USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 24 LYS NZ :NH3+ -117:sc= 0.484 (180deg=-0.388) USER MOD Set 1.2: A 42 ASN : amide:sc= 0.498 K(o=0.98,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0969 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.00193 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 18 THR OG1 : rot -28:sc= -0.737! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 68:sc= 0.994 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 39 MET CE :methyl -147:sc= -3.02! (180deg=-7.74!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -6.82! C(o=-6.8!,f=-8!) USER MOD Single : A 56 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.15) USER MOD Single : A 57 MET CE :methyl 142:sc= -4.03! (180deg=-8.15!) USER MOD Single : A 67 GLN : amide:sc=-0.00235 X(o=-0.0024,f=-0.053) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00497 X(o=-0.005,f=-0.41) USER MOD Single : A 76 MET CE :methyl 156:sc= -0.908 (180deg=-1.51!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 15:sc= -2.42 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.99! C(o=-3!,f=-6.8!) USER MOD Single : A 83 MET CE :methyl -153:sc= -0.456 (180deg=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -58:sc= -0.574 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.514 -11.830 6.205 1.00 0.00 N ATOM 2 CA GLY A 1 -35.046 -11.330 4.924 1.00 0.00 C ATOM 3 C GLY A 1 -33.825 -12.116 4.441 1.00 0.00 C ATOM 4 O GLY A 1 -33.537 -13.198 4.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.515 -12.100 6.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.952 -12.661 6.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.410 -11.088 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.845 -11.404 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.791 -10.274 5.013 1.00 0.00 H new ATOM 8 N SER A 2 -33.139 -11.541 3.464 1.00 0.00 N ATOM 9 CA SER A 2 -31.956 -12.175 2.906 1.00 0.00 C ATOM 10 C SER A 2 -30.924 -11.112 2.526 1.00 0.00 C ATOM 11 O SER A 2 -31.222 -9.918 2.539 1.00 0.00 O ATOM 12 CB SER A 2 -32.311 -13.030 1.688 1.00 0.00 C ATOM 13 OG SER A 2 -32.640 -14.367 2.053 1.00 0.00 O ATOM 0 H SER A 2 -33.380 -10.643 3.044 1.00 0.00 H new ATOM 0 HA SER A 2 -31.530 -12.832 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.153 -12.580 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.470 -13.040 0.994 1.00 0.00 H new ATOM 0 HG SER A 2 -32.979 -14.381 2.972 1.00 0.00 H new ATOM 19 N SER A 3 -29.730 -11.583 2.196 1.00 0.00 N ATOM 20 CA SER A 3 -28.652 -10.687 1.813 1.00 0.00 C ATOM 21 C SER A 3 -28.230 -10.965 0.369 1.00 0.00 C ATOM 22 O SER A 3 -28.653 -11.955 -0.226 1.00 0.00 O ATOM 23 CB SER A 3 -27.454 -10.834 2.754 1.00 0.00 C ATOM 24 OG SER A 3 -27.539 -9.950 3.868 1.00 0.00 O ATOM 0 H SER A 3 -29.486 -12.573 2.186 1.00 0.00 H new ATOM 0 HA SER A 3 -29.015 -9.662 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.397 -11.862 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.534 -10.636 2.204 1.00 0.00 H new ATOM 0 HG SER A 3 -26.757 -10.075 4.446 1.00 0.00 H new ATOM 30 N GLY A 4 -27.402 -10.072 -0.154 1.00 0.00 N ATOM 31 CA GLY A 4 -26.918 -10.209 -1.517 1.00 0.00 C ATOM 32 C GLY A 4 -25.651 -11.065 -1.566 1.00 0.00 C ATOM 33 O GLY A 4 -25.546 -12.066 -0.859 1.00 0.00 O ATOM 0 H GLY A 4 -27.054 -9.251 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.691 -10.662 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.712 -9.223 -1.934 1.00 0.00 H new ATOM 37 N SER A 5 -24.720 -10.639 -2.408 1.00 0.00 N ATOM 38 CA SER A 5 -23.464 -11.354 -2.558 1.00 0.00 C ATOM 39 C SER A 5 -22.290 -10.420 -2.255 1.00 0.00 C ATOM 40 O SER A 5 -22.448 -9.201 -2.253 1.00 0.00 O ATOM 41 CB SER A 5 -23.328 -11.938 -3.966 1.00 0.00 C ATOM 42 OG SER A 5 -22.408 -13.026 -4.006 1.00 0.00 O ATOM 0 H SER A 5 -24.811 -9.808 -2.993 1.00 0.00 H new ATOM 0 HA SER A 5 -23.454 -12.181 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.304 -12.276 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.997 -11.158 -4.652 1.00 0.00 H new ATOM 0 HG SER A 5 -22.350 -13.372 -4.921 1.00 0.00 H new ATOM 48 N SER A 6 -21.140 -11.029 -2.007 1.00 0.00 N ATOM 49 CA SER A 6 -19.940 -10.267 -1.704 1.00 0.00 C ATOM 50 C SER A 6 -18.789 -10.726 -2.601 1.00 0.00 C ATOM 51 O SER A 6 -18.836 -11.816 -3.169 1.00 0.00 O ATOM 52 CB SER A 6 -19.555 -10.410 -0.230 1.00 0.00 C ATOM 53 OG SER A 6 -20.033 -9.321 0.554 1.00 0.00 O ATOM 0 H SER A 6 -21.013 -12.041 -2.010 1.00 0.00 H new ATOM 0 HA SER A 6 -20.145 -9.214 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.959 -11.344 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.470 -10.471 -0.143 1.00 0.00 H new ATOM 0 HG SER A 6 -19.768 -9.450 1.489 1.00 0.00 H new ATOM 59 N GLY A 7 -17.781 -9.871 -2.699 1.00 0.00 N ATOM 60 CA GLY A 7 -16.619 -10.175 -3.517 1.00 0.00 C ATOM 61 C GLY A 7 -15.394 -10.456 -2.646 1.00 0.00 C ATOM 62 O GLY A 7 -15.403 -10.179 -1.447 1.00 0.00 O ATOM 0 H GLY A 7 -17.745 -8.968 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.829 -11.040 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.411 -9.339 -4.185 1.00 0.00 H new ATOM 66 N GLU A 8 -14.368 -11.003 -3.281 1.00 0.00 N ATOM 67 CA GLU A 8 -13.138 -11.324 -2.579 1.00 0.00 C ATOM 68 C GLU A 8 -11.925 -10.887 -3.404 1.00 0.00 C ATOM 69 O GLU A 8 -12.001 -10.802 -4.629 1.00 0.00 O ATOM 70 CB GLU A 8 -13.068 -12.817 -2.251 1.00 0.00 C ATOM 71 CG GLU A 8 -14.035 -13.176 -1.121 1.00 0.00 C ATOM 72 CD GLU A 8 -14.518 -14.622 -1.251 1.00 0.00 C ATOM 73 OE1 GLU A 8 -15.293 -14.878 -2.198 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.101 -15.439 -0.402 1.00 0.00 O ATOM 0 H GLU A 8 -14.364 -11.232 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.128 -10.777 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.309 -13.400 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.051 -13.082 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.542 -13.039 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.890 -12.500 -1.141 1.00 0.00 H new ATOM 81 N GLY A 9 -10.835 -10.621 -2.699 1.00 0.00 N ATOM 82 CA GLY A 9 -9.609 -10.194 -3.351 1.00 0.00 C ATOM 83 C GLY A 9 -8.929 -9.074 -2.561 1.00 0.00 C ATOM 84 O GLY A 9 -9.599 -8.267 -1.919 1.00 0.00 O ATOM 0 H GLY A 9 -10.776 -10.693 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.930 -11.041 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.831 -9.849 -4.361 1.00 0.00 H new ATOM 88 N TYR A 10 -7.606 -9.062 -2.633 1.00 0.00 N ATOM 89 CA TYR A 10 -6.828 -8.055 -1.932 1.00 0.00 C ATOM 90 C TYR A 10 -6.020 -7.204 -2.914 1.00 0.00 C ATOM 91 O TYR A 10 -6.248 -6.001 -3.033 1.00 0.00 O ATOM 92 CB TYR A 10 -5.862 -8.822 -1.027 1.00 0.00 C ATOM 93 CG TYR A 10 -6.521 -9.427 0.215 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.149 -8.608 1.131 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.487 -10.792 0.419 1.00 0.00 C ATOM 96 CE1 TYR A 10 -7.769 -9.177 2.299 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.107 -11.361 1.587 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.717 -10.525 2.470 1.00 0.00 C ATOM 99 OH TYR A 10 -8.302 -11.063 3.574 1.00 0.00 O ATOM 0 H TYR A 10 -7.053 -9.734 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.482 -7.386 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.396 -9.621 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.064 -8.150 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.175 -7.540 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.995 -11.433 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.264 -8.547 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.088 -12.427 1.758 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.187 -12.036 3.563 1.00 0.00 H new ATOM 109 N GLU A 11 -5.092 -7.863 -3.594 1.00 0.00 N ATOM 110 CA GLU A 11 -4.249 -7.182 -4.562 1.00 0.00 C ATOM 111 C GLU A 11 -5.062 -6.142 -5.335 1.00 0.00 C ATOM 112 O GLU A 11 -4.652 -4.988 -5.449 1.00 0.00 O ATOM 113 CB GLU A 11 -3.592 -8.183 -5.515 1.00 0.00 C ATOM 114 CG GLU A 11 -2.717 -9.177 -4.748 1.00 0.00 C ATOM 115 CD GLU A 11 -3.492 -10.456 -4.429 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.429 -10.362 -3.606 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.131 -11.500 -5.015 1.00 0.00 O ATOM 0 H GLU A 11 -4.906 -8.861 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.454 -6.666 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.361 -8.722 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.986 -7.650 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.834 -9.420 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.366 -8.720 -3.823 1.00 0.00 H new ATOM 124 N GLN A 12 -6.200 -6.588 -5.847 1.00 0.00 N ATOM 125 CA GLN A 12 -7.074 -5.709 -6.606 1.00 0.00 C ATOM 126 C GLN A 12 -7.202 -4.354 -5.907 1.00 0.00 C ATOM 127 O GLN A 12 -6.764 -3.335 -6.438 1.00 0.00 O ATOM 128 CB GLN A 12 -8.448 -6.350 -6.814 1.00 0.00 C ATOM 129 CG GLN A 12 -9.192 -5.686 -7.975 1.00 0.00 C ATOM 130 CD GLN A 12 -10.542 -6.363 -8.219 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.809 -7.460 -7.755 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.376 -5.652 -8.973 1.00 0.00 N ATOM 0 H GLN A 12 -6.537 -7.546 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.631 -5.548 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.330 -7.415 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.037 -6.261 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.345 -4.629 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.585 -5.740 -8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.090 -4.740 -9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.302 -6.019 -9.194 1.00 0.00 H new ATOM 141 N ASP A 13 -7.802 -4.387 -4.727 1.00 0.00 N ATOM 142 CA ASP A 13 -7.993 -3.174 -3.950 1.00 0.00 C ATOM 143 C ASP A 13 -6.670 -2.407 -3.877 1.00 0.00 C ATOM 144 O ASP A 13 -6.572 -1.284 -4.369 1.00 0.00 O ATOM 145 CB ASP A 13 -8.430 -3.498 -2.520 1.00 0.00 C ATOM 146 CG ASP A 13 -9.396 -2.489 -1.895 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.750 -1.525 -2.608 1.00 0.00 O ATOM 148 OD2 ASP A 13 -9.758 -2.705 -0.718 1.00 0.00 O ATOM 0 H ASP A 13 -8.163 -5.235 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.766 -2.580 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.901 -4.481 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.542 -3.566 -1.891 1.00 0.00 H new ATOM 153 N PHE A 14 -5.686 -3.045 -3.261 1.00 0.00 N ATOM 154 CA PHE A 14 -4.375 -2.437 -3.117 1.00 0.00 C ATOM 155 C PHE A 14 -3.920 -1.798 -4.431 1.00 0.00 C ATOM 156 O PHE A 14 -3.654 -0.598 -4.483 1.00 0.00 O ATOM 157 CB PHE A 14 -3.401 -3.557 -2.745 1.00 0.00 C ATOM 158 CG PHE A 14 -1.959 -3.087 -2.546 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.106 -3.042 -3.604 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.529 -2.714 -1.310 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.233 -2.606 -3.420 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.191 -2.278 -1.126 1.00 0.00 C ATOM 163 CZ PHE A 14 0.662 -2.233 -2.184 1.00 0.00 C ATOM 0 H PHE A 14 -5.771 -3.977 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.408 -1.657 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.746 -4.035 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.420 -4.316 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.447 -3.338 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.206 -2.750 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.910 -2.571 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.150 -1.982 -0.145 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.680 -1.901 -2.043 1.00 0.00 H new ATOM 173 N ALA A 15 -3.845 -2.628 -5.461 1.00 0.00 N ATOM 174 CA ALA A 15 -3.427 -2.160 -6.771 1.00 0.00 C ATOM 175 C ALA A 15 -4.134 -0.839 -7.085 1.00 0.00 C ATOM 176 O ALA A 15 -3.488 0.145 -7.442 1.00 0.00 O ATOM 177 CB ALA A 15 -3.717 -3.239 -7.816 1.00 0.00 C ATOM 0 H ALA A 15 -4.067 -3.622 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.353 -1.972 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.403 -2.887 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.169 -4.147 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.786 -3.453 -7.831 1.00 0.00 H new ATOM 183 N VAL A 16 -5.451 -0.861 -6.940 1.00 0.00 N ATOM 184 CA VAL A 16 -6.252 0.322 -7.204 1.00 0.00 C ATOM 185 C VAL A 16 -5.757 1.474 -6.326 1.00 0.00 C ATOM 186 O VAL A 16 -5.624 2.603 -6.795 1.00 0.00 O ATOM 187 CB VAL A 16 -7.734 0.007 -6.996 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.551 1.292 -6.840 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.277 -0.852 -8.139 1.00 0.00 C ATOM 0 H VAL A 16 -5.983 -1.679 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.142 0.634 -8.243 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.829 -0.565 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.601 1.040 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.188 1.851 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.446 1.901 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.333 -1.062 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.162 -0.317 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.723 -1.790 -8.184 1.00 0.00 H new ATOM 199 N LEU A 17 -5.498 1.148 -5.068 1.00 0.00 N ATOM 200 CA LEU A 17 -5.020 2.141 -4.121 1.00 0.00 C ATOM 201 C LEU A 17 -3.714 2.746 -4.638 1.00 0.00 C ATOM 202 O LEU A 17 -3.665 3.926 -4.982 1.00 0.00 O ATOM 203 CB LEU A 17 -4.906 1.535 -2.721 1.00 0.00 C ATOM 204 CG LEU A 17 -6.180 1.555 -1.875 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.162 0.437 -0.830 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.395 2.930 -1.240 1.00 0.00 C ATOM 0 H LEU A 17 -5.610 0.210 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.736 2.958 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.576 0.501 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.125 2.068 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.029 1.368 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.079 0.474 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.091 -0.528 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.303 0.568 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.307 2.917 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.547 3.172 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.484 3.683 -2.023 1.00 0.00 H new ATOM 218 N THR A 18 -2.686 1.910 -4.677 1.00 0.00 N ATOM 219 CA THR A 18 -1.383 2.348 -5.147 1.00 0.00 C ATOM 220 C THR A 18 -1.532 3.235 -6.384 1.00 0.00 C ATOM 221 O THR A 18 -1.094 4.385 -6.385 1.00 0.00 O ATOM 222 CB THR A 18 -0.526 1.104 -5.391 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.314 0.307 -6.271 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.378 0.240 -4.137 1.00 0.00 C ATOM 0 H THR A 18 -2.730 0.932 -4.391 1.00 0.00 H new ATOM 0 HA THR A 18 -0.881 2.966 -4.402 1.00 0.00 H new ATOM 0 HB THR A 18 0.461 1.406 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.264 0.498 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.239 -0.629 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.095 0.823 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.362 -0.090 -3.805 1.00 0.00 H new ATOM 232 N ALA A 19 -2.151 2.668 -7.409 1.00 0.00 N ATOM 233 CA ALA A 19 -2.363 3.393 -8.650 1.00 0.00 C ATOM 234 C ALA A 19 -2.980 4.758 -8.339 1.00 0.00 C ATOM 235 O ALA A 19 -2.393 5.793 -8.650 1.00 0.00 O ATOM 236 CB ALA A 19 -3.239 2.557 -9.586 1.00 0.00 C ATOM 0 H ALA A 19 -2.513 1.714 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.415 3.568 -9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.398 3.101 -10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.743 1.610 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.200 2.364 -9.109 1.00 0.00 H new ATOM 242 N GLU A 20 -4.155 4.716 -7.728 1.00 0.00 N ATOM 243 CA GLU A 20 -4.857 5.937 -7.372 1.00 0.00 C ATOM 244 C GLU A 20 -3.924 6.885 -6.617 1.00 0.00 C ATOM 245 O GLU A 20 -3.828 8.065 -6.952 1.00 0.00 O ATOM 246 CB GLU A 20 -6.109 5.629 -6.547 1.00 0.00 C ATOM 247 CG GLU A 20 -7.210 6.656 -6.818 1.00 0.00 C ATOM 248 CD GLU A 20 -8.046 6.908 -5.561 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.437 6.926 -4.469 1.00 0.00 O ATOM 250 OE2 GLU A 20 -9.274 7.076 -5.720 1.00 0.00 O ATOM 0 H GLU A 20 -4.638 3.855 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.178 6.429 -8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.471 4.630 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.859 5.630 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.764 7.591 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.854 6.300 -7.622 1.00 0.00 H new ATOM 257 N ILE A 21 -3.258 6.334 -5.613 1.00 0.00 N ATOM 258 CA ILE A 21 -2.335 7.116 -4.808 1.00 0.00 C ATOM 259 C ILE A 21 -1.242 7.694 -5.710 1.00 0.00 C ATOM 260 O ILE A 21 -1.120 8.911 -5.841 1.00 0.00 O ATOM 261 CB ILE A 21 -1.795 6.280 -3.646 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.925 5.851 -2.708 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.684 7.025 -2.904 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.401 4.929 -1.605 1.00 0.00 C ATOM 0 H ILE A 21 -3.339 5.355 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.851 7.960 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.354 5.371 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.386 6.732 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.701 5.339 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.318 6.409 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.135 7.236 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.076 7.962 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.224 4.639 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.962 4.038 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.643 5.453 -1.022 1.00 0.00 H new ATOM 276 N THR A 22 -0.476 6.794 -6.308 1.00 0.00 N ATOM 277 CA THR A 22 0.602 7.199 -7.193 1.00 0.00 C ATOM 278 C THR A 22 0.187 8.421 -8.016 1.00 0.00 C ATOM 279 O THR A 22 0.974 9.348 -8.197 1.00 0.00 O ATOM 280 CB THR A 22 0.989 5.992 -8.051 1.00 0.00 C ATOM 281 OG1 THR A 22 2.412 6.042 -8.098 1.00 0.00 O ATOM 282 CG2 THR A 22 0.561 6.151 -9.511 1.00 0.00 C ATOM 0 H THR A 22 -0.581 5.785 -6.197 1.00 0.00 H new ATOM 0 HA THR A 22 1.481 7.510 -6.628 1.00 0.00 H new ATOM 0 HB THR A 22 0.536 5.091 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.748 5.293 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.859 5.268 -10.076 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.522 6.266 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.040 7.033 -9.937 1.00 0.00 H new ATOM 290 N SER A 23 -1.049 8.381 -8.491 1.00 0.00 N ATOM 291 CA SER A 23 -1.579 9.474 -9.290 1.00 0.00 C ATOM 292 C SER A 23 -1.621 10.757 -8.458 1.00 0.00 C ATOM 293 O SER A 23 -0.951 11.735 -8.785 1.00 0.00 O ATOM 294 CB SER A 23 -2.974 9.140 -9.823 1.00 0.00 C ATOM 295 OG SER A 23 -3.039 7.823 -10.361 1.00 0.00 O ATOM 0 H SER A 23 -1.699 7.610 -8.338 1.00 0.00 H new ATOM 0 HA SER A 23 -0.920 9.625 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.703 9.239 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.250 9.860 -10.593 1.00 0.00 H new ATOM 0 HG SER A 23 -2.946 7.169 -9.637 1.00 0.00 H new ATOM 301 N LYS A 24 -2.416 10.713 -7.399 1.00 0.00 N ATOM 302 CA LYS A 24 -2.554 11.860 -6.518 1.00 0.00 C ATOM 303 C LYS A 24 -1.165 12.366 -6.125 1.00 0.00 C ATOM 304 O LYS A 24 -0.977 13.561 -5.899 1.00 0.00 O ATOM 305 CB LYS A 24 -3.444 11.513 -5.323 1.00 0.00 C ATOM 306 CG LYS A 24 -4.914 11.436 -5.737 1.00 0.00 C ATOM 307 CD LYS A 24 -5.485 10.040 -5.476 1.00 0.00 C ATOM 308 CE LYS A 24 -6.929 10.123 -4.977 1.00 0.00 C ATOM 309 NZ LYS A 24 -6.975 10.714 -3.621 1.00 0.00 N ATOM 0 H LYS A 24 -2.971 9.900 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.057 12.678 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.132 10.559 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.321 12.265 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.490 12.178 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.011 11.681 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.446 9.450 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.871 9.524 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.523 10.726 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.373 9.127 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.354 10.015 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.015 10.989 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.588 11.554 -3.629 1.00 0.00 H new ATOM 323 N ILE A 25 -0.228 11.432 -6.056 1.00 0.00 N ATOM 324 CA ILE A 25 1.139 11.769 -5.694 1.00 0.00 C ATOM 325 C ILE A 25 1.791 12.541 -6.843 1.00 0.00 C ATOM 326 O ILE A 25 2.602 13.436 -6.613 1.00 0.00 O ATOM 327 CB ILE A 25 1.909 10.513 -5.282 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.446 10.010 -3.913 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.419 10.757 -5.323 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.058 8.645 -3.594 1.00 0.00 C ATOM 0 H ILE A 25 -0.388 10.442 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 25 1.152 12.423 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 25 1.691 9.726 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.729 10.728 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.359 9.937 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.943 9.848 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.716 11.032 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.676 11.565 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.712 8.311 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.753 7.924 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.145 8.726 -3.587 1.00 0.00 H new ATOM 342 N ALA A 26 1.411 12.166 -8.056 1.00 0.00 N ATOM 343 CA ALA A 26 1.949 12.811 -9.241 1.00 0.00 C ATOM 344 C ALA A 26 1.142 14.077 -9.537 1.00 0.00 C ATOM 345 O ALA A 26 1.446 14.804 -10.482 1.00 0.00 O ATOM 346 CB ALA A 26 1.935 11.825 -10.411 1.00 0.00 C ATOM 0 H ALA A 26 0.737 11.424 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 26 2.985 13.109 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.339 12.310 -11.300 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.545 10.957 -10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.911 11.506 -10.605 1.00 0.00 H new ATOM 352 N ARG A 27 0.131 14.303 -8.712 1.00 0.00 N ATOM 353 CA ARG A 27 -0.721 15.468 -8.873 1.00 0.00 C ATOM 354 C ARG A 27 -0.510 16.445 -7.714 1.00 0.00 C ATOM 355 O ARG A 27 -0.895 17.610 -7.802 1.00 0.00 O ATOM 356 CB ARG A 27 -2.197 15.068 -8.931 1.00 0.00 C ATOM 357 CG ARG A 27 -2.645 14.832 -10.374 1.00 0.00 C ATOM 358 CD ARG A 27 -4.138 15.122 -10.540 1.00 0.00 C ATOM 359 NE ARG A 27 -4.631 14.533 -11.805 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.924 14.305 -12.073 1.00 0.00 C ATOM 361 NH1 ARG A 27 -6.862 14.614 -11.167 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.280 13.767 -13.248 1.00 0.00 N ATOM 0 H ARG A 27 -0.117 13.698 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.449 15.949 -9.813 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.355 14.163 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.807 15.851 -8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.070 15.470 -11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.438 13.800 -10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.693 14.710 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.310 16.198 -10.539 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.944 14.285 -12.517 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.592 15.023 -10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.846 14.440 -11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.567 13.531 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.264 13.593 -13.452 1.00 0.00 H new ATOM 376 N VAL A 28 0.101 15.934 -6.656 1.00 0.00 N ATOM 377 CA VAL A 28 0.368 16.747 -5.481 1.00 0.00 C ATOM 378 C VAL A 28 1.120 18.011 -5.902 1.00 0.00 C ATOM 379 O VAL A 28 0.716 19.121 -5.557 1.00 0.00 O ATOM 380 CB VAL A 28 1.123 15.923 -4.436 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.266 16.732 -3.821 1.00 0.00 C ATOM 382 CG2 VAL A 28 0.172 15.408 -3.353 1.00 0.00 C ATOM 0 H VAL A 28 0.419 14.967 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.565 17.063 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 28 1.557 15.060 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.786 16.123 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.965 17.028 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.863 17.623 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.734 14.825 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.304 16.253 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.592 14.778 -3.809 1.00 0.00 H new ATOM 392 N PRO A 29 2.228 17.796 -6.659 1.00 0.00 N ATOM 393 CA PRO A 29 3.040 18.906 -7.130 1.00 0.00 C ATOM 394 C PRO A 29 2.351 19.638 -8.284 1.00 0.00 C ATOM 395 O PRO A 29 2.897 20.595 -8.831 1.00 0.00 O ATOM 396 CB PRO A 29 4.366 18.281 -7.531 1.00 0.00 C ATOM 397 CG PRO A 29 4.091 16.796 -7.708 1.00 0.00 C ATOM 398 CD PRO A 29 2.737 16.496 -7.087 1.00 0.00 C ATOM 0 HA PRO A 29 3.190 19.671 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.742 18.721 -8.455 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.124 18.449 -6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.093 16.531 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.870 16.204 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.067 16.026 -7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.831 15.811 -6.244 1.00 0.00 H new ATOM 406 N ARG A 30 1.162 19.160 -8.620 1.00 0.00 N ATOM 407 CA ARG A 30 0.393 19.758 -9.698 1.00 0.00 C ATOM 408 C ARG A 30 -0.975 20.214 -9.185 1.00 0.00 C ATOM 409 O ARG A 30 -1.919 20.351 -9.962 1.00 0.00 O ATOM 410 CB ARG A 30 0.194 18.767 -10.847 1.00 0.00 C ATOM 411 CG ARG A 30 1.475 18.618 -11.670 1.00 0.00 C ATOM 412 CD ARG A 30 1.312 17.546 -12.750 1.00 0.00 C ATOM 413 NE ARG A 30 0.604 18.111 -13.921 1.00 0.00 N ATOM 414 CZ ARG A 30 0.288 17.409 -15.017 1.00 0.00 C ATOM 415 NH1 ARG A 30 0.614 16.112 -15.100 1.00 0.00 N ATOM 416 NH2 ARG A 30 -0.354 18.004 -16.032 1.00 0.00 N ATOM 0 H ARG A 30 0.712 18.366 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 30 0.952 20.618 -10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.101 17.797 -10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.618 19.108 -11.490 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.726 19.572 -12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.305 18.355 -11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.290 17.171 -13.052 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.754 16.698 -12.352 1.00 0.00 H new ATOM 0 HE ARG A 30 0.341 19.096 -13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.103 15.659 -14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.373 15.578 -15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.602 18.991 -15.970 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.595 17.469 -16.867 1.00 0.00 H new ATOM 430 N LEU A 31 -1.038 20.437 -7.881 1.00 0.00 N ATOM 431 CA LEU A 31 -2.274 20.876 -7.255 1.00 0.00 C ATOM 432 C LEU A 31 -2.002 22.130 -6.423 1.00 0.00 C ATOM 433 O LEU A 31 -0.858 22.405 -6.063 1.00 0.00 O ATOM 434 CB LEU A 31 -2.905 19.733 -6.457 1.00 0.00 C ATOM 435 CG LEU A 31 -3.621 18.658 -7.277 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.932 17.430 -6.419 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.877 19.224 -7.944 1.00 0.00 C ATOM 0 H LEU A 31 -0.253 20.322 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.009 21.149 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.123 19.252 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.618 20.159 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.951 18.333 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.441 16.681 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.003 17.012 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.574 17.720 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.367 18.440 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.560 19.593 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.599 20.043 -8.608 1.00 0.00 H new ATOM 449 N PRO A 32 -3.101 22.877 -6.133 1.00 0.00 N ATOM 450 CA PRO A 32 -2.992 24.096 -5.350 1.00 0.00 C ATOM 451 C PRO A 32 -2.775 23.778 -3.869 1.00 0.00 C ATOM 452 O PRO A 32 -2.842 22.619 -3.462 1.00 0.00 O ATOM 453 CB PRO A 32 -4.286 24.848 -5.612 1.00 0.00 C ATOM 454 CG PRO A 32 -5.264 23.820 -6.157 1.00 0.00 C ATOM 455 CD PRO A 32 -4.471 22.581 -6.542 1.00 0.00 C ATOM 0 HA PRO A 32 -2.131 24.702 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.666 25.301 -4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.130 25.656 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.016 23.574 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.794 24.218 -7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.852 21.694 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.532 22.389 -7.613 1.00 0.00 H new ATOM 463 N PRO A 33 -2.512 24.856 -3.082 1.00 0.00 N ATOM 464 CA PRO A 33 -2.285 24.704 -1.655 1.00 0.00 C ATOM 465 C PRO A 33 -3.598 24.441 -0.916 1.00 0.00 C ATOM 466 O PRO A 33 -3.610 24.310 0.307 1.00 0.00 O ATOM 467 CB PRO A 33 -1.609 25.996 -1.225 1.00 0.00 C ATOM 468 CG PRO A 33 -1.902 27.006 -2.323 1.00 0.00 C ATOM 469 CD PRO A 33 -2.426 26.244 -3.529 1.00 0.00 C ATOM 0 HA PRO A 33 -1.659 23.844 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.996 26.339 -0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.535 25.853 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.637 27.736 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.000 27.559 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.400 26.620 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.756 26.344 -4.383 1.00 0.00 H new ATOM 477 N ASP A 34 -4.672 24.371 -1.689 1.00 0.00 N ATOM 478 CA ASP A 34 -5.987 24.125 -1.122 1.00 0.00 C ATOM 479 C ASP A 34 -6.357 22.654 -1.322 1.00 0.00 C ATOM 480 O ASP A 34 -6.797 21.988 -0.386 1.00 0.00 O ATOM 481 CB ASP A 34 -7.052 24.979 -1.813 1.00 0.00 C ATOM 482 CG ASP A 34 -7.031 26.463 -1.443 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.171 26.829 -0.614 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.877 27.198 -1.998 1.00 0.00 O ATOM 0 H ASP A 34 -4.658 24.480 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.951 24.380 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.926 24.887 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.034 24.574 -1.571 1.00 0.00 H new ATOM 489 N GLU A 35 -6.165 22.190 -2.548 1.00 0.00 N ATOM 490 CA GLU A 35 -6.474 20.810 -2.882 1.00 0.00 C ATOM 491 C GLU A 35 -5.314 19.895 -2.484 1.00 0.00 C ATOM 492 O GLU A 35 -5.529 18.756 -2.074 1.00 0.00 O ATOM 493 CB GLU A 35 -6.799 20.666 -4.370 1.00 0.00 C ATOM 494 CG GLU A 35 -8.296 20.435 -4.584 1.00 0.00 C ATOM 495 CD GLU A 35 -8.636 18.944 -4.520 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.184 18.220 -5.433 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.339 18.563 -3.560 1.00 0.00 O ATOM 0 H GLU A 35 -5.799 22.745 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.358 20.510 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.486 21.564 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.235 19.833 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.863 20.974 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.595 20.839 -5.551 1.00 0.00 H new ATOM 504 N LYS A 36 -4.108 20.429 -2.618 1.00 0.00 N ATOM 505 CA LYS A 36 -2.914 19.675 -2.277 1.00 0.00 C ATOM 506 C LYS A 36 -3.059 19.110 -0.862 1.00 0.00 C ATOM 507 O LYS A 36 -2.985 17.899 -0.663 1.00 0.00 O ATOM 508 CB LYS A 36 -1.664 20.535 -2.470 1.00 0.00 C ATOM 509 CG LYS A 36 -0.405 19.779 -2.040 1.00 0.00 C ATOM 510 CD LYS A 36 0.839 20.352 -2.721 1.00 0.00 C ATOM 511 CE LYS A 36 1.950 20.614 -1.702 1.00 0.00 C ATOM 512 NZ LYS A 36 1.837 21.985 -1.154 1.00 0.00 N ATOM 0 H LYS A 36 -3.933 21.375 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.795 18.825 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.577 20.827 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.757 21.453 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.292 19.840 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.507 18.723 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.195 19.657 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.583 21.280 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.889 19.886 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.923 20.484 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.598 22.147 -0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.918 22.676 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.915 22.097 -0.685 1.00 0.00 H new ATOM 526 N LYS A 37 -3.264 20.015 0.083 1.00 0.00 N ATOM 527 CA LYS A 37 -3.420 19.622 1.474 1.00 0.00 C ATOM 528 C LYS A 37 -4.256 18.342 1.547 1.00 0.00 C ATOM 529 O LYS A 37 -3.776 17.309 2.010 1.00 0.00 O ATOM 530 CB LYS A 37 -3.993 20.778 2.296 1.00 0.00 C ATOM 531 CG LYS A 37 -3.151 21.030 3.548 1.00 0.00 C ATOM 532 CD LYS A 37 -2.334 22.316 3.410 1.00 0.00 C ATOM 533 CE LYS A 37 -0.915 22.015 2.923 1.00 0.00 C ATOM 534 NZ LYS A 37 0.039 22.049 4.054 1.00 0.00 N ATOM 0 H LYS A 37 -3.326 21.019 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.450 19.396 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.025 21.681 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.020 20.551 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.801 21.100 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.482 20.186 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.827 22.991 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.291 22.829 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.888 21.035 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.620 22.745 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.997 21.843 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.025 22.992 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.234 21.336 4.760 1.00 0.00 H new ATOM 548 N GLN A 38 -5.492 18.453 1.082 1.00 0.00 N ATOM 549 CA GLN A 38 -6.398 17.318 1.089 1.00 0.00 C ATOM 550 C GLN A 38 -5.719 16.092 0.475 1.00 0.00 C ATOM 551 O GLN A 38 -5.642 15.039 1.106 1.00 0.00 O ATOM 552 CB GLN A 38 -7.698 17.650 0.354 1.00 0.00 C ATOM 553 CG GLN A 38 -8.418 18.826 1.016 1.00 0.00 C ATOM 554 CD GLN A 38 -9.250 18.357 2.212 1.00 0.00 C ATOM 555 OE1 GLN A 38 -10.426 18.053 2.102 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.575 18.316 3.357 1.00 0.00 N ATOM 0 H GLN A 38 -5.887 19.312 0.698 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.652 17.088 2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.480 17.892 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.350 16.776 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.688 19.566 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.065 19.317 0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.591 18.584 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.041 18.016 4.213 1.00 0.00 H new ATOM 565 N MET A 39 -5.244 16.270 -0.749 1.00 0.00 N ATOM 566 CA MET A 39 -4.573 15.191 -1.455 1.00 0.00 C ATOM 567 C MET A 39 -3.420 14.625 -0.624 1.00 0.00 C ATOM 568 O MET A 39 -3.190 13.417 -0.617 1.00 0.00 O ATOM 569 CB MET A 39 -4.034 15.712 -2.789 1.00 0.00 C ATOM 570 CG MET A 39 -3.188 14.648 -3.491 1.00 0.00 C ATOM 571 SD MET A 39 -3.413 14.759 -5.259 1.00 0.00 S ATOM 572 CE MET A 39 -5.192 14.651 -5.352 1.00 0.00 C ATOM 0 H MET A 39 -5.310 17.145 -1.270 1.00 0.00 H new ATOM 0 HA MET A 39 -5.294 14.393 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.864 16.004 -3.432 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.433 16.605 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.136 14.784 -3.241 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.473 13.656 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.478 14.135 -6.269 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.568 14.097 -4.492 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.618 15.654 -5.352 1.00 0.00 H new ATOM 582 N VAL A 40 -2.726 15.525 0.057 1.00 0.00 N ATOM 583 CA VAL A 40 -1.602 15.130 0.890 1.00 0.00 C ATOM 584 C VAL A 40 -2.125 14.422 2.141 1.00 0.00 C ATOM 585 O VAL A 40 -1.343 13.919 2.946 1.00 0.00 O ATOM 586 CB VAL A 40 -0.735 16.349 1.211 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.356 15.995 2.223 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.130 16.942 -0.063 1.00 0.00 C ATOM 0 H VAL A 40 -2.920 16.526 0.049 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.963 14.424 0.360 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.376 17.107 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.958 16.879 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.104 15.641 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.993 15.212 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.482 17.807 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.490 16.192 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.930 17.250 -0.736 1.00 0.00 H new ATOM 598 N ALA A 41 -3.444 14.405 2.265 1.00 0.00 N ATOM 599 CA ALA A 41 -4.080 13.767 3.405 1.00 0.00 C ATOM 600 C ALA A 41 -4.773 12.483 2.944 1.00 0.00 C ATOM 601 O ALA A 41 -4.603 11.428 3.555 1.00 0.00 O ATOM 602 CB ALA A 41 -5.051 14.749 4.064 1.00 0.00 C ATOM 0 H ALA A 41 -4.090 14.823 1.595 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.338 13.491 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.528 14.270 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.505 15.631 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.813 15.047 3.343 1.00 0.00 H new ATOM 608 N ASN A 42 -5.538 12.614 1.871 1.00 0.00 N ATOM 609 CA ASN A 42 -6.257 11.477 1.321 1.00 0.00 C ATOM 610 C ASN A 42 -5.276 10.330 1.072 1.00 0.00 C ATOM 611 O ASN A 42 -5.604 9.167 1.300 1.00 0.00 O ATOM 612 CB ASN A 42 -6.915 11.834 -0.013 1.00 0.00 C ATOM 613 CG ASN A 42 -7.999 10.819 -0.379 1.00 0.00 C ATOM 614 OD1 ASN A 42 -7.748 9.802 -1.004 1.00 0.00 O ATOM 615 ND2 ASN A 42 -9.216 11.151 0.043 1.00 0.00 N ATOM 0 H ASN A 42 -5.676 13.490 1.367 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.026 11.187 2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.351 12.831 0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.160 11.864 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.008 10.539 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.357 12.018 0.562 1.00 0.00 H new ATOM 622 N VAL A 43 -4.090 10.698 0.608 1.00 0.00 N ATOM 623 CA VAL A 43 -3.059 9.715 0.325 1.00 0.00 C ATOM 624 C VAL A 43 -2.601 9.071 1.636 1.00 0.00 C ATOM 625 O VAL A 43 -2.449 7.853 1.714 1.00 0.00 O ATOM 626 CB VAL A 43 -1.914 10.366 -0.452 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.672 9.473 -0.450 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.344 10.704 -1.881 1.00 0.00 C ATOM 0 H VAL A 43 -3.821 11.664 0.421 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.453 8.920 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.656 11.299 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.127 9.960 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.346 9.305 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.911 8.517 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.512 11.166 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.642 9.791 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.186 11.396 -1.854 1.00 0.00 H new ATOM 638 N GLU A 44 -2.395 9.919 2.634 1.00 0.00 N ATOM 639 CA GLU A 44 -1.958 9.448 3.937 1.00 0.00 C ATOM 640 C GLU A 44 -2.824 8.272 4.395 1.00 0.00 C ATOM 641 O GLU A 44 -2.366 7.415 5.148 1.00 0.00 O ATOM 642 CB GLU A 44 -1.983 10.580 4.966 1.00 0.00 C ATOM 643 CG GLU A 44 -0.797 11.527 4.767 1.00 0.00 C ATOM 644 CD GLU A 44 0.062 11.602 6.031 1.00 0.00 C ATOM 645 OE1 GLU A 44 -0.346 12.343 6.951 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.107 10.917 6.048 1.00 0.00 O ATOM 0 H GLU A 44 -2.523 10.929 2.566 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.928 9.103 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.916 11.136 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.955 10.162 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.189 11.184 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.160 12.522 4.510 1.00 0.00 H new ATOM 653 N LYS A 45 -4.061 8.270 3.920 1.00 0.00 N ATOM 654 CA LYS A 45 -4.995 7.214 4.270 1.00 0.00 C ATOM 655 C LYS A 45 -4.784 6.021 3.336 1.00 0.00 C ATOM 656 O LYS A 45 -4.316 4.967 3.765 1.00 0.00 O ATOM 657 CB LYS A 45 -6.430 7.747 4.273 1.00 0.00 C ATOM 658 CG LYS A 45 -7.090 7.538 5.638 1.00 0.00 C ATOM 659 CD LYS A 45 -6.406 8.386 6.713 1.00 0.00 C ATOM 660 CE LYS A 45 -7.140 8.272 8.050 1.00 0.00 C ATOM 661 NZ LYS A 45 -8.341 9.137 8.058 1.00 0.00 N ATOM 0 H LYS A 45 -4.438 8.983 3.296 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.808 6.861 5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.428 8.808 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.011 7.241 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.146 7.801 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.039 6.485 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.372 8.063 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.379 9.429 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.430 7.236 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.473 8.558 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.827 9.047 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.057 10.127 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.984 8.845 7.294 1.00 0.00 H new ATOM 675 N GLN A 46 -5.140 6.226 2.076 1.00 0.00 N ATOM 676 CA GLN A 46 -4.995 5.181 1.078 1.00 0.00 C ATOM 677 C GLN A 46 -3.694 4.408 1.303 1.00 0.00 C ATOM 678 O GLN A 46 -3.641 3.198 1.087 1.00 0.00 O ATOM 679 CB GLN A 46 -5.051 5.762 -0.336 1.00 0.00 C ATOM 680 CG GLN A 46 -6.386 6.465 -0.588 1.00 0.00 C ATOM 681 CD GLN A 46 -7.561 5.517 -0.339 1.00 0.00 C ATOM 682 OE1 GLN A 46 -8.100 4.905 -1.246 1.00 0.00 O ATOM 683 NE2 GLN A 46 -7.925 5.431 0.937 1.00 0.00 N ATOM 0 H GLN A 46 -5.529 7.101 1.724 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.829 4.487 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.232 6.468 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.912 4.965 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.472 7.335 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.420 6.831 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.430 5.972 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.699 4.824 1.207 1.00 0.00 H new ATOM 692 N LEU A 47 -2.676 5.139 1.734 1.00 0.00 N ATOM 693 CA LEU A 47 -1.379 4.537 1.991 1.00 0.00 C ATOM 694 C LEU A 47 -1.476 3.630 3.219 1.00 0.00 C ATOM 695 O LEU A 47 -1.231 2.429 3.128 1.00 0.00 O ATOM 696 CB LEU A 47 -0.301 5.617 2.108 1.00 0.00 C ATOM 697 CG LEU A 47 0.172 6.238 0.791 1.00 0.00 C ATOM 698 CD1 LEU A 47 0.976 7.514 1.045 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.955 5.223 -0.043 1.00 0.00 C ATOM 0 H LEU A 47 -2.723 6.142 1.912 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.079 3.908 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.681 6.414 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.563 5.187 2.615 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.706 6.521 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.300 7.935 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.353 8.239 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.849 7.279 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.279 5.689 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.827 4.887 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.317 4.368 -0.269 1.00 0.00 H new ATOM 711 N GLU A 48 -1.835 4.241 4.339 1.00 0.00 N ATOM 712 CA GLU A 48 -1.967 3.503 5.584 1.00 0.00 C ATOM 713 C GLU A 48 -2.939 2.335 5.408 1.00 0.00 C ATOM 714 O GLU A 48 -2.879 1.355 6.149 1.00 0.00 O ATOM 715 CB GLU A 48 -2.416 4.423 6.721 1.00 0.00 C ATOM 716 CG GLU A 48 -3.939 4.405 6.872 1.00 0.00 C ATOM 717 CD GLU A 48 -4.391 5.355 7.983 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.716 5.361 9.035 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.401 6.055 7.754 1.00 0.00 O ATOM 0 H GLU A 48 -2.038 5.238 4.410 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.990 3.100 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.951 4.107 7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.078 5.441 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.405 4.694 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.274 3.392 7.096 1.00 0.00 H new ATOM 726 N GLU A 49 -3.812 2.476 4.421 1.00 0.00 N ATOM 727 CA GLU A 49 -4.795 1.445 4.138 1.00 0.00 C ATOM 728 C GLU A 49 -4.130 0.252 3.448 1.00 0.00 C ATOM 729 O GLU A 49 -4.208 -0.874 3.936 1.00 0.00 O ATOM 730 CB GLU A 49 -5.942 1.998 3.290 1.00 0.00 C ATOM 731 CG GLU A 49 -6.766 3.017 4.080 1.00 0.00 C ATOM 732 CD GLU A 49 -7.070 2.503 5.489 1.00 0.00 C ATOM 733 OE1 GLU A 49 -7.494 1.331 5.585 1.00 0.00 O ATOM 734 OE2 GLU A 49 -6.871 3.293 6.437 1.00 0.00 O ATOM 0 H GLU A 49 -3.859 3.289 3.807 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.217 1.105 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.541 2.467 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.584 1.180 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.222 3.960 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.699 3.221 3.555 1.00 0.00 H new ATOM 741 N ALA A 50 -3.490 0.541 2.324 1.00 0.00 N ATOM 742 CA ALA A 50 -2.811 -0.494 1.563 1.00 0.00 C ATOM 743 C ALA A 50 -1.762 -1.168 2.449 1.00 0.00 C ATOM 744 O ALA A 50 -1.426 -2.333 2.243 1.00 0.00 O ATOM 745 CB ALA A 50 -2.202 0.118 0.300 1.00 0.00 C ATOM 0 H ALA A 50 -3.427 1.477 1.922 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.516 -1.262 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.693 -0.658 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.992 0.557 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.487 0.892 0.579 1.00 0.00 H new ATOM 751 N ARG A 51 -1.272 -0.406 3.416 1.00 0.00 N ATOM 752 CA ARG A 51 -0.267 -0.915 4.334 1.00 0.00 C ATOM 753 C ARG A 51 -0.782 -2.171 5.040 1.00 0.00 C ATOM 754 O ARG A 51 -0.034 -3.128 5.233 1.00 0.00 O ATOM 755 CB ARG A 51 0.103 0.136 5.382 1.00 0.00 C ATOM 756 CG ARG A 51 1.067 1.173 4.802 1.00 0.00 C ATOM 757 CD ARG A 51 2.079 1.631 5.855 1.00 0.00 C ATOM 758 NE ARG A 51 1.757 3.004 6.303 1.00 0.00 N ATOM 759 CZ ARG A 51 0.897 3.290 7.290 1.00 0.00 C ATOM 760 NH1 ARG A 51 0.269 2.301 7.939 1.00 0.00 N ATOM 761 NH2 ARG A 51 0.667 4.566 7.629 1.00 0.00 N ATOM 0 H ARG A 51 -1.552 0.560 3.584 1.00 0.00 H new ATOM 0 HA ARG A 51 0.622 -1.160 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.799 0.633 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.561 -0.350 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.593 0.748 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.505 2.032 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.065 0.949 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.086 1.602 5.440 1.00 0.00 H new ATOM 0 HE ARG A 51 2.219 3.781 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.445 1.330 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.386 2.519 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.147 5.319 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.012 4.784 8.380 1.00 0.00 H new ATOM 775 N GLU A 52 -2.054 -2.126 5.406 1.00 0.00 N ATOM 776 CA GLU A 52 -2.677 -3.249 6.087 1.00 0.00 C ATOM 777 C GLU A 52 -2.806 -4.440 5.136 1.00 0.00 C ATOM 778 O GLU A 52 -2.761 -5.591 5.568 1.00 0.00 O ATOM 779 CB GLU A 52 -4.039 -2.855 6.661 1.00 0.00 C ATOM 780 CG GLU A 52 -5.147 -3.040 5.621 1.00 0.00 C ATOM 781 CD GLU A 52 -5.762 -4.438 5.720 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.571 -4.637 6.652 1.00 0.00 O ATOM 783 OE2 GLU A 52 -5.410 -5.275 4.861 1.00 0.00 O ATOM 0 H GLU A 52 -2.671 -1.330 5.244 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.040 -3.542 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.256 -3.461 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.013 -1.816 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.921 -2.287 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.742 -2.887 4.621 1.00 0.00 H new ATOM 790 N LEU A 53 -2.965 -4.124 3.859 1.00 0.00 N ATOM 791 CA LEU A 53 -3.101 -5.154 2.844 1.00 0.00 C ATOM 792 C LEU A 53 -1.831 -6.006 2.814 1.00 0.00 C ATOM 793 O LEU A 53 -1.884 -7.214 3.037 1.00 0.00 O ATOM 794 CB LEU A 53 -3.455 -4.531 1.492 1.00 0.00 C ATOM 795 CG LEU A 53 -4.936 -4.561 1.107 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.374 -3.223 0.509 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.234 -5.733 0.170 1.00 0.00 C ATOM 0 H LEU A 53 -3.003 -3.168 3.504 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.928 -5.821 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.121 -3.493 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.888 -5.047 0.717 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.522 -4.716 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.430 -3.271 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.219 -2.430 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.785 -3.013 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.293 -5.732 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.639 -5.634 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.983 -6.670 0.668 1.00 0.00 H new ATOM 809 N LEU A 54 -0.718 -5.342 2.538 1.00 0.00 N ATOM 810 CA LEU A 54 0.564 -6.024 2.476 1.00 0.00 C ATOM 811 C LEU A 54 0.693 -6.967 3.673 1.00 0.00 C ATOM 812 O LEU A 54 1.263 -8.051 3.555 1.00 0.00 O ATOM 813 CB LEU A 54 1.705 -5.010 2.366 1.00 0.00 C ATOM 814 CG LEU A 54 1.661 -4.080 1.151 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.068 -3.629 0.756 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.921 -4.737 -0.016 1.00 0.00 C ATOM 0 H LEU A 54 -0.677 -4.339 2.355 1.00 0.00 H new ATOM 0 HA LEU A 54 0.626 -6.638 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.708 -4.397 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.649 -5.555 2.347 1.00 0.00 H new ATOM 0 HG LEU A 54 1.101 -3.186 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.009 -2.969 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.526 -3.095 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.673 -4.501 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.904 -4.055 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.432 -5.657 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.101 -4.967 0.285 1.00 0.00 H new ATOM 828 N GLU A 55 0.154 -6.521 4.798 1.00 0.00 N ATOM 829 CA GLU A 55 0.202 -7.312 6.016 1.00 0.00 C ATOM 830 C GLU A 55 -0.610 -8.598 5.847 1.00 0.00 C ATOM 831 O GLU A 55 -0.066 -9.697 5.935 1.00 0.00 O ATOM 832 CB GLU A 55 -0.295 -6.503 7.216 1.00 0.00 C ATOM 833 CG GLU A 55 0.755 -6.469 8.328 1.00 0.00 C ATOM 834 CD GLU A 55 0.167 -6.960 9.652 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.949 -6.502 9.982 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.846 -7.782 10.305 1.00 0.00 O ATOM 0 H GLU A 55 -0.318 -5.622 4.892 1.00 0.00 H new ATOM 0 HA GLU A 55 1.240 -7.584 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.529 -5.486 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.218 -6.940 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.605 -7.092 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.131 -5.453 8.447 1.00 0.00 H new ATOM 843 N GLN A 56 -1.900 -8.417 5.605 1.00 0.00 N ATOM 844 CA GLN A 56 -2.793 -9.548 5.422 1.00 0.00 C ATOM 845 C GLN A 56 -2.324 -10.411 4.249 1.00 0.00 C ATOM 846 O GLN A 56 -2.340 -11.638 4.331 1.00 0.00 O ATOM 847 CB GLN A 56 -4.236 -9.081 5.217 1.00 0.00 C ATOM 848 CG GLN A 56 -4.774 -8.394 6.474 1.00 0.00 C ATOM 849 CD GLN A 56 -5.243 -9.425 7.503 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.004 -10.332 7.209 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.748 -9.235 8.723 1.00 0.00 N ATOM 0 H GLN A 56 -2.348 -7.504 5.531 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.768 -10.155 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.283 -8.392 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.866 -9.934 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.997 -7.766 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.602 -7.737 6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.115 -8.455 8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.001 -9.869 9.481 1.00 0.00 H new ATOM 860 N MET A 57 -1.916 -9.735 3.185 1.00 0.00 N ATOM 861 CA MET A 57 -1.443 -10.424 1.997 1.00 0.00 C ATOM 862 C MET A 57 -0.259 -11.335 2.326 1.00 0.00 C ATOM 863 O MET A 57 -0.236 -12.498 1.926 1.00 0.00 O ATOM 864 CB MET A 57 -1.019 -9.396 0.945 1.00 0.00 C ATOM 865 CG MET A 57 -2.238 -8.698 0.338 1.00 0.00 C ATOM 866 SD MET A 57 -1.879 -8.188 -1.334 1.00 0.00 S ATOM 867 CE MET A 57 -1.382 -6.499 -1.043 1.00 0.00 C ATOM 0 H MET A 57 -1.903 -8.717 3.121 1.00 0.00 H new ATOM 0 HA MET A 57 -2.255 -11.040 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.360 -8.656 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.449 -9.890 0.158 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.095 -9.372 0.345 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.509 -7.831 0.941 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.555 -6.244 -1.706 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.223 -5.834 -1.238 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.064 -6.387 -0.007 1.00 0.00 H new ATOM 877 N ASP A 58 0.695 -10.773 3.053 1.00 0.00 N ATOM 878 CA ASP A 58 1.879 -11.520 3.441 1.00 0.00 C ATOM 879 C ASP A 58 1.506 -12.530 4.529 1.00 0.00 C ATOM 880 O ASP A 58 1.940 -13.680 4.488 1.00 0.00 O ATOM 881 CB ASP A 58 2.956 -10.592 4.007 1.00 0.00 C ATOM 882 CG ASP A 58 4.385 -11.130 3.919 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.791 -11.481 2.790 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.040 -11.178 4.982 1.00 0.00 O ATOM 0 H ASP A 58 0.672 -9.808 3.384 1.00 0.00 H new ATOM 0 HA ASP A 58 2.266 -12.022 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.909 -9.640 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.725 -10.387 5.052 1.00 0.00 H new ATOM 889 N LEU A 59 0.706 -12.062 5.476 1.00 0.00 N ATOM 890 CA LEU A 59 0.270 -12.910 6.572 1.00 0.00 C ATOM 891 C LEU A 59 -0.596 -14.044 6.021 1.00 0.00 C ATOM 892 O LEU A 59 -0.892 -15.005 6.730 1.00 0.00 O ATOM 893 CB LEU A 59 -0.424 -12.075 7.651 1.00 0.00 C ATOM 894 CG LEU A 59 0.492 -11.438 8.698 1.00 0.00 C ATOM 895 CD1 LEU A 59 1.312 -10.299 8.090 1.00 0.00 C ATOM 896 CD2 LEU A 59 -0.307 -10.980 9.920 1.00 0.00 C ATOM 0 H LEU A 59 0.349 -11.107 5.507 1.00 0.00 H new ATOM 0 HA LEU A 59 1.128 -13.372 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.990 -11.282 7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.145 -12.710 8.166 1.00 0.00 H new ATOM 0 HG LEU A 59 1.198 -12.195 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.954 -9.864 8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.927 -10.687 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.640 -9.533 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.368 -10.531 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.051 -10.245 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.808 -11.837 10.370 1.00 0.00 H new ATOM 908 N GLU A 60 -0.979 -13.895 4.761 1.00 0.00 N ATOM 909 CA GLU A 60 -1.805 -14.895 4.107 1.00 0.00 C ATOM 910 C GLU A 60 -0.948 -15.780 3.199 1.00 0.00 C ATOM 911 O GLU A 60 -0.905 -16.997 3.373 1.00 0.00 O ATOM 912 CB GLU A 60 -2.940 -14.239 3.320 1.00 0.00 C ATOM 913 CG GLU A 60 -3.990 -13.645 4.262 1.00 0.00 C ATOM 914 CD GLU A 60 -5.219 -14.552 4.355 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.148 -15.525 5.137 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.201 -14.252 3.643 1.00 0.00 O ATOM 0 H GLU A 60 -0.732 -13.097 4.176 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.256 -15.524 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.537 -13.455 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.408 -14.976 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.558 -13.509 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.287 -12.659 3.905 1.00 0.00 H new ATOM 923 N VAL A 61 -0.287 -15.134 2.249 1.00 0.00 N ATOM 924 CA VAL A 61 0.565 -15.847 1.314 1.00 0.00 C ATOM 925 C VAL A 61 1.458 -16.821 2.085 1.00 0.00 C ATOM 926 O VAL A 61 1.881 -17.842 1.544 1.00 0.00 O ATOM 927 CB VAL A 61 1.360 -14.851 0.466 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.809 -15.311 0.294 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.690 -14.630 -0.891 1.00 0.00 C ATOM 0 H VAL A 61 -0.325 -14.125 2.107 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.037 -16.436 0.622 1.00 0.00 H new ATOM 0 HB VAL A 61 1.372 -13.897 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.351 -14.586 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.283 -15.393 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.826 -16.282 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.275 -13.918 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.632 -15.577 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.315 -14.237 -0.741 1.00 0.00 H new ATOM 939 N ARG A 62 1.719 -16.472 3.336 1.00 0.00 N ATOM 940 CA ARG A 62 2.554 -17.303 4.186 1.00 0.00 C ATOM 941 C ARG A 62 1.914 -18.679 4.376 1.00 0.00 C ATOM 942 O ARG A 62 2.614 -19.688 4.450 1.00 0.00 O ATOM 943 CB ARG A 62 2.765 -16.653 5.555 1.00 0.00 C ATOM 944 CG ARG A 62 4.221 -16.220 5.739 1.00 0.00 C ATOM 945 CD ARG A 62 4.342 -15.150 6.826 1.00 0.00 C ATOM 946 NE ARG A 62 5.075 -15.694 7.991 1.00 0.00 N ATOM 947 CZ ARG A 62 5.685 -14.938 8.915 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.652 -13.602 8.815 1.00 0.00 N ATOM 949 NH2 ARG A 62 6.326 -15.518 9.938 1.00 0.00 N ATOM 0 H ARG A 62 1.367 -15.625 3.781 1.00 0.00 H new ATOM 0 HA ARG A 62 3.521 -17.413 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.109 -15.788 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.489 -17.355 6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.830 -17.084 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.611 -15.833 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.864 -14.277 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.350 -14.817 7.133 1.00 0.00 H new ATOM 0 HE ARG A 62 5.119 -16.707 8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.163 -13.161 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.116 -13.026 9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.350 -16.535 10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.790 -14.943 10.641 1.00 0.00 H new ATOM 963 N GLU A 63 0.591 -18.677 4.450 1.00 0.00 N ATOM 964 CA GLU A 63 -0.151 -19.913 4.630 1.00 0.00 C ATOM 965 C GLU A 63 -0.296 -20.644 3.294 1.00 0.00 C ATOM 966 O GLU A 63 -0.452 -21.864 3.263 1.00 0.00 O ATOM 967 CB GLU A 63 -1.519 -19.645 5.260 1.00 0.00 C ATOM 968 CG GLU A 63 -2.537 -19.222 4.199 1.00 0.00 C ATOM 969 CD GLU A 63 -3.478 -20.378 3.851 1.00 0.00 C ATOM 970 OE1 GLU A 63 -2.953 -21.424 3.412 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.700 -20.188 4.032 1.00 0.00 O ATOM 0 H GLU A 63 0.014 -17.838 4.389 1.00 0.00 H new ATOM 0 HA GLU A 63 0.407 -20.553 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.871 -20.542 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.429 -18.864 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.116 -18.374 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.016 -18.890 3.301 1.00 0.00 H new ATOM 978 N ILE A 64 -0.239 -19.868 2.222 1.00 0.00 N ATOM 979 CA ILE A 64 -0.362 -20.426 0.886 1.00 0.00 C ATOM 980 C ILE A 64 0.755 -21.446 0.659 1.00 0.00 C ATOM 981 O ILE A 64 1.887 -21.240 1.096 1.00 0.00 O ATOM 982 CB ILE A 64 -0.398 -19.310 -0.160 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.663 -18.462 -0.014 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.249 -19.878 -1.573 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.973 -17.711 -1.310 1.00 0.00 C ATOM 0 H ILE A 64 -0.109 -18.857 2.251 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.307 -20.959 0.782 1.00 0.00 H new ATOM 0 HB ILE A 64 0.453 -18.651 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.505 -19.102 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.536 -17.750 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.278 -19.064 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.702 -20.403 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.065 -20.572 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.877 -17.116 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.139 -17.054 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.124 -18.427 -2.118 1.00 0.00 H new ATOM 997 N PRO A 65 0.390 -22.553 -0.042 1.00 0.00 N ATOM 998 CA PRO A 65 1.349 -23.605 -0.332 1.00 0.00 C ATOM 999 C PRO A 65 2.313 -23.178 -1.441 1.00 0.00 C ATOM 1000 O PRO A 65 2.058 -22.205 -2.149 1.00 0.00 O ATOM 1001 CB PRO A 65 0.506 -24.812 -0.709 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.867 -24.267 -1.067 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.940 -22.831 -0.574 1.00 0.00 C ATOM 0 HA PRO A 65 1.992 -23.835 0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.945 -25.347 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.442 -25.518 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.026 -24.309 -2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.649 -24.870 -0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.193 -22.147 -1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.706 -22.714 0.193 1.00 0.00 H new ATOM 1011 N PRO A 66 3.428 -23.947 -1.561 1.00 0.00 N ATOM 1012 CA PRO A 66 4.431 -23.659 -2.572 1.00 0.00 C ATOM 1013 C PRO A 66 3.947 -24.083 -3.960 1.00 0.00 C ATOM 1014 O PRO A 66 4.680 -23.961 -4.941 1.00 0.00 O ATOM 1015 CB PRO A 66 5.672 -24.410 -2.120 1.00 0.00 C ATOM 1016 CG PRO A 66 5.188 -25.459 -1.132 1.00 0.00 C ATOM 1017 CD PRO A 66 3.763 -25.107 -0.740 1.00 0.00 C ATOM 0 HA PRO A 66 4.640 -22.593 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.177 -24.875 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.389 -23.735 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.227 -26.452 -1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.832 -25.481 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.083 -25.937 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.691 -24.874 0.322 1.00 0.00 H new ATOM 1025 N GLN A 67 2.717 -24.572 -3.999 1.00 0.00 N ATOM 1026 CA GLN A 67 2.127 -25.015 -5.251 1.00 0.00 C ATOM 1027 C GLN A 67 1.039 -24.037 -5.701 1.00 0.00 C ATOM 1028 O GLN A 67 0.564 -24.109 -6.833 1.00 0.00 O ATOM 1029 CB GLN A 67 1.569 -26.434 -5.123 1.00 0.00 C ATOM 1030 CG GLN A 67 0.813 -26.609 -3.805 1.00 0.00 C ATOM 1031 CD GLN A 67 -0.355 -27.584 -3.968 1.00 0.00 C ATOM 1032 OE1 GLN A 67 -1.285 -27.358 -4.724 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -0.255 -28.678 -3.219 1.00 0.00 N ATOM 0 H GLN A 67 2.112 -24.671 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 67 2.908 -25.034 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.902 -26.643 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.384 -27.155 -5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.494 -26.977 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.440 -25.643 -3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.551 -28.805 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.984 -29.390 -3.257 1.00 0.00 H new ATOM 1042 N SER A 68 0.676 -23.146 -4.790 1.00 0.00 N ATOM 1043 CA SER A 68 -0.346 -22.155 -5.078 1.00 0.00 C ATOM 1044 C SER A 68 0.227 -20.747 -4.910 1.00 0.00 C ATOM 1045 O SER A 68 -0.464 -19.758 -5.150 1.00 0.00 O ATOM 1046 CB SER A 68 -1.566 -22.343 -4.174 1.00 0.00 C ATOM 1047 OG SER A 68 -2.785 -22.059 -4.855 1.00 0.00 O ATOM 0 H SER A 68 1.072 -23.090 -3.852 1.00 0.00 H new ATOM 0 HA SER A 68 -0.669 -22.288 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.588 -23.368 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.476 -21.692 -3.304 1.00 0.00 H new ATOM 0 HG SER A 68 -3.540 -22.192 -4.244 1.00 0.00 H new ATOM 1053 N ARG A 69 1.486 -20.700 -4.498 1.00 0.00 N ATOM 1054 CA ARG A 69 2.161 -19.429 -4.295 1.00 0.00 C ATOM 1055 C ARG A 69 2.761 -18.931 -5.611 1.00 0.00 C ATOM 1056 O ARG A 69 3.907 -18.487 -5.646 1.00 0.00 O ATOM 1057 CB ARG A 69 3.272 -19.556 -3.251 1.00 0.00 C ATOM 1058 CG ARG A 69 3.061 -18.568 -2.103 1.00 0.00 C ATOM 1059 CD ARG A 69 4.330 -18.429 -1.259 1.00 0.00 C ATOM 1060 NE ARG A 69 4.940 -17.098 -1.477 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.914 -16.584 -0.715 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.395 -17.286 0.321 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.408 -15.369 -0.987 1.00 0.00 N ATOM 0 H ARG A 69 2.056 -21.522 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 69 1.421 -18.714 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.294 -20.573 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.239 -19.373 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.778 -17.595 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.237 -18.906 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.091 -18.560 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.041 -19.212 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 69 4.597 -16.537 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.019 -18.211 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.137 -16.895 0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.042 -14.834 -1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.150 -14.978 -0.406 1.00 0.00 H new ATOM 1077 N GLY A 70 1.959 -19.020 -6.662 1.00 0.00 N ATOM 1078 CA GLY A 70 2.396 -18.584 -7.977 1.00 0.00 C ATOM 1079 C GLY A 70 2.115 -17.094 -8.182 1.00 0.00 C ATOM 1080 O GLY A 70 0.974 -16.651 -8.058 1.00 0.00 O ATOM 0 H GLY A 70 1.008 -19.388 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.463 -18.776 -8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.884 -19.163 -8.745 1.00 0.00 H new ATOM 1084 N MET A 71 3.174 -16.361 -8.492 1.00 0.00 N ATOM 1085 CA MET A 71 3.055 -14.930 -8.715 1.00 0.00 C ATOM 1086 C MET A 71 2.980 -14.173 -7.388 1.00 0.00 C ATOM 1087 O MET A 71 3.767 -13.259 -7.145 1.00 0.00 O ATOM 1088 CB MET A 71 1.798 -14.645 -9.539 1.00 0.00 C ATOM 1089 CG MET A 71 2.106 -13.694 -10.697 1.00 0.00 C ATOM 1090 SD MET A 71 1.363 -12.100 -10.392 1.00 0.00 S ATOM 1091 CE MET A 71 -0.292 -12.410 -10.984 1.00 0.00 C ATOM 0 H MET A 71 4.119 -16.731 -8.594 1.00 0.00 H new ATOM 0 HA MET A 71 3.939 -14.590 -9.255 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.395 -15.580 -9.929 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.031 -14.209 -8.899 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.184 -13.586 -10.812 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.726 -14.109 -11.630 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.895 -11.510 -10.866 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.256 -12.687 -12.038 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.737 -13.223 -10.410 1.00 0.00 H new ATOM 1101 N TYR A 72 2.026 -14.581 -6.564 1.00 0.00 N ATOM 1102 CA TYR A 72 1.837 -13.952 -5.268 1.00 0.00 C ATOM 1103 C TYR A 72 3.182 -13.590 -4.633 1.00 0.00 C ATOM 1104 O TYR A 72 3.282 -12.608 -3.900 1.00 0.00 O ATOM 1105 CB TYR A 72 1.137 -14.992 -4.392 1.00 0.00 C ATOM 1106 CG TYR A 72 -0.031 -14.435 -3.577 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -0.012 -13.122 -3.151 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.105 -15.245 -3.266 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -1.112 -12.597 -2.384 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.205 -14.720 -2.499 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.154 -13.422 -2.096 1.00 0.00 C ATOM 1112 OH TYR A 72 -3.192 -12.926 -1.371 1.00 0.00 O ATOM 0 H TYR A 72 1.376 -15.340 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 72 1.259 -13.033 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.771 -15.799 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.867 -15.428 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.828 -12.488 -3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.120 -16.273 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.109 -11.572 -2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.051 -15.343 -2.249 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.865 -13.626 -1.242 1.00 0.00 H new ATOM 1122 N SER A 73 4.182 -14.403 -4.938 1.00 0.00 N ATOM 1123 CA SER A 73 5.516 -14.182 -4.407 1.00 0.00 C ATOM 1124 C SER A 73 6.187 -13.022 -5.146 1.00 0.00 C ATOM 1125 O SER A 73 6.492 -11.992 -4.546 1.00 0.00 O ATOM 1126 CB SER A 73 6.370 -15.446 -4.517 1.00 0.00 C ATOM 1127 OG SER A 73 7.542 -15.371 -3.709 1.00 0.00 O ATOM 0 H SER A 73 4.095 -15.217 -5.547 1.00 0.00 H new ATOM 0 HA SER A 73 5.426 -13.929 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.778 -16.311 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.656 -15.601 -5.557 1.00 0.00 H new ATOM 0 HG SER A 73 8.059 -16.198 -3.806 1.00 0.00 H new ATOM 1133 N ASN A 74 6.399 -13.229 -6.438 1.00 0.00 N ATOM 1134 CA ASN A 74 7.029 -12.214 -7.265 1.00 0.00 C ATOM 1135 C ASN A 74 6.299 -10.882 -7.075 1.00 0.00 C ATOM 1136 O ASN A 74 6.925 -9.824 -7.059 1.00 0.00 O ATOM 1137 CB ASN A 74 6.954 -12.587 -8.747 1.00 0.00 C ATOM 1138 CG ASN A 74 7.352 -11.403 -9.631 1.00 0.00 C ATOM 1139 OD1 ASN A 74 8.287 -10.671 -9.348 1.00 0.00 O ATOM 1140 ND2 ASN A 74 6.594 -11.257 -10.713 1.00 0.00 N ATOM 0 H ASN A 74 6.146 -14.085 -6.932 1.00 0.00 H new ATOM 0 HA ASN A 74 8.074 -12.135 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.613 -13.432 -8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.942 -12.906 -8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.779 -10.496 -11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.827 -11.906 -10.890 1.00 0.00 H new ATOM 1147 N ARG A 75 4.985 -10.979 -6.936 1.00 0.00 N ATOM 1148 CA ARG A 75 4.163 -9.796 -6.748 1.00 0.00 C ATOM 1149 C ARG A 75 4.555 -9.077 -5.456 1.00 0.00 C ATOM 1150 O ARG A 75 4.838 -7.880 -5.468 1.00 0.00 O ATOM 1151 CB ARG A 75 2.678 -10.160 -6.690 1.00 0.00 C ATOM 1152 CG ARG A 75 1.960 -9.740 -7.975 1.00 0.00 C ATOM 1153 CD ARG A 75 2.096 -8.235 -8.212 1.00 0.00 C ATOM 1154 NE ARG A 75 2.401 -7.972 -9.636 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.543 -6.747 -10.161 1.00 0.00 C ATOM 1156 NH1 ARG A 75 2.407 -5.665 -9.382 1.00 0.00 N ATOM 1157 NH2 ARG A 75 2.820 -6.605 -11.464 1.00 0.00 N ATOM 0 H ARG A 75 4.469 -11.859 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 75 4.331 -9.137 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.569 -11.234 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.213 -9.672 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.376 -10.284 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.905 -10.008 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.172 -7.729 -7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.887 -7.829 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 75 2.510 -8.774 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.196 -5.774 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.515 -4.732 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.923 -7.429 -12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.928 -5.673 -11.864 1.00 0.00 H new ATOM 1171 N MET A 76 4.560 -9.838 -4.371 1.00 0.00 N ATOM 1172 CA MET A 76 4.913 -9.288 -3.073 1.00 0.00 C ATOM 1173 C MET A 76 6.184 -8.440 -3.164 1.00 0.00 C ATOM 1174 O MET A 76 6.186 -7.276 -2.769 1.00 0.00 O ATOM 1175 CB MET A 76 5.131 -10.429 -2.077 1.00 0.00 C ATOM 1176 CG MET A 76 3.829 -10.783 -1.356 1.00 0.00 C ATOM 1177 SD MET A 76 3.837 -10.095 0.291 1.00 0.00 S ATOM 1178 CE MET A 76 2.249 -9.281 0.296 1.00 0.00 C ATOM 0 H MET A 76 4.325 -10.831 -4.364 1.00 0.00 H new ATOM 0 HA MET A 76 4.096 -8.650 -2.735 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.511 -11.306 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.888 -10.140 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.977 -10.397 -1.916 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.714 -11.866 -1.306 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.899 -9.172 1.323 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.343 -8.296 -0.162 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.533 -9.877 -0.270 1.00 0.00 H new ATOM 1188 N ARG A 77 7.233 -9.058 -3.687 1.00 0.00 N ATOM 1189 CA ARG A 77 8.507 -8.375 -3.834 1.00 0.00 C ATOM 1190 C ARG A 77 8.316 -7.053 -4.581 1.00 0.00 C ATOM 1191 O ARG A 77 9.158 -6.160 -4.493 1.00 0.00 O ATOM 1192 CB ARG A 77 9.512 -9.242 -4.595 1.00 0.00 C ATOM 1193 CG ARG A 77 10.314 -10.122 -3.634 1.00 0.00 C ATOM 1194 CD ARG A 77 11.709 -9.542 -3.394 1.00 0.00 C ATOM 1195 NE ARG A 77 12.518 -9.641 -4.630 1.00 0.00 N ATOM 1196 CZ ARG A 77 13.663 -8.976 -4.833 1.00 0.00 C ATOM 1197 NH1 ARG A 77 14.142 -8.160 -3.884 1.00 0.00 N ATOM 1198 NH2 ARG A 77 14.330 -9.127 -5.986 1.00 0.00 N ATOM 0 H ARG A 77 7.227 -10.024 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 77 8.896 -8.180 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.985 -9.869 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.190 -8.605 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.784 -10.208 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.400 -11.129 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.630 -8.500 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.201 -10.080 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 77 12.183 -10.254 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.635 -8.045 -3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.014 -7.654 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.966 -9.748 -6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.202 -8.621 -6.141 1.00 0.00 H new ATOM 1212 N SER A 78 7.206 -6.970 -5.298 1.00 0.00 N ATOM 1213 CA SER A 78 6.894 -5.772 -6.059 1.00 0.00 C ATOM 1214 C SER A 78 6.052 -4.817 -5.211 1.00 0.00 C ATOM 1215 O SER A 78 6.463 -3.688 -4.946 1.00 0.00 O ATOM 1216 CB SER A 78 6.160 -6.118 -7.356 1.00 0.00 C ATOM 1217 OG SER A 78 6.930 -5.790 -8.509 1.00 0.00 O ATOM 0 H SER A 78 6.511 -7.713 -5.368 1.00 0.00 H new ATOM 0 HA SER A 78 7.831 -5.282 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.926 -7.183 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.211 -5.583 -7.389 1.00 0.00 H new ATOM 0 HG SER A 78 6.428 -6.028 -9.316 1.00 0.00 H new ATOM 1223 N TYR A 79 4.887 -5.305 -4.809 1.00 0.00 N ATOM 1224 CA TYR A 79 3.983 -4.509 -3.996 1.00 0.00 C ATOM 1225 C TYR A 79 4.755 -3.690 -2.959 1.00 0.00 C ATOM 1226 O TYR A 79 4.632 -2.467 -2.913 1.00 0.00 O ATOM 1227 CB TYR A 79 3.079 -5.508 -3.270 1.00 0.00 C ATOM 1228 CG TYR A 79 2.030 -6.165 -4.169 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.394 -5.422 -5.143 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.719 -7.499 -4.005 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.406 -6.040 -5.989 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.731 -8.117 -4.851 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.123 -7.357 -5.801 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.810 -7.941 -6.600 1.00 0.00 O ATOM 0 H TYR A 79 4.549 -6.241 -5.031 1.00 0.00 H new ATOM 0 HA TYR A 79 3.421 -3.811 -4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.699 -6.286 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.572 -4.996 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.637 -4.378 -5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.216 -8.080 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.099 -5.471 -6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.479 -9.161 -4.734 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.985 -7.365 -7.373 1.00 0.00 H new ATOM 1244 N LYS A 80 5.532 -4.398 -2.152 1.00 0.00 N ATOM 1245 CA LYS A 80 6.323 -3.752 -1.119 1.00 0.00 C ATOM 1246 C LYS A 80 7.181 -2.654 -1.751 1.00 0.00 C ATOM 1247 O LYS A 80 7.171 -1.513 -1.292 1.00 0.00 O ATOM 1248 CB LYS A 80 7.131 -4.789 -0.336 1.00 0.00 C ATOM 1249 CG LYS A 80 6.236 -5.934 0.143 1.00 0.00 C ATOM 1250 CD LYS A 80 6.816 -6.596 1.394 1.00 0.00 C ATOM 1251 CE LYS A 80 5.706 -6.994 2.369 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.804 -6.205 3.617 1.00 0.00 N ATOM 0 H LYS A 80 5.630 -5.412 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 80 5.674 -3.269 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.928 -5.185 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.608 -4.313 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.237 -5.554 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.132 -6.675 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.389 -7.479 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.508 -5.911 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.732 -6.833 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.779 -8.057 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.043 -6.488 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.726 -6.379 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.712 -5.193 3.396 1.00 0.00 H new ATOM 1266 N GLN A 81 7.902 -3.037 -2.794 1.00 0.00 N ATOM 1267 CA GLN A 81 8.763 -2.099 -3.494 1.00 0.00 C ATOM 1268 C GLN A 81 7.998 -0.813 -3.814 1.00 0.00 C ATOM 1269 O GLN A 81 8.407 0.274 -3.409 1.00 0.00 O ATOM 1270 CB GLN A 81 9.338 -2.726 -4.765 1.00 0.00 C ATOM 1271 CG GLN A 81 10.697 -3.374 -4.491 1.00 0.00 C ATOM 1272 CD GLN A 81 10.971 -4.511 -5.478 1.00 0.00 C ATOM 1273 OE1 GLN A 81 10.165 -4.830 -6.336 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.151 -5.101 -5.309 1.00 0.00 N ATOM 0 H GLN A 81 7.908 -3.985 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 81 9.600 -1.848 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.646 -3.474 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.444 -1.962 -5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.484 -2.624 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.722 -3.759 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.779 -4.784 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.428 -5.871 -5.918 1.00 0.00 H new ATOM 1283 N GLU A 82 6.901 -0.980 -4.539 1.00 0.00 N ATOM 1284 CA GLU A 82 6.076 0.154 -4.918 1.00 0.00 C ATOM 1285 C GLU A 82 5.599 0.904 -3.673 1.00 0.00 C ATOM 1286 O GLU A 82 5.868 2.094 -3.520 1.00 0.00 O ATOM 1287 CB GLU A 82 4.890 -0.294 -5.775 1.00 0.00 C ATOM 1288 CG GLU A 82 4.125 0.911 -6.326 1.00 0.00 C ATOM 1289 CD GLU A 82 4.240 0.985 -7.850 1.00 0.00 C ATOM 1290 OE1 GLU A 82 3.528 0.199 -8.511 1.00 0.00 O ATOM 1291 OE2 GLU A 82 5.038 1.826 -8.318 1.00 0.00 O ATOM 0 H GLU A 82 6.565 -1.883 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 82 6.681 0.834 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.246 -0.912 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.220 -0.913 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.075 0.841 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.516 1.827 -5.884 1.00 0.00 H new ATOM 1298 N MET A 83 4.900 0.176 -2.814 1.00 0.00 N ATOM 1299 CA MET A 83 4.384 0.758 -1.586 1.00 0.00 C ATOM 1300 C MET A 83 5.408 1.703 -0.954 1.00 0.00 C ATOM 1301 O MET A 83 5.214 2.917 -0.943 1.00 0.00 O ATOM 1302 CB MET A 83 4.040 -0.358 -0.598 1.00 0.00 C ATOM 1303 CG MET A 83 2.633 -0.171 -0.028 1.00 0.00 C ATOM 1304 SD MET A 83 2.699 0.836 1.444 1.00 0.00 S ATOM 1305 CE MET A 83 1.293 1.898 1.157 1.00 0.00 C ATOM 0 H MET A 83 4.679 -0.811 -2.944 1.00 0.00 H new ATOM 0 HA MET A 83 3.489 1.332 -1.826 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.108 -1.324 -1.097 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.767 -0.367 0.214 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.990 0.300 -0.772 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.194 -1.141 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.444 2.848 1.670 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.184 2.077 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.391 1.419 1.538 1.00 0.00 H new ATOM 1315 N GLY A 84 6.477 1.109 -0.443 1.00 0.00 N ATOM 1316 CA GLY A 84 7.532 1.882 0.189 1.00 0.00 C ATOM 1317 C GLY A 84 7.837 3.151 -0.610 1.00 0.00 C ATOM 1318 O GLY A 84 7.938 4.237 -0.043 1.00 0.00 O ATOM 0 H GLY A 84 6.635 0.101 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.234 2.149 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.433 1.274 0.271 1.00 0.00 H new ATOM 1322 N LYS A 85 7.974 2.970 -1.916 1.00 0.00 N ATOM 1323 CA LYS A 85 8.265 4.087 -2.799 1.00 0.00 C ATOM 1324 C LYS A 85 7.119 5.098 -2.731 1.00 0.00 C ATOM 1325 O LYS A 85 7.352 6.296 -2.576 1.00 0.00 O ATOM 1326 CB LYS A 85 8.561 3.587 -4.215 1.00 0.00 C ATOM 1327 CG LYS A 85 10.006 3.891 -4.613 1.00 0.00 C ATOM 1328 CD LYS A 85 10.288 3.434 -6.046 1.00 0.00 C ATOM 1329 CE LYS A 85 11.218 4.415 -6.762 1.00 0.00 C ATOM 1330 NZ LYS A 85 11.494 3.955 -8.141 1.00 0.00 N ATOM 0 H LYS A 85 7.889 2.067 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 85 9.167 4.605 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.383 2.513 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.878 4.059 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.194 4.961 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.689 3.390 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.740 2.442 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.350 3.349 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.762 5.405 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.153 4.508 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.127 4.632 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.948 3.020 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.601 3.889 -8.670 1.00 0.00 H new ATOM 1344 N LEU A 86 5.906 4.578 -2.849 1.00 0.00 N ATOM 1345 CA LEU A 86 4.723 5.421 -2.803 1.00 0.00 C ATOM 1346 C LEU A 86 4.828 6.374 -1.611 1.00 0.00 C ATOM 1347 O LEU A 86 4.358 7.509 -1.676 1.00 0.00 O ATOM 1348 CB LEU A 86 3.455 4.564 -2.796 1.00 0.00 C ATOM 1349 CG LEU A 86 2.772 4.367 -4.151 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.009 3.041 -4.192 1.00 0.00 C ATOM 1351 CD2 LEU A 86 1.872 5.557 -4.489 1.00 0.00 C ATOM 0 H LEU A 86 5.717 3.584 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 86 4.658 6.037 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.705 3.583 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.737 5.017 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 86 3.544 4.319 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.533 2.925 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.703 2.217 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.247 3.035 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.399 5.392 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.104 5.662 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.471 6.467 -4.529 1.00 0.00 H new ATOM 1363 N GLU A 87 5.446 5.877 -0.549 1.00 0.00 N ATOM 1364 CA GLU A 87 5.618 6.670 0.656 1.00 0.00 C ATOM 1365 C GLU A 87 6.625 7.797 0.411 1.00 0.00 C ATOM 1366 O GLU A 87 6.452 8.908 0.909 1.00 0.00 O ATOM 1367 CB GLU A 87 6.053 5.794 1.832 1.00 0.00 C ATOM 1368 CG GLU A 87 4.876 5.509 2.767 1.00 0.00 C ATOM 1369 CD GLU A 87 5.267 5.740 4.228 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.808 4.786 4.828 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.018 6.865 4.711 1.00 0.00 O ATOM 0 H GLU A 87 5.834 4.935 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 87 4.657 7.116 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.462 4.855 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.850 6.291 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.036 6.152 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.543 4.480 2.635 1.00 0.00 H new ATOM 1378 N THR A 88 7.654 7.470 -0.357 1.00 0.00 N ATOM 1379 CA THR A 88 8.688 8.441 -0.674 1.00 0.00 C ATOM 1380 C THR A 88 8.165 9.468 -1.680 1.00 0.00 C ATOM 1381 O THR A 88 8.003 10.641 -1.347 1.00 0.00 O ATOM 1382 CB THR A 88 9.917 7.676 -1.170 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.590 7.288 0.025 1.00 0.00 O ATOM 1384 CG2 THR A 88 10.921 8.583 -1.885 1.00 0.00 C ATOM 0 H THR A 88 7.794 6.547 -0.769 1.00 0.00 H new ATOM 0 HA THR A 88 8.977 9.014 0.207 1.00 0.00 H new ATOM 0 HB THR A 88 9.602 6.880 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.399 6.784 -0.204 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.774 7.991 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.443 9.046 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.262 9.359 -1.200 1.00 0.00 H new ATOM 1392 N ASP A 89 7.915 8.990 -2.890 1.00 0.00 N ATOM 1393 CA ASP A 89 7.413 9.852 -3.947 1.00 0.00 C ATOM 1394 C ASP A 89 6.367 10.806 -3.367 1.00 0.00 C ATOM 1395 O ASP A 89 6.386 12.002 -3.653 1.00 0.00 O ATOM 1396 CB ASP A 89 6.746 9.035 -5.054 1.00 0.00 C ATOM 1397 CG ASP A 89 7.602 8.818 -6.304 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.771 8.412 -6.127 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.068 9.064 -7.407 1.00 0.00 O ATOM 0 H ASP A 89 8.051 8.016 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 89 8.257 10.401 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.468 8.062 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.822 9.534 -5.347 1.00 0.00 H new ATOM 1404 N PHE A 90 5.479 10.241 -2.562 1.00 0.00 N ATOM 1405 CA PHE A 90 4.427 11.026 -1.940 1.00 0.00 C ATOM 1406 C PHE A 90 5.012 12.200 -1.151 1.00 0.00 C ATOM 1407 O PHE A 90 4.514 13.321 -1.239 1.00 0.00 O ATOM 1408 CB PHE A 90 3.687 10.097 -0.975 1.00 0.00 C ATOM 1409 CG PHE A 90 2.836 10.830 0.064 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.301 12.045 -0.229 1.00 0.00 C ATOM 1411 CD2 PHE A 90 2.614 10.265 1.282 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.511 12.725 0.735 1.00 0.00 C ATOM 1413 CE2 PHE A 90 1.824 10.945 2.246 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.289 12.161 1.952 1.00 0.00 C ATOM 0 H PHE A 90 5.467 9.249 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 90 3.764 11.431 -2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.045 9.429 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.415 9.472 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.477 12.493 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.039 9.300 1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.086 13.690 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.648 10.497 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.688 12.678 2.685 1.00 0.00 H new ATOM 1424 N LYS A 91 6.061 11.901 -0.399 1.00 0.00 N ATOM 1425 CA LYS A 91 6.719 12.917 0.404 1.00 0.00 C ATOM 1426 C LYS A 91 7.679 13.717 -0.479 1.00 0.00 C ATOM 1427 O LYS A 91 8.096 14.815 -0.113 1.00 0.00 O ATOM 1428 CB LYS A 91 7.390 12.284 1.625 1.00 0.00 C ATOM 1429 CG LYS A 91 8.889 12.088 1.387 1.00 0.00 C ATOM 1430 CD LYS A 91 9.578 11.553 2.644 1.00 0.00 C ATOM 1431 CE LYS A 91 11.084 11.820 2.598 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.551 12.377 3.887 1.00 0.00 N ATOM 0 H LYS A 91 6.471 10.970 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 91 5.988 13.621 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.237 12.918 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.924 11.323 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.042 11.394 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.342 13.036 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.148 12.025 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.397 10.482 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.617 10.894 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.311 12.516 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.575 12.552 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.055 13.271 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.351 11.700 4.651 1.00 0.00 H new ATOM 1446 N ARG A 92 8.001 13.136 -1.625 1.00 0.00 N ATOM 1447 CA ARG A 92 8.903 13.781 -2.564 1.00 0.00 C ATOM 1448 C ARG A 92 8.109 14.559 -3.615 1.00 0.00 C ATOM 1449 O ARG A 92 8.690 15.178 -4.505 1.00 0.00 O ATOM 1450 CB ARG A 92 9.795 12.754 -3.265 1.00 0.00 C ATOM 1451 CG ARG A 92 11.159 12.653 -2.579 1.00 0.00 C ATOM 1452 CD ARG A 92 12.093 11.721 -3.352 1.00 0.00 C ATOM 1453 NE ARG A 92 13.412 12.367 -3.540 1.00 0.00 N ATOM 1454 CZ ARG A 92 14.398 11.857 -4.290 1.00 0.00 C ATOM 1455 NH1 ARG A 92 14.222 10.691 -4.926 1.00 0.00 N ATOM 1456 NH2 ARG A 92 15.561 12.513 -4.403 1.00 0.00 N ATOM 0 H ARG A 92 7.653 12.225 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 92 9.534 14.468 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.308 11.779 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.929 13.036 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.607 13.644 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.032 12.284 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.213 10.782 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.657 11.477 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 92 13.580 13.256 -3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.337 10.191 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.973 10.303 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.695 13.400 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.312 12.125 -4.974 1.00 0.00 H new ATOM 1470 N SER A 93 6.792 14.502 -3.478 1.00 0.00 N ATOM 1471 CA SER A 93 5.913 15.193 -4.404 1.00 0.00 C ATOM 1472 C SER A 93 5.356 16.460 -3.751 1.00 0.00 C ATOM 1473 O SER A 93 5.167 17.475 -4.419 1.00 0.00 O ATOM 1474 CB SER A 93 4.769 14.284 -4.860 1.00 0.00 C ATOM 1475 OG SER A 93 3.709 14.242 -3.909 1.00 0.00 O ATOM 0 H SER A 93 6.313 13.987 -2.739 1.00 0.00 H new ATOM 0 HA SER A 93 6.494 15.471 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.384 14.638 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.150 13.276 -5.023 1.00 0.00 H new ATOM 0 HG SER A 93 4.054 13.925 -3.048 1.00 0.00 H new ATOM 1481 N ARG A 94 5.108 16.358 -2.454 1.00 0.00 N ATOM 1482 CA ARG A 94 4.577 17.483 -1.703 1.00 0.00 C ATOM 1483 C ARG A 94 5.650 18.559 -1.528 1.00 0.00 C ATOM 1484 O ARG A 94 5.341 19.699 -1.184 1.00 0.00 O ATOM 1485 CB ARG A 94 4.079 17.040 -0.325 1.00 0.00 C ATOM 1486 CG ARG A 94 5.138 16.207 0.399 1.00 0.00 C ATOM 1487 CD ARG A 94 4.849 16.136 1.899 1.00 0.00 C ATOM 1488 NE ARG A 94 6.056 16.517 2.666 1.00 0.00 N ATOM 1489 CZ ARG A 94 6.209 16.304 3.980 1.00 0.00 C ATOM 1490 NH1 ARG A 94 5.233 15.712 4.682 1.00 0.00 N ATOM 1491 NH2 ARG A 94 7.339 16.683 4.593 1.00 0.00 N ATOM 0 H ARG A 94 5.265 15.514 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 94 3.738 17.891 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.828 17.916 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.165 16.457 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.162 15.200 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.123 16.643 0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.023 16.802 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.539 15.127 2.171 1.00 0.00 H new ATOM 0 HE ARG A 94 6.819 16.970 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.373 15.423 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.350 15.550 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.082 17.134 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.456 16.521 5.593 1.00 0.00 H new ATOM 1505 N ILE A 95 6.889 18.159 -1.772 1.00 0.00 N ATOM 1506 CA ILE A 95 8.010 19.075 -1.646 1.00 0.00 C ATOM 1507 C ILE A 95 8.198 19.829 -2.963 1.00 0.00 C ATOM 1508 O ILE A 95 9.316 19.945 -3.462 1.00 0.00 O ATOM 1509 CB ILE A 95 9.262 18.328 -1.180 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.786 17.400 -2.277 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.999 17.580 0.128 1.00 0.00 C ATOM 1512 CD1 ILE A 95 11.313 17.311 -2.237 1.00 0.00 C ATOM 0 H ILE A 95 7.142 17.213 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 95 7.808 19.821 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 95 10.043 19.061 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.357 16.406 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.465 17.766 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.905 17.058 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.708 18.291 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.197 16.858 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.659 16.645 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.739 18.303 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.630 16.921 -1.269 1.00 0.00 H new ATOM 1524 N ALA A 96 7.087 20.322 -3.490 1.00 0.00 N ATOM 1525 CA ALA A 96 7.115 21.062 -4.740 1.00 0.00 C ATOM 1526 C ALA A 96 6.556 22.467 -4.509 1.00 0.00 C ATOM 1527 O ALA A 96 5.418 22.622 -4.068 1.00 0.00 O ATOM 1528 CB ALA A 96 6.334 20.292 -5.807 1.00 0.00 C ATOM 0 H ALA A 96 6.161 20.223 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 96 8.139 21.170 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.355 20.847 -6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.789 19.313 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.301 20.167 -5.482 1.00 0.00 H new ATOM 1534 N SER A 97 7.382 23.456 -4.817 1.00 0.00 N ATOM 1535 CA SER A 97 6.984 24.843 -4.648 1.00 0.00 C ATOM 1536 C SER A 97 6.913 25.190 -3.160 1.00 0.00 C ATOM 1537 O SER A 97 5.837 25.168 -2.564 1.00 0.00 O ATOM 1538 CB SER A 97 5.637 25.116 -5.321 1.00 0.00 C ATOM 1539 OG SER A 97 5.539 24.482 -6.594 1.00 0.00 O ATOM 0 H SER A 97 8.325 23.324 -5.183 1.00 0.00 H new ATOM 0 HA SER A 97 7.733 25.474 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 97 4.832 24.763 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.502 26.191 -5.440 1.00 0.00 H new ATOM 0 HG SER A 97 4.665 24.678 -6.991 1.00 0.00 H new ATOM 1545 N GLY A 98 8.074 25.503 -2.602 1.00 0.00 N ATOM 1546 CA GLY A 98 8.157 25.854 -1.194 1.00 0.00 C ATOM 1547 C GLY A 98 9.596 26.189 -0.797 1.00 0.00 C ATOM 1548 O GLY A 98 10.542 25.629 -1.348 1.00 0.00 O ATOM 0 H GLY A 98 8.964 25.521 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.511 26.708 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.792 25.026 -0.587 1.00 0.00 H new ATOM 1552 N PRO A 99 9.718 27.124 0.183 1.00 0.00 N ATOM 1553 CA PRO A 99 11.026 27.541 0.660 1.00 0.00 C ATOM 1554 C PRO A 99 11.648 26.469 1.558 1.00 0.00 C ATOM 1555 O PRO A 99 11.454 26.483 2.773 1.00 0.00 O ATOM 1556 CB PRO A 99 10.780 28.854 1.385 1.00 0.00 C ATOM 1557 CG PRO A 99 9.291 28.890 1.689 1.00 0.00 C ATOM 1558 CD PRO A 99 8.620 27.808 0.858 1.00 0.00 C ATOM 0 HA PRO A 99 11.746 27.677 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.367 28.910 2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.073 29.702 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.114 28.721 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.876 29.869 1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.052 27.121 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.920 28.237 0.141 1.00 0.00 H new ATOM 1566 N SER A 100 12.383 25.567 0.926 1.00 0.00 N ATOM 1567 CA SER A 100 13.035 24.490 1.652 1.00 0.00 C ATOM 1568 C SER A 100 14.550 24.569 1.456 1.00 0.00 C ATOM 1569 O SER A 100 15.023 25.066 0.435 1.00 0.00 O ATOM 1570 CB SER A 100 12.512 23.125 1.201 1.00 0.00 C ATOM 1571 OG SER A 100 12.864 22.090 2.115 1.00 0.00 O ATOM 0 H SER A 100 12.542 25.559 -0.082 1.00 0.00 H new ATOM 0 HA SER A 100 12.805 24.604 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.427 23.167 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.914 22.890 0.215 1.00 0.00 H new ATOM 0 HG SER A 100 12.511 21.235 1.793 1.00 0.00 H new ATOM 1577 N SER A 101 15.271 24.070 2.450 1.00 0.00 N ATOM 1578 CA SER A 101 16.723 24.078 2.399 1.00 0.00 C ATOM 1579 C SER A 101 17.242 25.515 2.486 1.00 0.00 C ATOM 1580 O SER A 101 16.469 26.465 2.377 1.00 0.00 O ATOM 1581 CB SER A 101 17.233 23.405 1.124 1.00 0.00 C ATOM 1582 OG SER A 101 18.521 22.824 1.305 1.00 0.00 O ATOM 0 H SER A 101 14.876 23.658 3.295 1.00 0.00 H new ATOM 0 HA SER A 101 17.098 23.511 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.528 22.634 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.276 24.139 0.319 1.00 0.00 H new ATOM 0 HG SER A 101 18.810 22.403 0.469 1.00 0.00 H new ATOM 1588 N GLY A 102 18.547 25.627 2.681 1.00 0.00 N ATOM 1589 CA GLY A 102 19.179 26.932 2.783 1.00 0.00 C ATOM 1590 C GLY A 102 20.190 26.963 3.930 1.00 0.00 C ATOM 1591 O GLY A 102 21.213 26.282 3.880 1.00 0.00 O ATOM 0 H GLY A 102 19.185 24.836 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 102 19.680 27.172 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 102 18.419 27.697 2.943 1.00 0.00 H new TER 1595 GLY A 102