USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 692 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 71 ASN : amide:sc= 1.03 K(o=0.11,f=-5.6!) USER MOD Set 1.2: A 98 GLN : amide:sc= -0.922 K(o=0.11,f=-1.4!) USER MOD Set 2.1: A 85 GLN : amide:sc= -3.59! K(o=-3.8!,f=-1.6) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= -0.193 USER MOD Set 3.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 9 TYR OH : rot 180:sc= 0.288 USER MOD Set 4.2: A 40 LYS NZ :NH3+ 159:sc= 0.156 (180deg=-0.102) USER MOD Set 5.1: A 13 TYR OH : rot -179:sc= -0.752 USER MOD Set 5.2: A 20 HIS : no HD1:sc= -5.09! K(o=-5.8!,f=-2.9) USER MOD Set 6.1: A 8 SER OG : rot -137:sc= 1.42 USER MOD Set 6.2: A 10 TYR OH : rot 180:sc= 0.141 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -74:sc= 1.25 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.246 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc=-5.28e-05 USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.917 USER MOD Single : A 38 SER OG : rot -113:sc= 1.18 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.247 K(o=-0.25,f=-0.86) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 35:sc= 0.175 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.07) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0655 X(o=-0.065,f=-0.065) USER MOD Single : A 62 ASN : amide:sc= 0.32 K(o=0.32,f=-2.1!) USER MOD Single : A 67 SER OG : rot 36:sc= 0.98 USER MOD Single : A 68 TYR OH : rot -138:sc= 0.224 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= -0.0116 (180deg=-0.0585) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -22.942 2.264 -10.107 1.00 0.00 N ATOM 75 CA VAL A 7 -22.214 2.471 -8.870 1.00 0.00 C ATOM 76 C VAL A 7 -21.043 3.421 -9.141 1.00 0.00 C ATOM 77 O VAL A 7 -20.258 3.209 -10.064 1.00 0.00 O ATOM 78 CB VAL A 7 -21.827 1.114 -8.257 1.00 0.00 C ATOM 79 CG1 VAL A 7 -20.905 0.242 -9.117 1.00 0.00 C ATOM 80 CG2 VAL A 7 -21.173 1.307 -6.892 1.00 0.00 C ATOM 0 HA VAL A 7 -22.830 2.956 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.774 0.579 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.694 -0.691 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -21.393 0.023 -10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -19.971 0.773 -9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.907 0.336 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -20.274 1.913 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.870 1.810 -6.222 1.00 0.00 H new ATOM 90 N SER A 8 -20.919 4.462 -8.322 1.00 0.00 N ATOM 91 CA SER A 8 -19.741 5.308 -8.287 1.00 0.00 C ATOM 92 C SER A 8 -18.710 4.548 -7.465 1.00 0.00 C ATOM 93 O SER A 8 -19.022 4.148 -6.342 1.00 0.00 O ATOM 94 CB SER A 8 -20.080 6.633 -7.591 1.00 0.00 C ATOM 95 OG SER A 8 -19.243 7.684 -8.029 1.00 0.00 O ATOM 0 H SER A 8 -21.643 4.740 -7.660 1.00 0.00 H new ATOM 0 HA SER A 8 -19.374 5.534 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.121 6.891 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.979 6.513 -6.512 1.00 0.00 H new ATOM 0 HG SER A 8 -18.961 8.220 -7.259 1.00 0.00 H new ATOM 101 N TYR A 9 -17.500 4.342 -7.971 1.00 0.00 N ATOM 102 CA TYR A 9 -16.359 4.000 -7.132 1.00 0.00 C ATOM 103 C TYR A 9 -15.407 5.176 -7.063 1.00 0.00 C ATOM 104 O TYR A 9 -15.291 5.953 -8.014 1.00 0.00 O ATOM 105 CB TYR A 9 -15.630 2.779 -7.677 1.00 0.00 C ATOM 106 CG TYR A 9 -16.101 1.472 -7.083 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.443 1.078 -7.178 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.189 0.677 -6.378 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.862 -0.130 -6.591 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.578 -0.544 -5.807 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.932 -0.944 -5.900 1.00 0.00 C ATOM 112 OH TYR A 9 -17.371 -2.023 -5.198 1.00 0.00 O ATOM 0 H TYR A 9 -17.283 4.407 -8.966 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.724 3.764 -6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.759 2.743 -8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.562 2.890 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.154 1.701 -7.701 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.167 1.010 -6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.895 -0.437 -6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.855 -1.169 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.607 -2.476 -4.783 1.00 0.00 H new ATOM 122 N TYR A 10 -14.682 5.231 -5.953 1.00 0.00 N ATOM 123 CA TYR A 10 -13.711 6.242 -5.623 1.00 0.00 C ATOM 124 C TYR A 10 -12.433 5.514 -5.216 1.00 0.00 C ATOM 125 O TYR A 10 -12.458 4.606 -4.378 1.00 0.00 O ATOM 126 CB TYR A 10 -14.263 7.136 -4.512 1.00 0.00 C ATOM 127 CG TYR A 10 -15.545 7.863 -4.883 1.00 0.00 C ATOM 128 CD1 TYR A 10 -15.472 9.084 -5.580 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.805 7.309 -4.570 1.00 0.00 C ATOM 130 CE1 TYR A 10 -16.646 9.756 -5.957 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.987 7.978 -4.939 1.00 0.00 C ATOM 132 CZ TYR A 10 -17.905 9.202 -5.635 1.00 0.00 C ATOM 133 OH TYR A 10 -19.049 9.839 -6.000 1.00 0.00 O ATOM 0 H TYR A 10 -14.768 4.525 -5.222 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.493 6.898 -6.466 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.446 6.527 -3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.505 7.872 -4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.509 9.506 -5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.862 6.367 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.587 10.693 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.950 7.557 -4.691 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.823 9.319 -5.700 1.00 0.00 H new ATOM 143 N PHE A 11 -11.339 5.859 -5.884 1.00 0.00 N ATOM 144 CA PHE A 11 -10.050 5.179 -5.852 1.00 0.00 C ATOM 145 C PHE A 11 -8.915 6.161 -6.189 1.00 0.00 C ATOM 146 O PHE A 11 -7.864 5.757 -6.691 1.00 0.00 O ATOM 147 CB PHE A 11 -10.112 3.970 -6.817 1.00 0.00 C ATOM 148 CG PHE A 11 -10.849 4.200 -8.132 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.490 5.260 -8.990 1.00 0.00 C ATOM 150 CD2 PHE A 11 -11.942 3.378 -8.473 1.00 0.00 C ATOM 151 CE1 PHE A 11 -11.233 5.512 -10.156 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.678 3.623 -9.646 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.329 4.697 -10.483 1.00 0.00 C ATOM 0 H PHE A 11 -11.328 6.671 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.834 4.804 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.092 3.660 -7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.589 3.140 -6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.640 5.881 -8.750 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.216 2.555 -7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.961 6.334 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.511 2.986 -9.904 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.903 4.895 -11.376 1.00 0.00 H new ATOM 163 N SER A 12 -9.136 7.462 -5.984 1.00 0.00 N ATOM 164 CA SER A 12 -8.167 8.515 -6.267 1.00 0.00 C ATOM 165 C SER A 12 -8.352 9.698 -5.306 1.00 0.00 C ATOM 166 O SER A 12 -9.298 9.711 -4.511 1.00 0.00 O ATOM 167 CB SER A 12 -8.250 8.907 -7.746 1.00 0.00 C ATOM 168 OG SER A 12 -9.463 9.526 -8.105 1.00 0.00 O ATOM 0 H SER A 12 -10.015 7.817 -5.608 1.00 0.00 H new ATOM 0 HA SER A 12 -7.156 8.148 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.426 9.581 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.114 8.014 -8.357 1.00 0.00 H new ATOM 0 HG SER A 12 -9.446 9.750 -9.059 1.00 0.00 H new ATOM 174 N TYR A 13 -7.466 10.692 -5.355 1.00 0.00 N ATOM 175 CA TYR A 13 -7.468 11.830 -4.441 1.00 0.00 C ATOM 176 C TYR A 13 -8.566 12.841 -4.769 1.00 0.00 C ATOM 177 O TYR A 13 -9.056 12.906 -5.903 1.00 0.00 O ATOM 178 CB TYR A 13 -6.126 12.547 -4.529 1.00 0.00 C ATOM 179 CG TYR A 13 -4.952 11.748 -4.020 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.341 10.766 -4.825 1.00 0.00 C ATOM 181 CD2 TYR A 13 -4.476 11.997 -2.721 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.272 10.011 -4.322 1.00 0.00 C ATOM 183 CE2 TYR A 13 -3.398 11.262 -2.220 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.827 10.245 -3.007 1.00 0.00 C ATOM 185 OH TYR A 13 -1.916 9.406 -2.479 1.00 0.00 O ATOM 0 H TYR A 13 -6.714 10.728 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.650 11.438 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.941 12.818 -5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.188 13.477 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.696 10.595 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.943 12.756 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.796 9.260 -4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.006 11.473 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.713 9.680 -1.560 1.00 0.00 H new ATOM 195 N ALA A 14 -8.902 13.672 -3.780 1.00 0.00 N ATOM 196 CA ALA A 14 -9.842 14.773 -3.950 1.00 0.00 C ATOM 197 C ALA A 14 -9.211 15.948 -4.696 1.00 0.00 C ATOM 198 O ALA A 14 -9.778 16.430 -5.676 1.00 0.00 O ATOM 199 CB ALA A 14 -10.389 15.223 -2.594 1.00 0.00 C ATOM 0 H ALA A 14 -8.525 13.596 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.670 14.409 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.089 16.046 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.902 14.390 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.566 15.555 -1.961 1.00 0.00 H new ATOM 205 N ASP A 15 -8.038 16.379 -4.244 1.00 0.00 N ATOM 206 CA ASP A 15 -7.264 17.495 -4.784 1.00 0.00 C ATOM 207 C ASP A 15 -5.801 17.060 -4.720 1.00 0.00 C ATOM 208 O ASP A 15 -4.955 17.636 -4.034 1.00 0.00 O ATOM 209 CB ASP A 15 -7.566 18.785 -4.010 1.00 0.00 C ATOM 210 CG ASP A 15 -6.691 19.952 -4.466 1.00 0.00 C ATOM 211 OD1 ASP A 15 -6.554 20.149 -5.691 1.00 0.00 O ATOM 212 OD2 ASP A 15 -6.106 20.628 -3.584 1.00 0.00 O ATOM 0 H ASP A 15 -7.576 15.937 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.525 17.729 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.616 19.048 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.411 18.612 -2.945 1.00 0.00 H new ATOM 217 N GLY A 16 -5.542 15.908 -5.337 1.00 0.00 N ATOM 218 CA GLY A 16 -4.220 15.292 -5.390 1.00 0.00 C ATOM 219 C GLY A 16 -4.015 14.388 -6.604 1.00 0.00 C ATOM 220 O GLY A 16 -2.963 13.767 -6.737 1.00 0.00 O ATOM 0 H GLY A 16 -6.259 15.368 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.463 16.076 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.063 14.709 -4.483 1.00 0.00 H new ATOM 224 N GLY A 17 -4.986 14.287 -7.511 1.00 0.00 N ATOM 225 CA GLY A 17 -4.874 13.503 -8.736 1.00 0.00 C ATOM 226 C GLY A 17 -4.947 12.010 -8.437 1.00 0.00 C ATOM 227 O GLY A 17 -5.963 11.542 -7.918 1.00 0.00 O ATOM 0 H GLY A 17 -5.886 14.756 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.673 13.779 -9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.932 13.732 -9.234 1.00 0.00 H new ATOM 231 N THR A 18 -3.902 11.250 -8.770 1.00 0.00 N ATOM 232 CA THR A 18 -3.897 9.787 -8.662 1.00 0.00 C ATOM 233 C THR A 18 -2.595 9.228 -8.077 1.00 0.00 C ATOM 234 O THR A 18 -2.434 8.010 -8.007 1.00 0.00 O ATOM 235 CB THR A 18 -4.260 9.134 -10.016 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.962 9.924 -11.149 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.755 8.845 -10.095 1.00 0.00 C ATOM 0 H THR A 18 -3.027 11.635 -9.126 1.00 0.00 H new ATOM 0 HA THR A 18 -4.671 9.520 -7.943 1.00 0.00 H new ATOM 0 HB THR A 18 -3.650 8.231 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.219 9.441 -11.962 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.987 8.386 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.037 8.165 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.312 9.777 -9.995 1.00 0.00 H new ATOM 245 N SER A 19 -1.676 10.084 -7.631 1.00 0.00 N ATOM 246 CA SER A 19 -0.496 9.677 -6.883 1.00 0.00 C ATOM 247 C SER A 19 0.012 10.851 -6.054 1.00 0.00 C ATOM 248 O SER A 19 -0.277 12.008 -6.359 1.00 0.00 O ATOM 249 CB SER A 19 0.589 9.205 -7.855 1.00 0.00 C ATOM 250 OG SER A 19 1.097 7.938 -7.484 1.00 0.00 O ATOM 0 H SER A 19 -1.735 11.091 -7.783 1.00 0.00 H new ATOM 0 HA SER A 19 -0.752 8.856 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.179 9.153 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.401 9.932 -7.878 1.00 0.00 H new ATOM 0 HG SER A 19 1.678 8.035 -6.701 1.00 0.00 H new ATOM 256 N HIS A 20 0.841 10.545 -5.065 1.00 0.00 N ATOM 257 CA HIS A 20 1.383 11.470 -4.088 1.00 0.00 C ATOM 258 C HIS A 20 2.883 11.587 -4.330 1.00 0.00 C ATOM 259 O HIS A 20 3.533 10.593 -4.667 1.00 0.00 O ATOM 260 CB HIS A 20 1.016 11.049 -2.648 1.00 0.00 C ATOM 261 CG HIS A 20 0.997 9.581 -2.226 1.00 0.00 C ATOM 262 ND1 HIS A 20 0.922 9.177 -0.911 1.00 0.00 N ATOM 263 CD2 HIS A 20 0.765 8.450 -2.979 1.00 0.00 C ATOM 264 CE1 HIS A 20 0.665 7.859 -0.883 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.592 7.365 -2.124 1.00 0.00 N ATOM 0 H HIS A 20 1.169 9.591 -4.918 1.00 0.00 H new ATOM 0 HA HIS A 20 0.940 12.459 -4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.710 11.561 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.023 11.450 -2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.724 8.412 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.535 7.278 0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.440 6.392 -2.390 1.00 0.00 H new ATOM 273 N THR A 21 3.407 12.801 -4.218 1.00 0.00 N ATOM 274 CA THR A 21 4.778 13.176 -4.505 1.00 0.00 C ATOM 275 C THR A 21 5.120 14.288 -3.521 1.00 0.00 C ATOM 276 O THR A 21 4.873 15.462 -3.796 1.00 0.00 O ATOM 277 CB THR A 21 4.939 13.621 -5.976 1.00 0.00 C ATOM 278 OG1 THR A 21 4.366 12.683 -6.876 1.00 0.00 O ATOM 279 CG2 THR A 21 6.412 13.811 -6.315 1.00 0.00 C ATOM 0 H THR A 21 2.849 13.595 -3.905 1.00 0.00 H new ATOM 0 HA THR A 21 5.461 12.335 -4.385 1.00 0.00 H new ATOM 0 HB THR A 21 4.411 14.568 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.485 12.998 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.509 14.124 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.840 14.574 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.943 12.871 -6.169 1.00 0.00 H new ATOM 287 N GLU A 22 5.624 13.917 -2.346 1.00 0.00 N ATOM 288 CA GLU A 22 5.920 14.877 -1.297 1.00 0.00 C ATOM 289 C GLU A 22 7.366 15.324 -1.453 1.00 0.00 C ATOM 290 O GLU A 22 8.243 14.488 -1.691 1.00 0.00 O ATOM 291 CB GLU A 22 5.659 14.243 0.080 1.00 0.00 C ATOM 292 CG GLU A 22 5.356 15.307 1.144 1.00 0.00 C ATOM 293 CD GLU A 22 3.938 15.863 0.989 1.00 0.00 C ATOM 294 OE1 GLU A 22 3.649 16.520 -0.034 1.00 0.00 O ATOM 295 OE2 GLU A 22 3.098 15.668 1.893 1.00 0.00 O ATOM 0 H GLU A 22 5.836 12.950 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 22 5.273 15.751 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.821 13.550 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.529 13.661 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.472 14.874 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.078 16.120 1.064 1.00 0.00 H new ATOM 302 N TYR A 23 7.643 16.621 -1.332 1.00 0.00 N ATOM 303 CA TYR A 23 8.982 17.169 -1.534 1.00 0.00 C ATOM 304 C TYR A 23 9.485 17.844 -0.241 1.00 0.00 C ATOM 305 O TYR A 23 9.682 19.061 -0.247 1.00 0.00 O ATOM 306 CB TYR A 23 8.962 18.133 -2.732 1.00 0.00 C ATOM 307 CG TYR A 23 8.646 17.516 -4.081 1.00 0.00 C ATOM 308 CD1 TYR A 23 9.666 16.909 -4.845 1.00 0.00 C ATOM 309 CD2 TYR A 23 7.340 17.608 -4.599 1.00 0.00 C ATOM 310 CE1 TYR A 23 9.388 16.463 -6.149 1.00 0.00 C ATOM 311 CE2 TYR A 23 7.063 17.179 -5.908 1.00 0.00 C ATOM 312 CZ TYR A 23 8.100 16.647 -6.705 1.00 0.00 C ATOM 313 OH TYR A 23 7.839 16.276 -7.987 1.00 0.00 O ATOM 0 H TYR A 23 6.943 17.323 -1.091 1.00 0.00 H new ATOM 0 HA TYR A 23 9.684 16.367 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.228 18.914 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.935 18.619 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.656 16.788 -4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.547 18.011 -3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.160 15.978 -6.728 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.061 17.256 -6.303 1.00 0.00 H new ATOM 0 HH TYR A 23 6.904 16.475 -8.201 1.00 0.00 H new ATOM 323 N PRO A 24 9.693 17.104 0.869 1.00 0.00 N ATOM 324 CA PRO A 24 10.237 17.674 2.098 1.00 0.00 C ATOM 325 C PRO A 24 11.732 18.003 1.952 1.00 0.00 C ATOM 326 O PRO A 24 12.309 17.913 0.863 1.00 0.00 O ATOM 327 CB PRO A 24 9.921 16.646 3.192 1.00 0.00 C ATOM 328 CG PRO A 24 9.977 15.324 2.445 1.00 0.00 C ATOM 329 CD PRO A 24 9.478 15.673 1.041 1.00 0.00 C ATOM 0 HA PRO A 24 9.790 18.635 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.649 16.683 4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.940 16.818 3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.990 14.922 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.346 14.571 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.020 15.106 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.423 15.423 0.931 1.00 0.00 H new ATOM 337 N ASP A 25 12.352 18.416 3.054 1.00 0.00 N ATOM 338 CA ASP A 25 13.686 18.980 3.164 1.00 0.00 C ATOM 339 C ASP A 25 14.569 18.069 4.022 1.00 0.00 C ATOM 340 O ASP A 25 14.281 16.881 4.160 1.00 0.00 O ATOM 341 CB ASP A 25 13.607 20.432 3.665 1.00 0.00 C ATOM 342 CG ASP A 25 13.067 20.561 5.091 1.00 0.00 C ATOM 343 OD1 ASP A 25 13.753 20.131 6.040 1.00 0.00 O ATOM 344 OD2 ASP A 25 11.969 21.143 5.231 1.00 0.00 O ATOM 0 H ASP A 25 11.894 18.358 3.964 1.00 0.00 H new ATOM 0 HA ASP A 25 14.162 19.027 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.601 20.877 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.970 21.006 2.991 1.00 0.00 H new ATOM 349 N ASP A 26 15.697 18.597 4.497 1.00 0.00 N ATOM 350 CA ASP A 26 16.735 17.875 5.227 1.00 0.00 C ATOM 351 C ASP A 26 16.225 17.307 6.562 1.00 0.00 C ATOM 352 O ASP A 26 16.905 16.454 7.140 1.00 0.00 O ATOM 353 CB ASP A 26 17.934 18.820 5.480 1.00 0.00 C ATOM 354 CG ASP A 26 19.128 18.613 4.540 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.937 18.524 3.309 1.00 0.00 O ATOM 356 OD2 ASP A 26 20.280 18.626 5.044 1.00 0.00 O ATOM 0 H ASP A 26 15.921 19.585 4.377 1.00 0.00 H new ATOM 0 HA ASP A 26 17.043 17.028 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.592 19.851 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 26 18.272 18.688 6.508 1.00 0.00 H new ATOM 361 N SER A 27 15.100 17.786 7.115 1.00 0.00 N ATOM 362 CA SER A 27 14.524 17.276 8.362 1.00 0.00 C ATOM 363 C SER A 27 12.997 17.488 8.428 1.00 0.00 C ATOM 364 O SER A 27 12.506 18.249 9.274 1.00 0.00 O ATOM 365 CB SER A 27 15.238 17.908 9.571 1.00 0.00 C ATOM 366 OG SER A 27 16.653 17.818 9.458 1.00 0.00 O ATOM 0 H SER A 27 14.561 18.547 6.702 1.00 0.00 H new ATOM 0 HA SER A 27 14.684 16.198 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.947 18.955 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.914 17.410 10.485 1.00 0.00 H new ATOM 0 HG SER A 27 17.071 18.231 10.243 1.00 0.00 H new ATOM 372 N SER A 28 12.224 16.835 7.551 1.00 0.00 N ATOM 373 CA SER A 28 10.761 16.969 7.548 1.00 0.00 C ATOM 374 C SER A 28 10.016 15.722 7.031 1.00 0.00 C ATOM 375 O SER A 28 8.863 15.790 6.582 1.00 0.00 O ATOM 376 CB SER A 28 10.396 18.275 6.813 1.00 0.00 C ATOM 377 OG SER A 28 9.144 18.809 7.213 1.00 0.00 O ATOM 0 H SER A 28 12.588 16.208 6.833 1.00 0.00 H new ATOM 0 HA SER A 28 10.410 17.037 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.175 19.016 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.378 18.087 5.739 1.00 0.00 H new ATOM 0 HG SER A 28 8.967 19.635 6.716 1.00 0.00 H new ATOM 383 N ALA A 29 10.645 14.556 7.133 1.00 0.00 N ATOM 384 CA ALA A 29 9.956 13.262 7.104 1.00 0.00 C ATOM 385 C ALA A 29 9.001 13.133 8.304 1.00 0.00 C ATOM 386 O ALA A 29 9.073 13.938 9.235 1.00 0.00 O ATOM 387 CB ALA A 29 10.992 12.133 7.113 1.00 0.00 C ATOM 0 H ALA A 29 11.656 14.477 7.239 1.00 0.00 H new ATOM 0 HA ALA A 29 9.362 13.192 6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.481 11.170 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.635 12.222 6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.598 12.202 8.017 1.00 0.00 H new ATOM 393 N GLY A 30 8.106 12.135 8.313 1.00 0.00 N ATOM 394 CA GLY A 30 7.215 11.904 9.439 1.00 0.00 C ATOM 395 C GLY A 30 6.010 11.072 9.030 1.00 0.00 C ATOM 396 O GLY A 30 6.111 10.229 8.134 1.00 0.00 O ATOM 0 H GLY A 30 7.986 11.476 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.757 11.395 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.880 12.860 9.842 1.00 0.00 H new ATOM 400 N SER A 31 4.885 11.248 9.725 1.00 0.00 N ATOM 401 CA SER A 31 3.663 10.465 9.565 1.00 0.00 C ATOM 402 C SER A 31 2.427 11.374 9.534 1.00 0.00 C ATOM 403 O SER A 31 1.956 11.830 10.585 1.00 0.00 O ATOM 404 CB SER A 31 3.554 9.397 10.662 1.00 0.00 C ATOM 405 OG SER A 31 4.820 8.852 11.021 1.00 0.00 O ATOM 0 H SER A 31 4.799 11.968 10.442 1.00 0.00 H new ATOM 0 HA SER A 31 3.710 9.949 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.087 9.834 11.545 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.901 8.595 10.320 1.00 0.00 H new ATOM 0 HG SER A 31 4.699 8.179 11.723 1.00 0.00 H new ATOM 411 N PHE A 32 1.909 11.641 8.332 1.00 0.00 N ATOM 412 CA PHE A 32 0.738 12.495 8.087 1.00 0.00 C ATOM 413 C PHE A 32 -0.420 11.737 7.416 1.00 0.00 C ATOM 414 O PHE A 32 -0.344 10.528 7.203 1.00 0.00 O ATOM 415 CB PHE A 32 1.177 13.751 7.316 1.00 0.00 C ATOM 416 CG PHE A 32 2.021 13.491 6.081 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.429 13.032 4.888 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.411 13.713 6.130 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.226 12.799 3.754 1.00 0.00 C ATOM 420 CE2 PHE A 32 4.204 13.492 4.991 1.00 0.00 C ATOM 421 CZ PHE A 32 3.611 13.035 3.803 1.00 0.00 C ATOM 0 H PHE A 32 2.304 11.258 7.473 1.00 0.00 H new ATOM 0 HA PHE A 32 0.329 12.815 9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.286 14.304 7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.740 14.394 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.364 12.859 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.869 14.054 7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.773 12.438 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.268 13.673 5.029 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.219 12.865 2.927 1.00 0.00 H new ATOM 431 N ILE A 33 -1.526 12.425 7.103 1.00 0.00 N ATOM 432 CA ILE A 33 -2.713 11.853 6.456 1.00 0.00 C ATOM 433 C ILE A 33 -3.026 12.709 5.216 1.00 0.00 C ATOM 434 O ILE A 33 -2.785 13.921 5.215 1.00 0.00 O ATOM 435 CB ILE A 33 -3.906 11.768 7.453 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.492 11.201 8.835 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.039 10.901 6.867 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.646 11.007 9.832 1.00 0.00 C ATOM 0 H ILE A 33 -1.622 13.422 7.298 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.528 10.827 6.139 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.255 12.789 7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.998 10.241 8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.757 11.871 9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.865 10.853 7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.389 11.342 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.666 9.895 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.255 10.607 10.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.129 11.966 10.021 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.374 10.311 9.415 1.00 0.00 H new ATOM 450 N LEU A 34 -3.568 12.082 4.169 1.00 0.00 N ATOM 451 CA LEU A 34 -3.870 12.657 2.857 1.00 0.00 C ATOM 452 C LEU A 34 -5.373 12.552 2.575 1.00 0.00 C ATOM 453 O LEU A 34 -6.106 11.898 3.326 1.00 0.00 O ATOM 454 CB LEU A 34 -3.086 11.884 1.782 1.00 0.00 C ATOM 455 CG LEU A 34 -1.556 11.982 1.910 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.872 10.924 1.041 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.057 13.355 1.472 1.00 0.00 C ATOM 0 H LEU A 34 -3.824 11.096 4.219 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.581 13.708 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.374 10.834 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.380 12.255 0.800 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.310 11.820 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.209 11.011 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.189 9.931 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.149 11.076 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.028 13.397 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.332 13.527 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.510 14.124 2.099 1.00 0.00 H new ATOM 469 N ASP A 35 -5.844 13.137 1.476 1.00 0.00 N ATOM 470 CA ASP A 35 -7.259 13.171 1.069 1.00 0.00 C ATOM 471 C ASP A 35 -7.510 12.138 -0.034 1.00 0.00 C ATOM 472 O ASP A 35 -8.005 12.417 -1.131 1.00 0.00 O ATOM 473 CB ASP A 35 -7.651 14.591 0.662 1.00 0.00 C ATOM 474 CG ASP A 35 -9.163 14.835 0.630 1.00 0.00 C ATOM 475 OD1 ASP A 35 -9.992 13.895 0.634 1.00 0.00 O ATOM 476 OD2 ASP A 35 -9.536 16.030 0.637 1.00 0.00 O ATOM 0 H ASP A 35 -5.234 13.620 0.816 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.898 12.897 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.194 15.296 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.238 14.802 -0.324 1.00 0.00 H new ATOM 481 N ILE A 36 -7.072 10.915 0.260 1.00 0.00 N ATOM 482 CA ILE A 36 -7.286 9.726 -0.549 1.00 0.00 C ATOM 483 C ILE A 36 -8.758 9.345 -0.411 1.00 0.00 C ATOM 484 O ILE A 36 -9.295 9.349 0.700 1.00 0.00 O ATOM 485 CB ILE A 36 -6.334 8.612 -0.050 1.00 0.00 C ATOM 486 CG1 ILE A 36 -4.889 9.013 -0.413 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.674 7.237 -0.647 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.808 8.157 0.242 1.00 0.00 C ATOM 0 H ILE A 36 -6.536 10.722 1.106 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.066 9.891 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.449 8.515 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.772 8.958 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.732 10.053 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.976 6.492 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.690 6.960 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.597 7.283 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.825 8.511 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.893 8.230 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.933 7.118 -0.062 1.00 0.00 H new ATOM 500 N THR A 37 -9.388 8.937 -1.511 1.00 0.00 N ATOM 501 CA THR A 37 -10.786 8.522 -1.525 1.00 0.00 C ATOM 502 C THR A 37 -10.851 7.026 -1.841 1.00 0.00 C ATOM 503 O THR A 37 -10.183 6.574 -2.774 1.00 0.00 O ATOM 504 CB THR A 37 -11.575 9.346 -2.552 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.092 10.675 -2.680 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.046 9.415 -2.167 1.00 0.00 C ATOM 0 H THR A 37 -8.937 8.885 -2.424 1.00 0.00 H new ATOM 0 HA THR A 37 -11.239 8.698 -0.549 1.00 0.00 H new ATOM 0 HB THR A 37 -11.446 8.836 -3.507 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.370 10.698 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.589 10.003 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.460 8.407 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.144 9.884 -1.188 1.00 0.00 H new ATOM 514 N SER A 38 -11.629 6.262 -1.069 1.00 0.00 N ATOM 515 CA SER A 38 -11.591 4.805 -1.089 1.00 0.00 C ATOM 516 C SER A 38 -12.970 4.263 -0.672 1.00 0.00 C ATOM 517 O SER A 38 -13.128 3.773 0.442 1.00 0.00 O ATOM 518 CB SER A 38 -10.441 4.376 -0.150 1.00 0.00 C ATOM 519 OG SER A 38 -9.977 3.059 -0.389 1.00 0.00 O ATOM 0 H SER A 38 -12.306 6.644 -0.409 1.00 0.00 H new ATOM 0 HA SER A 38 -11.394 4.395 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.610 5.072 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.779 4.452 0.883 1.00 0.00 H new ATOM 0 HG SER A 38 -10.188 2.493 0.383 1.00 0.00 H new ATOM 525 N TYR A 39 -14.000 4.363 -1.523 1.00 0.00 N ATOM 526 CA TYR A 39 -15.331 3.805 -1.239 1.00 0.00 C ATOM 527 C TYR A 39 -16.128 3.581 -2.526 1.00 0.00 C ATOM 528 O TYR A 39 -15.720 4.033 -3.597 1.00 0.00 O ATOM 529 CB TYR A 39 -16.119 4.710 -0.263 1.00 0.00 C ATOM 530 CG TYR A 39 -16.499 6.104 -0.737 1.00 0.00 C ATOM 531 CD1 TYR A 39 -15.616 7.173 -0.517 1.00 0.00 C ATOM 532 CD2 TYR A 39 -17.767 6.363 -1.295 1.00 0.00 C ATOM 533 CE1 TYR A 39 -15.973 8.485 -0.872 1.00 0.00 C ATOM 534 CE2 TYR A 39 -18.131 7.674 -1.657 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.221 8.739 -1.478 1.00 0.00 C ATOM 536 OH TYR A 39 -17.554 9.999 -1.873 1.00 0.00 O ATOM 0 H TYR A 39 -13.935 4.832 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.183 2.836 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -17.036 4.188 0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.528 4.815 0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.651 6.985 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -18.463 5.551 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -15.291 9.300 -0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -19.109 7.866 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.449 9.991 -2.272 1.00 0.00 H new ATOM 546 N LYS A 40 -17.298 2.939 -2.423 1.00 0.00 N ATOM 547 CA LYS A 40 -18.320 2.931 -3.475 1.00 0.00 C ATOM 548 C LYS A 40 -19.601 3.600 -3.003 1.00 0.00 C ATOM 549 O LYS A 40 -19.945 3.486 -1.828 1.00 0.00 O ATOM 550 CB LYS A 40 -18.571 1.508 -3.976 1.00 0.00 C ATOM 551 CG LYS A 40 -19.239 0.509 -3.015 1.00 0.00 C ATOM 552 CD LYS A 40 -20.704 0.206 -3.355 1.00 0.00 C ATOM 553 CE LYS A 40 -21.020 -1.295 -3.352 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.283 -2.105 -4.351 1.00 0.00 N ATOM 0 H LYS A 40 -17.564 2.404 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.947 3.514 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.189 1.574 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.613 1.088 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.674 -0.423 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.186 0.904 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.350 0.709 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.937 0.619 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.806 -1.691 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -22.089 -1.424 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.280 -3.102 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.748 -2.020 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.304 -1.762 -4.422 1.00 0.00 H new ATOM 568 N LYS A 41 -20.320 4.275 -3.902 1.00 0.00 N ATOM 569 CA LYS A 41 -21.593 4.947 -3.662 1.00 0.00 C ATOM 570 C LYS A 41 -22.631 4.393 -4.615 1.00 0.00 C ATOM 571 O LYS A 41 -22.389 4.310 -5.817 1.00 0.00 O ATOM 572 CB LYS A 41 -21.434 6.449 -3.904 1.00 0.00 C ATOM 573 CG LYS A 41 -22.587 7.288 -3.351 1.00 0.00 C ATOM 574 CD LYS A 41 -22.296 8.776 -3.572 1.00 0.00 C ATOM 575 CE LYS A 41 -23.212 9.607 -2.658 1.00 0.00 C ATOM 576 NZ LYS A 41 -23.067 11.058 -2.884 1.00 0.00 N ATOM 0 H LYS A 41 -20.010 4.371 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.907 4.779 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.502 6.784 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.348 6.628 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.519 7.013 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.718 7.087 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.250 8.992 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.465 9.042 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.249 9.318 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.984 9.380 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.704 11.574 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.084 11.342 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.310 11.282 -3.870 1.00 0.00 H new ATOM 590 N THR A 42 -23.785 4.036 -4.076 1.00 0.00 N ATOM 591 CA THR A 42 -24.959 3.584 -4.802 1.00 0.00 C ATOM 592 C THR A 42 -26.118 3.640 -3.794 1.00 0.00 C ATOM 593 O THR A 42 -25.890 3.892 -2.601 1.00 0.00 O ATOM 594 CB THR A 42 -24.677 2.202 -5.447 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.810 1.646 -6.081 1.00 0.00 O ATOM 596 CG2 THR A 42 -24.110 1.169 -4.466 1.00 0.00 C ATOM 0 H THR A 42 -23.935 4.055 -3.067 1.00 0.00 H new ATOM 0 HA THR A 42 -25.230 4.209 -5.653 1.00 0.00 H new ATOM 0 HB THR A 42 -23.917 2.420 -6.198 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.574 0.778 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.938 0.228 -4.988 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.168 1.534 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.820 1.010 -3.655 1.00 0.00 H new ATOM 604 N GLY A 43 -27.353 3.439 -4.260 1.00 0.00 N ATOM 605 CA GLY A 43 -28.572 3.446 -3.460 1.00 0.00 C ATOM 606 C GLY A 43 -28.620 4.626 -2.491 1.00 0.00 C ATOM 607 O GLY A 43 -28.851 5.756 -2.905 1.00 0.00 O ATOM 0 H GLY A 43 -27.534 3.260 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.438 3.485 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.641 2.514 -2.899 1.00 0.00 H new ATOM 611 N ASN A 44 -28.361 4.349 -1.207 1.00 0.00 N ATOM 612 CA ASN A 44 -28.515 5.284 -0.096 1.00 0.00 C ATOM 613 C ASN A 44 -27.340 5.186 0.899 1.00 0.00 C ATOM 614 O ASN A 44 -27.486 5.571 2.056 1.00 0.00 O ATOM 615 CB ASN A 44 -29.870 4.992 0.579 1.00 0.00 C ATOM 616 CG ASN A 44 -30.323 6.037 1.578 1.00 0.00 C ATOM 617 OD1 ASN A 44 -30.000 7.216 1.465 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.174 5.636 2.497 1.00 0.00 N ATOM 0 H ASN A 44 -28.027 3.433 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.501 6.309 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.632 4.896 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.807 4.029 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.585 6.312 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.423 4.649 2.566 1.00 0.00 H new ATOM 625 N SER A 45 -26.196 4.606 0.513 1.00 0.00 N ATOM 626 CA SER A 45 -25.071 4.357 1.419 1.00 0.00 C ATOM 627 C SER A 45 -23.732 4.527 0.697 1.00 0.00 C ATOM 628 O SER A 45 -23.698 4.755 -0.522 1.00 0.00 O ATOM 629 CB SER A 45 -25.233 2.939 1.987 1.00 0.00 C ATOM 630 OG SER A 45 -24.462 2.715 3.149 1.00 0.00 O ATOM 0 H SER A 45 -26.026 4.295 -0.443 1.00 0.00 H new ATOM 0 HA SER A 45 -25.073 5.083 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 45 -26.284 2.764 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.948 2.214 1.224 1.00 0.00 H new ATOM 0 HG SER A 45 -24.606 1.799 3.466 1.00 0.00 H new ATOM 636 N THR A 46 -22.636 4.369 1.442 1.00 0.00 N ATOM 637 CA THR A 46 -21.287 4.224 0.922 1.00 0.00 C ATOM 638 C THR A 46 -20.563 3.133 1.709 1.00 0.00 C ATOM 639 O THR A 46 -20.438 3.256 2.926 1.00 0.00 O ATOM 640 CB THR A 46 -20.491 5.543 0.956 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.403 6.120 2.241 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.051 6.615 0.022 1.00 0.00 C ATOM 0 H THR A 46 -22.672 4.338 2.461 1.00 0.00 H new ATOM 0 HA THR A 46 -21.360 3.941 -0.128 1.00 0.00 H new ATOM 0 HB THR A 46 -19.500 5.236 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.352 5.411 2.915 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.443 7.516 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 46 -21.033 6.249 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.078 6.846 0.307 1.00 0.00 H new ATOM 650 N LYS A 47 -20.082 2.086 1.032 1.00 0.00 N ATOM 651 CA LYS A 47 -19.254 1.036 1.632 1.00 0.00 C ATOM 652 C LYS A 47 -17.797 1.448 1.413 1.00 0.00 C ATOM 653 O LYS A 47 -17.408 1.636 0.256 1.00 0.00 O ATOM 654 CB LYS A 47 -19.631 -0.324 1.003 1.00 0.00 C ATOM 655 CG LYS A 47 -19.116 -1.566 1.757 1.00 0.00 C ATOM 656 CD LYS A 47 -17.663 -1.954 1.460 1.00 0.00 C ATOM 657 CE LYS A 47 -17.379 -2.431 0.031 1.00 0.00 C ATOM 658 NZ LYS A 47 -17.868 -3.798 -0.225 1.00 0.00 N ATOM 0 H LYS A 47 -20.259 1.942 0.038 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.414 0.918 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.717 -0.385 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.246 -0.353 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.216 -1.389 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -19.758 -2.412 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.027 -1.094 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.369 -2.743 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.847 -1.745 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.305 -2.394 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.504 -4.131 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.538 -4.432 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.908 -3.797 -0.246 1.00 0.00 H new ATOM 672 N ALA A 48 -17.030 1.661 2.486 1.00 0.00 N ATOM 673 CA ALA A 48 -15.635 2.094 2.403 1.00 0.00 C ATOM 674 C ALA A 48 -14.705 0.923 2.067 1.00 0.00 C ATOM 675 O ALA A 48 -15.013 -0.229 2.370 1.00 0.00 O ATOM 676 CB ALA A 48 -15.213 2.723 3.732 1.00 0.00 C ATOM 0 H ALA A 48 -17.363 1.537 3.442 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.555 2.829 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.174 3.045 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.847 3.584 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.317 1.989 4.531 1.00 0.00 H new ATOM 682 N LEU A 49 -13.533 1.213 1.508 1.00 0.00 N ATOM 683 CA LEU A 49 -12.520 0.223 1.145 1.00 0.00 C ATOM 684 C LEU A 49 -11.208 0.476 1.874 1.00 0.00 C ATOM 685 O LEU A 49 -10.700 1.604 1.859 1.00 0.00 O ATOM 686 CB LEU A 49 -12.260 0.256 -0.369 1.00 0.00 C ATOM 687 CG LEU A 49 -13.467 -0.125 -1.234 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.075 0.018 -2.710 1.00 0.00 C ATOM 689 CD2 LEU A 49 -13.946 -1.542 -0.910 1.00 0.00 C ATOM 0 H LEU A 49 -13.253 2.169 1.289 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.903 -0.755 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.933 1.258 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.438 -0.422 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.302 0.543 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.924 -0.250 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.785 1.049 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.237 -0.644 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.803 -1.789 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.141 -2.251 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.236 -1.597 0.139 1.00 0.00 H new ATOM 701 N SER A 50 -10.628 -0.589 2.427 1.00 0.00 N ATOM 702 CA SER A 50 -9.247 -0.615 2.874 1.00 0.00 C ATOM 703 C SER A 50 -8.312 -0.560 1.655 1.00 0.00 C ATOM 704 O SER A 50 -8.734 -0.734 0.499 1.00 0.00 O ATOM 705 CB SER A 50 -9.021 -1.876 3.732 1.00 0.00 C ATOM 706 OG SER A 50 -9.232 -3.059 2.979 1.00 0.00 O ATOM 0 H SER A 50 -11.119 -1.471 2.577 1.00 0.00 H new ATOM 0 HA SER A 50 -9.024 0.254 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.005 -1.871 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.697 -1.862 4.587 1.00 0.00 H new ATOM 0 HG SER A 50 -9.080 -3.841 3.549 1.00 0.00 H new ATOM 712 N TRP A 51 -7.024 -0.348 1.914 1.00 0.00 N ATOM 713 CA TRP A 51 -5.959 -0.534 0.945 1.00 0.00 C ATOM 714 C TRP A 51 -4.723 -1.079 1.665 1.00 0.00 C ATOM 715 O TRP A 51 -4.663 -1.076 2.899 1.00 0.00 O ATOM 716 CB TRP A 51 -5.721 0.773 0.170 1.00 0.00 C ATOM 717 CG TRP A 51 -5.215 1.969 0.912 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.916 2.317 0.966 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.943 3.046 1.573 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.777 3.548 1.573 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.004 4.050 1.961 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.307 3.302 1.832 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.405 5.250 2.569 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.720 4.505 2.436 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.772 5.476 2.804 1.00 0.00 C ATOM 0 H TRP A 51 -6.689 -0.035 2.825 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.231 -1.273 0.191 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.013 0.558 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.662 1.052 -0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.100 1.719 0.588 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.886 4.024 1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.046 2.562 1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.672 5.991 2.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.770 4.683 2.617 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.095 6.396 3.268 1.00 0.00 H new ATOM 736 N ASN A 52 -3.755 -1.573 0.894 1.00 0.00 N ATOM 737 CA ASN A 52 -2.521 -2.207 1.358 1.00 0.00 C ATOM 738 C ASN A 52 -1.356 -1.615 0.571 1.00 0.00 C ATOM 739 O ASN A 52 -1.573 -1.120 -0.537 1.00 0.00 O ATOM 740 CB ASN A 52 -2.608 -3.733 1.172 1.00 0.00 C ATOM 741 CG ASN A 52 -3.086 -4.398 2.451 1.00 0.00 C ATOM 742 OD1 ASN A 52 -2.276 -4.844 3.259 1.00 0.00 O ATOM 743 ND2 ASN A 52 -4.376 -4.429 2.712 1.00 0.00 N ATOM 0 H ASN A 52 -3.813 -1.540 -0.124 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.369 -2.018 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.291 -3.967 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.631 -4.128 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.709 -4.826 3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.042 -4.056 2.036 1.00 0.00 H new ATOM 750 N ALA A 53 -0.134 -1.663 1.107 1.00 0.00 N ATOM 751 CA ALA A 53 1.030 -0.906 0.622 1.00 0.00 C ATOM 752 C ALA A 53 2.320 -1.695 0.849 1.00 0.00 C ATOM 753 O ALA A 53 2.479 -2.242 1.941 1.00 0.00 O ATOM 754 CB ALA A 53 1.147 0.378 1.443 1.00 0.00 C ATOM 0 H ALA A 53 0.083 -2.246 1.915 1.00 0.00 H new ATOM 0 HA ALA A 53 0.895 -0.706 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.006 0.954 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.240 0.971 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.278 0.126 2.495 1.00 0.00 H new ATOM 760 N SER A 54 3.284 -1.668 -0.081 1.00 0.00 N ATOM 761 CA SER A 54 4.669 -2.051 0.218 1.00 0.00 C ATOM 762 C SER A 54 5.633 -1.681 -0.917 1.00 0.00 C ATOM 763 O SER A 54 5.216 -1.563 -2.078 1.00 0.00 O ATOM 764 CB SER A 54 4.761 -3.561 0.503 1.00 0.00 C ATOM 765 OG SER A 54 5.606 -3.778 1.615 1.00 0.00 O ATOM 0 H SER A 54 3.129 -1.384 -1.048 1.00 0.00 H new ATOM 0 HA SER A 54 4.968 -1.491 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.769 -3.966 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.150 -4.084 -0.371 1.00 0.00 H new ATOM 0 HG SER A 54 5.664 -4.739 1.799 1.00 0.00 H new ATOM 771 N GLY A 55 6.924 -1.557 -0.592 1.00 0.00 N ATOM 772 CA GLY A 55 8.027 -1.336 -1.522 1.00 0.00 C ATOM 773 C GLY A 55 9.339 -1.145 -0.759 1.00 0.00 C ATOM 774 O GLY A 55 9.916 -2.129 -0.295 1.00 0.00 O ATOM 0 H GLY A 55 7.240 -1.611 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.114 -2.184 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.824 -0.457 -2.134 1.00 0.00 H new ATOM 778 N ASP A 56 9.793 0.102 -0.591 1.00 0.00 N ATOM 779 CA ASP A 56 10.940 0.481 0.249 1.00 0.00 C ATOM 780 C ASP A 56 10.739 -0.048 1.683 1.00 0.00 C ATOM 781 O ASP A 56 9.606 -0.287 2.109 1.00 0.00 O ATOM 782 CB ASP A 56 11.065 2.016 0.315 1.00 0.00 C ATOM 783 CG ASP A 56 11.652 2.721 -0.918 1.00 0.00 C ATOM 784 OD1 ASP A 56 12.896 2.870 -1.007 1.00 0.00 O ATOM 785 OD2 ASP A 56 10.865 3.251 -1.735 1.00 0.00 O ATOM 0 H ASP A 56 9.360 0.903 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 56 11.841 0.051 -0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.074 2.429 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.683 2.269 1.176 1.00 0.00 H new ATOM 790 N SER A 57 11.813 -0.212 2.458 1.00 0.00 N ATOM 791 CA SER A 57 11.760 -0.595 3.870 1.00 0.00 C ATOM 792 C SER A 57 11.424 0.578 4.788 1.00 0.00 C ATOM 793 O SER A 57 10.882 0.364 5.867 1.00 0.00 O ATOM 794 CB SER A 57 13.124 -1.122 4.322 1.00 0.00 C ATOM 795 OG SER A 57 13.553 -2.252 3.583 1.00 0.00 O ATOM 0 H SER A 57 12.764 -0.079 2.114 1.00 0.00 H new ATOM 0 HA SER A 57 10.979 -1.352 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.865 -0.328 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.074 -1.383 5.379 1.00 0.00 H new ATOM 0 HG SER A 57 14.428 -2.545 3.912 1.00 0.00 H new ATOM 801 N TRP A 58 11.793 1.801 4.409 1.00 0.00 N ATOM 802 CA TRP A 58 11.751 2.971 5.282 1.00 0.00 C ATOM 803 C TRP A 58 10.408 3.708 5.181 1.00 0.00 C ATOM 804 O TRP A 58 10.317 4.877 5.553 1.00 0.00 O ATOM 805 CB TRP A 58 12.968 3.859 4.963 1.00 0.00 C ATOM 806 CG TRP A 58 13.131 4.283 3.534 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.730 3.553 2.565 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.690 5.521 2.893 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.645 4.231 1.368 1.00 0.00 N ATOM 810 CE2 TRP A 58 13.071 5.473 1.520 1.00 0.00 C ATOM 811 CE3 TRP A 58 12.003 6.678 3.321 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.821 6.527 0.629 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.724 7.732 2.428 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.152 7.670 1.091 1.00 0.00 C ATOM 0 H TRP A 58 12.135 2.009 3.471 1.00 0.00 H new ATOM 0 HA TRP A 58 11.818 2.665 6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.907 4.756 5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.869 3.325 5.265 1.00 0.00 H new ATOM 0 HD1 TRP A 58 14.200 2.591 2.707 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.969 3.857 0.476 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.686 6.757 4.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.140 6.459 -0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.176 8.596 2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.967 8.498 0.423 1.00 0.00 H new ATOM 825 N ILE A 59 9.380 3.062 4.623 1.00 0.00 N ATOM 826 CA ILE A 59 8.108 3.663 4.256 1.00 0.00 C ATOM 827 C ILE A 59 7.035 2.674 4.687 1.00 0.00 C ATOM 828 O ILE A 59 7.102 1.498 4.318 1.00 0.00 O ATOM 829 CB ILE A 59 8.056 3.946 2.736 1.00 0.00 C ATOM 830 CG1 ILE A 59 9.292 4.760 2.287 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.736 4.659 2.383 1.00 0.00 C ATOM 832 CD1 ILE A 59 9.281 5.172 0.820 1.00 0.00 C ATOM 0 H ILE A 59 9.420 2.066 4.409 1.00 0.00 H new ATOM 0 HA ILE A 59 7.959 4.626 4.745 1.00 0.00 H new ATOM 0 HB ILE A 59 8.084 3.001 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.363 5.657 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.188 4.170 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.704 4.856 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.894 4.024 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.675 5.601 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.185 5.738 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.244 4.282 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.406 5.792 0.623 1.00 0.00 H new ATOM 844 N HIS A 60 6.053 3.152 5.448 1.00 0.00 N ATOM 845 CA HIS A 60 5.010 2.335 6.043 1.00 0.00 C ATOM 846 C HIS A 60 3.678 3.056 5.864 1.00 0.00 C ATOM 847 O HIS A 60 3.634 4.287 5.852 1.00 0.00 O ATOM 848 CB HIS A 60 5.318 2.099 7.524 1.00 0.00 C ATOM 849 CG HIS A 60 6.738 1.672 7.780 1.00 0.00 C ATOM 850 ND1 HIS A 60 7.277 0.434 7.525 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.723 2.465 8.297 1.00 0.00 C ATOM 852 CE1 HIS A 60 8.562 0.469 7.914 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.874 1.680 8.414 1.00 0.00 N ATOM 0 H HIS A 60 5.963 4.143 5.671 1.00 0.00 H new ATOM 0 HA HIS A 60 4.959 1.361 5.556 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.116 3.015 8.080 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.642 1.336 7.911 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.630 3.507 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.250 -0.360 7.837 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.773 1.968 8.802 1.00 0.00 H new ATOM 861 N VAL A 61 2.570 2.327 5.766 1.00 0.00 N ATOM 862 CA VAL A 61 1.258 2.922 5.537 1.00 0.00 C ATOM 863 C VAL A 61 0.287 2.202 6.463 1.00 0.00 C ATOM 864 O VAL A 61 0.244 0.970 6.471 1.00 0.00 O ATOM 865 CB VAL A 61 0.864 2.809 4.050 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.408 3.616 3.761 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.982 3.290 3.103 1.00 0.00 C ATOM 0 H VAL A 61 2.557 1.310 5.843 1.00 0.00 H new ATOM 0 HA VAL A 61 1.251 3.989 5.760 1.00 0.00 H new ATOM 0 HB VAL A 61 0.688 1.750 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.667 3.522 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.227 3.235 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.235 4.665 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.652 3.189 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.210 4.336 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.876 2.686 3.259 1.00 0.00 H new ATOM 877 N ASN A 62 -0.443 2.956 7.280 1.00 0.00 N ATOM 878 CA ASN A 62 -1.508 2.440 8.126 1.00 0.00 C ATOM 879 C ASN A 62 -2.818 2.386 7.328 1.00 0.00 C ATOM 880 O ASN A 62 -2.848 2.774 6.163 1.00 0.00 O ATOM 881 CB ASN A 62 -1.633 3.320 9.378 1.00 0.00 C ATOM 882 CG ASN A 62 -1.999 2.444 10.561 1.00 0.00 C ATOM 883 OD1 ASN A 62 -3.166 2.147 10.794 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.994 1.951 11.259 1.00 0.00 N ATOM 0 H ASN A 62 -0.306 3.963 7.372 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.278 1.425 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.693 3.838 9.569 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.394 4.085 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.175 1.299 12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.036 2.222 11.035 1.00 0.00 H new ATOM 891 N GLY A 63 -3.927 1.964 7.941 1.00 0.00 N ATOM 892 CA GLY A 63 -5.213 1.835 7.252 1.00 0.00 C ATOM 893 C GLY A 63 -5.818 3.164 6.784 1.00 0.00 C ATOM 894 O GLY A 63 -6.813 3.153 6.057 1.00 0.00 O ATOM 0 H GLY A 63 -3.959 1.703 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.084 1.184 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.921 1.343 7.919 1.00 0.00 H new ATOM 898 N SER A 64 -5.246 4.305 7.177 1.00 0.00 N ATOM 899 CA SER A 64 -5.545 5.605 6.584 1.00 0.00 C ATOM 900 C SER A 64 -4.323 6.532 6.516 1.00 0.00 C ATOM 901 O SER A 64 -4.330 7.450 5.693 1.00 0.00 O ATOM 902 CB SER A 64 -6.709 6.272 7.335 1.00 0.00 C ATOM 903 OG SER A 64 -6.506 6.231 8.735 1.00 0.00 O ATOM 0 H SER A 64 -4.554 4.349 7.925 1.00 0.00 H new ATOM 0 HA SER A 64 -5.841 5.426 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.809 7.308 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.643 5.768 7.085 1.00 0.00 H new ATOM 0 HG SER A 64 -7.260 6.663 9.188 1.00 0.00 H new ATOM 909 N SER A 65 -3.275 6.320 7.322 1.00 0.00 N ATOM 910 CA SER A 65 -2.183 7.285 7.497 1.00 0.00 C ATOM 911 C SER A 65 -0.917 6.867 6.745 1.00 0.00 C ATOM 912 O SER A 65 -0.699 5.685 6.479 1.00 0.00 O ATOM 913 CB SER A 65 -1.881 7.457 8.990 1.00 0.00 C ATOM 914 OG SER A 65 -3.087 7.627 9.713 1.00 0.00 O ATOM 0 H SER A 65 -3.161 5.470 7.874 1.00 0.00 H new ATOM 0 HA SER A 65 -2.508 8.236 7.075 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.344 6.585 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.232 8.320 9.141 1.00 0.00 H new ATOM 0 HG SER A 65 -2.885 7.734 10.666 1.00 0.00 H new ATOM 920 N VAL A 66 -0.065 7.839 6.438 1.00 0.00 N ATOM 921 CA VAL A 66 1.235 7.680 5.801 1.00 0.00 C ATOM 922 C VAL A 66 2.291 7.637 6.907 1.00 0.00 C ATOM 923 O VAL A 66 2.071 8.154 8.005 1.00 0.00 O ATOM 924 CB VAL A 66 1.497 8.887 4.864 1.00 0.00 C ATOM 925 CG1 VAL A 66 2.654 8.611 3.889 1.00 0.00 C ATOM 926 CG2 VAL A 66 0.274 9.283 4.026 1.00 0.00 C ATOM 0 H VAL A 66 -0.277 8.816 6.640 1.00 0.00 H new ATOM 0 HA VAL A 66 1.270 6.765 5.209 1.00 0.00 H new ATOM 0 HB VAL A 66 1.747 9.706 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.806 9.481 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.565 8.411 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.412 7.745 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.527 10.134 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.026 8.442 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.548 9.555 4.688 1.00 0.00 H new ATOM 936 N SER A 67 3.461 7.075 6.611 1.00 0.00 N ATOM 937 CA SER A 67 4.666 7.254 7.398 1.00 0.00 C ATOM 938 C SER A 67 5.879 6.989 6.511 1.00 0.00 C ATOM 939 O SER A 67 5.853 6.068 5.692 1.00 0.00 O ATOM 940 CB SER A 67 4.658 6.319 8.614 1.00 0.00 C ATOM 941 OG SER A 67 3.852 5.165 8.418 1.00 0.00 O ATOM 0 H SER A 67 3.594 6.471 5.800 1.00 0.00 H new ATOM 0 HA SER A 67 4.712 8.277 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.680 6.009 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.295 6.866 9.484 1.00 0.00 H new ATOM 0 HG SER A 67 3.914 4.877 7.483 1.00 0.00 H new ATOM 947 N TYR A 68 6.952 7.750 6.695 1.00 0.00 N ATOM 948 CA TYR A 68 8.267 7.370 6.219 1.00 0.00 C ATOM 949 C TYR A 68 9.317 7.934 7.162 1.00 0.00 C ATOM 950 O TYR A 68 9.123 8.973 7.799 1.00 0.00 O ATOM 951 CB TYR A 68 8.491 7.787 4.760 1.00 0.00 C ATOM 952 CG TYR A 68 8.092 9.197 4.380 1.00 0.00 C ATOM 953 CD1 TYR A 68 9.009 10.253 4.520 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.826 9.433 3.812 1.00 0.00 C ATOM 955 CE1 TYR A 68 8.666 11.546 4.093 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.473 10.720 3.373 1.00 0.00 C ATOM 957 CZ TYR A 68 7.392 11.785 3.528 1.00 0.00 C ATOM 958 OH TYR A 68 7.064 13.027 3.089 1.00 0.00 O ATOM 0 H TYR A 68 6.929 8.647 7.179 1.00 0.00 H new ATOM 0 HA TYR A 68 8.352 6.283 6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.549 7.661 4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.941 7.095 4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.979 10.070 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.122 8.620 3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.373 12.356 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.508 10.895 2.921 1.00 0.00 H new ATOM 0 HH TYR A 68 6.144 13.235 3.353 1.00 0.00 H new ATOM 968 N ASP A 69 10.411 7.195 7.271 1.00 0.00 N ATOM 969 CA ASP A 69 11.614 7.554 8.004 1.00 0.00 C ATOM 970 C ASP A 69 12.448 8.517 7.155 1.00 0.00 C ATOM 971 O ASP A 69 12.061 8.878 6.040 1.00 0.00 O ATOM 972 CB ASP A 69 12.397 6.262 8.311 1.00 0.00 C ATOM 973 CG ASP A 69 12.128 5.759 9.718 1.00 0.00 C ATOM 974 OD1 ASP A 69 11.063 5.140 9.951 1.00 0.00 O ATOM 975 OD2 ASP A 69 13.024 5.914 10.578 1.00 0.00 O ATOM 0 H ASP A 69 10.486 6.280 6.826 1.00 0.00 H new ATOM 0 HA ASP A 69 11.368 8.052 8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.122 5.491 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.464 6.446 8.189 1.00 0.00 H new ATOM 980 N GLU A 70 13.614 8.918 7.656 1.00 0.00 N ATOM 981 CA GLU A 70 14.498 9.873 7.009 1.00 0.00 C ATOM 982 C GLU A 70 15.852 9.226 6.711 1.00 0.00 C ATOM 983 O GLU A 70 16.169 8.123 7.177 1.00 0.00 O ATOM 984 CB GLU A 70 14.576 11.139 7.875 1.00 0.00 C ATOM 985 CG GLU A 70 14.819 12.385 7.017 1.00 0.00 C ATOM 986 CD GLU A 70 14.257 13.640 7.679 1.00 0.00 C ATOM 987 OE1 GLU A 70 14.579 13.864 8.871 1.00 0.00 O ATOM 988 OE2 GLU A 70 13.495 14.367 7.006 1.00 0.00 O ATOM 0 H GLU A 70 13.976 8.576 8.546 1.00 0.00 H new ATOM 0 HA GLU A 70 14.107 10.178 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.649 11.256 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.379 11.035 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.889 12.509 6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.357 12.250 6.039 1.00 0.00 H new ATOM 995 N ASN A 71 16.637 9.895 5.870 1.00 0.00 N ATOM 996 CA ASN A 71 17.913 9.403 5.379 1.00 0.00 C ATOM 997 C ASN A 71 19.039 9.747 6.359 1.00 0.00 C ATOM 998 O ASN A 71 19.036 10.822 6.962 1.00 0.00 O ATOM 999 CB ASN A 71 18.223 9.896 3.947 1.00 0.00 C ATOM 1000 CG ASN A 71 17.932 11.361 3.619 1.00 0.00 C ATOM 1001 OD1 ASN A 71 16.916 11.923 4.017 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.734 11.977 2.773 1.00 0.00 N ATOM 0 H ASN A 71 16.394 10.816 5.505 1.00 0.00 H new ATOM 0 HA ASN A 71 17.842 8.317 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.279 9.712 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.657 9.278 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.510 12.918 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.579 11.512 2.441 1.00 0.00 H new ATOM 1009 N PRO A 72 20.041 8.860 6.501 1.00 0.00 N ATOM 1010 CA PRO A 72 21.171 9.023 7.408 1.00 0.00 C ATOM 1011 C PRO A 72 22.290 9.888 6.827 1.00 0.00 C ATOM 1012 O PRO A 72 23.299 10.104 7.497 1.00 0.00 O ATOM 1013 CB PRO A 72 21.691 7.598 7.629 1.00 0.00 C ATOM 1014 CG PRO A 72 21.457 6.954 6.269 1.00 0.00 C ATOM 1015 CD PRO A 72 20.119 7.556 5.870 1.00 0.00 C ATOM 0 HA PRO A 72 20.856 9.529 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.745 7.588 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 72 21.147 7.085 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.245 7.201 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.414 5.867 6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.043 7.646 4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.296 6.919 6.195 1.00 0.00 H new ATOM 1023 N ALA A 73 22.192 10.288 5.559 1.00 0.00 N ATOM 1024 CA ALA A 73 23.314 10.815 4.806 1.00 0.00 C ATOM 1025 C ALA A 73 22.867 11.884 3.823 1.00 0.00 C ATOM 1026 O ALA A 73 21.687 11.987 3.484 1.00 0.00 O ATOM 1027 CB ALA A 73 23.964 9.664 4.034 1.00 0.00 C ATOM 0 H ALA A 73 21.322 10.252 5.028 1.00 0.00 H new ATOM 0 HA ALA A 73 24.021 11.268 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.811 10.042 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.311 8.905 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.234 9.224 3.355 1.00 0.00 H new ATOM 1033 N LYS A 74 23.852 12.571 3.239 1.00 0.00 N ATOM 1034 CA LYS A 74 23.644 13.531 2.172 1.00 0.00 C ATOM 1035 C LYS A 74 23.379 12.840 0.839 1.00 0.00 C ATOM 1036 O LYS A 74 23.229 13.516 -0.179 1.00 0.00 O ATOM 1037 CB LYS A 74 24.772 14.569 2.133 1.00 0.00 C ATOM 1038 CG LYS A 74 26.139 14.008 1.735 1.00 0.00 C ATOM 1039 CD LYS A 74 26.534 14.404 0.307 1.00 0.00 C ATOM 1040 CE LYS A 74 27.687 13.510 -0.151 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.190 13.875 -1.488 1.00 0.00 N ATOM 0 H LYS A 74 24.831 12.468 3.505 1.00 0.00 H new ATOM 0 HA LYS A 74 22.736 14.095 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.499 15.357 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.856 15.032 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.895 14.369 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.122 12.921 1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 74 25.682 14.295 -0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.833 15.452 0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.502 13.576 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.355 12.472 -0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 28.970 13.239 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.422 13.787 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.533 14.857 -1.474 1.00 0.00 H new ATOM 1055 N GLU A 75 23.330 11.506 0.807 1.00 0.00 N ATOM 1056 CA GLU A 75 22.782 10.821 -0.344 1.00 0.00 C ATOM 1057 C GLU A 75 21.268 11.026 -0.327 1.00 0.00 C ATOM 1058 O GLU A 75 20.615 10.890 0.713 1.00 0.00 O ATOM 1059 CB GLU A 75 23.109 9.329 -0.371 1.00 0.00 C ATOM 1060 CG GLU A 75 24.617 9.060 -0.442 1.00 0.00 C ATOM 1061 CD GLU A 75 24.924 7.565 -0.354 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.846 6.981 0.747 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.272 6.935 -1.385 1.00 0.00 O ATOM 0 H GLU A 75 23.659 10.896 1.555 1.00 0.00 H new ATOM 0 HA GLU A 75 23.235 11.241 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.700 8.854 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.620 8.869 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.016 9.460 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.120 9.584 0.371 1.00 0.00 H new ATOM 1070 N ARG A 76 20.722 11.340 -1.495 1.00 0.00 N ATOM 1071 CA ARG A 76 19.293 11.570 -1.702 1.00 0.00 C ATOM 1072 C ARG A 76 18.552 10.233 -1.624 1.00 0.00 C ATOM 1073 O ARG A 76 19.164 9.164 -1.739 1.00 0.00 O ATOM 1074 CB ARG A 76 19.086 12.236 -3.079 1.00 0.00 C ATOM 1075 CG ARG A 76 17.765 13.015 -3.191 1.00 0.00 C ATOM 1076 CD ARG A 76 17.358 13.347 -4.628 1.00 0.00 C ATOM 1077 NE ARG A 76 17.622 14.750 -4.978 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.567 15.193 -5.813 1.00 0.00 C ATOM 1079 NH1 ARG A 76 19.540 14.401 -6.259 1.00 0.00 N ATOM 1080 NH2 ARG A 76 18.540 16.445 -6.246 1.00 0.00 N ATOM 0 H ARG A 76 21.272 11.445 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 76 18.897 12.231 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 76 19.916 12.915 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.113 11.469 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.971 12.432 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.853 13.943 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.899 12.697 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.297 13.137 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 76 17.026 15.454 -4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.579 13.425 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.246 14.770 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.797 17.074 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.263 16.780 -6.883 1.00 0.00 H new ATOM 1094 N ARG A 77 17.224 10.268 -1.526 1.00 0.00 N ATOM 1095 CA ARG A 77 16.370 9.110 -1.756 1.00 0.00 C ATOM 1096 C ARG A 77 15.253 9.493 -2.715 1.00 0.00 C ATOM 1097 O ARG A 77 14.965 10.676 -2.903 1.00 0.00 O ATOM 1098 CB ARG A 77 15.830 8.589 -0.413 1.00 0.00 C ATOM 1099 CG ARG A 77 16.904 7.855 0.407 1.00 0.00 C ATOM 1100 CD ARG A 77 17.180 6.469 -0.193 1.00 0.00 C ATOM 1101 NE ARG A 77 18.231 5.737 0.522 1.00 0.00 N ATOM 1102 CZ ARG A 77 19.550 5.847 0.329 1.00 0.00 C ATOM 1103 NH1 ARG A 77 20.060 6.750 -0.503 1.00 0.00 N ATOM 1104 NH2 ARG A 77 20.368 5.052 1.004 1.00 0.00 N ATOM 0 H ARG A 77 16.707 11.113 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 77 16.940 8.301 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.442 9.425 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.994 7.914 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.823 8.441 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.574 7.752 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.261 5.883 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.469 6.582 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 77 17.925 5.078 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.441 7.381 -1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.070 6.812 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.989 4.369 1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.376 5.124 0.868 1.00 0.00 H new ATOM 1118 N THR A 78 14.631 8.476 -3.309 1.00 0.00 N ATOM 1119 CA THR A 78 13.476 8.604 -4.174 1.00 0.00 C ATOM 1120 C THR A 78 12.535 7.461 -3.767 1.00 0.00 C ATOM 1121 O THR A 78 12.610 6.365 -4.333 1.00 0.00 O ATOM 1122 CB THR A 78 13.895 8.542 -5.660 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.889 9.495 -6.001 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.688 8.787 -6.574 1.00 0.00 C ATOM 0 H THR A 78 14.934 7.509 -3.192 1.00 0.00 H new ATOM 0 HA THR A 78 12.974 9.565 -4.064 1.00 0.00 H new ATOM 0 HB THR A 78 14.305 7.542 -5.804 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.114 9.407 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.005 8.739 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.931 8.025 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.269 9.772 -6.367 1.00 0.00 H new ATOM 1132 N GLY A 79 11.718 7.660 -2.730 1.00 0.00 N ATOM 1133 CA GLY A 79 10.803 6.622 -2.248 1.00 0.00 C ATOM 1134 C GLY A 79 9.814 6.252 -3.350 1.00 0.00 C ATOM 1135 O GLY A 79 9.402 7.150 -4.091 1.00 0.00 O ATOM 0 H GLY A 79 11.671 8.534 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.367 5.741 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.266 6.978 -1.369 1.00 0.00 H new ATOM 1139 N LEU A 80 9.443 4.973 -3.486 1.00 0.00 N ATOM 1140 CA LEU A 80 8.424 4.550 -4.448 1.00 0.00 C ATOM 1141 C LEU A 80 7.819 3.185 -4.096 1.00 0.00 C ATOM 1142 O LEU A 80 8.049 2.182 -4.789 1.00 0.00 O ATOM 1143 CB LEU A 80 9.014 4.503 -5.868 1.00 0.00 C ATOM 1144 CG LEU A 80 7.905 4.527 -6.938 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.369 5.948 -7.136 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.439 4.033 -8.284 1.00 0.00 C ATOM 0 H LEU A 80 9.838 4.210 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 80 7.623 5.288 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.682 5.352 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.615 3.601 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 80 7.107 3.872 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.588 5.940 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.957 6.316 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.180 6.601 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.639 4.058 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.256 4.677 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.803 3.011 -8.178 1.00 0.00 H new ATOM 1158 N VAL A 81 6.998 3.127 -3.053 1.00 0.00 N ATOM 1159 CA VAL A 81 6.169 1.958 -2.812 1.00 0.00 C ATOM 1160 C VAL A 81 5.048 1.885 -3.858 1.00 0.00 C ATOM 1161 O VAL A 81 4.845 2.824 -4.633 1.00 0.00 O ATOM 1162 CB VAL A 81 5.617 1.924 -1.360 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.715 2.028 -0.297 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.515 2.958 -1.077 1.00 0.00 C ATOM 0 H VAL A 81 6.891 3.873 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 81 6.792 1.070 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 81 5.158 0.938 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.265 1.999 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.407 1.193 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.255 2.966 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.187 2.866 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.906 3.962 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.670 2.781 -1.743 1.00 0.00 H new ATOM 1174 N THR A 82 4.285 0.793 -3.844 1.00 0.00 N ATOM 1175 CA THR A 82 2.997 0.690 -4.518 1.00 0.00 C ATOM 1176 C THR A 82 1.926 0.446 -3.449 1.00 0.00 C ATOM 1177 O THR A 82 2.230 -0.142 -2.404 1.00 0.00 O ATOM 1178 CB THR A 82 3.069 -0.445 -5.552 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.058 -0.161 -6.530 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.751 -0.722 -6.278 1.00 0.00 C ATOM 0 H THR A 82 4.553 -0.060 -3.353 1.00 0.00 H new ATOM 0 HA THR A 82 2.741 1.603 -5.056 1.00 0.00 H new ATOM 0 HB THR A 82 3.318 -1.336 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.094 -0.893 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.891 -1.537 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.987 -1.001 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.434 0.174 -6.811 1.00 0.00 H new ATOM 1188 N LEU A 83 0.679 0.854 -3.715 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.508 0.486 -2.938 1.00 0.00 C ATOM 1190 C LEU A 83 -1.557 -0.128 -3.869 1.00 0.00 C ATOM 1191 O LEU A 83 -1.443 0.036 -5.082 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.130 1.687 -2.192 1.00 0.00 C ATOM 1193 CG LEU A 83 -0.177 2.523 -1.318 1.00 0.00 C ATOM 1194 CD1 LEU A 83 0.370 3.714 -2.085 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.874 3.127 -0.101 1.00 0.00 C ATOM 0 H LEU A 83 0.463 1.468 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.189 -0.235 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.584 2.348 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.935 1.315 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 83 0.605 1.826 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.039 4.285 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.919 3.363 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.455 4.350 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.156 3.706 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.683 3.779 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.282 2.328 0.519 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.589 -0.792 -3.333 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.752 -1.322 -4.064 1.00 0.00 C ATOM 1209 C LYS A 84 -4.911 -1.478 -3.069 1.00 0.00 C ATOM 1210 O LYS A 84 -4.672 -1.478 -1.860 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.370 -2.660 -4.735 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.188 -2.919 -6.004 1.00 0.00 C ATOM 1213 CD LYS A 84 -3.636 -4.073 -6.848 1.00 0.00 C ATOM 1214 CE LYS A 84 -4.198 -3.986 -8.275 1.00 0.00 C ATOM 1215 NZ LYS A 84 -3.808 -5.151 -9.090 1.00 0.00 N ATOM 0 H LYS A 84 -2.640 -0.984 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.067 -0.644 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.309 -2.651 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.526 -3.477 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.219 -3.140 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.208 -2.012 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.547 -4.030 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.907 -5.028 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.285 -3.919 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.840 -3.073 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.206 -5.055 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.771 -5.201 -9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.171 -6.020 -8.649 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.148 -1.583 -3.561 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.379 -1.419 -2.785 1.00 0.00 C ATOM 1231 C GLN A 85 -8.031 -2.786 -2.548 1.00 0.00 C ATOM 1232 O GLN A 85 -7.644 -3.778 -3.162 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.317 -0.457 -3.555 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.033 0.600 -2.694 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.405 1.843 -3.517 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.542 2.585 -3.981 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.679 2.078 -3.767 1.00 0.00 N ATOM 0 H GLN A 85 -6.326 -1.792 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.165 -0.990 -1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.734 0.056 -4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.071 -1.050 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.934 0.167 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.389 0.892 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.396 1.463 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.947 2.875 -4.345 1.00 0.00 H new ATOM 1246 N ASP A 86 -9.043 -2.850 -1.677 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.793 -4.097 -1.463 1.00 0.00 C ATOM 1248 C ASP A 86 -10.626 -4.515 -2.680 1.00 0.00 C ATOM 1249 O ASP A 86 -10.578 -5.675 -3.081 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.712 -4.001 -0.249 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.496 -5.300 -0.067 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.875 -6.367 0.108 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.745 -5.249 -0.109 1.00 0.00 O ATOM 0 H ASP A 86 -9.361 -2.062 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.033 -4.859 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.123 -3.797 0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.403 -3.167 -0.373 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.413 -3.598 -3.261 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.331 -3.924 -4.365 1.00 0.00 C ATOM 1260 C GLU A 87 -12.037 -3.178 -5.660 1.00 0.00 C ATOM 1261 O GLU A 87 -12.517 -3.574 -6.726 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.780 -3.653 -3.968 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.315 -4.612 -2.904 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.784 -4.889 -3.206 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.030 -5.683 -4.150 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.674 -4.224 -2.633 1.00 0.00 O ATOM 0 H GLU A 87 -11.433 -2.617 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.173 -4.985 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.861 -2.631 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.409 -3.721 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.745 -5.541 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.207 -4.176 -1.911 1.00 0.00 H new ATOM 1273 N SER A 88 -11.290 -2.087 -5.560 1.00 0.00 N ATOM 1274 CA SER A 88 -10.610 -1.444 -6.671 1.00 0.00 C ATOM 1275 C SER A 88 -9.158 -1.912 -6.686 1.00 0.00 C ATOM 1276 O SER A 88 -8.774 -2.821 -5.956 1.00 0.00 O ATOM 1277 CB SER A 88 -10.710 0.078 -6.536 1.00 0.00 C ATOM 1278 OG SER A 88 -12.000 0.435 -6.138 1.00 0.00 O ATOM 0 H SER A 88 -11.137 -1.610 -4.671 1.00 0.00 H new ATOM 0 HA SER A 88 -11.079 -1.718 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.983 0.436 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.469 0.553 -7.487 1.00 0.00 H new ATOM 0 HG SER A 88 -12.058 1.409 -6.052 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.322 -1.247 -7.472 1.00 0.00 N ATOM 1285 CA GLY A 89 -6.940 -1.638 -7.618 1.00 0.00 C ATOM 1286 C GLY A 89 -6.144 -0.588 -8.363 1.00 0.00 C ATOM 1287 O GLY A 89 -5.220 -0.941 -9.091 1.00 0.00 O ATOM 0 H GLY A 89 -8.587 -0.428 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.500 -1.800 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.883 -2.586 -8.152 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.520 0.690 -8.225 1.00 0.00 N ATOM 1292 CA LYS A 90 -5.697 1.791 -8.693 1.00 0.00 C ATOM 1293 C LYS A 90 -4.387 1.677 -7.942 1.00 0.00 C ATOM 1294 O LYS A 90 -4.384 1.872 -6.731 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.354 3.150 -8.394 1.00 0.00 C ATOM 1296 CG LYS A 90 -6.993 3.816 -9.624 1.00 0.00 C ATOM 1297 CD LYS A 90 -6.454 5.237 -9.863 1.00 0.00 C ATOM 1298 CE LYS A 90 -5.126 5.312 -10.639 1.00 0.00 C ATOM 1299 NZ LYS A 90 -3.988 4.601 -10.019 1.00 0.00 N ATOM 0 H LYS A 90 -7.396 0.979 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.560 1.738 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.118 3.013 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.603 3.822 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.803 3.204 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.074 3.857 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.207 5.807 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.320 5.725 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.285 4.906 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.855 6.361 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.121 4.795 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.865 4.929 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.176 3.578 -10.020 1.00 0.00 H new ATOM 1313 N THR A 91 -3.301 1.368 -8.634 1.00 0.00 N ATOM 1314 CA THR A 91 -2.017 1.306 -7.978 1.00 0.00 C ATOM 1315 C THR A 91 -1.496 2.732 -7.817 1.00 0.00 C ATOM 1316 O THR A 91 -1.319 3.445 -8.807 1.00 0.00 O ATOM 1317 CB THR A 91 -1.093 0.326 -8.706 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.169 0.459 -10.114 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.505 -1.115 -8.383 1.00 0.00 C ATOM 0 H THR A 91 -3.288 1.160 -9.633 1.00 0.00 H new ATOM 0 HA THR A 91 -2.084 0.895 -6.971 1.00 0.00 H new ATOM 0 HB THR A 91 -0.081 0.551 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.562 -0.184 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.844 -1.808 -8.904 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.432 -1.282 -7.308 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.532 -1.281 -8.707 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.377 3.198 -6.575 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.760 4.481 -6.230 1.00 0.00 C ATOM 1329 C LEU A 92 0.738 4.274 -6.027 1.00 0.00 C ATOM 1330 O LEU A 92 1.188 3.148 -5.813 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.361 5.030 -4.922 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.414 6.134 -5.072 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.610 5.766 -5.962 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -2.875 6.515 -3.661 1.00 0.00 C ATOM 0 H LEU A 92 -1.714 2.684 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.944 5.190 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.810 4.200 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.548 5.414 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.950 6.973 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.301 6.607 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.257 5.530 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.121 4.899 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.628 7.301 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.303 5.641 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.023 6.874 -3.084 1.00 0.00 H new ATOM 1346 N SER A 93 1.476 5.384 -5.996 1.00 0.00 N ATOM 1347 CA SER A 93 2.900 5.457 -5.701 1.00 0.00 C ATOM 1348 C SER A 93 3.131 6.675 -4.803 1.00 0.00 C ATOM 1349 O SER A 93 2.711 7.776 -5.185 1.00 0.00 O ATOM 1350 CB SER A 93 3.706 5.615 -7.000 1.00 0.00 C ATOM 1351 OG SER A 93 3.106 4.986 -8.123 1.00 0.00 O ATOM 0 H SER A 93 1.072 6.301 -6.186 1.00 0.00 H new ATOM 0 HA SER A 93 3.226 4.543 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.831 6.677 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.703 5.200 -6.852 1.00 0.00 H new ATOM 0 HG SER A 93 3.667 5.126 -8.914 1.00 0.00 H new ATOM 1357 N LEU A 94 3.760 6.489 -3.637 1.00 0.00 N ATOM 1358 CA LEU A 94 4.093 7.545 -2.675 1.00 0.00 C ATOM 1359 C LEU A 94 5.514 8.018 -2.988 1.00 0.00 C ATOM 1360 O LEU A 94 6.481 7.494 -2.443 1.00 0.00 O ATOM 1361 CB LEU A 94 3.965 6.985 -1.237 1.00 0.00 C ATOM 1362 CG LEU A 94 4.009 7.972 -0.039 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.668 7.281 1.157 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.655 9.345 -0.271 1.00 0.00 C ATOM 0 H LEU A 94 4.062 5.566 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 94 3.413 8.394 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.024 6.439 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.765 6.258 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 94 2.962 8.217 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.702 7.969 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.090 6.398 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.682 6.983 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.615 9.926 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.694 9.212 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.115 9.873 -1.057 1.00 0.00 H new ATOM 1376 N LYS A 95 5.691 8.960 -3.907 1.00 0.00 N ATOM 1377 CA LYS A 95 7.006 9.516 -4.166 1.00 0.00 C ATOM 1378 C LYS A 95 7.395 10.401 -2.997 1.00 0.00 C ATOM 1379 O LYS A 95 6.601 11.211 -2.520 1.00 0.00 O ATOM 1380 CB LYS A 95 7.043 10.287 -5.488 1.00 0.00 C ATOM 1381 CG LYS A 95 7.317 9.377 -6.686 1.00 0.00 C ATOM 1382 CD LYS A 95 7.222 10.157 -8.006 1.00 0.00 C ATOM 1383 CE LYS A 95 8.281 9.714 -9.020 1.00 0.00 C ATOM 1384 NZ LYS A 95 9.567 10.419 -8.835 1.00 0.00 N ATOM 0 H LYS A 95 4.943 9.350 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 95 7.727 8.705 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.092 10.799 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.814 11.056 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.309 8.935 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.601 8.555 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.230 10.019 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.337 11.222 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.442 8.640 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.912 9.895 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.251 10.085 -9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.421 11.442 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.935 10.226 -7.882 1.00 0.00 H new ATOM 1398 N ILE A 96 8.651 10.273 -2.597 1.00 0.00 N ATOM 1399 CA ILE A 96 9.360 11.238 -1.767 1.00 0.00 C ATOM 1400 C ILE A 96 10.688 11.499 -2.466 1.00 0.00 C ATOM 1401 O ILE A 96 11.481 10.570 -2.604 1.00 0.00 O ATOM 1402 CB ILE A 96 9.589 10.736 -0.324 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.328 10.215 0.390 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.171 11.875 0.527 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.263 8.689 0.393 1.00 0.00 C ATOM 0 H ILE A 96 9.225 9.468 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 96 8.766 12.146 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 96 10.271 9.892 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.315 10.581 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.441 10.615 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.333 11.522 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.120 12.200 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.473 12.713 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.358 8.364 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.249 8.323 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.136 8.289 0.908 1.00 0.00 H new ATOM 1417 N VAL A 97 10.931 12.728 -2.914 1.00 0.00 N ATOM 1418 CA VAL A 97 12.163 13.166 -3.566 1.00 0.00 C ATOM 1419 C VAL A 97 12.799 14.221 -2.650 1.00 0.00 C ATOM 1420 O VAL A 97 12.762 15.417 -2.955 1.00 0.00 O ATOM 1421 CB VAL A 97 11.825 13.698 -4.981 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.059 14.196 -5.745 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.132 12.661 -5.878 1.00 0.00 C ATOM 0 H VAL A 97 10.245 13.478 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 97 12.879 12.357 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 97 11.144 14.525 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.757 14.556 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.528 15.008 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.770 13.378 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.925 13.103 -6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.782 11.795 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.196 12.348 -5.416 1.00 0.00 H new ATOM 1433 N GLN A 98 13.349 13.808 -1.505 1.00 0.00 N ATOM 1434 CA GLN A 98 13.814 14.752 -0.493 1.00 0.00 C ATOM 1435 C GLN A 98 15.346 14.819 -0.477 1.00 0.00 C ATOM 1436 O GLN A 98 15.987 13.858 -0.912 1.00 0.00 O ATOM 1437 CB GLN A 98 13.180 14.396 0.853 1.00 0.00 C ATOM 1438 CG GLN A 98 13.621 13.080 1.496 1.00 0.00 C ATOM 1439 CD GLN A 98 13.133 13.068 2.941 1.00 0.00 C ATOM 1440 OE1 GLN A 98 11.998 12.712 3.247 1.00 0.00 O ATOM 1441 NE2 GLN A 98 14.002 13.467 3.843 1.00 0.00 N ATOM 0 H GLN A 98 13.482 12.827 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 98 13.491 15.765 -0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.392 15.204 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.098 14.364 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.208 12.233 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.706 12.985 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.937 13.757 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.741 13.487 4.829 1.00 0.00 H new ATOM 1450 N PRO A 99 15.938 15.941 -0.030 1.00 0.00 N ATOM 1451 CA PRO A 99 17.369 16.187 -0.117 1.00 0.00 C ATOM 1452 C PRO A 99 18.204 15.251 0.759 1.00 0.00 C ATOM 1453 O PRO A 99 17.720 14.405 1.515 1.00 0.00 O ATOM 1454 CB PRO A 99 17.562 17.670 0.235 1.00 0.00 C ATOM 1455 CG PRO A 99 16.334 18.024 1.055 1.00 0.00 C ATOM 1456 CD PRO A 99 15.259 17.130 0.461 1.00 0.00 C ATOM 0 HA PRO A 99 17.733 15.972 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.479 17.828 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.633 18.286 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.485 17.824 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.078 19.079 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.513 16.869 1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.734 17.639 -0.347 1.00 0.00 H new ATOM 1464 N GLY A 100 19.514 15.389 0.605 1.00 0.00 N ATOM 1465 CA GLY A 100 20.505 14.685 1.376 1.00 0.00 C ATOM 1466 C GLY A 100 20.683 15.377 2.720 1.00 0.00 C ATOM 1467 O GLY A 100 21.203 16.490 2.734 1.00 0.00 O ATOM 0 H GLY A 100 19.920 16.019 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.198 13.650 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.452 14.662 0.838 1.00 0.00 H new ATOM 1471 N LYS A 101 20.307 14.713 3.817 1.00 0.00 N ATOM 1472 CA LYS A 101 20.441 15.246 5.168 1.00 0.00 C ATOM 1473 C LYS A 101 21.909 15.480 5.492 1.00 0.00 C ATOM 1474 O LYS A 101 22.687 14.522 5.501 1.00 0.00 O ATOM 1475 CB LYS A 101 19.798 14.287 6.181 1.00 0.00 C ATOM 1476 CG LYS A 101 19.919 14.814 7.624 1.00 0.00 C ATOM 1477 CD LYS A 101 19.399 13.828 8.674 1.00 0.00 C ATOM 1478 CE LYS A 101 17.908 13.514 8.496 1.00 0.00 C ATOM 1479 NZ LYS A 101 17.149 13.619 9.760 1.00 0.00 N ATOM 0 H LYS A 101 19.897 13.780 3.787 1.00 0.00 H new ATOM 0 HA LYS A 101 19.921 16.202 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 101 18.746 14.147 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.275 13.310 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.964 15.040 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.367 15.750 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.972 12.903 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.564 14.241 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.482 14.199 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.798 12.507 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.145 13.414 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.524 12.936 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.242 14.582 10.142 1.00 0.00 H new