.2: A 11 THR OG1 : rot 140:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -131:sc= -0.357 (180deg=-2.52!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 69:sc= 1.12 USER MOD Single : A 37 ASN : amide:sc= -5.78! C(o=-5.8!,f=-8.8!) USER MOD Single : A 39 ASN : amide:sc= -0.632 K(o=-0.63,f=-9.1!) USER MOD Single : A 40 THR OG1 : rot -67:sc= 1.09 USER MOD Single : A 43 THR OG1 : rot -100:sc= 1.14 USER MOD Single : A 44 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= -2.63! USER MOD Single : A 46 ASN : amide:sc= -2.84! C(o=-2.8!,f=-3.4!) USER MOD Single : A 50 GLN : amide:sc= -0.83 K(o=-0.83,f=-2.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -147:sc= -1.06 USER MOD Single : A 54 TYR OH : rot -68:sc= -2.95! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.51! X(o=-2.5!,f=-2.4) USER MOD Single : A 61 SER OG : rot 110:sc= 1.3 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 90:sc= -1.22 USER MOD Single : A 80 ASN : amide:sc= -0.0405 X(o=-0.04,f=-0.27) USER MOD Single : A 82 SER OG : rot 180:sc= -0.476 USER MOD Single : A 86 GLN : amide:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc=-0.00684 X(o=-0.0068,f=-0.15) USER MOD Single : A 117 GLN : amide:sc= -2.2! C(o=-2.2!,f=-9.2!) USER MOD Single : A 118 ASN : amide:sc= -0.0024 X(o=-0.0024,f=-0.49) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.9!) USER MOD Single : A 127 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -3.647 6.534 11.347 1.00 0.00 N ATOM 24 CA VAL A 2 -2.779 5.526 11.934 1.00 0.00 C ATOM 25 C VAL A 2 -3.298 4.135 11.563 1.00 0.00 C ATOM 26 O VAL A 2 -4.505 3.927 11.456 1.00 0.00 O ATOM 27 CB VAL A 2 -2.674 5.742 13.445 1.00 0.00 C ATOM 28 CG1 VAL A 2 -1.761 4.696 14.086 1.00 0.00 C ATOM 29 CG2 VAL A 2 -2.193 7.160 13.763 1.00 0.00 C ATOM 0 HA VAL A 2 -1.768 5.613 11.536 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.670 5.622 13.871 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.704 4.872 15.160 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.164 3.700 13.903 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.764 4.769 13.653 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.127 7.288 14.843 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.211 7.319 13.318 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.898 7.884 13.354 1.00 0.00 H new ATOM 39 N TYR A 3 -2.359 3.220 11.379 1.00 0.00 N ATOM 40 CA TYR A 3 -2.705 1.854 11.023 1.00 0.00 C ATOM 41 C TYR A 3 -1.596 0.882 11.430 1.00 0.00 C ATOM 42 O TYR A 3 -0.473 0.975 10.936 1.00 0.00 O ATOM 43 CB TYR A 3 -2.848 1.838 9.500 1.00 0.00 C ATOM 44 CG TYR A 3 -4.296 1.882 9.010 1.00 0.00 C ATOM 45 CD1 TYR A 3 -4.926 3.096 8.826 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.973 0.708 8.751 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.290 3.138 8.364 1.00 0.00 C ATOM 48 CE2 TYR A 3 -6.337 0.749 8.289 1.00 0.00 C ATOM 49 CZ TYR A 3 -6.928 1.962 8.119 1.00 0.00 C ATOM 50 OH TYR A 3 -8.215 2.001 7.683 1.00 0.00 O ATOM 0 H TYR A 3 -1.359 3.397 11.470 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.618 1.545 11.532 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.309 2.690 9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.371 0.939 9.110 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.396 4.015 9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.480 -0.242 8.895 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.794 4.081 8.216 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.878 -0.163 8.082 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.361 2.821 7.166 1.00 0.00 H new ATOM 60 N GLU A 4 -1.949 -0.027 12.326 1.00 0.00 N ATOM 61 CA GLU A 4 -0.997 -1.015 12.805 1.00 0.00 C ATOM 62 C GLU A 4 -1.318 -2.390 12.218 1.00 0.00 C ATOM 63 O GLU A 4 -2.354 -2.570 11.580 1.00 0.00 O ATOM 64 CB GLU A 4 -0.978 -1.062 14.334 1.00 0.00 C ATOM 65 CG GLU A 4 -2.202 -1.806 14.874 1.00 0.00 C ATOM 66 CD GLU A 4 -2.717 -1.154 16.159 1.00 0.00 C ATOM 67 OE1 GLU A 4 -2.813 0.093 16.163 1.00 0.00 O ATOM 68 OE2 GLU A 4 -3.004 -1.917 17.106 1.00 0.00 O ATOM 0 H GLU A 4 -2.881 -0.100 12.733 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.001 -0.723 12.471 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.068 -1.556 14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.959 -0.048 14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.991 -1.809 14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.943 -2.847 15.069 1.00 0.00 H new ATOM 75 N ARG A 5 -0.409 -3.326 12.453 1.00 0.00 N ATOM 76 CA ARG A 5 -0.582 -4.679 11.954 1.00 0.00 C ATOM 77 C ARG A 5 -2.022 -5.148 12.181 1.00 0.00 C ATOM 78 O ARG A 5 -2.700 -5.559 11.241 1.00 0.00 O ATOM 79 CB ARG A 5 0.377 -5.649 12.648 1.00 0.00 C ATOM 80 CG ARG A 5 0.342 -5.463 14.166 1.00 0.00 C ATOM 81 CD ARG A 5 1.704 -5.780 14.788 1.00 0.00 C ATOM 82 NE ARG A 5 1.884 -5.001 16.033 1.00 0.00 N ATOM 83 CZ ARG A 5 2.946 -5.113 16.843 1.00 0.00 C ATOM 84 NH1 ARG A 5 3.929 -5.973 16.543 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.025 -4.366 17.953 1.00 0.00 N ATOM 0 H ARG A 5 0.449 -3.173 12.982 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.362 -4.669 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.107 -6.675 12.397 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.391 -5.488 12.282 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.059 -4.438 14.404 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.419 -6.112 14.598 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.776 -6.846 15.003 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.500 -5.542 14.082 1.00 0.00 H new ATOM 0 HE ARG A 5 1.154 -4.337 16.291 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.869 -6.542 15.699 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.737 -6.059 17.159 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.277 -3.712 18.182 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.833 -4.452 18.569 1.00 0.00 H new ATOM 99 N CYS A 6 -2.445 -5.072 13.433 1.00 0.00 N ATOM 100 CA CYS A 6 -3.791 -5.483 13.796 1.00 0.00 C ATOM 101 C CYS A 6 -4.781 -4.703 12.928 1.00 0.00 C ATOM 102 O CYS A 6 -5.336 -5.246 11.974 1.00 0.00 O ATOM 103 CB CYS A 6 -4.061 -5.284 15.288 1.00 0.00 C ATOM 104 SG CYS A 6 -3.896 -6.797 16.306 1.00 0.00 S ATOM 0 H CYS A 6 -1.879 -4.732 14.210 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.910 -6.551 13.612 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.374 -4.529 15.670 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.069 -4.888 15.411 1.00 0.00 H new ATOM 109 N GLU A 7 -4.971 -3.443 13.290 1.00 0.00 N ATOM 110 CA GLU A 7 -5.885 -2.584 12.556 1.00 0.00 C ATOM 111 C GLU A 7 -5.830 -2.904 11.062 1.00 0.00 C ATOM 112 O GLU A 7 -6.814 -3.367 10.485 1.00 0.00 O ATOM 113 CB GLU A 7 -5.573 -1.108 12.812 1.00 0.00 C ATOM 114 CG GLU A 7 -6.543 -0.513 13.835 1.00 0.00 C ATOM 115 CD GLU A 7 -7.989 -0.616 13.345 1.00 0.00 C ATOM 116 OE1 GLU A 7 -8.197 -0.378 12.136 1.00 0.00 O ATOM 117 OE2 GLU A 7 -8.853 -0.932 14.191 1.00 0.00 O ATOM 0 H GLU A 7 -4.508 -2.996 14.081 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.898 -2.775 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.550 -1.006 13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.638 -0.551 11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.440 -1.035 14.786 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.290 0.532 14.016 1.00 0.00 H new ATOM 124 N PHE A 8 -4.670 -2.646 10.475 1.00 0.00 N ATOM 125 CA PHE A 8 -4.474 -2.901 9.058 1.00 0.00 C ATOM 126 C PHE A 8 -5.020 -4.276 8.669 1.00 0.00 C ATOM 127 O PHE A 8 -5.758 -4.402 7.692 1.00 0.00 O ATOM 128 CB PHE A 8 -2.967 -2.873 8.803 1.00 0.00 C ATOM 129 CG PHE A 8 -2.586 -2.842 7.321 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.808 -1.719 6.586 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.027 -3.936 6.740 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.455 -1.691 5.211 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.674 -3.908 5.364 1.00 0.00 C ATOM 134 CZ PHE A 8 -1.896 -2.785 4.629 1.00 0.00 C ATOM 0 H PHE A 8 -3.856 -2.263 10.956 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.000 -2.150 8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.542 -1.998 9.295 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.514 -3.750 9.266 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.252 -0.850 7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.851 -4.827 7.324 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.631 -0.800 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.230 -4.777 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.628 -2.763 3.583 1.00 0.00 H new ATOM 144 N ALA A 9 -4.637 -5.273 9.452 1.00 0.00 N ATOM 145 CA ALA A 9 -5.078 -6.635 9.200 1.00 0.00 C ATOM 146 C ALA A 9 -6.607 -6.677 9.194 1.00 0.00 C ATOM 147 O ALA A 9 -7.214 -7.163 8.241 1.00 0.00 O ATOM 148 CB ALA A 9 -4.474 -7.570 10.251 1.00 0.00 C ATOM 0 H ALA A 9 -4.026 -5.165 10.262 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.734 -6.976 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.805 -8.591 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.386 -7.525 10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.801 -7.261 11.244 1.00 0.00 H new ATOM 154 N ARG A 10 -7.187 -6.162 10.269 1.00 0.00 N ATOM 155 CA ARG A 10 -8.634 -6.135 10.398 1.00 0.00 C ATOM 156 C ARG A 10 -9.264 -5.471 9.171 1.00 0.00 C ATOM 157 O ARG A 10 -10.111 -6.066 8.506 1.00 0.00 O ATOM 158 CB ARG A 10 -9.060 -5.375 11.656 1.00 0.00 C ATOM 159 CG ARG A 10 -10.528 -5.648 11.991 1.00 0.00 C ATOM 160 CD ARG A 10 -10.947 -4.908 13.262 1.00 0.00 C ATOM 161 NE ARG A 10 -12.197 -4.153 13.021 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.658 -3.187 13.826 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.976 -2.851 14.929 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.802 -2.555 13.528 1.00 0.00 N ATOM 0 H ARG A 10 -6.681 -5.760 11.058 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.980 -7.166 10.475 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.431 -5.672 12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.910 -4.306 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.159 -5.335 11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.682 -6.719 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.093 -5.619 14.075 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.155 -4.226 13.573 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.742 -4.383 12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.105 -3.331 15.156 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.328 -2.115 15.542 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.322 -2.810 12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.153 -1.819 14.141 1.00 0.00 H new ATOM 178 N THR A 11 -8.828 -4.248 8.910 1.00 0.00 N ATOM 179 CA THR A 11 -9.339 -3.497 7.776 1.00 0.00 C ATOM 180 C THR A 11 -9.227 -4.325 6.495 1.00 0.00 C ATOM 181 O THR A 11 -10.216 -4.532 5.796 1.00 0.00 O ATOM 182 CB THR A 11 -8.584 -2.169 7.709 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.129 -1.406 8.783 1.00 0.00 O ATOM 184 CG2 THR A 11 -8.935 -1.358 6.460 1.00 0.00 C ATOM 0 H THR A 11 -8.126 -3.758 9.465 1.00 0.00 H new ATOM 0 HA THR A 11 -10.400 -3.278 7.893 1.00 0.00 H new ATOM 0 HB THR A 11 -7.511 -2.360 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.411 -0.911 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.372 -0.425 6.462 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.681 -1.933 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.002 -1.137 6.458 1.00 0.00 H new ATOM 192 N LEU A 12 -8.010 -4.777 6.225 1.00 0.00 N ATOM 193 CA LEU A 12 -7.755 -5.578 5.040 1.00 0.00 C ATOM 194 C LEU A 12 -8.791 -6.701 4.955 1.00 0.00 C ATOM 195 O LEU A 12 -9.421 -6.892 3.916 1.00 0.00 O ATOM 196 CB LEU A 12 -6.308 -6.074 5.030 1.00 0.00 C ATOM 197 CG LEU A 12 -5.474 -5.687 3.807 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.875 -4.289 3.973 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.401 -6.740 3.519 1.00 0.00 C ATOM 0 H LEU A 12 -7.190 -4.603 6.807 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.867 -4.973 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.808 -5.693 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.317 -7.161 5.110 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.134 -5.654 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.287 -4.038 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.677 -3.561 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.233 -4.270 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.823 -6.440 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.738 -6.829 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.877 -7.702 3.327 1.00 0.00 H new ATOM 211 N LYS A 13 -8.936 -7.414 6.063 1.00 0.00 N ATOM 212 CA LYS A 13 -9.884 -8.512 6.127 1.00 0.00 C ATOM 213 C LYS A 13 -11.305 -7.963 5.983 1.00 0.00 C ATOM 214 O LYS A 13 -12.195 -8.653 5.491 1.00 0.00 O ATOM 215 CB LYS A 13 -9.668 -9.333 7.399 1.00 0.00 C ATOM 216 CG LYS A 13 -10.005 -10.807 7.165 1.00 0.00 C ATOM 217 CD LYS A 13 -9.188 -11.711 8.091 1.00 0.00 C ATOM 218 CE LYS A 13 -8.895 -13.057 7.425 1.00 0.00 C ATOM 219 NZ LYS A 13 -10.029 -13.988 7.618 1.00 0.00 N ATOM 0 H LYS A 13 -8.412 -7.252 6.923 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.723 -9.202 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.632 -9.241 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.290 -8.937 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.069 -10.972 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.805 -11.069 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.251 -11.219 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.733 -11.872 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.714 -12.911 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.987 -13.488 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.814 -14.897 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.183 -14.141 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.888 -13.582 7.195 1.00 0.00 H new ATOM 233 N ARG A 14 -11.474 -6.724 6.424 1.00 0.00 N ATOM 234 CA ARG A 14 -12.770 -6.074 6.351 1.00 0.00 C ATOM 235 C ARG A 14 -13.033 -5.572 4.930 1.00 0.00 C ATOM 236 O ARG A 14 -14.185 -5.404 4.530 1.00 0.00 O ATOM 237 CB ARG A 14 -12.852 -4.895 7.324 1.00 0.00 C ATOM 238 CG ARG A 14 -14.289 -4.388 7.453 1.00 0.00 C ATOM 239 CD ARG A 14 -14.529 -3.761 8.828 1.00 0.00 C ATOM 240 NE ARG A 14 -15.829 -4.214 9.371 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.472 -3.612 10.380 1.00 0.00 C ATOM 242 NH1 ARG A 14 -15.939 -2.529 10.964 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.648 -4.093 10.807 1.00 0.00 N ATOM 0 H ARG A 14 -10.734 -6.154 6.833 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.525 -6.810 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.481 -5.200 8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.208 -4.087 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.490 -3.652 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.985 -5.213 7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.724 -4.039 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.518 -2.674 8.748 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.262 -5.036 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.044 -2.163 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.429 -2.071 11.732 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.053 -4.917 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.138 -3.635 11.575 1.00 0.00 H new ATOM 257 N ASN A 15 -11.947 -5.345 4.206 1.00 0.00 N ATOM 258 CA ASN A 15 -12.046 -4.865 2.838 1.00 0.00 C ATOM 259 C ASN A 15 -12.125 -6.062 1.887 1.00 0.00 C ATOM 260 O ASN A 15 -12.883 -6.040 0.919 1.00 0.00 O ATOM 261 CB ASN A 15 -10.818 -4.038 2.455 1.00 0.00 C ATOM 262 CG ASN A 15 -11.217 -2.815 1.627 1.00 0.00 C ATOM 263 OD1 ASN A 15 -11.391 -1.719 2.136 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.354 -3.061 0.328 1.00 0.00 N ATOM 0 H ASN A 15 -10.994 -5.485 4.541 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.938 -4.243 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.296 -3.717 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.122 -4.655 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.620 -2.309 -0.308 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.193 -4.001 -0.033 1.00 0.00 H new ATOM 271 N GLY A 16 -11.334 -7.078 2.198 1.00 0.00 N ATOM 272 CA GLY A 16 -11.305 -8.280 1.383 1.00 0.00 C ATOM 273 C GLY A 16 -9.965 -8.420 0.659 1.00 0.00 C ATOM 274 O GLY A 16 -9.929 -8.702 -0.539 1.00 0.00 O ATOM 0 H GLY A 16 -10.708 -7.093 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.476 -9.154 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.115 -8.249 0.654 1.00 0.00 H new ATOM 278 N MET A 17 -8.896 -8.218 1.415 1.00 0.00 N ATOM 279 CA MET A 17 -7.557 -8.317 0.860 1.00 0.00 C ATOM 280 C MET A 17 -6.712 -9.326 1.641 1.00 0.00 C ATOM 281 O MET A 17 -5.940 -10.081 1.053 1.00 0.00 O ATOM 282 CB MET A 17 -6.882 -6.945 0.903 1.00 0.00 C ATOM 283 CG MET A 17 -6.599 -6.428 -0.509 1.00 0.00 C ATOM 284 SD MET A 17 -8.133 -6.073 -1.349 1.00 0.00 S ATOM 285 CE MET A 17 -7.903 -7.035 -2.835 1.00 0.00 C ATOM 0 H MET A 17 -8.930 -7.986 2.408 1.00 0.00 H new ATOM 0 HA MET A 17 -7.637 -8.660 -0.172 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.521 -6.238 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.949 -7.012 1.463 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.986 -5.528 -0.459 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.031 -7.170 -1.070 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.130 -6.420 -3.706 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.869 -7.376 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.569 -7.897 -2.817 1.00 0.00 H new ATOM 295 N ALA A 18 -6.889 -9.306 2.953 1.00 0.00 N ATOM 296 CA ALA A 18 -6.155 -10.210 3.822 1.00 0.00 C ATOM 297 C ALA A 18 -6.324 -11.645 3.318 1.00 0.00 C ATOM 298 O ALA A 18 -7.411 -12.212 3.403 1.00 0.00 O ATOM 299 CB ALA A 18 -6.635 -10.037 5.264 1.00 0.00 C ATOM 0 H ALA A 18 -7.531 -8.677 3.436 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.090 -9.978 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.084 -10.716 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.464 -9.009 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.700 -10.263 5.323 1.00 0.00 H new ATOM 305 N GLY A 19 -5.232 -12.190 2.803 1.00 0.00 N ATOM 306 CA GLY A 19 -5.245 -13.548 2.286 1.00 0.00 C ATOM 307 C GLY A 19 -5.753 -13.579 0.843 1.00 0.00 C ATOM 308 O GLY A 19 -6.316 -14.580 0.401 1.00 0.00 O ATOM 0 H GLY A 19 -4.332 -11.716 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.240 -13.968 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.880 -14.174 2.913 1.00 0.00 H new ATOM 312 N TYR A 20 -5.536 -12.472 0.148 1.00 0.00 N ATOM 313 CA TYR A 20 -5.965 -12.360 -1.235 1.00 0.00 C ATOM 314 C TYR A 20 -5.531 -13.584 -2.045 1.00 0.00 C ATOM 315 O TYR A 20 -4.859 -14.472 -1.521 1.00 0.00 O ATOM 316 CB TYR A 20 -5.266 -11.119 -1.794 1.00 0.00 C ATOM 317 CG TYR A 20 -5.745 -10.712 -3.190 1.00 0.00 C ATOM 318 CD1 TYR A 20 -7.032 -10.249 -3.369 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.889 -10.805 -4.267 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.484 -9.865 -4.681 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.339 -10.421 -5.580 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.614 -9.971 -5.723 1.00 0.00 C ATOM 323 OH TYR A 20 -7.040 -9.607 -6.962 1.00 0.00 O ATOM 0 H TYR A 20 -5.068 -11.644 0.518 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.051 -12.291 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.424 -10.286 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.192 -11.304 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.701 -10.174 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.881 -11.166 -4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.489 -9.502 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.679 -10.489 -6.432 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.314 -9.734 -7.608 1.00 0.00 H new ATOM 333 N TYR A 21 -5.933 -13.592 -3.307 1.00 0.00 N ATOM 334 CA TYR A 21 -5.593 -14.692 -4.194 1.00 0.00 C ATOM 335 C TYR A 21 -4.196 -15.235 -3.884 1.00 0.00 C ATOM 336 O TYR A 21 -4.030 -16.429 -3.645 1.00 0.00 O ATOM 337 CB TYR A 21 -5.601 -14.111 -5.609 1.00 0.00 C ATOM 338 CG TYR A 21 -6.832 -14.492 -6.431 1.00 0.00 C ATOM 339 CD1 TYR A 21 -8.057 -13.924 -6.144 1.00 0.00 C ATOM 340 CD2 TYR A 21 -6.719 -15.403 -7.461 1.00 0.00 C ATOM 341 CE1 TYR A 21 -9.216 -14.284 -6.919 1.00 0.00 C ATOM 342 CE2 TYR A 21 -7.878 -15.763 -8.237 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.070 -15.185 -7.927 1.00 0.00 C ATOM 344 OH TYR A 21 -10.165 -15.524 -8.659 1.00 0.00 O ATOM 0 H TYR A 21 -6.491 -12.854 -3.737 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.300 -15.513 -4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.542 -13.025 -5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.707 -14.448 -6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.146 -13.210 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.760 -15.847 -7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.180 -13.848 -6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.803 -16.475 -9.046 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.911 -16.176 -9.345 1.00 0.00 H new ATOM 354 N GLY A 22 -3.229 -14.329 -3.900 1.00 0.00 N ATOM 355 CA GLY A 22 -1.851 -14.702 -3.625 1.00 0.00 C ATOM 356 C GLY A 22 -1.333 -13.997 -2.370 1.00 0.00 C ATOM 357 O GLY A 22 -0.969 -14.649 -1.392 1.00 0.00 O ATOM 0 H GLY A 22 -3.372 -13.339 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.782 -15.782 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.223 -14.443 -4.478 1.00 0.00 H new ATOM 361 N VAL A 23 -1.316 -12.674 -2.438 1.00 0.00 N ATOM 362 CA VAL A 23 -0.848 -11.873 -1.319 1.00 0.00 C ATOM 363 C VAL A 23 -1.505 -12.371 -0.031 1.00 0.00 C ATOM 364 O VAL A 23 -2.729 -12.352 0.094 1.00 0.00 O ATOM 365 CB VAL A 23 -1.112 -10.391 -1.591 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.377 -9.509 -0.580 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.729 -10.019 -3.025 1.00 0.00 C ATOM 0 H VAL A 23 -1.619 -12.136 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 23 0.230 -11.980 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.181 -10.214 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.581 -8.460 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.720 -9.746 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.695 -9.691 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.927 -8.960 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.331 -10.219 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.318 -10.612 -3.724 1.00 0.00 H new ATOM 377 N SER A 24 -0.664 -12.806 0.896 1.00 0.00 N ATOM 378 CA SER A 24 -1.147 -13.308 2.170 1.00 0.00 C ATOM 379 C SER A 24 -1.273 -12.158 3.172 1.00 0.00 C ATOM 380 O SER A 24 -0.483 -11.216 3.143 1.00 0.00 O ATOM 381 CB SER A 24 -0.220 -14.393 2.722 1.00 0.00 C ATOM 382 OG SER A 24 -0.901 -15.630 2.913 1.00 0.00 O ATOM 0 H SER A 24 0.350 -12.821 0.789 1.00 0.00 H new ATOM 0 HA SER A 24 -2.129 -13.753 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.614 -14.541 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.202 -14.061 3.671 1.00 0.00 H new ATOM 0 HG SER A 24 -0.275 -16.297 3.265 1.00 0.00 H new ATOM 388 N LEU A 25 -2.273 -12.273 4.033 1.00 0.00 N ATOM 389 CA LEU A 25 -2.513 -11.255 5.041 1.00 0.00 C ATOM 390 C LEU A 25 -1.178 -10.824 5.652 1.00 0.00 C ATOM 391 O LEU A 25 -0.895 -9.631 5.752 1.00 0.00 O ATOM 392 CB LEU A 25 -3.530 -11.752 6.073 1.00 0.00 C ATOM 393 CG LEU A 25 -3.718 -10.869 7.308 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.849 -9.396 6.914 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.905 -11.345 8.146 1.00 0.00 C ATOM 0 H LEU A 25 -2.927 -13.056 4.053 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.958 -10.369 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.495 -11.862 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.227 -12.745 6.404 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.828 -10.958 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.982 -8.790 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.947 -9.078 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.712 -9.270 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.017 -10.700 9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.814 -11.304 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.732 -12.370 8.473 1.00 0.00 H new ATOM 407 N ALA A 26 -0.395 -11.818 6.046 1.00 0.00 N ATOM 408 CA ALA A 26 0.903 -11.556 6.643 1.00 0.00 C ATOM 409 C ALA A 26 1.760 -10.757 5.660 1.00 0.00 C ATOM 410 O ALA A 26 2.461 -9.826 6.056 1.00 0.00 O ATOM 411 CB ALA A 26 1.556 -12.879 7.047 1.00 0.00 C ATOM 0 H ALA A 26 -0.635 -12.806 5.963 1.00 0.00 H new ATOM 0 HA ALA A 26 0.796 -10.957 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.530 -12.682 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.921 -13.392 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.683 -13.507 6.165 1.00 0.00 H new ATOM 417 N ASP A 27 1.678 -11.150 4.398 1.00 0.00 N ATOM 418 CA ASP A 27 2.438 -10.483 3.354 1.00 0.00 C ATOM 419 C ASP A 27 1.970 -9.031 3.238 1.00 0.00 C ATOM 420 O ASP A 27 2.774 -8.134 2.989 1.00 0.00 O ATOM 421 CB ASP A 27 2.225 -11.159 1.999 1.00 0.00 C ATOM 422 CG ASP A 27 2.524 -12.659 1.970 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.040 -13.155 2.996 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.233 -13.276 0.923 1.00 0.00 O ATOM 0 H ASP A 27 1.096 -11.923 4.074 1.00 0.00 H new ATOM 0 HA ASP A 27 3.494 -10.535 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.191 -11.004 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.855 -10.664 1.260 1.00 0.00 H new ATOM 429 N TRP A 28 0.671 -8.845 3.423 1.00 0.00 N ATOM 430 CA TRP A 28 0.086 -7.517 3.341 1.00 0.00 C ATOM 431 C TRP A 28 0.645 -6.682 4.494 1.00 0.00 C ATOM 432 O TRP A 28 1.241 -5.630 4.272 1.00 0.00 O ATOM 433 CB TRP A 28 -1.442 -7.591 3.343 1.00 0.00 C ATOM 434 CG TRP A 28 -2.052 -7.895 1.972 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.856 -8.912 1.635 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.872 -7.129 0.763 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.207 -8.858 0.301 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.590 -7.740 -0.246 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.128 -5.960 0.528 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.634 -7.253 -1.558 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.183 -5.486 -0.789 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.901 -6.089 -1.815 1.00 0.00 C ATOM 0 H TRP A 28 0.007 -9.592 3.629 1.00 0.00 H new ATOM 0 HA TRP A 28 0.353 -7.035 2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.757 -8.360 4.048 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.841 -6.643 3.705 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.188 -9.678 2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.809 -9.518 -0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.559 -5.466 1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.203 -7.749 -2.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.629 -4.589 -1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.893 -5.661 -2.807 1.00 0.00 H new ATOM 453 N VAL A 29 0.434 -7.183 5.703 1.00 0.00 N ATOM 454 CA VAL A 29 0.910 -6.497 6.892 1.00 0.00 C ATOM 455 C VAL A 29 2.417 -6.262 6.771 1.00 0.00 C ATOM 456 O VAL A 29 2.876 -5.122 6.813 1.00 0.00 O ATOM 457 CB VAL A 29 0.526 -7.290 8.143 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.281 -6.776 9.370 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.986 -7.253 8.373 1.00 0.00 C ATOM 0 H VAL A 29 -0.061 -8.056 5.884 1.00 0.00 H new ATOM 0 HA VAL A 29 0.436 -5.520 6.985 1.00 0.00 H new ATOM 0 HB VAL A 29 0.814 -8.329 7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.990 -7.356 10.246 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.354 -6.879 9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.038 -5.726 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.232 -7.824 9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.309 -6.220 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.496 -7.688 7.513 1.00 0.00 H new ATOM 469 N CYS A 30 3.144 -7.360 6.624 1.00 0.00 N ATOM 470 CA CYS A 30 4.589 -7.288 6.497 1.00 0.00 C ATOM 471 C CYS A 30 4.928 -6.227 5.448 1.00 0.00 C ATOM 472 O CYS A 30 5.790 -5.380 5.672 1.00 0.00 O ATOM 473 CB CYS A 30 5.195 -8.649 6.147 1.00 0.00 C ATOM 474 SG CYS A 30 5.406 -8.959 4.356 1.00 0.00 S ATOM 0 H CYS A 30 2.759 -8.304 6.590 1.00 0.00 H new ATOM 0 HA CYS A 30 5.026 -7.004 7.454 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.167 -8.734 6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.561 -9.431 6.564 1.00 0.00 H new ATOM 479 N LEU A 31 4.230 -6.309 4.324 1.00 0.00 N ATOM 480 CA LEU A 31 4.445 -5.366 3.240 1.00 0.00 C ATOM 481 C LEU A 31 4.201 -3.944 3.750 1.00 0.00 C ATOM 482 O LEU A 31 5.077 -3.085 3.650 1.00 0.00 O ATOM 483 CB LEU A 31 3.591 -5.740 2.027 1.00 0.00 C ATOM 484 CG LEU A 31 3.691 -4.802 0.822 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.257 -3.384 1.193 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.097 -4.833 0.217 1.00 0.00 C ATOM 0 H LEU A 31 3.516 -7.014 4.141 1.00 0.00 H new ATOM 0 HA LEU A 31 5.479 -5.409 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.871 -6.743 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.548 -5.785 2.342 1.00 0.00 H new ATOM 0 HG LEU A 31 3.003 -5.158 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.338 -2.738 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.223 -3.399 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.900 -3.003 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.140 -4.158 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.823 -4.517 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.330 -5.846 -0.109 1.00 0.00 H new ATOM 498 N ALA A 32 3.007 -3.738 4.285 1.00 0.00 N ATOM 499 CA ALA A 32 2.636 -2.436 4.810 1.00 0.00 C ATOM 500 C ALA A 32 3.621 -2.035 5.910 1.00 0.00 C ATOM 501 O ALA A 32 3.780 -0.852 6.204 1.00 0.00 O ATOM 502 CB ALA A 32 1.190 -2.479 5.309 1.00 0.00 C ATOM 0 H ALA A 32 2.283 -4.452 4.366 1.00 0.00 H new ATOM 0 HA ALA A 32 2.688 -1.678 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.912 -1.502 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.528 -2.739 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.099 -3.227 6.097 1.00 0.00 H new ATOM 508 N GLN A 33 4.256 -3.044 6.487 1.00 0.00 N ATOM 509 CA GLN A 33 5.221 -2.812 7.548 1.00 0.00 C ATOM 510 C GLN A 33 6.529 -2.270 6.967 1.00 0.00 C ATOM 511 O GLN A 33 7.016 -1.224 7.394 1.00 0.00 O ATOM 512 CB GLN A 33 5.468 -4.089 8.354 1.00 0.00 C ATOM 513 CG GLN A 33 5.991 -3.761 9.754 1.00 0.00 C ATOM 514 CD GLN A 33 7.179 -4.654 10.118 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.263 -5.808 9.729 1.00 0.00 O ATOM 516 NE2 GLN A 33 8.088 -4.060 10.885 1.00 0.00 N ATOM 0 H GLN A 33 4.121 -4.024 6.240 1.00 0.00 H new ATOM 0 HA GLN A 33 4.811 -2.066 8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.542 -4.659 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.187 -4.720 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.291 -2.714 9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.193 -3.895 10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.956 -3.091 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.917 -4.573 11.183 1.00 0.00 H new ATOM 525 N HIS A 34 7.061 -3.006 6.003 1.00 0.00 N ATOM 526 CA HIS A 34 8.302 -2.612 5.358 1.00 0.00 C ATOM 527 C HIS A 34 8.143 -1.220 4.743 1.00 0.00 C ATOM 528 O HIS A 34 9.119 -0.488 4.595 1.00 0.00 O ATOM 529 CB HIS A 34 8.742 -3.665 4.337 1.00 0.00 C ATOM 530 CG HIS A 34 10.217 -3.628 4.015 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.862 -2.482 3.582 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.165 -4.606 4.067 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.139 -2.770 3.384 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.326 -4.087 3.685 1.00 0.00 N ATOM 0 H HIS A 34 6.655 -3.874 5.653 1.00 0.00 H new ATOM 0 HA HIS A 34 9.098 -2.554 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.488 -4.654 4.718 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.176 -3.523 3.417 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.427 -1.570 3.440 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.000 -5.630 4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.899 -2.083 3.044 1.00 0.00 H new ATOM 543 N GLU A 35 6.903 -0.898 4.403 1.00 0.00 N ATOM 544 CA GLU A 35 6.603 0.393 3.808 1.00 0.00 C ATOM 545 C GLU A 35 6.661 1.494 4.870 1.00 0.00 C ATOM 546 O GLU A 35 7.473 2.412 4.773 1.00 0.00 O ATOM 547 CB GLU A 35 5.240 0.374 3.112 1.00 0.00 C ATOM 548 CG GLU A 35 5.242 -0.600 1.932 1.00 0.00 C ATOM 549 CD GLU A 35 6.012 -0.020 0.744 1.00 0.00 C ATOM 550 OE1 GLU A 35 7.260 -0.012 0.827 1.00 0.00 O ATOM 551 OE2 GLU A 35 5.338 0.402 -0.220 1.00 0.00 O ATOM 0 H GLU A 35 6.095 -1.508 4.528 1.00 0.00 H new ATOM 0 HA GLU A 35 7.358 0.605 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.467 0.086 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.993 1.376 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.693 -1.545 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.216 -0.818 1.634 1.00 0.00 H new ATOM 558 N SER A 36 5.789 1.363 5.859 1.00 0.00 N ATOM 559 CA SER A 36 5.730 2.336 6.937 1.00 0.00 C ATOM 560 C SER A 36 4.371 2.261 7.635 1.00 0.00 C ATOM 561 O SER A 36 3.626 3.240 7.658 1.00 0.00 O ATOM 562 CB SER A 36 5.983 3.752 6.417 1.00 0.00 C ATOM 563 OG SER A 36 7.343 4.146 6.579 1.00 0.00 O ATOM 0 H SER A 36 5.118 0.599 5.937 1.00 0.00 H new ATOM 0 HA SER A 36 6.514 2.098 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.714 3.804 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.337 4.453 6.946 1.00 0.00 H new ATOM 0 HG SER A 36 7.909 3.627 5.970 1.00 0.00 H new ATOM 569 N ASN A 37 4.088 1.091 8.187 1.00 0.00 N ATOM 570 CA ASN A 37 2.831 0.876 8.883 1.00 0.00 C ATOM 571 C ASN A 37 2.699 1.897 10.015 1.00 0.00 C ATOM 572 O ASN A 37 3.348 2.943 9.991 1.00 0.00 O ATOM 573 CB ASN A 37 2.775 -0.523 9.501 1.00 0.00 C ATOM 574 CG ASN A 37 3.776 -0.656 10.650 1.00 0.00 C ATOM 575 OD1 ASN A 37 4.756 0.065 10.741 1.00 0.00 O ATOM 576 ND2 ASN A 37 3.475 -1.615 11.521 1.00 0.00 N ATOM 0 H ASN A 37 4.708 0.281 8.167 1.00 0.00 H new ATOM 0 HA ASN A 37 2.023 0.984 8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.768 -0.723 9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.991 -1.270 8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.081 -1.783 12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.639 -2.183 11.385 1.00 0.00 H new ATOM 583 N TYR A 38 1.856 1.558 10.979 1.00 0.00 N ATOM 584 CA TYR A 38 1.631 2.433 12.117 1.00 0.00 C ATOM 585 C TYR A 38 0.925 3.721 11.688 1.00 0.00 C ATOM 586 O TYR A 38 -0.159 4.033 12.180 1.00 0.00 O ATOM 587 CB TYR A 38 3.017 2.782 12.662 1.00 0.00 C ATOM 588 CG TYR A 38 3.836 1.568 13.105 1.00 0.00 C ATOM 589 CD1 TYR A 38 3.237 0.560 13.831 1.00 0.00 C ATOM 590 CD2 TYR A 38 5.174 1.482 12.778 1.00 0.00 C ATOM 591 CE1 TYR A 38 4.006 -0.584 14.248 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.944 0.339 13.195 1.00 0.00 C ATOM 593 CZ TYR A 38 5.323 -0.637 13.909 1.00 0.00 C ATOM 594 OH TYR A 38 6.050 -1.717 14.303 1.00 0.00 O ATOM 0 H TYR A 38 1.321 0.690 10.996 1.00 0.00 H new ATOM 0 HA TYR A 38 1.002 1.942 12.859 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.572 3.322 11.895 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.903 3.459 13.509 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.190 0.629 14.087 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.643 2.271 12.210 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.549 -1.381 14.816 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.992 0.259 12.946 1.00 0.00 H new ATOM 0 HH TYR A 38 5.734 -2.515 13.829 1.00 0.00 H new ATOM 604 N ASN A 39 1.569 4.435 10.776 1.00 0.00 N ATOM 605 CA ASN A 39 1.016 5.682 10.275 1.00 0.00 C ATOM 606 C ASN A 39 0.844 5.586 8.758 1.00 0.00 C ATOM 607 O ASN A 39 1.530 4.804 8.100 1.00 0.00 O ATOM 608 CB ASN A 39 1.950 6.856 10.571 1.00 0.00 C ATOM 609 CG ASN A 39 1.414 8.151 9.959 1.00 0.00 C ATOM 610 OD1 ASN A 39 2.036 8.773 9.113 1.00 0.00 O ATOM 611 ND2 ASN A 39 0.228 8.524 10.432 1.00 0.00 N ATOM 0 H ASN A 39 2.468 4.174 10.371 1.00 0.00 H new ATOM 0 HA ASN A 39 0.059 5.849 10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.058 6.977 11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.942 6.645 10.173 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.214 9.376 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.240 7.958 11.140 1.00 0.00 H new ATOM 618 N THR A 40 -0.076 6.390 8.247 1.00 0.00 N ATOM 619 CA THR A 40 -0.347 6.405 6.819 1.00 0.00 C ATOM 620 C THR A 40 -0.427 7.845 6.307 1.00 0.00 C ATOM 621 O THR A 40 -1.279 8.168 5.482 1.00 0.00 O ATOM 622 CB THR A 40 -1.625 5.602 6.572 1.00 0.00 C ATOM 623 OG1 THR A 40 -1.964 5.896 5.219 1.00 0.00 O ATOM 624 CG2 THR A 40 -2.814 6.129 7.378 1.00 0.00 C ATOM 0 H THR A 40 -0.643 7.036 8.796 1.00 0.00 H new ATOM 0 HA THR A 40 0.462 5.937 6.258 1.00 0.00 H new ATOM 0 HB THR A 40 -1.451 4.556 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.221 6.839 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.695 5.523 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.585 6.075 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.011 7.165 7.101 1.00 0.00 H new ATOM 632 N ARG A 41 0.475 8.672 6.817 1.00 0.00 N ATOM 633 CA ARG A 41 0.518 10.069 6.421 1.00 0.00 C ATOM 634 C ARG A 41 1.706 10.321 5.491 1.00 0.00 C ATOM 635 O ARG A 41 1.964 11.459 5.101 1.00 0.00 O ATOM 636 CB ARG A 41 0.633 10.984 7.642 1.00 0.00 C ATOM 637 CG ARG A 41 -0.053 12.327 7.387 1.00 0.00 C ATOM 638 CD ARG A 41 0.173 13.289 8.555 1.00 0.00 C ATOM 639 NE ARG A 41 -0.229 14.660 8.168 1.00 0.00 N ATOM 640 CZ ARG A 41 -0.552 15.623 9.041 1.00 0.00 C ATOM 641 NH1 ARG A 41 -0.521 15.372 10.357 1.00 0.00 N ATOM 642 NH2 ARG A 41 -0.904 16.838 8.598 1.00 0.00 N ATOM 0 H ARG A 41 1.181 8.401 7.501 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.412 10.294 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.181 10.500 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.684 11.148 7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.333 12.768 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.122 12.171 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.403 12.963 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.223 13.278 8.848 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.262 14.886 7.174 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.251 14.448 10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.767 16.105 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.926 17.029 7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.150 17.572 9.263 1.00 0.00 H new ATOM 656 N ALA A 42 2.398 9.240 5.161 1.00 0.00 N ATOM 657 CA ALA A 42 3.553 9.330 4.283 1.00 0.00 C ATOM 658 C ALA A 42 3.228 10.264 3.115 1.00 0.00 C ATOM 659 O ALA A 42 2.360 9.964 2.299 1.00 0.00 O ATOM 660 CB ALA A 42 3.948 7.928 3.815 1.00 0.00 C ATOM 0 H ALA A 42 2.181 8.298 5.486 1.00 0.00 H new ATOM 0 HA ALA A 42 4.407 9.750 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.814 7.995 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.196 7.312 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.116 7.477 3.275 1.00 0.00 H new ATOM 666 N THR A 43 3.945 11.378 3.074 1.00 0.00 N ATOM 667 CA THR A 43 3.745 12.358 2.021 1.00 0.00 C ATOM 668 C THR A 43 5.073 13.020 1.649 1.00 0.00 C ATOM 669 O THR A 43 5.794 13.506 2.519 1.00 0.00 O ATOM 670 CB THR A 43 2.682 13.352 2.495 1.00 0.00 C ATOM 671 OG1 THR A 43 2.917 13.469 3.896 1.00 0.00 O ATOM 672 CG2 THR A 43 1.265 12.783 2.401 1.00 0.00 C ATOM 0 H THR A 43 4.665 11.623 3.753 1.00 0.00 H new ATOM 0 HA THR A 43 3.385 11.887 1.106 1.00 0.00 H new ATOM 0 HB THR A 43 2.747 14.264 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.274 12.913 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.550 13.528 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.045 12.525 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.190 11.890 3.022 1.00 0.00 H new ATOM 680 N ASN A 44 5.357 13.017 0.355 1.00 0.00 N ATOM 681 CA ASN A 44 6.586 13.612 -0.143 1.00 0.00 C ATOM 682 C ASN A 44 6.336 14.199 -1.533 1.00 0.00 C ATOM 683 O ASN A 44 6.378 13.482 -2.532 1.00 0.00 O ATOM 684 CB ASN A 44 7.694 12.564 -0.265 1.00 0.00 C ATOM 685 CG ASN A 44 8.658 12.645 0.922 1.00 0.00 C ATOM 686 OD1 ASN A 44 8.812 13.674 1.560 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.295 11.507 1.180 1.00 0.00 N ATOM 0 H ASN A 44 4.757 12.612 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 44 6.896 14.385 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.254 11.568 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.242 12.716 -1.195 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.960 11.458 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.119 10.682 0.606 1.00 0.00 H new ATOM 694 N TYR A 45 6.083 15.500 -1.555 1.00 0.00 N ATOM 695 CA TYR A 45 5.826 16.192 -2.806 1.00 0.00 C ATOM 696 C TYR A 45 7.128 16.712 -3.421 1.00 0.00 C ATOM 697 O TYR A 45 8.082 17.008 -2.704 1.00 0.00 O ATOM 698 CB TYR A 45 4.932 17.382 -2.454 1.00 0.00 C ATOM 699 CG TYR A 45 3.439 17.048 -2.416 1.00 0.00 C ATOM 700 CD1 TYR A 45 2.881 16.513 -1.273 1.00 0.00 C ATOM 701 CD2 TYR A 45 2.650 17.281 -3.524 1.00 0.00 C ATOM 702 CE1 TYR A 45 1.476 16.198 -1.236 1.00 0.00 C ATOM 703 CE2 TYR A 45 1.246 16.966 -3.488 1.00 0.00 C ATOM 704 CZ TYR A 45 0.727 16.441 -2.346 1.00 0.00 C ATOM 705 OH TYR A 45 -0.599 16.144 -2.312 1.00 0.00 O ATOM 0 H TYR A 45 6.051 16.093 -0.726 1.00 0.00 H new ATOM 0 HA TYR A 45 5.362 15.520 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.231 17.773 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.098 18.176 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.498 16.330 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.086 17.700 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.027 15.779 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.619 17.143 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.007 16.371 -3.174 1.00 0.00 H new ATOM 715 N ASN A 46 7.123 16.808 -4.743 1.00 0.00 N ATOM 716 CA ASN A 46 8.290 17.287 -5.462 1.00 0.00 C ATOM 717 C ASN A 46 7.876 17.713 -6.872 1.00 0.00 C ATOM 718 O ASN A 46 7.634 16.869 -7.733 1.00 0.00 O ATOM 719 CB ASN A 46 9.347 16.188 -5.592 1.00 0.00 C ATOM 720 CG ASN A 46 9.909 15.804 -4.222 1.00 0.00 C ATOM 721 OD1 ASN A 46 9.434 14.897 -3.559 1.00 0.00 O ATOM 722 ND2 ASN A 46 10.947 16.542 -3.838 1.00 0.00 N ATOM 0 H ASN A 46 6.329 16.562 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 46 8.708 18.125 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.908 15.311 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.156 16.530 -6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.395 16.363 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.295 17.287 -4.442 1.00 0.00 H new ATOM 729 N ARG A 47 7.807 19.022 -7.064 1.00 0.00 N ATOM 730 CA ARG A 47 7.426 19.570 -8.354 1.00 0.00 C ATOM 731 C ARG A 47 8.634 19.604 -9.294 1.00 0.00 C ATOM 732 O ARG A 47 8.486 19.446 -10.505 1.00 0.00 O ATOM 733 CB ARG A 47 6.864 20.986 -8.207 1.00 0.00 C ATOM 734 CG ARG A 47 5.787 21.261 -9.259 1.00 0.00 C ATOM 735 CD ARG A 47 4.613 22.030 -8.653 1.00 0.00 C ATOM 736 NE ARG A 47 3.908 22.793 -9.708 1.00 0.00 N ATOM 737 CZ ARG A 47 3.009 22.259 -10.546 1.00 0.00 C ATOM 738 NH1 ARG A 47 2.700 20.958 -10.458 1.00 0.00 N ATOM 739 NH2 ARG A 47 2.420 23.026 -11.474 1.00 0.00 N ATOM 0 H ARG A 47 8.009 19.719 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 47 6.653 18.926 -8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.443 21.112 -7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.670 21.713 -8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.215 21.833 -10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.432 20.319 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.923 21.337 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.973 22.709 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 47 4.120 23.786 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.149 20.374 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.016 20.552 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.656 24.016 -11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.736 22.620 -12.112 1.00 0.00 H new ATOM 753 N GLY A 48 9.800 19.811 -8.701 1.00 0.00 N ATOM 754 CA GLY A 48 11.032 19.868 -9.469 1.00 0.00 C ATOM 755 C GLY A 48 11.011 18.852 -10.613 1.00 0.00 C ATOM 756 O GLY A 48 11.401 19.167 -11.736 1.00 0.00 O ATOM 0 H GLY A 48 9.918 19.941 -7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.168 20.872 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.882 19.669 -8.816 1.00 0.00 H new ATOM 760 N ASP A 49 10.552 17.652 -10.288 1.00 0.00 N ATOM 761 CA ASP A 49 10.475 16.587 -11.274 1.00 0.00 C ATOM 762 C ASP A 49 9.025 16.113 -11.395 1.00 0.00 C ATOM 763 O ASP A 49 8.772 14.943 -11.679 1.00 0.00 O ATOM 764 CB ASP A 49 11.331 15.389 -10.858 1.00 0.00 C ATOM 765 CG ASP A 49 11.544 14.338 -11.948 1.00 0.00 C ATOM 766 OD1 ASP A 49 11.765 14.756 -13.105 1.00 0.00 O ATOM 767 OD2 ASP A 49 11.483 13.139 -11.601 1.00 0.00 O ATOM 0 H ASP A 49 10.230 17.394 -9.355 1.00 0.00 H new ATOM 0 HA ASP A 49 10.840 16.979 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.305 15.753 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.864 14.909 -9.998 1.00 0.00 H new ATOM 772 N GLN A 50 8.111 17.047 -11.173 1.00 0.00 N ATOM 773 CA GLN A 50 6.694 16.739 -11.254 1.00 0.00 C ATOM 774 C GLN A 50 6.431 15.310 -10.774 1.00 0.00 C ATOM 775 O GLN A 50 5.865 14.500 -11.506 1.00 0.00 O ATOM 776 CB GLN A 50 6.168 16.944 -12.676 1.00 0.00 C ATOM 777 CG GLN A 50 4.638 16.960 -12.698 1.00 0.00 C ATOM 778 CD GLN A 50 4.091 18.186 -11.964 1.00 0.00 C ATOM 779 OE1 GLN A 50 3.474 18.090 -10.917 1.00 0.00 O ATOM 780 NE2 GLN A 50 4.351 19.341 -12.572 1.00 0.00 N ATOM 0 H GLN A 50 8.325 18.016 -10.937 1.00 0.00 H new ATOM 0 HA GLN A 50 6.157 17.426 -10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.551 17.882 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.536 16.147 -13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.286 16.962 -13.730 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.255 16.052 -12.232 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.874 19.350 -13.448 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.028 20.217 -12.162 1.00 0.00 H new ATOM 789 N SER A 51 6.857 15.044 -9.547 1.00 0.00 N ATOM 790 CA SER A 51 6.676 13.728 -8.961 1.00 0.00 C ATOM 791 C SER A 51 6.374 13.857 -7.467 1.00 0.00 C ATOM 792 O SER A 51 6.805 14.813 -6.823 1.00 0.00 O ATOM 793 CB SER A 51 7.912 12.853 -9.180 1.00 0.00 C ATOM 794 OG SER A 51 8.967 13.186 -8.283 1.00 0.00 O ATOM 0 H SER A 51 7.327 15.719 -8.943 1.00 0.00 H new ATOM 0 HA SER A 51 5.832 13.247 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.642 11.805 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.260 12.967 -10.207 1.00 0.00 H new ATOM 0 HG SER A 51 9.737 12.604 -8.453 1.00 0.00 H new ATOM 800 N THR A 52 5.637 12.882 -6.957 1.00 0.00 N ATOM 801 CA THR A 52 5.273 12.873 -5.550 1.00 0.00 C ATOM 802 C THR A 52 5.212 11.439 -5.023 1.00 0.00 C ATOM 803 O THR A 52 5.021 10.498 -5.792 1.00 0.00 O ATOM 804 CB THR A 52 3.954 13.633 -5.400 1.00 0.00 C ATOM 805 OG1 THR A 52 4.343 15.002 -5.355 1.00 0.00 O ATOM 806 CG2 THR A 52 3.290 13.390 -4.043 1.00 0.00 C ATOM 0 H THR A 52 5.281 12.091 -7.494 1.00 0.00 H new ATOM 0 HA THR A 52 6.026 13.375 -4.943 1.00 0.00 H new ATOM 0 HB THR A 52 3.272 13.336 -6.197 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.729 15.498 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.358 13.952 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.080 12.327 -3.926 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.959 13.718 -3.247 1.00 0.00 H new ATOM 814 N ASP A 53 5.380 11.316 -3.714 1.00 0.00 N ATOM 815 CA ASP A 53 5.348 10.012 -3.074 1.00 0.00 C ATOM 816 C ASP A 53 4.601 10.121 -1.744 1.00 0.00 C ATOM 817 O ASP A 53 5.032 10.839 -0.843 1.00 0.00 O ATOM 818 CB ASP A 53 6.761 9.505 -2.785 1.00 0.00 C ATOM 819 CG ASP A 53 7.653 9.335 -4.017 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.079 9.159 -5.112 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.888 9.385 -3.833 1.00 0.00 O ATOM 0 H ASP A 53 5.539 12.099 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 53 4.848 9.317 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.246 10.198 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.689 8.546 -2.273 1.00 0.00 H new ATOM 826 N TYR A 54 3.495 9.396 -1.661 1.00 0.00 N ATOM 827 CA TYR A 54 2.684 9.403 -0.454 1.00 0.00 C ATOM 828 C TYR A 54 1.950 8.071 -0.282 1.00 0.00 C ATOM 829 O TYR A 54 1.913 7.255 -1.200 1.00 0.00 O ATOM 830 CB TYR A 54 1.655 10.519 -0.644 1.00 0.00 C ATOM 831 CG TYR A 54 0.921 10.468 -1.984 1.00 0.00 C ATOM 832 CD1 TYR A 54 0.140 9.374 -2.302 1.00 0.00 C ATOM 833 CD2 TYR A 54 1.038 11.514 -2.875 1.00 0.00 C ATOM 834 CE1 TYR A 54 -0.551 9.327 -3.565 1.00 0.00 C ATOM 835 CE2 TYR A 54 0.346 11.466 -4.137 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.414 10.374 -4.420 1.00 0.00 C ATOM 837 OH TYR A 54 -1.068 10.329 -5.612 1.00 0.00 O ATOM 0 H TYR A 54 3.141 8.800 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 54 3.307 9.555 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.923 10.465 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.158 11.482 -0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.048 8.555 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.649 12.369 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.165 8.478 -3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.429 12.279 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.676 9.628 -6.174 1.00 0.00 H new ATOM 847 N GLY A 55 1.384 7.895 0.903 1.00 0.00 N ATOM 848 CA GLY A 55 0.652 6.678 1.209 1.00 0.00 C ATOM 849 C GLY A 55 1.491 5.737 2.076 1.00 0.00 C ATOM 850 O GLY A 55 2.712 5.687 1.942 1.00 0.00 O ATOM 0 H GLY A 55 1.418 8.575 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.274 6.927 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.374 6.174 0.283 1.00 0.00 H new ATOM 854 N ILE A 56 0.801 5.012 2.945 1.00 0.00 N ATOM 855 CA ILE A 56 1.468 4.076 3.834 1.00 0.00 C ATOM 856 C ILE A 56 2.359 3.144 3.010 1.00 0.00 C ATOM 857 O ILE A 56 3.391 2.680 3.492 1.00 0.00 O ATOM 858 CB ILE A 56 0.444 3.340 4.702 1.00 0.00 C ATOM 859 CG1 ILE A 56 1.139 2.400 5.690 1.00 0.00 C ATOM 860 CG2 ILE A 56 -0.582 2.607 3.837 1.00 0.00 C ATOM 861 CD1 ILE A 56 0.149 1.869 6.728 1.00 0.00 C ATOM 0 H ILE A 56 -0.212 5.054 3.052 1.00 0.00 H new ATOM 0 HA ILE A 56 2.118 4.607 4.529 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.101 4.079 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.588 1.566 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.950 2.928 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.298 2.093 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.109 3.326 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.072 1.879 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.667 1.204 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.280 2.704 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.647 1.321 6.224 1.00 0.00 H new ATOM 873 N PHE A 57 1.927 2.897 1.782 1.00 0.00 N ATOM 874 CA PHE A 57 2.672 2.029 0.887 1.00 0.00 C ATOM 875 C PHE A 57 3.650 2.835 0.029 1.00 0.00 C ATOM 876 O PHE A 57 4.124 2.352 -0.997 1.00 0.00 O ATOM 877 CB PHE A 57 1.653 1.348 -0.027 1.00 0.00 C ATOM 878 CG PHE A 57 1.070 0.053 0.546 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.518 0.049 1.789 1.00 0.00 C ATOM 880 CD2 PHE A 57 1.105 -1.091 -0.188 1.00 0.00 C ATOM 881 CE1 PHE A 57 -0.022 -1.152 2.320 1.00 0.00 C ATOM 882 CE2 PHE A 57 0.564 -2.292 0.344 1.00 0.00 C ATOM 883 CZ PHE A 57 0.012 -2.297 1.587 1.00 0.00 C ATOM 0 H PHE A 57 1.070 3.283 1.386 1.00 0.00 H new ATOM 0 HA PHE A 57 3.248 1.306 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.838 2.044 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.128 1.129 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.490 0.958 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.544 -1.087 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.460 -1.156 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.591 -3.201 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.399 -3.210 1.992 1.00 0.00 H new ATOM 893 N GLN A 58 3.921 4.051 0.481 1.00 0.00 N ATOM 894 CA GLN A 58 4.833 4.928 -0.232 1.00 0.00 C ATOM 895 C GLN A 58 4.650 4.770 -1.743 1.00 0.00 C ATOM 896 O GLN A 58 5.484 4.162 -2.412 1.00 0.00 O ATOM 897 CB GLN A 58 6.284 4.660 0.176 1.00 0.00 C ATOM 898 CG GLN A 58 7.193 5.818 -0.240 1.00 0.00 C ATOM 899 CD GLN A 58 7.743 6.550 0.987 1.00 0.00 C ATOM 900 OE1 GLN A 58 8.637 6.081 1.672 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.161 7.722 1.223 1.00 0.00 N ATOM 0 H GLN A 58 3.525 4.449 1.332 1.00 0.00 H new ATOM 0 HA GLN A 58 4.599 5.958 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.342 4.517 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.631 3.736 -0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.019 5.439 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.636 6.516 -0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.418 8.055 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.458 8.288 2.018 1.00 0.00 H new ATOM 910 N ILE A 59 3.554 5.327 -2.235 1.00 0.00 N ATOM 911 CA ILE A 59 3.250 5.255 -3.655 1.00 0.00 C ATOM 912 C ILE A 59 3.637 6.576 -4.322 1.00 0.00 C ATOM 913 O ILE A 59 3.429 7.647 -3.753 1.00 0.00 O ATOM 914 CB ILE A 59 1.787 4.862 -3.871 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.618 3.342 -3.842 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.240 5.476 -5.160 1.00 0.00 C ATOM 917 CD1 ILE A 59 0.189 2.956 -3.454 1.00 0.00 C ATOM 0 H ILE A 59 2.865 5.830 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 59 3.840 4.472 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 59 1.199 5.266 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.857 2.927 -4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.321 2.908 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.199 5.181 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.305 6.562 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.826 5.122 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.096 1.870 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.039 3.352 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.510 3.371 -4.180 1.00 0.00 H new ATOM 929 N ASN A 60 4.193 6.458 -5.518 1.00 0.00 N ATOM 930 CA ASN A 60 4.611 7.629 -6.269 1.00 0.00 C ATOM 931 C ASN A 60 3.451 8.109 -7.145 1.00 0.00 C ATOM 932 O ASN A 60 2.766 7.302 -7.770 1.00 0.00 O ATOM 933 CB ASN A 60 5.792 7.304 -7.186 1.00 0.00 C ATOM 934 CG ASN A 60 5.727 5.855 -7.671 1.00 0.00 C ATOM 935 OD1 ASN A 60 6.308 4.952 -7.092 1.00 0.00 O ATOM 936 ND2 ASN A 60 4.989 5.683 -8.764 1.00 0.00 N ATOM 0 H ASN A 60 4.364 5.568 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 60 4.909 8.397 -5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.788 7.978 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.728 7.471 -6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.883 4.752 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.529 6.482 -9.200 1.00 0.00 H new ATOM 943 N SER A 61 3.268 9.421 -7.162 1.00 0.00 N ATOM 944 CA SER A 61 2.204 10.018 -7.950 1.00 0.00 C ATOM 945 C SER A 61 2.728 10.395 -9.337 1.00 0.00 C ATOM 946 O SER A 61 2.057 11.101 -10.087 1.00 0.00 O ATOM 947 CB SER A 61 1.623 11.248 -7.249 1.00 0.00 C ATOM 948 OG SER A 61 1.167 12.226 -8.179 1.00 0.00 O ATOM 0 H SER A 61 3.839 10.087 -6.642 1.00 0.00 H new ATOM 0 HA SER A 61 1.405 9.284 -8.058 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.795 10.943 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.381 11.689 -6.602 1.00 0.00 H new ATOM 0 HG SER A 61 0.188 12.270 -8.154 1.00 0.00 H new ATOM 954 N ARG A 62 3.923 9.908 -9.635 1.00 0.00 N ATOM 955 CA ARG A 62 4.546 10.185 -10.919 1.00 0.00 C ATOM 956 C ARG A 62 4.102 9.154 -11.958 1.00 0.00 C ATOM 957 O ARG A 62 3.973 9.473 -13.139 1.00 0.00 O ATOM 958 CB ARG A 62 6.071 10.163 -10.808 1.00 0.00 C ATOM 959 CG ARG A 62 6.712 11.043 -11.883 1.00 0.00 C ATOM 960 CD ARG A 62 7.869 10.313 -12.570 1.00 0.00 C ATOM 961 NE ARG A 62 8.936 11.275 -12.921 1.00 0.00 N ATOM 962 CZ ARG A 62 9.891 11.040 -13.832 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.917 9.872 -14.488 1.00 0.00 N ATOM 964 NH2 ARG A 62 10.820 11.972 -14.086 1.00 0.00 N ATOM 0 H ARG A 62 4.477 9.323 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 62 4.231 11.180 -11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.372 10.512 -9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.432 9.139 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.963 11.323 -12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.076 11.967 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.266 9.541 -11.910 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.511 9.811 -13.469 1.00 0.00 H new ATOM 0 HE ARG A 62 8.946 12.174 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.210 9.162 -14.294 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.643 9.693 -15.181 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.801 12.861 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.546 11.792 -14.779 1.00 0.00 H new ATOM 978 N TYR A 63 3.880 7.937 -11.480 1.00 0.00 N ATOM 979 CA TYR A 63 3.454 6.858 -12.353 1.00 0.00 C ATOM 980 C TYR A 63 2.046 6.381 -11.988 1.00 0.00 C ATOM 981 O TYR A 63 1.354 5.789 -12.814 1.00 0.00 O ATOM 982 CB TYR A 63 4.442 5.713 -12.122 1.00 0.00 C ATOM 983 CG TYR A 63 5.284 5.360 -13.350 1.00 0.00 C ATOM 984 CD1 TYR A 63 6.126 6.303 -13.904 1.00 0.00 C ATOM 985 CD2 TYR A 63 5.202 4.099 -13.904 1.00 0.00 C ATOM 986 CE1 TYR A 63 6.917 5.972 -15.060 1.00 0.00 C ATOM 987 CE2 TYR A 63 5.994 3.767 -15.060 1.00 0.00 C ATOM 988 CZ TYR A 63 6.813 4.720 -15.581 1.00 0.00 C ATOM 989 OH TYR A 63 7.561 4.407 -16.672 1.00 0.00 O ATOM 0 H TYR A 63 3.987 7.676 -10.500 1.00 0.00 H new ATOM 0 HA TYR A 63 3.434 7.190 -13.391 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.108 5.982 -11.302 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.889 4.828 -11.807 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.191 7.290 -13.470 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.544 3.361 -13.471 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.578 6.701 -15.504 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.939 2.784 -15.503 1.00 0.00 H new ATOM 0 HH TYR A 63 7.385 3.479 -16.934 1.00 0.00 H new ATOM 999 N TRP A 64 1.665 6.658 -10.749 1.00 0.00 N ATOM 1000 CA TRP A 64 0.353 6.264 -10.265 1.00 0.00 C ATOM 1001 C TRP A 64 -0.452 7.537 -9.993 1.00 0.00 C ATOM 1002 O TRP A 64 0.104 8.634 -9.976 1.00 0.00 O ATOM 1003 CB TRP A 64 0.471 5.357 -9.038 1.00 0.00 C ATOM 1004 CG TRP A 64 0.864 3.916 -9.364 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.196 3.028 -10.114 1.00 0.00 C ATOM 1006 CD2 TRP A 64 2.050 3.226 -8.917 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.863 1.822 -10.184 1.00 0.00 N ATOM 1008 CE2 TRP A 64 2.026 1.946 -9.433 1.00 0.00 C ATOM 1009 CE3 TRP A 64 3.108 3.668 -8.105 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.033 1.003 -9.193 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.108 2.715 -7.875 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.097 1.423 -8.386 1.00 0.00 C ATOM 0 H TRP A 64 2.242 7.150 -10.067 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.173 5.673 -11.014 1.00 0.00 H new ATOM 0 HB2 TRP A 64 1.210 5.779 -8.357 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.483 5.352 -8.510 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.746 3.231 -10.602 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.559 0.992 -10.693 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.147 4.665 -7.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.991 0.007 -9.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.946 3.004 -7.258 1.00 0.00 H new ATOM 0 HH2 TRP A 64 4.907 0.745 -8.161 1.00 0.00 H new ATOM 1023 N CYS A 65 -1.746 7.347 -9.787 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.633 8.467 -9.517 1.00 0.00 C ATOM 1025 C CYS A 65 -2.566 9.429 -10.704 1.00 0.00 C ATOM 1026 O CYS A 65 -1.606 9.406 -11.474 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.283 9.160 -8.199 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.187 10.617 -8.366 1.00 0.00 S ATOM 0 H CYS A 65 -2.202 6.435 -9.801 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.655 8.106 -9.401 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.207 9.472 -7.712 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.804 8.436 -7.540 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.598 10.253 -10.816 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.668 11.222 -11.897 1.00 0.00 C ATOM 1035 C ASN A 66 -3.930 12.612 -11.313 1.00 0.00 C ATOM 1036 O ASN A 66 -4.018 12.772 -10.096 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.810 10.891 -12.859 1.00 0.00 C ATOM 1038 CG ASN A 66 -5.842 9.978 -12.194 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -5.645 8.783 -12.043 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -6.948 10.604 -11.806 1.00 0.00 N ATOM 0 H ASN A 66 -4.392 10.270 -10.176 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.722 11.195 -12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.292 11.812 -13.187 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.411 10.406 -13.750 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.697 10.082 -11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.048 11.607 -11.963 1.00 0.00 H new ATOM 1047 N ASP A 67 -4.048 13.582 -12.207 1.00 0.00 N ATOM 1048 CA ASP A 67 -4.298 14.953 -11.797 1.00 0.00 C ATOM 1049 C ASP A 67 -4.940 15.719 -12.954 1.00 0.00 C ATOM 1050 O ASP A 67 -5.931 16.422 -12.764 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.995 15.663 -11.425 1.00 0.00 C ATOM 1052 CG ASP A 67 -3.136 16.767 -10.375 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -4.290 17.020 -9.969 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -2.086 17.331 -9.999 1.00 0.00 O ATOM 0 H ASP A 67 -3.975 13.445 -13.215 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.957 14.930 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.287 14.921 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.564 16.095 -12.328 1.00 0.00 H new ATOM 1059 N GLY A 68 -4.349 15.557 -14.129 1.00 0.00 N ATOM 1060 CA GLY A 68 -4.850 16.225 -15.318 1.00 0.00 C ATOM 1061 C GLY A 68 -4.313 17.654 -15.412 1.00 0.00 C ATOM 1062 O GLY A 68 -4.616 18.373 -16.363 1.00 0.00 O ATOM 0 H GLY A 68 -3.527 14.972 -14.283 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.557 15.664 -16.205 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.940 16.243 -15.297 1.00 0.00 H new ATOM 1066 N LYS A 69 -3.524 18.023 -14.415 1.00 0.00 N ATOM 1067 CA LYS A 69 -2.942 19.353 -14.373 1.00 0.00 C ATOM 1068 C LYS A 69 -1.512 19.297 -14.919 1.00 0.00 C ATOM 1069 O LYS A 69 -0.915 20.331 -15.212 1.00 0.00 O ATOM 1070 CB LYS A 69 -3.037 19.936 -12.961 1.00 0.00 C ATOM 1071 CG LYS A 69 -3.791 21.268 -12.969 1.00 0.00 C ATOM 1072 CD LYS A 69 -3.839 21.878 -11.566 1.00 0.00 C ATOM 1073 CE LYS A 69 -5.093 22.735 -11.385 1.00 0.00 C ATOM 1074 NZ LYS A 69 -4.915 23.683 -10.262 1.00 0.00 N ATOM 0 H LYS A 69 -3.274 17.423 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.503 20.034 -15.013 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.546 19.230 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.036 20.083 -12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.304 21.962 -13.655 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.805 21.114 -13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.826 21.084 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.950 22.487 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.301 23.284 -12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.954 22.094 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.775 24.257 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.739 23.153 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.106 24.306 -10.459 1.00 0.00 H new ATOM 1088 N THR A 70 -1.007 18.078 -15.041 1.00 0.00 N ATOM 1089 CA THR A 70 0.339 17.873 -15.546 1.00 0.00 C ATOM 1090 C THR A 70 0.340 16.808 -16.645 1.00 0.00 C ATOM 1091 O THR A 70 0.175 15.621 -16.364 1.00 0.00 O ATOM 1092 CB THR A 70 1.242 17.525 -14.361 1.00 0.00 C ATOM 1093 OG1 THR A 70 2.484 17.172 -14.963 1.00 0.00 O ATOM 1094 CG2 THR A 70 0.800 16.249 -13.644 1.00 0.00 C ATOM 0 H THR A 70 -1.506 17.222 -14.799 1.00 0.00 H new ATOM 0 HA THR A 70 0.728 18.778 -16.013 1.00 0.00 H new ATOM 0 HB THR A 70 1.249 18.355 -13.654 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.043 17.972 -15.053 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.474 16.047 -12.812 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.215 16.377 -13.267 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.825 15.412 -14.342 1.00 0.00 H new ATOM 1102 N PRO A 71 0.531 17.281 -17.905 1.00 0.00 N ATOM 1103 CA PRO A 71 0.556 16.383 -19.046 1.00 0.00 C ATOM 1104 C PRO A 71 1.870 15.602 -19.102 1.00 0.00 C ATOM 1105 O PRO A 71 2.631 15.727 -20.061 1.00 0.00 O ATOM 1106 CB PRO A 71 0.345 17.278 -20.256 1.00 0.00 C ATOM 1107 CG PRO A 71 0.675 18.689 -19.794 1.00 0.00 C ATOM 1108 CD PRO A 71 0.730 18.680 -18.276 1.00 0.00 C ATOM 0 HA PRO A 71 -0.217 15.617 -18.994 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.990 16.977 -21.082 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.683 17.215 -20.614 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.629 19.013 -20.209 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.080 19.392 -20.145 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.687 19.054 -17.912 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.044 19.317 -17.848 1.00 0.00 H new ATOM 1116 N ARG A 72 2.100 14.815 -18.061 1.00 0.00 N ATOM 1117 CA ARG A 72 3.309 14.015 -17.979 1.00 0.00 C ATOM 1118 C ARG A 72 3.041 12.726 -17.200 1.00 0.00 C ATOM 1119 O ARG A 72 3.326 11.632 -17.686 1.00 0.00 O ATOM 1120 CB ARG A 72 4.438 14.790 -17.296 1.00 0.00 C ATOM 1121 CG ARG A 72 5.745 14.659 -18.079 1.00 0.00 C ATOM 1122 CD ARG A 72 6.319 16.036 -18.424 1.00 0.00 C ATOM 1123 NE ARG A 72 6.889 16.018 -19.790 1.00 0.00 N ATOM 1124 CZ ARG A 72 7.951 15.285 -20.150 1.00 0.00 C ATOM 1125 NH1 ARG A 72 8.565 14.506 -19.249 1.00 0.00 N ATOM 1126 NH2 ARG A 72 8.400 15.332 -21.412 1.00 0.00 N ATOM 0 H ARG A 72 1.468 14.715 -17.267 1.00 0.00 H new ATOM 0 HA ARG A 72 3.615 13.772 -18.997 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.164 15.842 -17.213 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.579 14.416 -16.282 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.470 14.096 -17.491 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.569 14.095 -18.995 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.537 16.792 -18.357 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.089 16.309 -17.703 1.00 0.00 H new ATOM 0 HE ARG A 72 6.446 16.600 -20.501 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.224 14.471 -18.288 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.374 13.948 -19.524 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.933 15.926 -22.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.209 14.774 -21.687 1.00 0.00 H new ATOM 1140 N ALA A 73 2.496 12.896 -16.005 1.00 0.00 N ATOM 1141 CA ALA A 73 2.186 11.760 -15.154 1.00 0.00 C ATOM 1142 C ALA A 73 1.529 10.664 -15.994 1.00 0.00 C ATOM 1143 O ALA A 73 0.958 10.942 -17.048 1.00 0.00 O ATOM 1144 CB ALA A 73 1.298 12.217 -13.995 1.00 0.00 C ATOM 0 H ALA A 73 2.261 13.804 -15.605 1.00 0.00 H new ATOM 0 HA ALA A 73 3.096 11.344 -14.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.066 11.365 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.822 12.975 -13.412 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.373 12.638 -14.389 1.00 0.00 H new ATOM 1150 N VAL A 74 1.632 9.440 -15.498 1.00 0.00 N ATOM 1151 CA VAL A 74 1.056 8.300 -16.190 1.00 0.00 C ATOM 1152 C VAL A 74 0.205 7.489 -15.209 1.00 0.00 C ATOM 1153 O VAL A 74 0.475 6.314 -14.973 1.00 0.00 O ATOM 1154 CB VAL A 74 2.161 7.472 -16.847 1.00 0.00 C ATOM 1155 CG1 VAL A 74 3.299 7.194 -15.861 1.00 0.00 C ATOM 1156 CG2 VAL A 74 1.603 6.168 -17.421 1.00 0.00 C ATOM 0 H VAL A 74 2.106 9.213 -14.624 1.00 0.00 H new ATOM 0 HA VAL A 74 0.398 8.634 -16.992 1.00 0.00 H new ATOM 0 HB VAL A 74 2.568 8.055 -17.673 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.071 6.604 -16.354 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.725 8.138 -15.522 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.912 6.642 -15.005 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.410 5.599 -17.882 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.156 5.580 -16.620 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.845 6.395 -18.171 1.00 0.00 H new ATOM 1166 N ASN A 75 -0.804 8.152 -14.662 1.00 0.00 N ATOM 1167 CA ASN A 75 -1.695 7.509 -13.713 1.00 0.00 C ATOM 1168 C ASN A 75 -1.982 6.079 -14.177 1.00 0.00 C ATOM 1169 O ASN A 75 -2.838 5.861 -15.034 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.029 8.252 -13.618 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.731 8.294 -14.976 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.109 8.314 -16.025 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.059 8.306 -14.899 1.00 0.00 N ATOM 0 H ASN A 75 -1.023 9.128 -14.859 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.209 7.515 -12.737 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.672 7.761 -12.887 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.859 9.268 -13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.619 8.333 -15.751 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.517 8.288 -13.988 1.00 0.00 H new ATOM 1180 N ALA A 76 -1.251 5.142 -13.591 1.00 0.00 N ATOM 1181 CA ALA A 76 -1.417 3.741 -13.934 1.00 0.00 C ATOM 1182 C ALA A 76 -2.468 3.116 -13.014 1.00 0.00 C ATOM 1183 O ALA A 76 -2.957 2.018 -13.279 1.00 0.00 O ATOM 1184 CB ALA A 76 -0.065 3.029 -13.844 1.00 0.00 C ATOM 0 H ALA A 76 -0.542 5.326 -12.881 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.772 3.637 -14.959 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.190 1.977 -14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.637 3.492 -14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.322 3.110 -12.828 1.00 0.00 H new ATOM 1190 N CYS A 77 -2.783 3.841 -11.950 1.00 0.00 N ATOM 1191 CA CYS A 77 -3.766 3.370 -10.989 1.00 0.00 C ATOM 1192 C CYS A 77 -5.146 3.859 -11.435 1.00 0.00 C ATOM 1193 O CYS A 77 -6.150 3.186 -11.211 1.00 0.00 O ATOM 1194 CB CYS A 77 -3.430 3.827 -9.568 1.00 0.00 C ATOM 1195 SG CYS A 77 -4.267 2.884 -8.242 1.00 0.00 S ATOM 0 H CYS A 77 -2.375 4.750 -11.733 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.760 2.280 -10.961 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.352 3.753 -9.423 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.694 4.880 -9.468 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.151 5.029 -12.058 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.391 5.616 -12.538 1.00 0.00 C ATOM 1202 C GLY A 78 -7.243 6.121 -11.373 1.00 0.00 C ATOM 1203 O GLY A 78 -8.405 5.739 -11.237 1.00 0.00 O ATOM 0 H GLY A 78 -4.316 5.586 -12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.169 6.440 -13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.951 4.876 -13.109 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.635 6.975 -10.561 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.325 7.537 -9.412 1.00 0.00 C ATOM 1209 C ILE A 79 -6.751 8.921 -9.106 1.00 0.00 C ATOM 1210 O ILE A 79 -5.610 9.216 -9.459 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.266 6.570 -8.227 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.063 6.873 -7.332 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.275 5.116 -8.704 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -4.756 6.453 -8.008 1.00 0.00 C ATOM 0 H ILE A 79 -5.672 7.291 -10.677 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.384 7.672 -9.631 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.161 6.715 -7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.033 7.939 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.170 6.348 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.232 4.450 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.188 4.923 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.411 4.938 -9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.917 6.680 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.779 5.382 -8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.640 6.998 -8.945 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.568 9.733 -8.452 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.155 11.080 -8.093 1.00 0.00 C ATOM 1228 C ASN A 80 -6.130 11.010 -6.960 1.00 0.00 C ATOM 1229 O ASN A 80 -6.378 10.384 -5.932 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.345 11.908 -7.604 1.00 0.00 C ATOM 1231 CG ASN A 80 -8.538 13.156 -8.469 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -7.594 13.820 -8.865 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -9.810 13.436 -8.738 1.00 0.00 N ATOM 0 H ASN A 80 -8.514 9.485 -8.161 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.728 11.550 -8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.250 11.301 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.186 12.201 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.044 14.249 -9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.552 12.838 -8.375 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.000 11.663 -7.187 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.936 11.683 -6.197 1.00 0.00 C ATOM 1242 C CYS A 81 -4.549 12.032 -4.840 1.00 0.00 C ATOM 1243 O CYS A 81 -4.141 11.491 -3.813 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.820 12.655 -6.586 1.00 0.00 C ATOM 1245 SG CYS A 81 -2.028 12.307 -8.200 1.00 0.00 S ATOM 0 H CYS A 81 -4.798 12.182 -8.041 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.469 10.700 -6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.228 13.665 -6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.055 12.637 -5.810 1.00 0.00 H new ATOM 1250 N SER A 82 -5.519 12.934 -4.878 1.00 0.00 N ATOM 1251 CA SER A 82 -6.192 13.361 -3.664 1.00 0.00 C ATOM 1252 C SER A 82 -6.786 12.150 -2.940 1.00 0.00 C ATOM 1253 O SER A 82 -6.829 12.117 -1.712 1.00 0.00 O ATOM 1254 CB SER A 82 -7.287 14.384 -3.972 1.00 0.00 C ATOM 1255 OG SER A 82 -8.184 13.920 -4.977 1.00 0.00 O ATOM 0 H SER A 82 -5.855 13.381 -5.731 1.00 0.00 H new ATOM 0 HA SER A 82 -5.457 13.839 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.845 14.603 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.829 15.318 -4.298 1.00 0.00 H new ATOM 0 HG SER A 82 -8.869 14.601 -5.144 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.229 11.187 -3.733 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.818 9.977 -3.185 1.00 0.00 C ATOM 1263 C ALA A 83 -6.801 9.290 -2.271 1.00 0.00 C ATOM 1264 O ALA A 83 -7.177 8.536 -1.374 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.281 9.070 -4.327 1.00 0.00 C ATOM 0 H ALA A 83 -7.192 11.220 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.695 10.216 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.723 8.163 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.023 9.594 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.427 8.807 -4.951 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.533 9.574 -2.529 1.00 0.00 N ATOM 1272 CA LEU A 84 -4.460 8.992 -1.741 1.00 0.00 C ATOM 1273 C LEU A 84 -4.049 9.977 -0.643 1.00 0.00 C ATOM 1274 O LEU A 84 -3.045 9.769 0.036 1.00 0.00 O ATOM 1275 CB LEU A 84 -3.303 8.562 -2.645 1.00 0.00 C ATOM 1276 CG LEU A 84 -3.663 7.603 -3.782 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -3.147 8.126 -5.124 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.159 6.189 -3.487 1.00 0.00 C ATOM 0 H LEU A 84 -5.224 10.200 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.801 8.083 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.854 9.456 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.540 8.090 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.749 7.550 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.416 7.426 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.594 9.098 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.062 8.227 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.428 5.528 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.075 6.205 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.614 5.825 -2.566 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.846 11.025 -0.505 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.577 12.042 0.498 1.00 0.00 C ATOM 1292 C LEU A 85 -5.779 12.155 1.438 1.00 0.00 C ATOM 1293 O LEU A 85 -5.979 13.189 2.074 1.00 0.00 O ATOM 1294 CB LEU A 85 -4.191 13.364 -0.167 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.845 13.958 0.253 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.991 14.301 -0.970 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -3.041 15.166 1.171 1.00 0.00 C ATOM 0 H LEU A 85 -5.678 11.193 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.719 11.757 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.179 13.215 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.971 14.096 0.045 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.303 13.204 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.040 14.721 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.808 13.397 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.516 15.029 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.069 15.569 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.613 15.932 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.582 14.859 2.066 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.548 11.078 1.496 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.726 11.044 2.347 1.00 0.00 C ATOM 1311 C GLN A 86 -7.384 10.417 3.700 1.00 0.00 C ATOM 1312 O GLN A 86 -6.212 10.275 4.044 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.872 10.291 1.668 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.055 10.758 0.222 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.536 10.952 -0.108 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -11.279 10.009 -0.324 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.922 12.225 -0.135 1.00 0.00 N ATOM 0 H GLN A 86 -6.379 10.222 0.968 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.058 12.068 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.669 9.220 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.796 10.449 2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.519 11.694 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.620 10.026 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.248 12.966 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.892 12.459 -0.346 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.430 10.058 4.431 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.255 9.450 5.740 1.00 0.00 C ATOM 1328 C ASP A 87 -8.181 7.930 5.584 1.00 0.00 C ATOM 1329 O ASP A 87 -7.109 7.342 5.709 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.434 9.776 6.659 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.648 10.391 5.962 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.633 11.629 5.787 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -11.562 9.611 5.620 1.00 0.00 O ATOM 0 H ASP A 87 -9.401 10.176 4.142 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.338 9.844 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.748 8.861 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.092 10.463 7.433 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.335 7.338 5.315 1.00 0.00 N ATOM 1339 CA ASP A 88 -9.415 5.898 5.142 1.00 0.00 C ATOM 1340 C ASP A 88 -8.392 5.457 4.092 1.00 0.00 C ATOM 1341 O ASP A 88 -8.133 6.180 3.131 1.00 0.00 O ATOM 1342 CB ASP A 88 -10.803 5.477 4.655 1.00 0.00 C ATOM 1343 CG ASP A 88 -11.809 5.161 5.763 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -11.560 4.177 6.493 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -12.805 5.911 5.857 1.00 0.00 O ATOM 0 H ASP A 88 -10.223 7.830 5.213 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.215 5.431 6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.210 6.274 4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.697 4.598 4.020 1.00 0.00 H new ATOM 1350 N ILE A 89 -7.839 4.273 4.313 1.00 0.00 N ATOM 1351 CA ILE A 89 -6.850 3.728 3.398 1.00 0.00 C ATOM 1352 C ILE A 89 -7.565 3.030 2.238 1.00 0.00 C ATOM 1353 O ILE A 89 -6.923 2.403 1.397 1.00 0.00 O ATOM 1354 CB ILE A 89 -5.868 2.826 4.146 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -6.573 1.584 4.697 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -5.136 3.603 5.243 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -5.622 0.386 4.737 1.00 0.00 C ATOM 0 H ILE A 89 -8.057 3.677 5.111 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.248 4.528 2.967 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.115 2.481 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.948 1.789 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.437 1.346 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.444 2.938 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.581 4.428 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.861 3.997 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.148 -0.483 5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.268 0.169 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.771 0.618 5.378 1.00 0.00 H new ATOM 1369 N THR A 90 -8.883 3.163 2.232 1.00 0.00 N ATOM 1370 CA THR A 90 -9.691 2.554 1.189 1.00 0.00 C ATOM 1371 C THR A 90 -9.042 2.763 -0.180 1.00 0.00 C ATOM 1372 O THR A 90 -9.100 1.884 -1.039 1.00 0.00 O ATOM 1373 CB THR A 90 -11.104 3.132 1.288 1.00 0.00 C ATOM 1374 OG1 THR A 90 -11.836 2.434 0.284 1.00 0.00 O ATOM 1375 CG2 THR A 90 -11.169 4.596 0.844 1.00 0.00 C ATOM 0 H THR A 90 -9.411 3.683 2.932 1.00 0.00 H new ATOM 0 HA THR A 90 -9.757 1.474 1.319 1.00 0.00 H new ATOM 0 HB THR A 90 -11.460 3.046 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.765 2.746 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.193 4.958 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.515 5.197 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.845 4.676 -0.194 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.439 3.932 -0.341 1.00 0.00 N ATOM 1384 CA ALA A 91 -7.779 4.267 -1.591 1.00 0.00 C ATOM 1385 C ALA A 91 -6.464 3.492 -1.693 1.00 0.00 C ATOM 1386 O ALA A 91 -6.105 3.010 -2.767 1.00 0.00 O ATOM 1387 CB ALA A 91 -7.571 5.781 -1.669 1.00 0.00 C ATOM 0 H ALA A 91 -8.394 4.659 0.373 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.398 3.979 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.076 6.032 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.537 6.284 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.952 6.107 -0.833 1.00 0.00 H new ATOM 1393 N ALA A 92 -5.781 3.396 -0.562 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.513 2.688 -0.511 1.00 0.00 C ATOM 1395 C ALA A 92 -4.742 1.217 -0.862 1.00 0.00 C ATOM 1396 O ALA A 92 -3.918 0.601 -1.538 1.00 0.00 O ATOM 1397 CB ALA A 92 -3.885 2.866 0.872 1.00 0.00 C ATOM 0 H ALA A 92 -6.082 3.797 0.326 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.815 3.097 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.934 2.335 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.717 3.926 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.556 2.464 1.631 1.00 0.00 H new ATOM 1403 N ILE A 93 -5.863 0.695 -0.388 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.211 -0.692 -0.644 1.00 0.00 C ATOM 1405 C ILE A 93 -6.672 -0.839 -2.096 1.00 0.00 C ATOM 1406 O ILE A 93 -6.171 -1.692 -2.827 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.234 -1.186 0.380 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -6.817 -0.804 1.801 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.471 -2.691 0.237 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -7.741 -1.447 2.837 1.00 0.00 C ATOM 0 H ILE A 93 -6.543 1.208 0.173 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.338 -1.332 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.184 -0.690 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.789 -1.121 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.840 0.280 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.202 -3.016 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.846 -2.907 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.533 -3.224 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.421 -1.159 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.764 -1.109 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.697 -2.532 2.740 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.623 0.005 -2.468 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.158 -0.019 -3.819 1.00 0.00 C ATOM 1424 C GLN A 94 -7.030 0.139 -4.840 1.00 0.00 C ATOM 1425 O GLN A 94 -6.986 -0.579 -5.838 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.223 1.063 -4.007 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.112 0.753 -5.213 1.00 0.00 C ATOM 1428 CD GLN A 94 -10.862 2.004 -5.677 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.145 2.910 -4.909 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -11.168 2.003 -6.971 1.00 0.00 N ATOM 0 H GLN A 94 -8.037 0.710 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.636 -0.985 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.835 1.136 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.742 2.032 -4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.502 0.367 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -10.826 -0.028 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.901 1.212 -7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.670 2.793 -7.377 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.145 1.082 -4.555 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.019 1.344 -5.436 1.00 0.00 C ATOM 1441 C CYS A 95 -4.049 0.165 -5.339 1.00 0.00 C ATOM 1442 O CYS A 95 -3.593 -0.355 -6.357 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.337 2.673 -5.104 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.428 3.438 -6.495 1.00 0.00 S ATOM 0 H CYS A 95 -6.184 1.675 -3.726 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.372 1.439 -6.463 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.093 3.375 -4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.643 2.513 -4.279 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.762 -0.224 -4.106 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.854 -1.333 -3.862 1.00 0.00 C ATOM 1451 C ALA A 96 -3.253 -2.516 -4.746 1.00 0.00 C ATOM 1452 O ALA A 96 -2.399 -3.145 -5.369 1.00 0.00 O ATOM 1453 CB ALA A 96 -2.867 -1.686 -2.373 1.00 0.00 C ATOM 0 H ALA A 96 -4.142 0.209 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.832 -1.057 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.186 -2.517 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.548 -0.821 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.876 -1.971 -2.075 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.551 -2.783 -4.771 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.073 -3.880 -5.568 1.00 0.00 C ATOM 1461 C LYS A 97 -5.025 -3.497 -7.049 1.00 0.00 C ATOM 1462 O LYS A 97 -4.644 -4.309 -7.891 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.468 -4.279 -5.081 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.466 -3.137 -5.282 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.906 -3.635 -5.131 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.894 -2.652 -5.761 1.00 0.00 C ATOM 1467 NZ LYS A 97 -11.077 -3.371 -6.283 1.00 0.00 N ATOM 0 H LYS A 97 -5.256 -2.259 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.452 -4.768 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.807 -5.163 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.426 -4.548 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.272 -2.348 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.330 -2.700 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.008 -4.612 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.141 -3.765 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.206 -1.916 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.407 -2.105 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.738 -2.690 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.776 -4.057 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.550 -3.873 -5.504 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.416 -2.261 -7.321 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.423 -1.761 -8.685 1.00 0.00 C ATOM 1483 C ARG A 98 -4.002 -1.752 -9.253 1.00 0.00 C ATOM 1484 O ARG A 98 -3.815 -1.769 -10.468 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.000 -0.346 -8.750 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.231 0.085 -10.200 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.597 -0.389 -10.702 1.00 0.00 C ATOM 1488 NE ARG A 98 -8.288 0.715 -11.404 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.693 1.845 -10.811 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -8.477 2.030 -9.502 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -9.314 2.793 -11.528 1.00 0.00 N ATOM 0 H ARG A 98 -5.730 -1.591 -6.620 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.052 -2.424 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.941 -0.307 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.318 0.352 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.169 1.171 -10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.445 -0.324 -10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.472 -1.237 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.202 -0.733 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.467 0.609 -12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.004 1.310 -8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.786 2.891 -9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.478 2.653 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.623 3.654 -11.076 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.037 -1.724 -8.346 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.638 -1.713 -8.742 1.00 0.00 C ATOM 1507 C VAL A 99 -1.145 -3.153 -8.898 1.00 0.00 C ATOM 1508 O VAL A 99 -0.678 -3.539 -9.968 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.817 -0.905 -7.735 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.682 -1.123 -7.951 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.171 0.581 -7.804 1.00 0.00 C ATOM 0 H VAL A 99 -3.195 -1.709 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.518 -1.223 -9.708 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.067 -1.261 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.243 -0.538 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.918 -2.180 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.954 -0.807 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.573 1.132 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.964 0.958 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.229 0.714 -7.578 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.265 -3.907 -7.816 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.837 -5.295 -7.820 1.00 0.00 C ATOM 1523 C VAL A 100 -1.596 -6.056 -8.910 1.00 0.00 C ATOM 1524 O VAL A 100 -1.118 -7.072 -9.410 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.020 -5.904 -6.429 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -0.783 -7.415 -6.455 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.107 -5.222 -5.408 1.00 0.00 C ATOM 0 H VAL A 100 -1.653 -3.583 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 100 0.225 -5.365 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.052 -5.734 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.920 -7.822 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.493 -7.883 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.233 -7.618 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.257 -5.674 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.933 -5.346 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.346 -4.160 -5.359 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.767 -5.534 -9.245 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.597 -6.150 -10.266 1.00 0.00 C ATOM 1539 C ARG A 101 -2.831 -6.244 -11.586 1.00 0.00 C ATOM 1540 O ARG A 101 -3.221 -6.992 -12.482 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.884 -5.352 -10.485 1.00 0.00 C ATOM 1542 CG ARG A 101 -6.073 -6.029 -9.802 1.00 0.00 C ATOM 1543 CD ARG A 101 -7.397 -5.516 -10.370 1.00 0.00 C ATOM 1544 NE ARG A 101 -8.090 -6.602 -11.100 1.00 0.00 N ATOM 1545 CZ ARG A 101 -9.087 -6.404 -11.973 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -9.514 -5.160 -12.231 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -9.657 -7.450 -12.588 1.00 0.00 N ATOM 0 H ARG A 101 -3.161 -4.691 -8.827 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.859 -7.151 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.761 -4.343 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.080 -5.257 -11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.009 -7.109 -9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.036 -5.840 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.030 -5.148 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.214 -4.676 -11.040 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.789 -7.561 -10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.080 -4.364 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.273 -5.009 -12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.332 -8.397 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.416 -7.299 -13.253 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.756 -5.474 -11.666 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.932 -5.462 -12.863 1.00 0.00 C ATOM 1563 C ASP A 102 0.021 -6.657 -12.834 1.00 0.00 C ATOM 1564 O ASP A 102 0.033 -7.423 -11.871 1.00 0.00 O ATOM 1565 CB ASP A 102 -0.089 -4.187 -12.938 1.00 0.00 C ATOM 1566 CG ASP A 102 -0.356 -3.305 -14.160 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -1.329 -3.615 -14.881 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.420 -2.342 -14.345 1.00 0.00 O ATOM 0 H ASP A 102 -1.436 -4.854 -10.922 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.594 -5.509 -13.728 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.267 -3.598 -12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.965 -4.466 -12.933 1.00 0.00 H new ATOM 1573 N PRO A 103 0.817 -6.785 -13.929 1.00 0.00 N ATOM 1574 CA PRO A 103 1.771 -7.876 -14.039 1.00 0.00 C ATOM 1575 C PRO A 103 2.986 -7.632 -13.142 1.00 0.00 C ATOM 1576 O PRO A 103 3.920 -8.434 -13.123 1.00 0.00 O ATOM 1577 CB PRO A 103 2.127 -7.941 -15.515 1.00 0.00 C ATOM 1578 CG PRO A 103 1.721 -6.599 -16.101 1.00 0.00 C ATOM 1579 CD PRO A 103 0.829 -5.898 -15.089 1.00 0.00 C ATOM 0 HA PRO A 103 1.363 -8.828 -13.700 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.193 -8.120 -15.652 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.600 -8.758 -16.008 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.602 -5.994 -16.316 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.192 -6.739 -17.044 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.220 -4.914 -14.831 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.176 -5.748 -15.484 1.00 0.00 H new ATOM 1587 N GLN A 104 2.936 -6.522 -12.418 1.00 0.00 N ATOM 1588 CA GLN A 104 4.020 -6.164 -11.521 1.00 0.00 C ATOM 1589 C GLN A 104 4.061 -7.121 -10.327 1.00 0.00 C ATOM 1590 O GLN A 104 5.044 -7.834 -10.132 1.00 0.00 O ATOM 1591 CB GLN A 104 3.890 -4.713 -11.056 1.00 0.00 C ATOM 1592 CG GLN A 104 3.784 -3.761 -12.250 1.00 0.00 C ATOM 1593 CD GLN A 104 5.118 -3.057 -12.509 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.167 -3.672 -12.603 1.00 0.00 O ATOM 1595 NE2 GLN A 104 5.019 -1.736 -12.618 1.00 0.00 N ATOM 0 H GLN A 104 2.161 -5.859 -12.435 1.00 0.00 H new ATOM 0 HA GLN A 104 4.960 -6.254 -12.066 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.009 -4.608 -10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.753 -4.444 -10.447 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.484 -4.317 -13.138 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.008 -3.019 -12.061 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.109 -1.284 -12.529 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.853 -1.175 -12.791 1.00 0.00 H new ATOM 1604 N GLY A 105 2.980 -7.105 -9.561 1.00 0.00 N ATOM 1605 CA GLY A 105 2.879 -7.963 -8.392 1.00 0.00 C ATOM 1606 C GLY A 105 3.629 -7.359 -7.203 1.00 0.00 C ATOM 1607 O GLY A 105 4.498 -6.507 -7.380 1.00 0.00 O ATOM 0 H GLY A 105 2.167 -6.512 -9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.830 -8.106 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.287 -8.947 -8.622 1.00 0.00 H new ATOM 1611 N ILE A 106 3.266 -7.825 -6.018 1.00 0.00 N ATOM 1612 CA ILE A 106 3.893 -7.341 -4.799 1.00 0.00 C ATOM 1613 C ILE A 106 5.407 -7.253 -5.010 1.00 0.00 C ATOM 1614 O ILE A 106 6.080 -6.447 -4.370 1.00 0.00 O ATOM 1615 CB ILE A 106 3.489 -8.212 -3.607 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.148 -7.758 -3.027 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.593 -8.236 -2.547 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.314 -6.489 -2.190 1.00 0.00 C ATOM 0 H ILE A 106 2.546 -8.533 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 106 3.544 -6.336 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 106 3.358 -9.235 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.441 -7.574 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.727 -8.552 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.281 -8.862 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.507 -8.641 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.779 -7.222 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.346 -6.188 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.002 -6.683 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.712 -5.690 -2.815 1.00 0.00 H new ATOM 1630 N ARG A 107 5.896 -8.092 -5.912 1.00 0.00 N ATOM 1631 CA ARG A 107 7.317 -8.117 -6.216 1.00 0.00 C ATOM 1632 C ARG A 107 7.886 -6.697 -6.210 1.00 0.00 C ATOM 1633 O ARG A 107 9.000 -6.473 -5.738 1.00 0.00 O ATOM 1634 CB ARG A 107 7.577 -8.758 -7.581 1.00 0.00 C ATOM 1635 CG ARG A 107 8.986 -9.351 -7.649 1.00 0.00 C ATOM 1636 CD ARG A 107 9.119 -10.314 -8.829 1.00 0.00 C ATOM 1637 NE ARG A 107 8.661 -11.665 -8.435 1.00 0.00 N ATOM 1638 CZ ARG A 107 8.451 -12.669 -9.297 1.00 0.00 C ATOM 1639 NH1 ARG A 107 8.657 -12.481 -10.608 1.00 0.00 N ATOM 1640 NH2 ARG A 107 8.035 -13.861 -8.850 1.00 0.00 N ATOM 0 H ARG A 107 5.334 -8.759 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 107 7.810 -8.713 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.840 -9.540 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.454 -8.012 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.718 -8.549 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.209 -9.876 -6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 107 8.530 -9.953 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 107 10.157 -10.355 -9.160 1.00 0.00 H new ATOM 0 HE ARG A 107 8.495 -11.843 -7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.974 -11.574 -10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.497 -13.245 -11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.878 -14.005 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.875 -14.625 -9.507 1.00 0.00 H new ATOM 1654 N ALA A 108 7.097 -5.775 -6.742 1.00 0.00 N ATOM 1655 CA ALA A 108 7.510 -4.384 -6.804 1.00 0.00 C ATOM 1656 C ALA A 108 8.200 -4.000 -5.493 1.00 0.00 C ATOM 1657 O ALA A 108 9.172 -3.248 -5.496 1.00 0.00 O ATOM 1658 CB ALA A 108 6.293 -3.503 -7.101 1.00 0.00 C ATOM 0 H ALA A 108 6.174 -5.964 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 108 8.228 -4.234 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.602 -2.459 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.857 -3.795 -8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.553 -3.627 -6.311 1.00 0.00 H new ATOM 1664 N TRP A 109 7.668 -4.536 -4.404 1.00 0.00 N ATOM 1665 CA TRP A 109 8.220 -4.260 -3.088 1.00 0.00 C ATOM 1666 C TRP A 109 9.207 -5.379 -2.746 1.00 0.00 C ATOM 1667 O TRP A 109 9.007 -6.112 -1.779 1.00 0.00 O ATOM 1668 CB TRP A 109 7.109 -4.104 -2.049 1.00 0.00 C ATOM 1669 CG TRP A 109 6.175 -2.921 -2.310 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.357 -1.636 -1.976 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.896 -2.966 -2.978 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.294 -0.854 -2.379 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.378 -1.688 -3.008 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.200 -4.052 -3.540 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.142 -1.375 -3.586 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.967 -3.723 -4.114 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.432 -2.441 -4.151 1.00 0.00 C ATOM 0 H TRP A 109 6.861 -5.160 -4.406 1.00 0.00 H new ATOM 0 HA TRP A 109 8.755 -3.310 -3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.519 -5.020 -2.022 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.561 -3.987 -1.064 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.226 -1.260 -1.457 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.198 0.152 -2.241 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.587 -5.060 -3.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.757 -0.366 -3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.391 -4.521 -4.559 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.472 -2.268 -4.614 1.00 0.00 H new ATOM 1688 N VAL A 110 10.249 -5.474 -3.558 1.00 0.00 N ATOM 1689 CA VAL A 110 11.267 -6.491 -3.353 1.00 0.00 C ATOM 1690 C VAL A 110 11.605 -6.575 -1.863 1.00 0.00 C ATOM 1691 O VAL A 110 12.014 -7.627 -1.374 1.00 0.00 O ATOM 1692 CB VAL A 110 12.487 -6.195 -4.227 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.160 -4.888 -3.804 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.480 -7.358 -4.195 1.00 0.00 C ATOM 0 H VAL A 110 10.411 -4.864 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 110 10.896 -7.469 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 110 12.142 -6.077 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.024 -4.701 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.452 -4.065 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.484 -4.965 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.338 -7.121 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.816 -7.522 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.995 -8.261 -4.567 1.00 0.00 H new ATOM 1704 N ALA A 111 11.422 -5.453 -1.183 1.00 0.00 N ATOM 1705 CA ALA A 111 11.702 -5.386 0.241 1.00 0.00 C ATOM 1706 C ALA A 111 11.065 -6.589 0.938 1.00 0.00 C ATOM 1707 O ALA A 111 11.712 -7.261 1.740 1.00 0.00 O ATOM 1708 CB ALA A 111 11.197 -4.054 0.799 1.00 0.00 C ATOM 0 H ALA A 111 11.083 -4.582 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 111 12.776 -5.429 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.407 -4.004 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.701 -3.232 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.122 -3.976 0.637 1.00 0.00 H new ATOM 1714 N TRP A 112 9.803 -6.824 0.609 1.00 0.00 N ATOM 1715 CA TRP A 112 9.072 -7.935 1.195 1.00 0.00 C ATOM 1716 C TRP A 112 9.786 -9.230 0.804 1.00 0.00 C ATOM 1717 O TRP A 112 9.802 -10.190 1.573 1.00 0.00 O ATOM 1718 CB TRP A 112 7.603 -7.910 0.767 1.00 0.00 C ATOM 1719 CG TRP A 112 7.063 -9.268 0.315 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.253 -10.099 0.985 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.329 -9.923 -0.944 1.00 0.00 C ATOM 1722 NE1 TRP A 112 5.979 -11.237 0.255 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.654 -11.127 -0.956 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.113 -9.512 -2.036 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 6.695 -12.018 -2.035 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.145 -10.414 -3.106 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.471 -11.630 -3.134 1.00 0.00 C ATOM 0 H TRP A 112 9.268 -6.264 -0.055 1.00 0.00 H new ATOM 0 HA TRP A 112 9.061 -7.859 2.282 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.999 -7.549 1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.484 -7.194 -0.047 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.863 -9.902 1.973 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.390 -12.016 0.549 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.648 -8.574 -2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.157 -12.954 -2.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 8.735 -10.147 -3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.546 -12.272 -3.999 1.00 0.00 H new ATOM 1738 N ARG A 113 10.358 -9.215 -0.391 1.00 0.00 N ATOM 1739 CA ARG A 113 11.072 -10.377 -0.892 1.00 0.00 C ATOM 1740 C ARG A 113 12.299 -10.663 -0.023 1.00 0.00 C ATOM 1741 O ARG A 113 12.873 -11.748 -0.091 1.00 0.00 O ATOM 1742 CB ARG A 113 11.520 -10.166 -2.341 1.00 0.00 C ATOM 1743 CG ARG A 113 11.788 -11.504 -3.033 1.00 0.00 C ATOM 1744 CD ARG A 113 13.290 -11.777 -3.135 1.00 0.00 C ATOM 1745 NE ARG A 113 13.804 -11.297 -4.438 1.00 0.00 N ATOM 1746 CZ ARG A 113 15.079 -11.414 -4.831 1.00 0.00 C ATOM 1747 NH1 ARG A 113 15.978 -11.995 -4.025 1.00 0.00 N ATOM 1748 NH2 ARG A 113 15.455 -10.951 -6.031 1.00 0.00 N ATOM 0 H ARG A 113 10.342 -8.417 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 113 10.390 -11.226 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.752 -9.618 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.422 -9.555 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.305 -12.308 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.347 -11.497 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.815 -11.277 -2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.482 -12.845 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 113 13.146 -10.849 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.691 -12.348 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.949 -12.084 -4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.770 -10.510 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.426 -11.040 -6.331 1.00 0.00 H new ATOM 1762 N ALA A 114 12.665 -9.668 0.773 1.00 0.00 N ATOM 1763 CA ALA A 114 13.812 -9.799 1.654 1.00 0.00 C ATOM 1764 C ALA A 114 13.393 -9.459 3.085 1.00 0.00 C ATOM 1765 O ALA A 114 14.191 -8.937 3.862 1.00 0.00 O ATOM 1766 CB ALA A 114 14.947 -8.904 1.151 1.00 0.00 C ATOM 0 H ALA A 114 12.187 -8.768 0.826 1.00 0.00 H new ATOM 0 HA ALA A 114 14.180 -10.825 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.808 -9.002 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.228 -9.205 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.614 -7.866 1.140 1.00 0.00 H new ATOM 1772 N HIS A 115 12.141 -9.769 3.390 1.00 0.00 N ATOM 1773 CA HIS A 115 11.605 -9.502 4.714 1.00 0.00 C ATOM 1774 C HIS A 115 10.532 -10.538 5.052 1.00 0.00 C ATOM 1775 O HIS A 115 10.517 -11.088 6.152 1.00 0.00 O ATOM 1776 CB HIS A 115 11.093 -8.063 4.814 1.00 0.00 C ATOM 1777 CG HIS A 115 11.661 -7.289 5.979 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.894 -6.893 7.061 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.927 -6.843 6.221 1.00 0.00 C ATOM 1780 CE1 HIS A 115 11.673 -6.238 7.909 1.00 0.00 C ATOM 1781 NE2 HIS A 115 12.933 -6.208 7.387 1.00 0.00 N ATOM 0 H HIS A 115 11.483 -10.203 2.743 1.00 0.00 H new ATOM 0 HA HIS A 115 12.398 -9.596 5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.334 -7.537 3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.006 -8.080 4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.780 -6.983 5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 115 11.365 -5.804 8.849 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.746 -5.770 7.821 1.00 0.00 H new ATOM 1790 N CYS A 116 9.658 -10.775 4.084 1.00 0.00 N ATOM 1791 CA CYS A 116 8.583 -11.736 4.265 1.00 0.00 C ATOM 1792 C CYS A 116 9.092 -13.112 3.835 1.00 0.00 C ATOM 1793 O CYS A 116 9.036 -14.068 4.607 1.00 0.00 O ATOM 1794 CB CYS A 116 7.324 -11.327 3.497 1.00 0.00 C ATOM 1795 SG CYS A 116 5.856 -11.012 4.541 1.00 0.00 S ATOM 0 H CYS A 116 9.673 -10.318 3.172 1.00 0.00 H new ATOM 0 HA CYS A 116 8.294 -11.769 5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.543 -10.427 2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.081 -12.112 2.781 1.00 0.00 H new ATOM 1800 N GLN A 117 9.579 -13.170 2.603 1.00 0.00 N ATOM 1801 CA GLN A 117 10.097 -14.414 2.062 1.00 0.00 C ATOM 1802 C GLN A 117 11.440 -14.757 2.709 1.00 0.00 C ATOM 1803 O GLN A 117 12.440 -14.938 2.016 1.00 0.00 O ATOM 1804 CB GLN A 117 10.227 -14.337 0.538 1.00 0.00 C ATOM 1805 CG GLN A 117 9.186 -15.225 -0.147 1.00 0.00 C ATOM 1806 CD GLN A 117 7.766 -14.805 0.242 1.00 0.00 C ATOM 1807 OE1 GLN A 117 7.491 -14.419 1.366 1.00 0.00 O ATOM 1808 NE2 GLN A 117 6.883 -14.901 -0.748 1.00 0.00 N ATOM 0 H GLN A 117 9.625 -12.375 1.965 1.00 0.00 H new ATOM 0 HA GLN A 117 9.390 -15.210 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.102 -13.305 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.228 -14.647 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 117 9.304 -15.162 -1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.351 -16.266 0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.180 -15.232 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.909 -14.644 -0.589 1.00 0.00 H new ATOM 1817 N ASN A 118 11.420 -14.835 4.032 1.00 0.00 N ATOM 1818 CA ASN A 118 12.624 -15.152 4.782 1.00 0.00 C ATOM 1819 C ASN A 118 12.245 -15.936 6.039 1.00 0.00 C ATOM 1820 O ASN A 118 12.603 -17.104 6.178 1.00 0.00 O ATOM 1821 CB ASN A 118 13.351 -13.879 5.218 1.00 0.00 C ATOM 1822 CG ASN A 118 14.868 -14.078 5.193 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.380 -15.172 5.371 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.556 -12.963 4.963 1.00 0.00 N ATOM 0 H ASN A 118 10.589 -14.684 4.604 1.00 0.00 H new ATOM 0 HA ASN A 118 13.279 -15.738 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.078 -13.056 4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.034 -13.601 6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.575 -12.991 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.065 -12.080 4.823 1.00 0.00 H new ATOM 1831 N ARG A 119 11.525 -15.262 6.923 1.00 0.00 N ATOM 1832 CA ARG A 119 11.093 -15.880 8.165 1.00 0.00 C ATOM 1833 C ARG A 119 9.565 -15.896 8.247 1.00 0.00 C ATOM 1834 O ARG A 119 8.884 -15.576 7.274 1.00 0.00 O ATOM 1835 CB ARG A 119 11.654 -15.134 9.377 1.00 0.00 C ATOM 1836 CG ARG A 119 12.093 -16.112 10.468 1.00 0.00 C ATOM 1837 CD ARG A 119 11.963 -15.480 11.855 1.00 0.00 C ATOM 1838 NE ARG A 119 11.977 -16.533 12.895 1.00 0.00 N ATOM 1839 CZ ARG A 119 13.058 -17.255 13.218 1.00 0.00 C ATOM 1840 NH1 ARG A 119 14.219 -17.042 12.585 1.00 0.00 N ATOM 1841 NH2 ARG A 119 12.979 -18.191 14.175 1.00 0.00 N ATOM 0 H ARG A 119 11.230 -14.293 6.804 1.00 0.00 H new ATOM 0 HA ARG A 119 11.472 -16.902 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.502 -14.521 9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.898 -14.457 9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.485 -17.015 10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.127 -16.413 10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 119 12.782 -14.781 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 119 11.037 -14.908 11.918 1.00 0.00 H new ATOM 0 HE ARG A 119 11.109 -16.721 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 119 14.280 -16.330 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 119 15.042 -17.592 12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 119 12.095 -18.354 14.658 1.00 0.00 H new ATOM 0 HH22 ARG A 119 13.803 -18.740 14.420 1.00 0.00 H new ATOM 1855 N ASP A 120 9.071 -16.273 9.418 1.00 0.00 N ATOM 1856 CA ASP A 120 7.636 -16.335 9.639 1.00 0.00 C ATOM 1857 C ASP A 120 7.153 -14.995 10.197 1.00 0.00 C ATOM 1858 O ASP A 120 7.257 -14.745 11.397 1.00 0.00 O ATOM 1859 CB ASP A 120 7.282 -17.425 10.653 1.00 0.00 C ATOM 1860 CG ASP A 120 5.797 -17.786 10.722 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.309 -18.371 9.731 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.184 -17.469 11.764 1.00 0.00 O ATOM 0 H ASP A 120 9.639 -16.538 10.223 1.00 0.00 H new ATOM 0 HA ASP A 120 7.157 -16.560 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.848 -18.324 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.608 -17.101 11.641 1.00 0.00 H new ATOM 1867 N LEU A 121 6.634 -14.170 9.300 1.00 0.00 N ATOM 1868 CA LEU A 121 6.133 -12.861 9.688 1.00 0.00 C ATOM 1869 C LEU A 121 4.639 -12.965 10.002 1.00 0.00 C ATOM 1870 O LEU A 121 3.955 -11.949 10.120 1.00 0.00 O ATOM 1871 CB LEU A 121 6.467 -11.821 8.617 1.00 0.00 C ATOM 1872 CG LEU A 121 6.471 -10.362 9.078 1.00 0.00 C ATOM 1873 CD1 LEU A 121 5.068 -9.759 9.003 1.00 0.00 C ATOM 1874 CD2 LEU A 121 7.078 -10.231 10.476 1.00 0.00 C ATOM 0 H LEU A 121 6.549 -14.382 8.306 1.00 0.00 H new ATOM 0 HA LEU A 121 6.626 -12.517 10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.449 -12.054 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.749 -11.922 7.803 1.00 0.00 H new ATOM 0 HG LEU A 121 7.103 -9.791 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.100 -8.722 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.709 -9.799 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.394 -10.326 9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.069 -9.184 10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.493 -10.819 11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.105 -10.596 10.462 1.00 0.00 H new ATOM 1886 N SER A 122 4.177 -14.199 10.129 1.00 0.00 N ATOM 1887 CA SER A 122 2.777 -14.449 10.427 1.00 0.00 C ATOM 1888 C SER A 122 2.490 -14.129 11.895 1.00 0.00 C ATOM 1889 O SER A 122 1.360 -13.802 12.254 1.00 0.00 O ATOM 1890 CB SER A 122 2.396 -15.897 10.114 1.00 0.00 C ATOM 1891 OG SER A 122 1.769 -16.021 8.841 1.00 0.00 O ATOM 0 H SER A 122 4.748 -15.038 10.031 1.00 0.00 H new ATOM 0 HA SER A 122 2.172 -13.799 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.290 -16.521 10.140 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.724 -16.270 10.887 1.00 0.00 H new ATOM 0 HG SER A 122 1.543 -16.960 8.678 1.00 0.00 H new ATOM 1897 N GLN A 123 3.533 -14.234 12.706 1.00 0.00 N ATOM 1898 CA GLN A 123 3.407 -13.961 14.127 1.00 0.00 C ATOM 1899 C GLN A 123 3.010 -12.500 14.353 1.00 0.00 C ATOM 1900 O GLN A 123 2.581 -12.132 15.446 1.00 0.00 O ATOM 1901 CB GLN A 123 4.703 -14.298 14.867 1.00 0.00 C ATOM 1902 CG GLN A 123 4.549 -14.071 16.372 1.00 0.00 C ATOM 1903 CD GLN A 123 5.440 -12.922 16.847 1.00 0.00 C ATOM 1904 OE1 GLN A 123 6.328 -12.460 16.149 1.00 0.00 O ATOM 1905 NE2 GLN A 123 5.153 -12.485 18.071 1.00 0.00 N ATOM 0 H GLN A 123 4.469 -14.505 12.405 1.00 0.00 H new ATOM 0 HA GLN A 123 2.620 -14.598 14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.974 -15.337 14.678 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.516 -13.681 14.484 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.508 -13.849 16.605 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.808 -14.983 16.909 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.396 -12.916 18.602 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.690 -11.719 18.478 1.00 0.00 H new ATOM 1914 N TYR A 124 3.168 -11.708 13.303 1.00 0.00 N ATOM 1915 CA TYR A 124 2.831 -10.296 13.374 1.00 0.00 C ATOM 1916 C TYR A 124 1.323 -10.084 13.229 1.00 0.00 C ATOM 1917 O TYR A 124 0.748 -9.221 13.891 1.00 0.00 O ATOM 1918 CB TYR A 124 3.543 -9.634 12.192 1.00 0.00 C ATOM 1919 CG TYR A 124 4.157 -8.272 12.520 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.220 -8.188 13.396 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.648 -7.128 11.940 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.798 -6.905 13.706 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.227 -5.846 12.249 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.273 -5.798 13.117 1.00 0.00 C ATOM 1925 OH TYR A 124 5.820 -4.586 13.408 1.00 0.00 O ATOM 0 H TYR A 124 3.525 -12.017 12.399 1.00 0.00 H new ATOM 0 HA TYR A 124 3.133 -9.877 14.334 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.329 -10.299 11.836 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.833 -9.513 11.374 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.619 -9.084 13.849 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.816 -7.194 11.255 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.629 -6.825 14.391 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.839 -4.943 11.801 1.00 0.00 H new ATOM 0 HH TYR A 124 6.772 -4.697 13.613 1.00 0.00 H new ATOM 1935 N ILE A 125 0.725 -10.886 12.362 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.705 -10.797 12.121 1.00 0.00 C ATOM 1937 C ILE A 125 -1.437 -11.745 13.074 1.00 0.00 C ATOM 1938 O ILE A 125 -2.552 -11.456 13.507 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.018 -11.047 10.645 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.719 -12.498 10.260 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.276 -10.052 9.751 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.966 -13.184 9.698 1.00 0.00 C ATOM 0 H ILE A 125 1.205 -11.602 11.817 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.065 -9.790 12.332 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.085 -10.886 10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.080 -12.524 9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.362 -13.044 11.133 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.516 -10.252 8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.581 -9.037 10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.798 -10.157 9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.726 -14.214 9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.755 -13.178 10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.306 -12.650 8.811 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.781 -12.855 13.374 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.355 -13.847 14.268 1.00 0.00 C ATOM 1956 C ARG A 126 -1.223 -13.390 15.722 1.00 0.00 C ATOM 1957 O ARG A 126 -0.139 -13.452 16.300 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.667 -15.203 14.102 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.371 -16.280 14.929 1.00 0.00 C ATOM 1960 CD ARG A 126 -2.824 -16.452 14.482 1.00 0.00 C ATOM 1961 NE ARG A 126 -3.411 -17.652 15.119 1.00 0.00 N ATOM 1962 CZ ARG A 126 -3.105 -18.911 14.775 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -2.217 -19.142 13.799 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -3.686 -19.938 15.408 1.00 0.00 N ATOM 0 H ARG A 126 0.144 -13.090 13.014 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.409 -13.954 14.011 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.668 -15.489 13.050 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.376 -15.126 14.411 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.841 -17.227 14.827 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.341 -16.010 15.985 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.403 -15.568 14.750 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.871 -16.546 13.397 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.091 -17.512 15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.773 -18.360 13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.984 -20.100 13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.361 -19.762 16.152 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.453 -20.896 15.146 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.342 -12.941 16.272 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.365 -12.474 17.647 1.00 0.00 C ATOM 1980 C ASN A 127 -3.623 -11.632 17.875 1.00 0.00 C ATOM 1981 O ASN A 127 -4.122 -11.546 18.995 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.148 -11.598 17.952 1.00 0.00 C ATOM 1983 CG ASN A 127 -0.263 -12.242 19.021 1.00 0.00 C ATOM 1984 OD1 ASN A 127 0.803 -12.768 18.747 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -0.762 -12.171 20.251 1.00 0.00 N ATOM 0 H ASN A 127 -3.239 -12.891 15.790 1.00 0.00 H new ATOM 0 HA ASN A 127 -2.353 -13.347 18.299 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -0.570 -11.443 17.041 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.478 -10.616 18.291 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.246 -12.571 21.035 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -1.661 -11.716 20.411 1.00 0.00 H new ATOM 1992 N CYS A 128 -4.097 -11.031 16.793 1.00 0.00 N ATOM 1993 CA CYS A 128 -5.286 -10.200 16.861 1.00 0.00 C ATOM 1994 C CYS A 128 -6.506 -11.114 16.996 1.00 0.00 C ATOM 1995 O CYS A 128 -7.546 -10.696 17.500 1.00 0.00 O ATOM 1996 CB CYS A 128 -5.399 -9.274 15.648 1.00 0.00 C ATOM 1997 SG CYS A 128 -5.855 -7.546 16.040 1.00 0.00 S ATOM 0 H CYS A 128 -3.679 -11.103 15.865 1.00 0.00 H new ATOM 0 HA CYS A 128 -5.225 -9.546 17.731 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.445 -9.272 15.120 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -6.141 -9.684 14.964 1.00 0.00 H new ATOM 2002 N GLY A 129 -6.336 -12.345 16.538 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.409 -13.323 16.602 1.00 0.00 C ATOM 2004 C GLY A 129 -8.009 -13.569 15.216 1.00 0.00 C ATOM 2005 O GLY A 129 -9.204 -13.833 15.091 1.00 0.00 O ATOM 0 H GLY A 129 -5.471 -12.688 16.121 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.028 -14.260 17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.186 -12.972 17.282 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.152 -13.475 14.210 1.00 0.00 N ATOM 2010 CA VAL A 130 -7.583 -13.685 12.838 1.00 0.00 C ATOM 2011 C VAL A 130 -7.438 -15.166 12.483 1.00 0.00 C ATOM 2012 O VAL A 130 -6.944 -15.954 13.287 1.00 0.00 O ATOM 2013 CB VAL A 130 -6.800 -12.765 11.898 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -6.815 -13.305 10.466 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.343 -11.336 11.952 1.00 0.00 C ATOM 0 H VAL A 130 -6.162 -13.256 14.317 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.636 -13.426 12.724 1.00 0.00 H new ATOM 0 HB VAL A 130 -5.764 -12.742 12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -6.252 -12.633 9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.360 -14.295 10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.844 -13.372 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.769 -10.703 11.275 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.391 -11.333 11.651 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.257 -10.952 12.968 1.00 0.00 H new