USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0789 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.0636 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 14 CYS SG : rot -74:sc= -6.04! USER MOD Single : A 22 ASN : amide:sc= -1.45 K(o=-1.5,f=-6.7!) USER MOD Single : A 23 GLN : amide:sc= -0.0596 K(o=-0.06,f=-2.2) USER MOD Single : A 25 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.15) USER MOD Single : A 36 SER OG : rot 46:sc= 0.00894 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0365) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 165:sc= -1.76 USER MOD Single : A 49 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 50 TYR OH : rot 100:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 62 THR OG1 : rot -169:sc= -1.64 USER MOD Single : A 63 HIS : no HD1:sc= -0.58 K(o=-0.58,f=-0.066) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 50:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.612 -3.794 12.053 1.00 0.00 N ATOM 2 CA GLY A 1 22.322 -3.656 11.399 1.00 0.00 C ATOM 3 C GLY A 1 22.068 -2.205 10.986 1.00 0.00 C ATOM 4 O GLY A 1 22.656 -1.284 11.551 1.00 0.00 O ATOM 0 H1 GLY A 1 24.272 -4.288 11.419 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.989 -2.852 12.279 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.500 -4.341 12.930 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.285 -4.300 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.532 -3.990 12.072 1.00 0.00 H new ATOM 8 N SER A 2 21.194 -2.047 10.004 1.00 0.00 N ATOM 9 CA SER A 2 20.856 -0.723 9.508 1.00 0.00 C ATOM 10 C SER A 2 19.383 -0.678 9.097 1.00 0.00 C ATOM 11 O SER A 2 18.832 -1.677 8.638 1.00 0.00 O ATOM 12 CB SER A 2 21.748 -0.333 8.328 1.00 0.00 C ATOM 13 OG SER A 2 23.017 0.153 8.755 1.00 0.00 O ATOM 0 H SER A 2 20.709 -2.814 9.538 1.00 0.00 H new ATOM 0 HA SER A 2 21.025 -0.004 10.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.891 -1.198 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.248 0.432 7.733 1.00 0.00 H new ATOM 0 HG SER A 2 23.174 -0.116 9.684 1.00 0.00 H new ATOM 18 N SER A 3 18.786 0.490 9.281 1.00 0.00 N ATOM 19 CA SER A 3 17.387 0.678 8.935 1.00 0.00 C ATOM 20 C SER A 3 17.221 0.695 7.414 1.00 0.00 C ATOM 21 O SER A 3 18.110 1.146 6.695 1.00 0.00 O ATOM 22 CB SER A 3 16.839 1.971 9.543 1.00 0.00 C ATOM 23 OG SER A 3 16.248 1.751 10.820 1.00 0.00 O ATOM 0 H SER A 3 19.245 1.316 9.665 1.00 0.00 H new ATOM 0 HA SER A 3 16.818 -0.156 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.646 2.698 9.637 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.098 2.403 8.870 1.00 0.00 H new ATOM 0 HG SER A 3 15.912 2.600 11.176 1.00 0.00 H new ATOM 28 N GLY A 4 16.076 0.197 6.971 1.00 0.00 N ATOM 29 CA GLY A 4 15.782 0.148 5.549 1.00 0.00 C ATOM 30 C GLY A 4 14.385 -0.422 5.297 1.00 0.00 C ATOM 31 O GLY A 4 13.463 -0.184 6.077 1.00 0.00 O ATOM 0 H GLY A 4 15.341 -0.176 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.852 1.150 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.526 -0.466 5.041 1.00 0.00 H new ATOM 35 N SER A 5 14.271 -1.165 4.206 1.00 0.00 N ATOM 36 CA SER A 5 13.003 -1.772 3.841 1.00 0.00 C ATOM 37 C SER A 5 13.161 -2.585 2.555 1.00 0.00 C ATOM 38 O SER A 5 14.201 -2.521 1.900 1.00 0.00 O ATOM 39 CB SER A 5 11.914 -0.710 3.667 1.00 0.00 C ATOM 40 OG SER A 5 12.316 0.323 2.772 1.00 0.00 O ATOM 0 H SER A 5 15.038 -1.360 3.562 1.00 0.00 H new ATOM 0 HA SER A 5 12.699 -2.438 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.005 -1.181 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.672 -0.276 4.637 1.00 0.00 H new ATOM 0 HG SER A 5 11.594 0.980 2.686 1.00 0.00 H new ATOM 45 N SER A 6 12.115 -3.330 2.231 1.00 0.00 N ATOM 46 CA SER A 6 12.126 -4.155 1.035 1.00 0.00 C ATOM 47 C SER A 6 10.710 -4.650 0.729 1.00 0.00 C ATOM 48 O SER A 6 9.882 -4.769 1.630 1.00 0.00 O ATOM 49 CB SER A 6 13.080 -5.341 1.191 1.00 0.00 C ATOM 50 OG SER A 6 13.323 -5.997 -0.050 1.00 0.00 O ATOM 0 H SER A 6 11.254 -3.380 2.776 1.00 0.00 H new ATOM 0 HA SER A 6 12.480 -3.546 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.025 -4.994 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.660 -6.053 1.901 1.00 0.00 H new ATOM 0 HG SER A 6 13.938 -6.747 0.091 1.00 0.00 H new ATOM 55 N GLY A 7 10.477 -4.924 -0.547 1.00 0.00 N ATOM 56 CA GLY A 7 9.177 -5.403 -0.983 1.00 0.00 C ATOM 57 C GLY A 7 9.241 -6.881 -1.376 1.00 0.00 C ATOM 58 O GLY A 7 8.796 -7.258 -2.460 1.00 0.00 O ATOM 0 H GLY A 7 11.167 -4.823 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.448 -5.267 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.833 -4.812 -1.832 1.00 0.00 H new ATOM 62 N GLY A 8 9.797 -7.676 -0.475 1.00 0.00 N ATOM 63 CA GLY A 8 9.925 -9.104 -0.714 1.00 0.00 C ATOM 64 C GLY A 8 8.665 -9.664 -1.379 1.00 0.00 C ATOM 65 O GLY A 8 8.648 -9.896 -2.586 1.00 0.00 O ATOM 0 H GLY A 8 10.164 -7.359 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.791 -9.294 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.102 -9.620 0.230 1.00 0.00 H new ATOM 69 N GLU A 9 7.642 -9.862 -0.561 1.00 0.00 N ATOM 70 CA GLU A 9 6.381 -10.390 -1.054 1.00 0.00 C ATOM 71 C GLU A 9 5.208 -9.623 -0.440 1.00 0.00 C ATOM 72 O GLU A 9 5.159 -9.424 0.774 1.00 0.00 O ATOM 73 CB GLU A 9 6.266 -11.888 -0.770 1.00 0.00 C ATOM 74 CG GLU A 9 5.835 -12.141 0.677 1.00 0.00 C ATOM 75 CD GLU A 9 6.329 -13.503 1.166 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.567 -13.653 1.275 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.461 -14.365 1.421 1.00 0.00 O ATOM 0 H GLU A 9 7.660 -9.666 0.440 1.00 0.00 H new ATOM 0 HA GLU A 9 6.351 -10.256 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.544 -12.337 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.225 -12.372 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.230 -11.355 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.748 -12.097 0.750 1.00 0.00 H new ATOM 82 N ILE A 10 4.293 -9.213 -1.305 1.00 0.00 N ATOM 83 CA ILE A 10 3.123 -8.473 -0.863 1.00 0.00 C ATOM 84 C ILE A 10 2.227 -9.393 -0.030 1.00 0.00 C ATOM 85 O ILE A 10 1.634 -10.331 -0.559 1.00 0.00 O ATOM 86 CB ILE A 10 2.411 -7.835 -2.056 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.165 -6.598 -2.549 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.951 -7.520 -1.719 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.047 -5.449 -1.545 1.00 0.00 C ATOM 0 H ILE A 10 4.338 -9.379 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 10 3.417 -7.645 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 10 2.405 -8.555 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.215 -6.845 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.766 -6.285 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.467 -7.067 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.432 -8.441 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.913 -6.827 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.591 -4.582 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.997 -5.189 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.468 -5.757 -0.588 1.00 0.00 H new ATOM 100 N ILE A 11 2.158 -9.089 1.257 1.00 0.00 N ATOM 101 CA ILE A 11 1.344 -9.878 2.168 1.00 0.00 C ATOM 102 C ILE A 11 0.160 -9.035 2.647 1.00 0.00 C ATOM 103 O ILE A 11 0.128 -7.825 2.430 1.00 0.00 O ATOM 104 CB ILE A 11 2.201 -10.436 3.305 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.618 -9.327 4.273 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.407 -11.203 2.758 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.507 -9.037 5.286 1.00 0.00 C ATOM 0 H ILE A 11 2.651 -8.309 1.691 1.00 0.00 H new ATOM 0 HA ILE A 11 0.931 -10.747 1.655 1.00 0.00 H new ATOM 0 HB ILE A 11 1.597 -11.146 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.527 -9.621 4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.852 -8.421 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.999 -11.589 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.061 -12.033 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.020 -10.534 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.829 -8.245 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.607 -8.720 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.293 -9.939 5.859 1.00 0.00 H new ATOM 118 N GLU A 12 -0.783 -9.708 3.290 1.00 0.00 N ATOM 119 CA GLU A 12 -1.966 -9.035 3.800 1.00 0.00 C ATOM 120 C GLU A 12 -1.607 -8.185 5.021 1.00 0.00 C ATOM 121 O GLU A 12 -1.072 -8.697 6.003 1.00 0.00 O ATOM 122 CB GLU A 12 -3.065 -10.043 4.139 1.00 0.00 C ATOM 123 CG GLU A 12 -3.467 -10.851 2.903 1.00 0.00 C ATOM 124 CD GLU A 12 -4.442 -11.971 3.274 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.306 -12.491 4.403 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.301 -12.283 2.421 1.00 0.00 O ATOM 0 H GLU A 12 -0.752 -10.712 3.469 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.350 -8.375 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.716 -10.717 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.935 -9.519 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.928 -10.192 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.578 -11.277 2.437 1.00 0.00 H new ATOM 131 N GLY A 13 -1.916 -6.901 4.919 1.00 0.00 N ATOM 132 CA GLY A 13 -1.633 -5.975 6.002 1.00 0.00 C ATOM 133 C GLY A 13 -0.695 -4.858 5.538 1.00 0.00 C ATOM 134 O GLY A 13 -0.785 -3.728 6.014 1.00 0.00 O ATOM 0 H GLY A 13 -2.360 -6.480 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.564 -5.544 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.180 -6.512 6.835 1.00 0.00 H new ATOM 138 N CYS A 14 0.185 -5.215 4.614 1.00 0.00 N ATOM 139 CA CYS A 14 1.139 -4.258 4.081 1.00 0.00 C ATOM 140 C CYS A 14 0.378 -2.991 3.684 1.00 0.00 C ATOM 141 O CYS A 14 -0.711 -3.069 3.116 1.00 0.00 O ATOM 142 CB CYS A 14 1.929 -4.840 2.907 1.00 0.00 C ATOM 143 SG CYS A 14 3.308 -5.869 3.530 1.00 0.00 S ATOM 0 H CYS A 14 0.257 -6.154 4.221 1.00 0.00 H new ATOM 0 HA CYS A 14 1.877 -4.013 4.845 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.272 -5.440 2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.318 -4.034 2.284 1.00 0.00 H new ATOM 0 HG CYS A 14 4.244 -5.100 4.002 1.00 0.00 H new ATOM 148 N ARG A 15 0.982 -1.854 3.996 1.00 0.00 N ATOM 149 CA ARG A 15 0.373 -0.572 3.679 1.00 0.00 C ATOM 150 C ARG A 15 1.217 0.173 2.642 1.00 0.00 C ATOM 151 O ARG A 15 2.402 0.419 2.863 1.00 0.00 O ATOM 152 CB ARG A 15 0.233 0.296 4.932 1.00 0.00 C ATOM 153 CG ARG A 15 -1.092 0.017 5.645 1.00 0.00 C ATOM 154 CD ARG A 15 -1.411 1.119 6.658 1.00 0.00 C ATOM 155 NE ARG A 15 -1.586 0.533 8.005 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.575 0.232 8.831 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.690 0.460 8.452 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.828 -0.296 10.036 1.00 0.00 N ATOM 0 H ARG A 15 1.886 -1.793 4.465 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.620 -0.767 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.064 0.100 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.288 1.349 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.896 -0.052 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.040 -0.946 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.606 1.854 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.318 1.646 6.361 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.536 0.346 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.883 0.863 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.460 0.231 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.791 -0.469 10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.058 -0.525 10.664 1.00 0.00 H new ATOM 169 N LEU A 16 0.573 0.511 1.536 1.00 0.00 N ATOM 170 CA LEU A 16 1.249 1.224 0.465 1.00 0.00 C ATOM 171 C LEU A 16 0.245 2.124 -0.257 1.00 0.00 C ATOM 172 O LEU A 16 -0.949 1.827 -0.290 1.00 0.00 O ATOM 173 CB LEU A 16 1.970 0.241 -0.461 1.00 0.00 C ATOM 174 CG LEU A 16 1.456 -1.200 -0.440 1.00 0.00 C ATOM 175 CD1 LEU A 16 -0.072 -1.236 -0.369 1.00 0.00 C ATOM 176 CD2 LEU A 16 1.993 -1.991 -1.634 1.00 0.00 C ATOM 0 H LEU A 16 -0.410 0.305 1.357 1.00 0.00 H new ATOM 0 HA LEU A 16 2.025 1.873 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.900 0.616 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.027 0.233 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 16 1.832 -1.684 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.411 -2.272 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.406 -0.733 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.489 -0.729 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.613 -3.012 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.667 -1.518 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.082 -2.008 -1.599 1.00 0.00 H new ATOM 187 N PRO A 17 0.778 3.234 -0.832 1.00 0.00 N ATOM 188 CA PRO A 17 -0.058 4.181 -1.551 1.00 0.00 C ATOM 189 C PRO A 17 -0.464 3.625 -2.918 1.00 0.00 C ATOM 190 O PRO A 17 0.374 3.485 -3.809 1.00 0.00 O ATOM 191 CB PRO A 17 0.775 5.448 -1.649 1.00 0.00 C ATOM 192 CG PRO A 17 2.212 5.023 -1.395 1.00 0.00 C ATOM 193 CD PRO A 17 2.186 3.619 -0.814 1.00 0.00 C ATOM 0 HA PRO A 17 -1.001 4.380 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.672 5.908 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.451 6.186 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.785 5.042 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.698 5.713 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.791 2.934 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.588 3.603 0.199 1.00 0.00 H new ATOM 198 N VAL A 18 -1.749 3.325 -3.042 1.00 0.00 N ATOM 199 CA VAL A 18 -2.276 2.788 -4.285 1.00 0.00 C ATOM 200 C VAL A 18 -2.762 3.939 -5.167 1.00 0.00 C ATOM 201 O VAL A 18 -3.705 4.644 -4.809 1.00 0.00 O ATOM 202 CB VAL A 18 -3.368 1.758 -3.989 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.119 1.374 -5.265 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.784 0.521 -3.303 1.00 0.00 C ATOM 0 H VAL A 18 -2.441 3.444 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.495 2.264 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.082 2.215 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.890 0.641 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.583 2.262 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.420 0.946 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.581 -0.195 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.038 0.063 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.316 0.813 -2.363 1.00 0.00 H new ATOM 214 N LEU A 19 -2.097 4.095 -6.302 1.00 0.00 N ATOM 215 CA LEU A 19 -2.449 5.149 -7.238 1.00 0.00 C ATOM 216 C LEU A 19 -3.973 5.238 -7.348 1.00 0.00 C ATOM 217 O LEU A 19 -4.665 4.223 -7.278 1.00 0.00 O ATOM 218 CB LEU A 19 -1.748 4.931 -8.579 1.00 0.00 C ATOM 219 CG LEU A 19 -2.191 5.844 -9.724 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.519 7.215 -9.624 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.944 5.182 -11.081 1.00 0.00 C ATOM 0 H LEU A 19 -1.316 3.509 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.097 6.115 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.676 5.061 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.905 3.896 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.265 6.005 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.851 7.844 -10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.790 7.685 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.437 7.094 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.268 5.852 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.881 4.971 -11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.507 4.251 -11.139 1.00 0.00 H new ATOM 232 N ARG A 20 -4.452 6.462 -7.517 1.00 0.00 N ATOM 233 CA ARG A 20 -5.881 6.696 -7.638 1.00 0.00 C ATOM 234 C ARG A 20 -6.143 8.091 -8.209 1.00 0.00 C ATOM 235 O ARG A 20 -5.836 9.095 -7.569 1.00 0.00 O ATOM 236 CB ARG A 20 -6.576 6.569 -6.281 1.00 0.00 C ATOM 237 CG ARG A 20 -8.057 6.937 -6.387 1.00 0.00 C ATOM 238 CD ARG A 20 -8.946 5.727 -6.092 1.00 0.00 C ATOM 239 NE ARG A 20 -9.253 5.007 -7.348 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.147 5.423 -8.254 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.829 6.559 -8.049 1.00 0.00 N ATOM 242 NH2 ARG A 20 -10.361 4.705 -9.365 1.00 0.00 N ATOM 0 H ARG A 20 -3.876 7.302 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.285 5.941 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.477 5.548 -5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.087 7.219 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.287 7.740 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.271 7.314 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.444 5.058 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.870 6.052 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.752 4.139 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.667 7.106 -7.203 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.510 6.876 -8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.843 3.841 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.042 5.023 -10.054 1.00 0.00 H new ATOM 253 N ARG A 21 -6.709 8.109 -9.407 1.00 0.00 N ATOM 254 CA ARG A 21 -7.016 9.363 -10.071 1.00 0.00 C ATOM 255 C ARG A 21 -8.421 9.837 -9.688 1.00 0.00 C ATOM 256 O ARG A 21 -9.414 9.291 -10.164 1.00 0.00 O ATOM 257 CB ARG A 21 -6.932 9.217 -11.592 1.00 0.00 C ATOM 258 CG ARG A 21 -5.478 9.249 -12.065 1.00 0.00 C ATOM 259 CD ARG A 21 -5.396 9.533 -13.567 1.00 0.00 C ATOM 260 NE ARG A 21 -4.345 8.695 -14.185 1.00 0.00 N ATOM 261 CZ ARG A 21 -4.527 7.424 -14.569 1.00 0.00 C ATOM 262 NH1 ARG A 21 -5.720 6.838 -14.401 1.00 0.00 N ATOM 263 NH2 ARG A 21 -3.515 6.739 -15.120 1.00 0.00 N ATOM 0 H ARG A 21 -6.963 7.274 -9.935 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.279 10.098 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.397 8.280 -11.897 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.492 10.021 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.930 10.015 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.999 8.295 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.358 9.329 -14.037 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.177 10.588 -13.734 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.424 9.111 -14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.490 7.359 -13.981 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.859 5.871 -14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.607 7.185 -15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.653 5.772 -15.412 1.00 0.00 H new ATOM 274 N ASN A 22 -8.457 10.848 -8.832 1.00 0.00 N ATOM 275 CA ASN A 22 -9.723 11.400 -8.380 1.00 0.00 C ATOM 276 C ASN A 22 -10.449 12.036 -9.567 1.00 0.00 C ATOM 277 O ASN A 22 -9.933 12.043 -10.684 1.00 0.00 O ATOM 278 CB ASN A 22 -9.504 12.484 -7.323 1.00 0.00 C ATOM 279 CG ASN A 22 -8.344 13.403 -7.713 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.381 14.104 -8.711 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.315 13.363 -6.871 1.00 0.00 N ATOM 0 H ASN A 22 -7.630 11.299 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.311 10.590 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.415 13.072 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.297 12.020 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.493 13.942 -7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.348 12.754 -6.054 1.00 0.00 H new ATOM 287 N GLN A 23 -11.635 12.555 -9.285 1.00 0.00 N ATOM 288 CA GLN A 23 -12.438 13.191 -10.315 1.00 0.00 C ATOM 289 C GLN A 23 -11.574 14.136 -11.152 1.00 0.00 C ATOM 290 O GLN A 23 -11.481 13.984 -12.369 1.00 0.00 O ATOM 291 CB GLN A 23 -13.628 13.933 -9.702 1.00 0.00 C ATOM 292 CG GLN A 23 -14.943 13.223 -10.027 1.00 0.00 C ATOM 293 CD GLN A 23 -15.368 12.304 -8.881 1.00 0.00 C ATOM 294 OE1 GLN A 23 -14.578 11.919 -8.034 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.656 11.973 -8.902 1.00 0.00 N ATOM 0 H GLN A 23 -12.059 12.548 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.835 12.416 -10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.503 13.998 -8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.659 14.954 -10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.723 13.962 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.830 12.641 -10.942 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.262 12.331 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.037 11.362 -8.180 1.00 0.00 H new ATOM 302 N ASP A 24 -10.964 15.092 -10.467 1.00 0.00 N ATOM 303 CA ASP A 24 -10.111 16.062 -11.132 1.00 0.00 C ATOM 304 C ASP A 24 -9.153 15.330 -12.075 1.00 0.00 C ATOM 305 O ASP A 24 -8.677 15.906 -13.053 1.00 0.00 O ATOM 306 CB ASP A 24 -9.271 16.844 -10.120 1.00 0.00 C ATOM 307 CG ASP A 24 -10.027 17.937 -9.362 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.058 17.591 -8.746 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.555 19.094 -9.415 1.00 0.00 O ATOM 0 H ASP A 24 -11.044 15.216 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.751 16.753 -11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.854 16.143 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.430 17.300 -10.643 1.00 0.00 H new ATOM 313 N ASN A 25 -8.899 14.071 -11.750 1.00 0.00 N ATOM 314 CA ASN A 25 -8.007 13.255 -12.555 1.00 0.00 C ATOM 315 C ASN A 25 -6.558 13.565 -12.176 1.00 0.00 C ATOM 316 O ASN A 25 -5.701 13.703 -13.048 1.00 0.00 O ATOM 317 CB ASN A 25 -8.181 13.555 -14.045 1.00 0.00 C ATOM 318 CG ASN A 25 -7.745 12.363 -14.900 1.00 0.00 C ATOM 319 OD1 ASN A 25 -8.207 11.245 -14.734 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.833 12.661 -15.819 1.00 0.00 N ATOM 0 H ASN A 25 -9.296 13.596 -10.939 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.246 12.208 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.224 13.793 -14.252 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.594 14.433 -14.314 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.477 11.933 -16.439 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.489 13.617 -15.905 1.00 0.00 H new ATOM 326 N GLU A 26 -6.329 13.664 -10.875 1.00 0.00 N ATOM 327 CA GLU A 26 -4.997 13.956 -10.370 1.00 0.00 C ATOM 328 C GLU A 26 -4.397 12.713 -9.709 1.00 0.00 C ATOM 329 O GLU A 26 -4.782 12.348 -8.600 1.00 0.00 O ATOM 330 CB GLU A 26 -5.026 15.135 -9.395 1.00 0.00 C ATOM 331 CG GLU A 26 -5.589 16.388 -10.069 1.00 0.00 C ATOM 332 CD GLU A 26 -5.328 17.632 -9.217 1.00 0.00 C ATOM 333 OE1 GLU A 26 -6.112 17.844 -8.266 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.350 18.343 -9.535 1.00 0.00 O ATOM 0 H GLU A 26 -7.042 13.547 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.364 14.239 -11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.634 14.880 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.019 15.335 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.133 16.513 -11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.661 16.270 -10.228 1.00 0.00 H new ATOM 339 N ASP A 27 -3.463 12.097 -10.420 1.00 0.00 N ATOM 340 CA ASP A 27 -2.805 10.903 -9.917 1.00 0.00 C ATOM 341 C ASP A 27 -2.533 11.069 -8.420 1.00 0.00 C ATOM 342 O ASP A 27 -1.602 11.772 -8.029 1.00 0.00 O ATOM 343 CB ASP A 27 -1.466 10.675 -10.618 1.00 0.00 C ATOM 344 CG ASP A 27 -0.378 11.699 -10.285 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.557 12.868 -10.686 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.608 11.286 -9.636 1.00 0.00 O ATOM 0 H ASP A 27 -3.147 12.403 -11.340 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.460 10.052 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.101 9.682 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.632 10.681 -11.695 1.00 0.00 H new ATOM 350 N GLU A 28 -3.362 10.411 -7.623 1.00 0.00 N ATOM 351 CA GLU A 28 -3.221 10.476 -6.178 1.00 0.00 C ATOM 352 C GLU A 28 -2.429 9.272 -5.667 1.00 0.00 C ATOM 353 O GLU A 28 -2.149 8.342 -6.422 1.00 0.00 O ATOM 354 CB GLU A 28 -4.590 10.561 -5.498 1.00 0.00 C ATOM 355 CG GLU A 28 -4.454 11.029 -4.048 1.00 0.00 C ATOM 356 CD GLU A 28 -5.642 11.900 -3.638 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.778 11.508 -3.980 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.386 12.941 -2.994 1.00 0.00 O ATOM 0 H GLU A 28 -4.134 9.830 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.669 11.382 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.231 11.250 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.075 9.585 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.388 10.164 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.528 11.592 -3.929 1.00 0.00 H new ATOM 363 N TRP A 29 -2.090 9.328 -4.387 1.00 0.00 N ATOM 364 CA TRP A 29 -1.334 8.254 -3.766 1.00 0.00 C ATOM 365 C TRP A 29 -1.798 8.128 -2.313 1.00 0.00 C ATOM 366 O TRP A 29 -1.021 8.357 -1.388 1.00 0.00 O ATOM 367 CB TRP A 29 0.171 8.495 -3.895 1.00 0.00 C ATOM 368 CG TRP A 29 0.697 8.401 -5.328 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.893 9.398 -6.202 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.088 7.198 -6.023 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.380 8.928 -7.405 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.503 7.548 -7.292 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.091 5.860 -5.594 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.951 6.615 -8.236 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.543 4.941 -6.549 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.963 5.276 -7.830 1.00 0.00 C ATOM 0 H TRP A 29 -2.325 10.100 -3.763 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.520 7.308 -4.274 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.406 9.482 -3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.699 7.769 -3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.695 10.439 -5.991 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.608 9.490 -8.225 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.770 5.564 -4.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.270 6.913 -9.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.567 3.898 -6.270 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.297 4.506 -8.510 1.00 0.00 H new ATOM 386 N PRO A 30 -3.096 7.754 -2.155 1.00 0.00 N ATOM 387 CA PRO A 30 -3.672 7.596 -0.830 1.00 0.00 C ATOM 388 C PRO A 30 -3.185 6.304 -0.171 1.00 0.00 C ATOM 389 O PRO A 30 -2.929 5.313 -0.853 1.00 0.00 O ATOM 390 CB PRO A 30 -5.177 7.619 -1.050 1.00 0.00 C ATOM 391 CG PRO A 30 -5.386 7.322 -2.527 1.00 0.00 C ATOM 392 CD PRO A 30 -4.046 7.475 -3.228 1.00 0.00 C ATOM 0 HA PRO A 30 -3.370 8.387 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.674 6.875 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.596 8.589 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.774 6.312 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.120 8.006 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.777 6.568 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.070 8.286 -3.956 1.00 0.00 H new ATOM 397 N LEU A 31 -3.070 6.358 1.148 1.00 0.00 N ATOM 398 CA LEU A 31 -2.617 5.205 1.907 1.00 0.00 C ATOM 399 C LEU A 31 -3.630 4.068 1.753 1.00 0.00 C ATOM 400 O LEU A 31 -4.829 4.273 1.935 1.00 0.00 O ATOM 401 CB LEU A 31 -2.346 5.594 3.362 1.00 0.00 C ATOM 402 CG LEU A 31 -1.287 4.764 4.092 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.798 3.350 4.373 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.032 4.754 3.316 1.00 0.00 C ATOM 0 H LEU A 31 -3.283 7.182 1.710 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.667 4.841 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.040 6.640 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.281 5.522 3.917 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.089 5.232 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.027 2.781 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.691 3.403 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.041 2.857 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.767 4.158 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.130 4.323 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.400 5.775 3.210 1.00 0.00 H new ATOM 415 N ALA A 32 -3.109 2.896 1.421 1.00 0.00 N ATOM 416 CA ALA A 32 -3.954 1.728 1.240 1.00 0.00 C ATOM 417 C ALA A 32 -3.313 0.528 1.942 1.00 0.00 C ATOM 418 O ALA A 32 -2.090 0.410 1.986 1.00 0.00 O ATOM 419 CB ALA A 32 -4.171 1.480 -0.254 1.00 0.00 C ATOM 0 H ALA A 32 -2.114 2.730 1.273 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.934 1.890 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.805 0.604 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.654 2.349 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.209 1.310 -0.738 1.00 0.00 H new ATOM 425 N GLU A 33 -4.170 -0.332 2.474 1.00 0.00 N ATOM 426 CA GLU A 33 -3.702 -1.517 3.173 1.00 0.00 C ATOM 427 C GLU A 33 -4.108 -2.779 2.407 1.00 0.00 C ATOM 428 O GLU A 33 -5.229 -2.873 1.908 1.00 0.00 O ATOM 429 CB GLU A 33 -4.234 -1.554 4.607 1.00 0.00 C ATOM 430 CG GLU A 33 -3.480 -2.590 5.444 1.00 0.00 C ATOM 431 CD GLU A 33 -4.212 -2.870 6.758 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.259 -1.940 7.591 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.709 -4.009 6.899 1.00 0.00 O ATOM 0 H GLU A 33 -5.184 -0.232 2.435 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.614 -1.479 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.132 -0.569 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.298 -1.792 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.376 -3.515 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.473 -2.230 5.654 1.00 0.00 H new ATOM 438 N ILE A 34 -3.173 -3.716 2.336 1.00 0.00 N ATOM 439 CA ILE A 34 -3.419 -4.967 1.640 1.00 0.00 C ATOM 440 C ILE A 34 -4.425 -5.801 2.436 1.00 0.00 C ATOM 441 O ILE A 34 -4.421 -5.775 3.666 1.00 0.00 O ATOM 442 CB ILE A 34 -2.102 -5.693 1.360 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.113 -4.775 0.638 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.344 -6.993 0.592 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.322 -4.827 -0.876 1.00 0.00 C ATOM 0 H ILE A 34 -2.244 -3.633 2.749 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.865 -4.778 0.664 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.652 -5.964 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.237 -3.751 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.092 -5.073 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.391 -7.489 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.986 -7.649 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.828 -6.769 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.607 -4.166 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.173 -5.847 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.336 -4.505 -1.115 1.00 0.00 H new ATOM 456 N LEU A 35 -5.261 -6.522 1.703 1.00 0.00 N ATOM 457 CA LEU A 35 -6.268 -7.361 2.326 1.00 0.00 C ATOM 458 C LEU A 35 -6.130 -8.792 1.802 1.00 0.00 C ATOM 459 O LEU A 35 -6.038 -9.737 2.583 1.00 0.00 O ATOM 460 CB LEU A 35 -7.663 -6.765 2.124 1.00 0.00 C ATOM 461 CG LEU A 35 -7.810 -5.278 2.453 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.220 -4.781 2.126 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.426 -4.997 3.907 1.00 0.00 C ATOM 0 H LEU A 35 -5.261 -6.542 0.683 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.116 -7.400 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.955 -6.918 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.368 -7.324 2.739 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.117 -4.719 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.298 -3.721 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.420 -4.925 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.948 -5.342 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.540 -3.933 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.075 -5.567 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.389 -5.290 4.073 1.00 0.00 H new ATOM 474 N SER A 36 -6.118 -8.906 0.481 1.00 0.00 N ATOM 475 CA SER A 36 -5.991 -10.204 -0.157 1.00 0.00 C ATOM 476 C SER A 36 -5.278 -10.059 -1.502 1.00 0.00 C ATOM 477 O SER A 36 -5.420 -9.041 -2.178 1.00 0.00 O ATOM 478 CB SER A 36 -7.362 -10.859 -0.351 1.00 0.00 C ATOM 479 OG SER A 36 -7.305 -12.273 -0.191 1.00 0.00 O ATOM 0 H SER A 36 -6.194 -8.120 -0.164 1.00 0.00 H new ATOM 0 HA SER A 36 -5.399 -10.848 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.068 -10.441 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.740 -10.622 -1.345 1.00 0.00 H new ATOM 0 HG SER A 36 -6.781 -12.491 0.608 1.00 0.00 H new ATOM 484 N VAL A 37 -4.525 -11.093 -1.851 1.00 0.00 N ATOM 485 CA VAL A 37 -3.789 -11.093 -3.103 1.00 0.00 C ATOM 486 C VAL A 37 -4.403 -12.125 -4.052 1.00 0.00 C ATOM 487 O VAL A 37 -5.231 -12.937 -3.639 1.00 0.00 O ATOM 488 CB VAL A 37 -2.302 -11.337 -2.836 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.504 -11.342 -4.141 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.744 -10.302 -1.856 1.00 0.00 C ATOM 0 H VAL A 37 -4.409 -11.936 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.863 -10.120 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.201 -12.321 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.451 -11.517 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.876 -12.133 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.616 -10.379 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.686 -10.498 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.865 -9.303 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.284 -10.367 -0.911 1.00 0.00 H new ATOM 500 N LYS A 38 -3.973 -12.061 -5.302 1.00 0.00 N ATOM 501 CA LYS A 38 -4.471 -12.980 -6.313 1.00 0.00 C ATOM 502 C LYS A 38 -3.508 -12.996 -7.500 1.00 0.00 C ATOM 503 O LYS A 38 -2.484 -12.313 -7.485 1.00 0.00 O ATOM 504 CB LYS A 38 -5.911 -12.630 -6.693 1.00 0.00 C ATOM 505 CG LYS A 38 -6.667 -13.870 -7.175 1.00 0.00 C ATOM 506 CD LYS A 38 -7.056 -13.736 -8.650 1.00 0.00 C ATOM 507 CE LYS A 38 -8.570 -13.855 -8.831 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.024 -15.225 -8.503 1.00 0.00 N ATOM 0 H LYS A 38 -3.285 -11.388 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.508 -13.996 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.423 -12.199 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.910 -11.872 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.046 -14.755 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.563 -14.012 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.715 -12.775 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.555 -14.508 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.077 -13.134 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.840 -13.612 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.006 -15.351 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.414 -15.917 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.971 -15.371 -7.475 1.00 0.00 H new ATOM 518 N ASP A 39 -3.868 -13.783 -8.503 1.00 0.00 N ATOM 519 CA ASP A 39 -3.048 -13.897 -9.698 1.00 0.00 C ATOM 520 C ASP A 39 -3.893 -14.467 -10.839 1.00 0.00 C ATOM 521 O ASP A 39 -4.480 -15.540 -10.705 1.00 0.00 O ATOM 522 CB ASP A 39 -1.866 -14.839 -9.467 1.00 0.00 C ATOM 523 CG ASP A 39 -1.278 -15.461 -10.735 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.382 -14.816 -11.321 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.738 -16.569 -11.089 1.00 0.00 O ATOM 0 H ASP A 39 -4.717 -14.348 -8.513 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.673 -12.904 -9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.079 -14.290 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.185 -15.641 -8.801 1.00 0.00 H new ATOM 529 N ILE A 40 -3.928 -13.725 -11.936 1.00 0.00 N ATOM 530 CA ILE A 40 -4.690 -14.144 -13.099 1.00 0.00 C ATOM 531 C ILE A 40 -3.787 -14.112 -14.334 1.00 0.00 C ATOM 532 O ILE A 40 -3.944 -13.252 -15.199 1.00 0.00 O ATOM 533 CB ILE A 40 -5.958 -13.300 -13.242 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.843 -13.426 -12.000 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.713 -13.656 -14.523 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.576 -12.114 -11.713 1.00 0.00 C ATOM 0 H ILE A 40 -3.440 -12.836 -12.044 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.032 -15.172 -12.980 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.664 -12.253 -13.323 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.568 -14.227 -12.145 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.232 -13.701 -11.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.610 -13.041 -14.599 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.073 -13.472 -15.386 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.995 -14.708 -14.498 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.198 -12.231 -10.825 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.848 -11.320 -11.544 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.205 -11.855 -12.565 1.00 0.00 H new ATOM 547 N SER A 41 -2.863 -15.060 -14.378 1.00 0.00 N ATOM 548 CA SER A 41 -1.936 -15.151 -15.492 1.00 0.00 C ATOM 549 C SER A 41 -0.894 -14.034 -15.399 1.00 0.00 C ATOM 550 O SER A 41 -0.702 -13.279 -16.351 1.00 0.00 O ATOM 551 CB SER A 41 -2.674 -15.078 -16.831 1.00 0.00 C ATOM 552 OG SER A 41 -2.236 -16.086 -17.737 1.00 0.00 O ATOM 0 H SER A 41 -2.737 -15.772 -13.659 1.00 0.00 H new ATOM 0 HA SER A 41 -1.431 -16.116 -15.438 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.745 -15.184 -16.661 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.518 -14.096 -17.278 1.00 0.00 H new ATOM 0 HG SER A 41 -2.732 -16.007 -18.579 1.00 0.00 H new ATOM 557 N GLY A 42 -0.250 -13.965 -14.243 1.00 0.00 N ATOM 558 CA GLY A 42 0.767 -12.952 -14.014 1.00 0.00 C ATOM 559 C GLY A 42 0.150 -11.676 -13.438 1.00 0.00 C ATOM 560 O GLY A 42 0.823 -10.915 -12.745 1.00 0.00 O ATOM 0 H GLY A 42 -0.412 -14.593 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.521 -13.337 -13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.275 -12.724 -14.951 1.00 0.00 H new ATOM 564 N ARG A 43 -1.124 -11.481 -13.747 1.00 0.00 N ATOM 565 CA ARG A 43 -1.839 -10.311 -13.269 1.00 0.00 C ATOM 566 C ARG A 43 -2.232 -10.491 -11.802 1.00 0.00 C ATOM 567 O ARG A 43 -3.343 -10.927 -11.502 1.00 0.00 O ATOM 568 CB ARG A 43 -3.099 -10.057 -14.100 1.00 0.00 C ATOM 569 CG ARG A 43 -3.501 -8.582 -14.050 1.00 0.00 C ATOM 570 CD ARG A 43 -4.494 -8.323 -12.914 1.00 0.00 C ATOM 571 NE ARG A 43 -5.790 -7.876 -13.468 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.956 -6.755 -14.183 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.907 -5.960 -14.435 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.171 -6.427 -14.645 1.00 0.00 N ATOM 0 H ARG A 43 -1.679 -12.114 -14.323 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.174 -9.453 -13.368 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.923 -10.355 -15.134 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.916 -10.673 -13.725 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.614 -7.964 -13.911 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.947 -8.290 -15.001 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.634 -9.231 -12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.097 -7.565 -12.238 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.610 -8.458 -13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.983 -6.208 -14.083 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.033 -5.107 -14.979 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.970 -7.031 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.296 -5.573 -15.189 1.00 0.00 H new ATOM 585 N LYS A 44 -1.300 -10.147 -10.926 1.00 0.00 N ATOM 586 CA LYS A 44 -1.535 -10.265 -9.497 1.00 0.00 C ATOM 587 C LYS A 44 -2.507 -9.171 -9.052 1.00 0.00 C ATOM 588 O LYS A 44 -2.299 -7.994 -9.343 1.00 0.00 O ATOM 589 CB LYS A 44 -0.209 -10.257 -8.733 1.00 0.00 C ATOM 590 CG LYS A 44 0.173 -11.669 -8.283 1.00 0.00 C ATOM 591 CD LYS A 44 0.380 -11.724 -6.769 1.00 0.00 C ATOM 592 CE LYS A 44 1.707 -11.072 -6.372 1.00 0.00 C ATOM 593 NZ LYS A 44 2.773 -12.092 -6.264 1.00 0.00 N ATOM 0 H LYS A 44 -0.380 -9.786 -11.178 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.004 -11.222 -9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.578 -9.848 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.290 -9.604 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.609 -12.371 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.086 -11.982 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.443 -11.216 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.366 -12.761 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.986 -10.322 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.594 -10.553 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.666 -11.633 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.511 -12.792 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.892 -12.568 -7.181 1.00 0.00 H new ATOM 603 N LEU A 45 -3.549 -9.598 -8.353 1.00 0.00 N ATOM 604 CA LEU A 45 -4.554 -8.669 -7.865 1.00 0.00 C ATOM 605 C LEU A 45 -4.440 -8.554 -6.344 1.00 0.00 C ATOM 606 O LEU A 45 -4.214 -9.549 -5.657 1.00 0.00 O ATOM 607 CB LEU A 45 -5.946 -9.083 -8.347 1.00 0.00 C ATOM 608 CG LEU A 45 -6.560 -8.214 -9.446 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.473 -7.539 -10.284 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.528 -9.025 -10.311 1.00 0.00 C ATOM 0 H LEU A 45 -3.719 -10.575 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.383 -7.674 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.893 -10.109 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.621 -9.082 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.138 -7.422 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.937 -6.927 -11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.859 -6.907 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.847 -8.300 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.950 -8.383 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.993 -9.852 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.331 -9.418 -9.688 1.00 0.00 H new ATOM 621 N PHE A 46 -4.601 -7.330 -5.861 1.00 0.00 N ATOM 622 CA PHE A 46 -4.519 -7.072 -4.434 1.00 0.00 C ATOM 623 C PHE A 46 -5.676 -6.184 -3.970 1.00 0.00 C ATOM 624 O PHE A 46 -5.822 -5.055 -4.436 1.00 0.00 O ATOM 625 CB PHE A 46 -3.198 -6.340 -4.187 1.00 0.00 C ATOM 626 CG PHE A 46 -1.991 -6.988 -4.866 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.676 -6.663 -6.148 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.233 -7.891 -4.188 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.555 -7.264 -6.780 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.112 -8.493 -4.819 1.00 0.00 C ATOM 631 CZ PHE A 46 0.203 -8.167 -6.101 1.00 0.00 C ATOM 0 H PHE A 46 -4.788 -6.507 -6.433 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.573 -8.010 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.292 -5.313 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.016 -6.293 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.279 -5.947 -6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.483 -8.150 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.305 -7.005 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.490 -9.210 -4.281 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.055 -8.625 -6.580 1.00 0.00 H new ATOM 640 N TYR A 47 -6.467 -6.727 -3.057 1.00 0.00 N ATOM 641 CA TYR A 47 -7.605 -5.998 -2.525 1.00 0.00 C ATOM 642 C TYR A 47 -7.166 -5.003 -1.449 1.00 0.00 C ATOM 643 O TYR A 47 -7.090 -5.350 -0.271 1.00 0.00 O ATOM 644 CB TYR A 47 -8.519 -7.048 -1.888 1.00 0.00 C ATOM 645 CG TYR A 47 -9.957 -6.572 -1.670 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.668 -6.019 -2.715 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.542 -6.695 -0.425 1.00 0.00 C ATOM 648 CE1 TYR A 47 -12.020 -5.571 -2.509 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.895 -6.247 -0.219 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.567 -5.707 -1.271 1.00 0.00 C ATOM 651 OH TYR A 47 -13.844 -5.284 -1.076 1.00 0.00 O ATOM 0 H TYR A 47 -6.342 -7.663 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.102 -5.434 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.533 -7.935 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.097 -7.348 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.210 -5.922 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.985 -7.127 0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.587 -5.137 -3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.365 -6.338 0.749 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.186 -5.652 -0.234 1.00 0.00 H new ATOM 660 N VAL A 48 -6.888 -3.786 -1.892 1.00 0.00 N ATOM 661 CA VAL A 48 -6.457 -2.738 -0.982 1.00 0.00 C ATOM 662 C VAL A 48 -7.667 -1.899 -0.568 1.00 0.00 C ATOM 663 O VAL A 48 -8.698 -1.916 -1.240 1.00 0.00 O ATOM 664 CB VAL A 48 -5.346 -1.907 -1.628 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.254 -2.809 -2.207 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.912 -0.974 -2.699 1.00 0.00 C ATOM 0 H VAL A 48 -6.953 -3.502 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.035 -3.170 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.894 -1.290 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.476 -2.194 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.820 -3.413 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.686 -3.464 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.102 -0.395 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.402 -1.564 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.636 -0.297 -2.246 1.00 0.00 H new ATOM 676 N HIS A 49 -7.502 -1.184 0.535 1.00 0.00 N ATOM 677 CA HIS A 49 -8.568 -0.339 1.047 1.00 0.00 C ATOM 678 C HIS A 49 -8.003 1.031 1.420 1.00 0.00 C ATOM 679 O HIS A 49 -7.180 1.141 2.329 1.00 0.00 O ATOM 680 CB HIS A 49 -9.291 -1.021 2.211 1.00 0.00 C ATOM 681 CG HIS A 49 -10.095 -0.077 3.071 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.286 0.490 2.652 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.869 0.393 4.332 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.745 1.264 3.623 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.865 1.203 4.664 1.00 0.00 N ATOM 0 H HIS A 49 -6.646 -1.172 1.089 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.318 -0.184 0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.955 -1.789 1.813 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.555 -1.528 2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.022 0.147 4.955 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.657 1.843 3.596 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -10.958 1.698 5.551 1.00 0.00 H new ATOM 692 N TYR A 50 -8.466 2.043 0.702 1.00 0.00 N ATOM 693 CA TYR A 50 -8.016 3.403 0.947 1.00 0.00 C ATOM 694 C TYR A 50 -8.385 3.856 2.360 1.00 0.00 C ATOM 695 O TYR A 50 -9.564 3.910 2.711 1.00 0.00 O ATOM 696 CB TYR A 50 -8.754 4.280 -0.066 1.00 0.00 C ATOM 697 CG TYR A 50 -8.607 3.815 -1.516 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.369 3.835 -2.126 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.713 3.375 -2.215 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.230 3.398 -3.490 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.574 2.936 -3.579 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.341 2.969 -4.150 1.00 0.00 C ATOM 703 OH TYR A 50 -8.210 2.555 -5.439 1.00 0.00 O ATOM 0 H TYR A 50 -9.149 1.949 -0.050 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.933 3.472 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.813 4.303 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.384 5.302 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.504 4.179 -1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.682 3.360 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.267 3.410 -3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.431 2.588 -4.137 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.179 1.576 -5.467 1.00 0.00 H new ATOM 712 N ILE A 51 -7.357 4.171 3.135 1.00 0.00 N ATOM 713 CA ILE A 51 -7.559 4.618 4.503 1.00 0.00 C ATOM 714 C ILE A 51 -7.442 6.142 4.559 1.00 0.00 C ATOM 715 O ILE A 51 -6.731 6.744 3.756 1.00 0.00 O ATOM 716 CB ILE A 51 -6.601 3.892 5.450 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.182 3.863 4.879 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.115 2.489 5.779 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.887 2.519 4.211 1.00 0.00 C ATOM 0 H ILE A 51 -6.381 4.125 2.841 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.562 4.362 4.844 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.559 4.448 6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.062 4.668 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.461 4.042 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.416 1.994 6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.091 2.562 6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.204 1.909 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.872 2.525 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.985 1.719 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.594 2.354 3.398 1.00 0.00 H new ATOM 730 N ASP A 52 -8.150 6.723 5.517 1.00 0.00 N ATOM 731 CA ASP A 52 -8.135 8.165 5.688 1.00 0.00 C ATOM 732 C ASP A 52 -9.321 8.584 6.558 1.00 0.00 C ATOM 733 O ASP A 52 -9.165 8.817 7.756 1.00 0.00 O ATOM 734 CB ASP A 52 -8.260 8.882 4.342 1.00 0.00 C ATOM 735 CG ASP A 52 -6.944 9.401 3.761 1.00 0.00 C ATOM 736 OD1 ASP A 52 -5.970 9.477 4.541 1.00 0.00 O ATOM 737 OD2 ASP A 52 -6.941 9.712 2.550 1.00 0.00 O ATOM 0 H ASP A 52 -8.738 6.221 6.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.189 8.438 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.712 8.198 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.945 9.722 4.457 1.00 0.00 H new ATOM 741 N PHE A 53 -10.481 8.666 5.923 1.00 0.00 N ATOM 742 CA PHE A 53 -11.694 9.052 6.624 1.00 0.00 C ATOM 743 C PHE A 53 -12.745 7.944 6.552 1.00 0.00 C ATOM 744 O PHE A 53 -13.121 7.373 7.574 1.00 0.00 O ATOM 745 CB PHE A 53 -12.237 10.301 5.925 1.00 0.00 C ATOM 746 CG PHE A 53 -12.934 11.287 6.864 1.00 0.00 C ATOM 747 CD1 PHE A 53 -12.268 11.789 7.938 1.00 0.00 C ATOM 748 CD2 PHE A 53 -14.220 11.659 6.625 1.00 0.00 C ATOM 749 CE1 PHE A 53 -12.915 12.705 8.809 1.00 0.00 C ATOM 750 CE2 PHE A 53 -14.867 12.574 7.498 1.00 0.00 C ATOM 751 CZ PHE A 53 -14.201 13.078 8.571 1.00 0.00 C ATOM 0 H PHE A 53 -10.607 8.471 4.930 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.473 9.238 7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -11.414 10.812 5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.940 9.994 5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -11.247 11.491 8.128 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.749 11.259 5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.386 13.106 9.661 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.889 12.870 7.309 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.693 13.774 9.234 1.00 0.00 H new ATOM 760 N ASN A 54 -13.190 7.673 5.334 1.00 0.00 N ATOM 761 CA ASN A 54 -14.191 6.643 5.116 1.00 0.00 C ATOM 762 C ASN A 54 -13.559 5.267 5.334 1.00 0.00 C ATOM 763 O ASN A 54 -12.335 5.142 5.370 1.00 0.00 O ATOM 764 CB ASN A 54 -14.730 6.693 3.684 1.00 0.00 C ATOM 765 CG ASN A 54 -16.176 7.191 3.660 1.00 0.00 C ATOM 766 OD1 ASN A 54 -16.471 8.334 3.969 1.00 0.00 O ATOM 767 ND2 ASN A 54 -17.058 6.272 3.277 1.00 0.00 N ATOM 0 H ASN A 54 -12.876 8.149 4.488 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.008 6.815 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.105 7.350 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.676 5.701 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.050 6.506 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.743 5.333 3.032 1.00 0.00 H new ATOM 773 N ARG A 55 -14.419 4.271 5.475 1.00 0.00 N ATOM 774 CA ARG A 55 -13.959 2.909 5.690 1.00 0.00 C ATOM 775 C ARG A 55 -14.739 1.938 4.801 1.00 0.00 C ATOM 776 O ARG A 55 -14.966 0.790 5.178 1.00 0.00 O ATOM 777 CB ARG A 55 -14.126 2.495 7.153 1.00 0.00 C ATOM 778 CG ARG A 55 -12.775 2.463 7.871 1.00 0.00 C ATOM 779 CD ARG A 55 -12.508 1.082 8.475 1.00 0.00 C ATOM 780 NE ARG A 55 -11.766 1.221 9.747 1.00 0.00 N ATOM 781 CZ ARG A 55 -10.475 1.571 9.830 1.00 0.00 C ATOM 782 NH1 ARG A 55 -9.776 1.821 8.714 1.00 0.00 N ATOM 783 NH2 ARG A 55 -9.884 1.672 11.028 1.00 0.00 N ATOM 0 H ARG A 55 -15.433 4.379 5.445 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.900 2.873 5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.794 3.193 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.593 1.512 7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.980 2.717 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.759 3.217 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.451 0.564 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.935 0.474 7.775 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.269 1.039 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.227 1.745 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.793 2.087 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.417 1.482 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.901 1.938 11.091 1.00 0.00 H new ATOM 794 N ARG A 56 -15.130 2.436 3.636 1.00 0.00 N ATOM 795 CA ARG A 56 -15.879 1.627 2.690 1.00 0.00 C ATOM 796 C ARG A 56 -15.386 1.883 1.264 1.00 0.00 C ATOM 797 O ARG A 56 -16.181 2.165 0.370 1.00 0.00 O ATOM 798 CB ARG A 56 -17.375 1.935 2.767 1.00 0.00 C ATOM 799 CG ARG A 56 -18.204 0.776 2.209 1.00 0.00 C ATOM 800 CD ARG A 56 -19.628 1.229 1.880 1.00 0.00 C ATOM 801 NE ARG A 56 -20.505 0.049 1.702 1.00 0.00 N ATOM 802 CZ ARG A 56 -20.627 -0.630 0.553 1.00 0.00 C ATOM 803 NH1 ARG A 56 -19.930 -0.252 -0.526 1.00 0.00 N ATOM 804 NH2 ARG A 56 -21.448 -1.687 0.485 1.00 0.00 N ATOM 0 H ARG A 56 -14.942 3.390 3.327 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.720 0.581 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.658 2.123 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -17.592 2.844 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.727 0.382 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.236 -0.036 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.012 1.861 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -19.626 1.832 0.972 1.00 0.00 H new ATOM 0 HE ARG A 56 -21.050 -0.267 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.306 0.553 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.023 -0.769 -1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -21.979 -1.974 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.542 -2.205 -0.389 1.00 0.00 H new ATOM 815 N LEU A 57 -14.075 1.776 1.098 1.00 0.00 N ATOM 816 CA LEU A 57 -13.467 1.992 -0.204 1.00 0.00 C ATOM 817 C LEU A 57 -12.477 0.862 -0.493 1.00 0.00 C ATOM 818 O LEU A 57 -11.293 1.111 -0.716 1.00 0.00 O ATOM 819 CB LEU A 57 -12.846 3.388 -0.279 1.00 0.00 C ATOM 820 CG LEU A 57 -13.689 4.529 0.295 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.889 5.341 1.316 1.00 0.00 C ATOM 822 CD2 LEU A 57 -14.253 5.409 -0.823 1.00 0.00 C ATOM 0 H LEU A 57 -13.418 1.543 1.843 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.223 1.962 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.891 3.368 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.630 3.612 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.538 4.095 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.511 6.146 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.577 4.691 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.008 5.765 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.848 6.212 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.432 5.836 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.881 4.806 -1.479 1.00 0.00 H new ATOM 833 N ASP A 58 -12.997 -0.356 -0.481 1.00 0.00 N ATOM 834 CA ASP A 58 -12.174 -1.525 -0.738 1.00 0.00 C ATOM 835 C ASP A 58 -12.353 -1.958 -2.195 1.00 0.00 C ATOM 836 O ASP A 58 -13.477 -2.061 -2.682 1.00 0.00 O ATOM 837 CB ASP A 58 -12.584 -2.696 0.156 1.00 0.00 C ATOM 838 CG ASP A 58 -14.091 -2.945 0.246 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.797 -2.488 -0.679 1.00 0.00 O ATOM 840 OD2 ASP A 58 -14.503 -3.586 1.236 1.00 0.00 O ATOM 0 H ASP A 58 -13.980 -0.559 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.137 -1.259 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.103 -3.601 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.200 -2.518 1.160 1.00 0.00 H new ATOM 844 N GLU A 59 -11.226 -2.199 -2.850 1.00 0.00 N ATOM 845 CA GLU A 59 -11.244 -2.618 -4.241 1.00 0.00 C ATOM 846 C GLU A 59 -9.909 -3.261 -4.619 1.00 0.00 C ATOM 847 O GLU A 59 -8.898 -3.041 -3.952 1.00 0.00 O ATOM 848 CB GLU A 59 -11.567 -1.441 -5.164 1.00 0.00 C ATOM 849 CG GLU A 59 -10.399 -0.455 -5.224 1.00 0.00 C ATOM 850 CD GLU A 59 -10.569 0.527 -6.384 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.633 1.180 -6.425 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.630 0.601 -7.206 1.00 0.00 O ATOM 0 H GLU A 59 -10.295 -2.112 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.031 -3.362 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.788 -1.810 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.461 -0.930 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.334 0.094 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.463 -1.001 -5.340 1.00 0.00 H new ATOM 857 N TRP A 60 -9.945 -4.044 -5.687 1.00 0.00 N ATOM 858 CA TRP A 60 -8.751 -4.720 -6.161 1.00 0.00 C ATOM 859 C TRP A 60 -7.940 -3.722 -6.991 1.00 0.00 C ATOM 860 O TRP A 60 -8.509 -2.881 -7.686 1.00 0.00 O ATOM 861 CB TRP A 60 -9.110 -5.989 -6.938 1.00 0.00 C ATOM 862 CG TRP A 60 -10.007 -6.958 -6.164 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.327 -6.871 -5.955 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.592 -8.170 -5.501 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.792 -7.936 -5.209 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.703 -8.751 -4.925 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.319 -8.759 -5.393 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.654 -9.948 -4.199 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.287 -9.954 -4.665 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.397 -10.550 -4.078 1.00 0.00 C ATOM 0 H TRP A 60 -10.784 -4.225 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.140 -5.055 -5.323 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.611 -5.707 -7.864 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.191 -6.504 -7.217 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.949 -6.069 -6.323 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.757 -8.095 -4.920 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.436 -8.323 -5.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.538 -10.382 -3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.333 -10.448 -4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.289 -11.475 -3.530 1.00 0.00 H new ATOM 880 N VAL A 61 -6.625 -3.849 -6.891 1.00 0.00 N ATOM 881 CA VAL A 61 -5.731 -2.968 -7.624 1.00 0.00 C ATOM 882 C VAL A 61 -4.642 -3.803 -8.299 1.00 0.00 C ATOM 883 O VAL A 61 -4.707 -5.031 -8.303 1.00 0.00 O ATOM 884 CB VAL A 61 -5.168 -1.897 -6.687 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.296 -1.143 -5.978 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.196 -2.507 -5.677 1.00 0.00 C ATOM 0 H VAL A 61 -6.157 -4.548 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.272 -2.441 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.613 -1.180 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.870 -0.387 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.933 -0.660 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.890 -1.844 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.811 -1.724 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.715 -3.256 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.368 -2.977 -6.207 1.00 0.00 H new ATOM 896 N THR A 62 -3.663 -3.103 -8.856 1.00 0.00 N ATOM 897 CA THR A 62 -2.562 -3.763 -9.534 1.00 0.00 C ATOM 898 C THR A 62 -1.226 -3.344 -8.914 1.00 0.00 C ATOM 899 O THR A 62 -1.176 -2.416 -8.110 1.00 0.00 O ATOM 900 CB THR A 62 -2.665 -3.445 -11.026 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.724 -2.022 -11.075 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.997 -3.894 -11.630 1.00 0.00 C ATOM 0 H THR A 62 -3.611 -2.084 -8.851 1.00 0.00 H new ATOM 0 HA THR A 62 -2.616 -4.845 -9.414 1.00 0.00 H new ATOM 0 HB THR A 62 -1.845 -3.928 -11.557 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.965 -1.736 -11.981 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.018 -3.644 -12.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.107 -4.972 -11.508 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.817 -3.386 -11.122 1.00 0.00 H new ATOM 910 N HIS A 63 -0.178 -4.050 -9.314 1.00 0.00 N ATOM 911 CA HIS A 63 1.153 -3.763 -8.809 1.00 0.00 C ATOM 912 C HIS A 63 1.542 -2.329 -9.171 1.00 0.00 C ATOM 913 O HIS A 63 2.064 -1.592 -8.336 1.00 0.00 O ATOM 914 CB HIS A 63 2.161 -4.798 -9.314 1.00 0.00 C ATOM 915 CG HIS A 63 3.600 -4.350 -9.219 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.548 -4.666 -10.177 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.242 -3.605 -8.273 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.705 -4.133 -9.814 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.514 -3.477 -8.633 1.00 0.00 N ATOM 0 H HIS A 63 -0.224 -4.820 -9.982 1.00 0.00 H new ATOM 0 HA HIS A 63 1.157 -3.839 -7.722 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.039 -5.718 -8.742 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.933 -5.036 -10.353 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.792 -3.190 -7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.636 -4.205 -10.357 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.230 -2.971 -8.112 1.00 0.00 H new ATOM 926 N GLU A 64 1.273 -1.975 -10.420 1.00 0.00 N ATOM 927 CA GLU A 64 1.589 -0.642 -10.905 1.00 0.00 C ATOM 928 C GLU A 64 1.121 0.412 -9.899 1.00 0.00 C ATOM 929 O GLU A 64 1.746 1.462 -9.760 1.00 0.00 O ATOM 930 CB GLU A 64 0.970 -0.400 -12.283 1.00 0.00 C ATOM 931 CG GLU A 64 -0.530 -0.701 -12.271 1.00 0.00 C ATOM 932 CD GLU A 64 -1.119 -0.606 -13.681 1.00 0.00 C ATOM 933 OE1 GLU A 64 -1.092 0.516 -14.232 1.00 0.00 O ATOM 934 OE2 GLU A 64 -1.583 -1.656 -14.173 1.00 0.00 O ATOM 0 H GLU A 64 0.840 -2.588 -11.110 1.00 0.00 H new ATOM 0 HA GLU A 64 2.671 -0.560 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.134 0.635 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.465 -1.029 -13.023 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.701 -1.699 -11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.040 0.001 -11.612 1.00 0.00 H new ATOM 939 N ARG A 65 0.024 0.096 -9.226 1.00 0.00 N ATOM 940 CA ARG A 65 -0.535 1.004 -8.238 1.00 0.00 C ATOM 941 C ARG A 65 0.174 0.826 -6.895 1.00 0.00 C ATOM 942 O ARG A 65 0.266 1.769 -6.109 1.00 0.00 O ATOM 943 CB ARG A 65 -2.034 0.761 -8.053 1.00 0.00 C ATOM 944 CG ARG A 65 -2.855 1.686 -8.954 1.00 0.00 C ATOM 945 CD ARG A 65 -4.010 0.927 -9.612 1.00 0.00 C ATOM 946 NE ARG A 65 -4.973 1.883 -10.201 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.105 1.523 -10.821 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.422 0.226 -10.937 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.921 2.460 -11.325 1.00 0.00 N ATOM 0 H ARG A 65 -0.492 -0.775 -9.345 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.386 2.022 -8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.269 -0.278 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.307 0.927 -7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.248 2.516 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.212 2.115 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.625 0.262 -10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.512 0.301 -8.874 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.762 2.878 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.802 -0.487 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.284 -0.048 -11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.680 3.447 -11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.783 2.186 -11.797 1.00 0.00 H new ATOM 960 N LEU A 66 0.656 -0.387 -6.670 1.00 0.00 N ATOM 961 CA LEU A 66 1.353 -0.699 -5.436 1.00 0.00 C ATOM 962 C LEU A 66 2.730 -0.031 -5.448 1.00 0.00 C ATOM 963 O LEU A 66 3.565 -0.338 -6.298 1.00 0.00 O ATOM 964 CB LEU A 66 1.406 -2.212 -5.217 1.00 0.00 C ATOM 965 CG LEU A 66 0.056 -2.930 -5.165 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.239 -4.448 -5.242 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.740 -2.510 -3.928 1.00 0.00 C ATOM 0 H LEU A 66 0.577 -1.166 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 66 0.810 -0.295 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.000 -2.654 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.934 -2.406 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.524 -2.631 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.736 -4.934 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.737 -4.708 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.846 -4.784 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.695 -3.035 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.176 -2.761 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.917 -1.435 -3.957 1.00 0.00 H new ATOM 978 N ASP A 67 2.925 0.870 -4.498 1.00 0.00 N ATOM 979 CA ASP A 67 4.186 1.584 -4.389 1.00 0.00 C ATOM 980 C ASP A 67 4.992 1.012 -3.221 1.00 0.00 C ATOM 981 O ASP A 67 5.111 1.648 -2.175 1.00 0.00 O ATOM 982 CB ASP A 67 3.954 3.073 -4.120 1.00 0.00 C ATOM 983 CG ASP A 67 5.036 4.004 -4.670 1.00 0.00 C ATOM 984 OD1 ASP A 67 5.980 3.472 -5.293 1.00 0.00 O ATOM 985 OD2 ASP A 67 4.895 5.228 -4.454 1.00 0.00 O ATOM 0 H ASP A 67 2.230 1.123 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 67 4.723 1.467 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.995 3.360 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.878 3.225 -3.043 1.00 0.00 H new ATOM 989 N LEU A 68 5.523 -0.181 -3.439 1.00 0.00 N ATOM 990 CA LEU A 68 6.315 -0.845 -2.417 1.00 0.00 C ATOM 991 C LEU A 68 7.406 0.107 -1.924 1.00 0.00 C ATOM 992 O LEU A 68 7.936 -0.066 -0.828 1.00 0.00 O ATOM 993 CB LEU A 68 6.852 -2.180 -2.939 1.00 0.00 C ATOM 994 CG LEU A 68 5.906 -2.979 -3.837 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.369 -4.431 -3.968 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.462 -2.881 -3.338 1.00 0.00 C ATOM 0 H LEU A 68 5.421 -0.706 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 68 5.695 -1.092 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.771 -1.988 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.120 -2.801 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 68 5.933 -2.541 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.679 -4.976 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.368 -4.456 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.391 -4.896 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.810 -3.458 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.400 -3.278 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.147 -1.838 -3.339 1.00 0.00 H new ATOM 1007 N LYS A 69 7.709 1.091 -2.758 1.00 0.00 N ATOM 1008 CA LYS A 69 8.728 2.070 -2.420 1.00 0.00 C ATOM 1009 C LYS A 69 8.242 2.920 -1.245 1.00 0.00 C ATOM 1010 O LYS A 69 9.009 3.696 -0.676 1.00 0.00 O ATOM 1011 CB LYS A 69 9.113 2.890 -3.654 1.00 0.00 C ATOM 1012 CG LYS A 69 9.477 1.976 -4.827 1.00 0.00 C ATOM 1013 CD LYS A 69 10.786 2.421 -5.482 1.00 0.00 C ATOM 1014 CE LYS A 69 10.745 2.197 -6.995 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.699 3.099 -7.678 1.00 0.00 N ATOM 0 H LYS A 69 7.267 1.231 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 69 9.643 1.572 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.284 3.539 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.957 3.537 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.573 0.948 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.675 1.988 -5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.962 3.476 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.620 1.866 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.990 1.159 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.736 2.375 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.659 2.934 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.447 4.088 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.662 2.910 -7.335 1.00 0.00 H new ATOM 1025 N LYS A 70 6.971 2.746 -0.916 1.00 0.00 N ATOM 1026 CA LYS A 70 6.373 3.487 0.182 1.00 0.00 C ATOM 1027 C LYS A 70 5.568 2.529 1.061 1.00 0.00 C ATOM 1028 O LYS A 70 4.718 2.960 1.840 1.00 0.00 O ATOM 1029 CB LYS A 70 5.557 4.667 -0.350 1.00 0.00 C ATOM 1030 CG LYS A 70 6.441 5.632 -1.144 1.00 0.00 C ATOM 1031 CD LYS A 70 6.110 7.086 -0.802 1.00 0.00 C ATOM 1032 CE LYS A 70 7.024 8.049 -1.561 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.243 8.849 -2.532 1.00 0.00 N ATOM 0 H LYS A 70 6.338 2.102 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 70 7.147 3.923 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.751 4.299 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.091 5.196 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.490 5.433 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.300 5.465 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.069 7.294 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.219 7.245 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.528 8.711 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.799 7.488 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.879 9.498 -3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.782 8.214 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.519 9.399 -2.026 1.00 0.00 H new ATOM 1043 N ILE A 71 5.862 1.246 0.906 1.00 0.00 N ATOM 1044 CA ILE A 71 5.175 0.223 1.676 1.00 0.00 C ATOM 1045 C ILE A 71 5.392 0.482 3.168 1.00 0.00 C ATOM 1046 O ILE A 71 6.230 1.300 3.545 1.00 0.00 O ATOM 1047 CB ILE A 71 5.612 -1.172 1.224 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.403 -2.036 0.867 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.502 -1.836 2.277 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.810 -3.501 0.686 1.00 0.00 C ATOM 0 H ILE A 71 6.566 0.892 0.259 1.00 0.00 H new ATOM 0 HA ILE A 71 4.101 0.269 1.497 1.00 0.00 H new ATOM 0 HB ILE A 71 6.210 -1.066 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.651 -1.958 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.945 -1.666 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.798 -2.826 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.391 -1.227 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.951 -1.929 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.931 -4.094 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.544 -3.578 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.245 -3.875 1.613 1.00 0.00 H new ATOM 1061 N GLN A 72 4.623 -0.231 3.978 1.00 0.00 N ATOM 1062 CA GLN A 72 4.720 -0.088 5.420 1.00 0.00 C ATOM 1063 C GLN A 72 4.246 -1.367 6.114 1.00 0.00 C ATOM 1064 O GLN A 72 3.276 -1.344 6.870 1.00 0.00 O ATOM 1065 CB GLN A 72 3.926 1.126 5.907 1.00 0.00 C ATOM 1066 CG GLN A 72 4.742 2.411 5.753 1.00 0.00 C ATOM 1067 CD GLN A 72 4.196 3.518 6.658 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.793 3.891 7.654 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.031 4.020 6.257 1.00 0.00 N ATOM 0 H GLN A 72 3.930 -0.910 3.662 1.00 0.00 H new ATOM 0 HA GLN A 72 5.766 0.077 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.998 1.210 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.650 0.989 6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.785 2.215 6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.717 2.740 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.585 3.662 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.584 4.763 6.794 1.00 0.00 H new ATOM 1076 N PHE A 73 4.952 -2.452 5.831 1.00 0.00 N ATOM 1077 CA PHE A 73 4.614 -3.739 6.418 1.00 0.00 C ATOM 1078 C PHE A 73 4.144 -3.574 7.865 1.00 0.00 C ATOM 1079 O PHE A 73 4.539 -2.630 8.546 1.00 0.00 O ATOM 1080 CB PHE A 73 5.888 -4.585 6.400 1.00 0.00 C ATOM 1081 CG PHE A 73 6.154 -5.283 5.064 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.730 -4.595 4.042 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.813 -6.589 4.898 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.977 -5.241 2.802 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.060 -7.235 3.658 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.637 -6.547 2.637 1.00 0.00 C ATOM 0 H PHE A 73 5.756 -2.467 5.204 1.00 0.00 H new ATOM 0 HA PHE A 73 3.807 -4.207 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.739 -3.947 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.822 -5.338 7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.999 -3.557 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.354 -7.135 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.435 -4.695 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.790 -8.272 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.825 -7.038 1.694 1.00 0.00 H new ATOM 1095 N PRO A 74 3.287 -4.534 8.303 1.00 0.00 N ATOM 1096 CA PRO A 74 2.759 -4.505 9.656 1.00 0.00 C ATOM 1097 C PRO A 74 3.819 -4.945 10.668 1.00 0.00 C ATOM 1098 O PRO A 74 4.660 -5.790 10.364 1.00 0.00 O ATOM 1099 CB PRO A 74 1.550 -5.426 9.626 1.00 0.00 C ATOM 1100 CG PRO A 74 1.716 -6.294 8.389 1.00 0.00 C ATOM 1101 CD PRO A 74 2.797 -5.668 7.523 1.00 0.00 C ATOM 0 HA PRO A 74 2.473 -3.503 9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.502 -6.037 10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.624 -4.853 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.993 -7.310 8.670 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.777 -6.360 7.840 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.596 -6.378 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.397 -5.344 6.562 1.00 0.00 H new ATOM 1106 N LYS A 75 3.747 -4.349 11.848 1.00 0.00 N ATOM 1107 CA LYS A 75 4.691 -4.667 12.906 1.00 0.00 C ATOM 1108 C LYS A 75 6.083 -4.858 12.302 1.00 0.00 C ATOM 1109 O LYS A 75 6.617 -5.966 12.300 1.00 0.00 O ATOM 1110 CB LYS A 75 4.202 -5.871 13.716 1.00 0.00 C ATOM 1111 CG LYS A 75 5.240 -6.287 14.761 1.00 0.00 C ATOM 1112 CD LYS A 75 4.604 -7.155 15.849 1.00 0.00 C ATOM 1113 CE LYS A 75 5.575 -7.374 17.011 1.00 0.00 C ATOM 1114 NZ LYS A 75 4.835 -7.499 18.287 1.00 0.00 N ATOM 0 H LYS A 75 3.049 -3.647 12.096 1.00 0.00 H new ATOM 0 HA LYS A 75 4.761 -3.841 13.614 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.262 -5.624 14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.000 -6.707 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.048 -6.837 14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.684 -5.399 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.695 -6.678 16.215 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.312 -8.117 15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.164 -8.274 16.836 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.275 -6.541 17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.508 -7.647 19.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.292 -6.629 18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.184 -8.309 18.233 1.00 0.00 H new ATOM 1124 N LYS A 76 6.632 -3.759 11.803 1.00 0.00 N ATOM 1125 CA LYS A 76 7.951 -3.791 11.197 1.00 0.00 C ATOM 1126 C LYS A 76 9.012 -3.614 12.286 1.00 0.00 C ATOM 1127 O LYS A 76 9.708 -2.600 12.320 1.00 0.00 O ATOM 1128 CB LYS A 76 8.049 -2.761 10.070 1.00 0.00 C ATOM 1129 CG LYS A 76 8.125 -1.339 10.632 1.00 0.00 C ATOM 1130 CD LYS A 76 7.241 -0.383 9.829 1.00 0.00 C ATOM 1131 CE LYS A 76 7.269 1.024 10.427 1.00 0.00 C ATOM 1132 NZ LYS A 76 6.623 1.990 9.512 1.00 0.00 N ATOM 0 H LYS A 76 6.186 -2.842 11.807 1.00 0.00 H new ATOM 0 HA LYS A 76 8.131 -4.759 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.931 -2.964 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.183 -2.851 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.811 -1.340 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.157 -0.990 10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.583 -0.349 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.217 -0.755 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.756 1.027 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.300 1.325 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.651 2.940 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.129 2.000 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.634 1.710 9.354 1.00 0.00 H new ATOM 1142 N GLU A 77 9.103 -4.616 13.147 1.00 0.00 N ATOM 1143 CA GLU A 77 10.067 -4.584 14.234 1.00 0.00 C ATOM 1144 C GLU A 77 11.275 -5.461 13.897 1.00 0.00 C ATOM 1145 O GLU A 77 11.406 -6.569 14.417 1.00 0.00 O ATOM 1146 CB GLU A 77 9.423 -5.020 15.551 1.00 0.00 C ATOM 1147 CG GLU A 77 10.425 -4.937 16.705 1.00 0.00 C ATOM 1148 CD GLU A 77 9.716 -4.623 18.024 1.00 0.00 C ATOM 1149 OE1 GLU A 77 9.273 -5.595 18.675 1.00 0.00 O ATOM 1150 OE2 GLU A 77 9.634 -3.420 18.352 1.00 0.00 O ATOM 0 H GLU A 77 8.525 -5.456 13.114 1.00 0.00 H new ATOM 0 HA GLU A 77 10.411 -3.557 14.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.562 -4.387 15.766 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.053 -6.041 15.459 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.963 -5.881 16.793 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.166 -4.166 16.494 1.00 0.00 H new ATOM 1155 N ALA A 78 12.127 -4.933 13.032 1.00 0.00 N ATOM 1156 CA ALA A 78 13.320 -5.653 12.620 1.00 0.00 C ATOM 1157 C ALA A 78 14.286 -4.684 11.935 1.00 0.00 C ATOM 1158 O ALA A 78 13.896 -3.582 11.550 1.00 0.00 O ATOM 1159 CB ALA A 78 12.925 -6.820 11.713 1.00 0.00 C ATOM 0 H ALA A 78 12.015 -4.014 12.604 1.00 0.00 H new ATOM 0 HA ALA A 78 13.832 -6.072 13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.820 -7.360 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.263 -7.495 12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.410 -6.438 10.832 1.00 0.00 H new ATOM 1165 N LYS A 79 15.527 -5.128 11.805 1.00 0.00 N ATOM 1166 CA LYS A 79 16.551 -4.315 11.173 1.00 0.00 C ATOM 1167 C LYS A 79 17.254 -5.136 10.091 1.00 0.00 C ATOM 1168 O LYS A 79 17.826 -6.187 10.379 1.00 0.00 O ATOM 1169 CB LYS A 79 17.502 -3.740 12.224 1.00 0.00 C ATOM 1170 CG LYS A 79 16.897 -2.504 12.896 1.00 0.00 C ATOM 1171 CD LYS A 79 17.410 -2.352 14.328 1.00 0.00 C ATOM 1172 CE LYS A 79 17.569 -0.876 14.700 1.00 0.00 C ATOM 1173 NZ LYS A 79 16.351 -0.379 15.379 1.00 0.00 N ATOM 0 H LYS A 79 15.847 -6.041 12.127 1.00 0.00 H new ATOM 0 HA LYS A 79 16.102 -3.454 10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 79 17.719 -4.498 12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 79 18.450 -3.476 11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.147 -1.613 12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.810 -2.584 12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.717 -2.832 15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.368 -2.862 14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.433 -0.750 15.352 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.758 -0.287 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.475 0.624 15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.534 -0.481 14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.187 -0.930 16.246 1.00 0.00 H new ATOM 1183 N THR A 80 17.191 -4.626 8.870 1.00 0.00 N ATOM 1184 CA THR A 80 17.814 -5.300 7.744 1.00 0.00 C ATOM 1185 C THR A 80 18.636 -4.308 6.918 1.00 0.00 C ATOM 1186 O THR A 80 18.279 -3.135 6.815 1.00 0.00 O ATOM 1187 CB THR A 80 16.714 -5.994 6.940 1.00 0.00 C ATOM 1188 OG1 THR A 80 15.784 -4.954 6.651 1.00 0.00 O ATOM 1189 CG2 THR A 80 15.911 -6.987 7.783 1.00 0.00 C ATOM 0 H THR A 80 16.718 -3.753 8.636 1.00 0.00 H new ATOM 0 HA THR A 80 18.520 -6.060 8.079 1.00 0.00 H new ATOM 0 HB THR A 80 17.159 -6.513 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.038 -5.318 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 80 15.143 -7.452 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 80 16.578 -7.756 8.173 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.439 -6.461 8.613 1.00 0.00 H new ATOM 1197 N PRO A 81 19.749 -4.828 6.336 1.00 0.00 N ATOM 1198 CA PRO A 81 20.624 -4.002 5.522 1.00 0.00 C ATOM 1199 C PRO A 81 19.998 -3.721 4.154 1.00 0.00 C ATOM 1200 O PRO A 81 19.014 -4.355 3.776 1.00 0.00 O ATOM 1201 CB PRO A 81 21.926 -4.780 5.430 1.00 0.00 C ATOM 1202 CG PRO A 81 21.583 -6.214 5.801 1.00 0.00 C ATOM 1203 CD PRO A 81 20.202 -6.212 6.436 1.00 0.00 C ATOM 0 HA PRO A 81 20.794 -3.016 5.955 1.00 0.00 H new ATOM 0 HB2 PRO A 81 22.343 -4.726 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 81 22.675 -4.370 6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 81 21.596 -6.851 4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 81 22.322 -6.616 6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.525 -6.889 5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.243 -6.541 7.474 1.00 0.00 H new ATOM 1208 N SER A 82 20.594 -2.770 3.451 1.00 0.00 N ATOM 1209 CA SER A 82 20.106 -2.397 2.133 1.00 0.00 C ATOM 1210 C SER A 82 18.678 -1.859 2.237 1.00 0.00 C ATOM 1211 O SER A 82 17.858 -2.402 2.976 1.00 0.00 O ATOM 1212 CB SER A 82 20.158 -3.586 1.171 1.00 0.00 C ATOM 1213 OG SER A 82 21.258 -3.495 0.269 1.00 0.00 O ATOM 0 H SER A 82 21.410 -2.246 3.768 1.00 0.00 H new ATOM 0 HA SER A 82 20.753 -1.615 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.233 -4.511 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.228 -3.635 0.605 1.00 0.00 H new ATOM 0 HG SER A 82 21.257 -4.273 -0.327 1.00 0.00 H new ATOM 1218 N GLY A 83 18.423 -0.798 1.484 1.00 0.00 N ATOM 1219 CA GLY A 83 17.108 -0.182 1.482 1.00 0.00 C ATOM 1220 C GLY A 83 16.697 0.229 0.067 1.00 0.00 C ATOM 1221 O GLY A 83 17.040 -0.446 -0.903 1.00 0.00 O ATOM 0 H GLY A 83 19.105 -0.350 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 16.375 -0.879 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.111 0.693 2.132 1.00 0.00 H new ATOM 1225 N PRO A 84 15.949 1.363 -0.009 1.00 0.00 N ATOM 1226 CA PRO A 84 15.488 1.871 -1.290 1.00 0.00 C ATOM 1227 C PRO A 84 16.632 2.533 -2.060 1.00 0.00 C ATOM 1228 O PRO A 84 17.696 2.789 -1.500 1.00 0.00 O ATOM 1229 CB PRO A 84 14.364 2.836 -0.948 1.00 0.00 C ATOM 1230 CG PRO A 84 14.547 3.185 0.520 1.00 0.00 C ATOM 1231 CD PRO A 84 15.524 2.187 1.118 1.00 0.00 C ATOM 0 HA PRO A 84 15.130 1.083 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.413 3.729 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.390 2.379 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.927 4.201 0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.592 3.145 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 84 16.372 2.692 1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.050 1.584 1.893 1.00 0.00 H new ATOM 1236 N SER A 85 16.373 2.791 -3.334 1.00 0.00 N ATOM 1237 CA SER A 85 17.368 3.418 -4.188 1.00 0.00 C ATOM 1238 C SER A 85 18.601 2.520 -4.302 1.00 0.00 C ATOM 1239 O SER A 85 19.533 2.636 -3.506 1.00 0.00 O ATOM 1240 CB SER A 85 17.762 4.796 -3.653 1.00 0.00 C ATOM 1241 OG SER A 85 16.631 5.645 -3.479 1.00 0.00 O ATOM 0 H SER A 85 15.489 2.577 -3.795 1.00 0.00 H new ATOM 0 HA SER A 85 16.933 3.553 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.279 4.681 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.465 5.265 -4.342 1.00 0.00 H new ATOM 0 HG SER A 85 16.924 6.514 -3.135 1.00 0.00 H new ATOM 1246 N SER A 86 18.567 1.645 -5.295 1.00 0.00 N ATOM 1247 CA SER A 86 19.670 0.728 -5.523 1.00 0.00 C ATOM 1248 C SER A 86 19.698 0.296 -6.990 1.00 0.00 C ATOM 1249 O SER A 86 19.130 -0.736 -7.349 1.00 0.00 O ATOM 1250 CB SER A 86 19.566 -0.496 -4.611 1.00 0.00 C ATOM 1251 OG SER A 86 18.264 -1.077 -4.644 1.00 0.00 O ATOM 0 H SER A 86 17.792 1.551 -5.952 1.00 0.00 H new ATOM 0 HA SER A 86 20.599 1.246 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.303 -1.239 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.809 -0.208 -3.588 1.00 0.00 H new ATOM 0 HG SER A 86 17.990 -1.213 -5.575 1.00 0.00 H new ATOM 1256 N GLY A 87 20.363 1.106 -7.801 1.00 0.00 N ATOM 1257 CA GLY A 87 20.472 0.821 -9.221 1.00 0.00 C ATOM 1258 C GLY A 87 19.659 1.821 -10.045 1.00 0.00 C ATOM 1259 O GLY A 87 19.271 1.530 -11.175 1.00 0.00 O ATOM 0 H GLY A 87 20.832 1.961 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.518 0.860 -9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.120 -0.191 -9.420 1.00 0.00 H new TER 1263 GLY A 87