USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.754 K(o=-0.75,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0463 (180deg=-0.517) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0577 (180deg=-0.546) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.664! (180deg=-1.42!) USER MOD Single : A 24 ASN : amide:sc= -0.0464 K(o=-0.046,f=-1.1!) USER MOD Single : A 28 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-4.6!) USER MOD Single : A 30 HIS : no HE2:sc= 0.411 K(o=0.41,f=-2.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0517 (180deg=-0.513) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.734) USER MOD Single : A 48 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.31) USER MOD Single : A 50 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.78) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.136 14.000 71.554 1.00 0.00 N ATOM 2 CA GLY A 1 2.657 14.217 70.158 1.00 0.00 C ATOM 3 C GLY A 1 1.546 13.221 69.841 1.00 0.00 C ATOM 4 O GLY A 1 1.812 12.087 69.446 1.00 0.00 O ATOM 0 H1 GLY A 1 3.894 14.679 71.771 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.347 14.138 72.217 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.502 13.031 71.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.290 15.237 70.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.482 14.094 69.456 1.00 0.00 H new ATOM 10 N SER A 2 0.302 13.655 70.018 1.00 0.00 N ATOM 11 CA SER A 2 -0.845 12.792 69.749 1.00 0.00 C ATOM 12 C SER A 2 -2.087 13.627 69.450 1.00 0.00 C ATOM 13 O SER A 2 -2.132 14.821 69.751 1.00 0.00 O ATOM 14 CB SER A 2 -1.114 11.890 70.952 1.00 0.00 C ATOM 15 OG SER A 2 -1.537 12.688 72.052 1.00 0.00 O ATOM 0 H SER A 2 0.062 14.591 70.344 1.00 0.00 H new ATOM 0 HA SER A 2 -0.616 12.178 68.878 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.880 11.154 70.706 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.213 11.336 71.215 1.00 0.00 H new ATOM 0 HG SER A 2 -1.712 12.112 72.825 1.00 0.00 H new ATOM 21 N ALA A 3 -3.093 12.992 68.859 1.00 0.00 N ATOM 22 CA ALA A 3 -4.334 13.681 68.525 1.00 0.00 C ATOM 23 C ALA A 3 -4.080 14.796 67.512 1.00 0.00 C ATOM 24 O ALA A 3 -4.791 15.800 67.493 1.00 0.00 O ATOM 25 CB ALA A 3 -4.961 14.273 69.792 1.00 0.00 C ATOM 0 H ALA A 3 -3.074 12.005 68.602 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.018 12.957 68.083 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.887 14.786 69.534 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.175 13.473 70.500 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.267 14.982 70.244 1.00 0.00 H new ATOM 31 N GLY A 4 -3.068 14.612 66.669 1.00 0.00 N ATOM 32 CA GLY A 4 -2.742 15.610 65.656 1.00 0.00 C ATOM 33 C GLY A 4 -2.026 16.807 66.272 1.00 0.00 C ATOM 34 O GLY A 4 -1.963 17.879 65.670 1.00 0.00 O ATOM 0 H GLY A 4 -2.465 13.789 66.667 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.111 15.161 64.889 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.655 15.943 65.163 1.00 0.00 H new ATOM 38 N LEU A 5 -1.488 16.622 67.473 1.00 0.00 N ATOM 39 CA LEU A 5 -0.780 17.700 68.154 1.00 0.00 C ATOM 40 C LEU A 5 0.418 18.151 67.327 1.00 0.00 C ATOM 41 O LEU A 5 0.656 19.348 67.165 1.00 0.00 O ATOM 42 CB LEU A 5 -0.318 17.224 69.539 1.00 0.00 C ATOM 43 CG LEU A 5 0.444 18.342 70.270 1.00 0.00 C ATOM 44 CD1 LEU A 5 -0.462 19.569 70.460 1.00 0.00 C ATOM 45 CD2 LEU A 5 0.893 17.818 71.639 1.00 0.00 C ATOM 0 H LEU A 5 -1.528 15.744 67.991 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.456 18.546 68.275 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.181 16.918 70.131 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.323 16.349 69.433 1.00 0.00 H new ATOM 0 HG LEU A 5 1.310 18.638 69.678 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.090 20.352 70.979 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.785 19.937 69.486 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.335 19.289 71.050 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.435 18.601 72.169 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.019 17.525 72.221 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.544 16.955 71.502 1.00 0.00 H new ATOM 57 N GLN A 6 1.168 17.188 66.802 1.00 0.00 N ATOM 58 CA GLN A 6 2.337 17.503 65.991 1.00 0.00 C ATOM 59 C GLN A 6 1.917 17.932 64.587 1.00 0.00 C ATOM 60 O GLN A 6 0.935 17.427 64.041 1.00 0.00 O ATOM 61 CB GLN A 6 3.254 16.282 65.899 1.00 0.00 C ATOM 62 CG GLN A 6 3.914 16.030 67.257 1.00 0.00 C ATOM 63 CD GLN A 6 4.664 14.702 67.232 1.00 0.00 C ATOM 64 OE1 GLN A 6 4.284 13.788 66.502 1.00 0.00 O ATOM 65 NE2 GLN A 6 5.712 14.541 67.994 1.00 0.00 N ATOM 0 H GLN A 6 0.989 16.191 66.922 1.00 0.00 H new ATOM 0 HA GLN A 6 2.873 18.325 66.465 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.681 15.407 65.594 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.017 16.444 65.137 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.602 16.842 67.493 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.157 16.016 68.042 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.025 15.301 68.598 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.218 13.655 67.985 1.00 0.00 H new ATOM 74 N GLU A 7 2.666 18.867 64.011 1.00 0.00 N ATOM 75 CA GLU A 7 2.363 19.355 62.671 1.00 0.00 C ATOM 76 C GLU A 7 2.548 18.253 61.630 1.00 0.00 C ATOM 77 O GLU A 7 2.009 18.330 60.527 1.00 0.00 O ATOM 78 CB GLU A 7 3.245 20.569 62.333 1.00 0.00 C ATOM 79 CG GLU A 7 4.745 20.193 62.363 1.00 0.00 C ATOM 80 CD GLU A 7 5.322 20.394 63.765 1.00 0.00 C ATOM 81 OE1 GLU A 7 4.546 20.429 64.706 1.00 0.00 O ATOM 82 OE2 GLU A 7 6.531 20.510 63.875 1.00 0.00 O1- ATOM 0 H GLU A 7 3.481 19.299 64.447 1.00 0.00 H new ATOM 0 HA GLU A 7 1.318 19.664 62.650 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.982 20.950 61.346 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.054 21.371 63.046 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.871 19.154 62.057 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.293 20.805 61.647 1.00 0.00 H new ATOM 89 N LYS A 8 3.314 17.228 61.991 1.00 0.00 N ATOM 90 CA LYS A 8 3.562 16.115 61.081 1.00 0.00 C ATOM 91 C LYS A 8 2.327 15.223 60.980 1.00 0.00 C ATOM 92 O LYS A 8 1.622 15.010 61.966 1.00 0.00 O ATOM 93 CB LYS A 8 4.756 15.289 61.567 1.00 0.00 C ATOM 94 CG LYS A 8 6.045 16.103 61.418 1.00 0.00 C ATOM 95 CD LYS A 8 7.235 15.267 61.894 1.00 0.00 C ATOM 96 CE LYS A 8 8.529 16.057 61.693 1.00 0.00 C ATOM 97 NZ LYS A 8 8.492 17.289 62.531 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.770 17.145 62.899 1.00 0.00 H new ATOM 0 HA LYS A 8 3.786 16.522 60.095 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.613 15.005 62.610 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.829 14.366 60.992 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.185 16.395 60.377 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.977 17.022 62.000 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.114 15.009 62.946 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.279 14.330 61.339 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.388 15.444 61.966 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.647 16.322 60.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.458 17.654 62.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.907 18.010 62.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.085 17.064 63.461 1.00 0.00 H new ATOM 111 N GLU A 9 2.070 14.704 59.778 1.00 0.00 N ATOM 112 CA GLU A 9 0.911 13.834 59.550 1.00 0.00 C ATOM 113 C GLU A 9 1.287 12.668 58.631 1.00 0.00 C ATOM 114 O GLU A 9 2.463 12.466 58.326 1.00 0.00 O ATOM 115 CB GLU A 9 -0.230 14.636 58.919 1.00 0.00 C ATOM 116 CG GLU A 9 -0.794 15.621 59.945 1.00 0.00 C ATOM 117 CD GLU A 9 -1.835 16.520 59.287 1.00 0.00 C ATOM 118 OE1 GLU A 9 -1.930 16.490 58.070 1.00 0.00 O ATOM 119 OE2 GLU A 9 -2.520 17.226 60.007 1.00 0.00 O1- ATOM 0 H GLU A 9 2.644 14.869 58.951 1.00 0.00 H new ATOM 0 HA GLU A 9 0.586 13.435 60.511 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.132 15.175 58.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.016 13.962 58.577 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.244 15.076 60.775 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.011 16.227 60.361 1.00 0.00 H new ATOM 126 N ARG A 10 0.286 11.900 58.192 1.00 0.00 N ATOM 127 CA ARG A 10 0.530 10.762 57.314 1.00 0.00 C ATOM 128 C ARG A 10 1.122 11.217 55.983 1.00 0.00 C ATOM 129 O ARG A 10 1.985 10.546 55.415 1.00 0.00 O ATOM 130 CB ARG A 10 -0.777 10.010 57.059 1.00 0.00 C ATOM 131 CG ARG A 10 -1.225 9.312 58.346 1.00 0.00 C ATOM 132 CD ARG A 10 -2.623 8.724 58.149 1.00 0.00 C ATOM 133 NE ARG A 10 -3.603 9.793 57.990 1.00 0.00 N ATOM 134 CZ ARG A 10 -4.879 9.523 57.736 1.00 0.00 C ATOM 135 NH1 ARG A 10 -5.737 10.497 57.598 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 -5.275 8.285 57.625 1.00 0.00 N ATOM 0 H ARG A 10 -0.695 12.048 58.431 1.00 0.00 H new ATOM 0 HA ARG A 10 1.244 10.101 57.806 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.548 10.703 56.722 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.638 9.277 56.265 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.521 8.522 58.608 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.231 10.021 59.174 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.633 8.078 57.271 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.888 8.103 59.005 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.304 10.764 58.075 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.428 11.465 57.685 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.717 10.290 57.403 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.605 7.524 57.733 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.255 8.078 57.430 1.00 0.00 H new ATOM 150 N GLU A 11 0.643 12.350 55.483 1.00 0.00 N ATOM 151 CA GLU A 11 1.121 12.873 54.205 1.00 0.00 C ATOM 152 C GLU A 11 2.636 13.055 54.229 1.00 0.00 C ATOM 153 O GLU A 11 3.275 13.144 53.181 1.00 0.00 O ATOM 154 CB GLU A 11 0.442 14.214 53.887 1.00 0.00 C ATOM 155 CG GLU A 11 0.963 15.319 54.816 1.00 0.00 C ATOM 156 CD GLU A 11 0.146 16.591 54.615 1.00 0.00 C ATOM 157 OE1 GLU A 11 -0.767 16.563 53.806 1.00 0.00 O ATOM 158 OE2 GLU A 11 0.444 17.575 55.272 1.00 0.00 O1- ATOM 0 H GLU A 11 -0.070 12.921 55.937 1.00 0.00 H new ATOM 0 HA GLU A 11 0.867 12.152 53.428 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.631 14.486 52.849 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.638 14.116 53.999 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.898 14.994 55.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.015 15.515 54.609 1.00 0.00 H new ATOM 165 N LEU A 12 3.207 13.107 55.427 1.00 0.00 N ATOM 166 CA LEU A 12 4.649 13.276 55.564 1.00 0.00 C ATOM 167 C LEU A 12 5.380 12.112 54.900 1.00 0.00 C ATOM 168 O LEU A 12 6.355 12.312 54.177 1.00 0.00 O ATOM 169 CB LEU A 12 5.026 13.353 57.050 1.00 0.00 C ATOM 170 CG LEU A 12 6.546 13.511 57.215 1.00 0.00 C ATOM 171 CD1 LEU A 12 7.025 14.803 56.532 1.00 0.00 C ATOM 172 CD2 LEU A 12 6.878 13.567 58.711 1.00 0.00 C ATOM 0 H LEU A 12 2.700 13.035 56.309 1.00 0.00 H new ATOM 0 HA LEU A 12 4.945 14.203 55.073 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.515 14.195 57.517 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.691 12.452 57.563 1.00 0.00 H new ATOM 0 HG LEU A 12 7.051 12.664 56.751 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.103 14.902 56.657 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.785 14.764 55.470 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.527 15.660 56.985 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.954 13.679 58.841 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.367 14.416 59.165 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.549 12.646 59.192 1.00 0.00 H new ATOM 184 N GLU A 13 4.894 10.899 55.144 1.00 0.00 N ATOM 185 CA GLU A 13 5.508 9.711 54.558 1.00 0.00 C ATOM 186 C GLU A 13 5.394 9.747 53.038 1.00 0.00 C ATOM 187 O GLU A 13 6.326 9.369 52.326 1.00 0.00 O ATOM 188 CB GLU A 13 4.840 8.442 55.095 1.00 0.00 C ATOM 189 CG GLU A 13 5.237 8.221 56.559 1.00 0.00 C ATOM 190 CD GLU A 13 4.418 7.080 57.153 1.00 0.00 C ATOM 191 OE1 GLU A 13 3.442 6.692 56.533 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.780 6.610 58.220 1.00 0.00 O1- ATOM 0 H GLU A 13 4.085 10.713 55.737 1.00 0.00 H new ATOM 0 HA GLU A 13 6.562 9.701 54.835 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.757 8.528 55.012 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.138 7.582 54.495 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.300 7.990 56.626 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.073 9.134 57.131 1.00 0.00 H new ATOM 199 N ASP A 14 4.248 10.204 52.545 1.00 0.00 N ATOM 200 CA ASP A 14 4.024 10.284 51.105 1.00 0.00 C ATOM 201 C ASP A 14 5.034 11.228 50.460 1.00 0.00 C ATOM 202 O ASP A 14 5.541 10.960 49.372 1.00 0.00 O ATOM 203 CB ASP A 14 2.607 10.781 50.824 1.00 0.00 C ATOM 204 CG ASP A 14 1.594 9.697 51.177 1.00 0.00 C ATOM 205 OD1 ASP A 14 2.010 8.566 51.372 1.00 0.00 O ATOM 206 OD2 ASP A 14 0.418 10.012 51.247 1.00 0.00 O1- ATOM 0 H ASP A 14 3.465 10.523 53.116 1.00 0.00 H new ATOM 0 HA ASP A 14 4.149 9.288 50.680 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.406 11.681 51.406 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.510 11.053 49.773 1.00 0.00 H new ATOM 211 N LEU A 15 5.321 12.335 51.140 1.00 0.00 N ATOM 212 CA LEU A 15 6.272 13.310 50.622 1.00 0.00 C ATOM 213 C LEU A 15 7.650 12.674 50.465 1.00 0.00 C ATOM 214 O LEU A 15 8.320 12.865 49.450 1.00 0.00 O ATOM 215 CB LEU A 15 6.352 14.510 51.575 1.00 0.00 C ATOM 216 CG LEU A 15 7.361 15.550 51.059 1.00 0.00 C ATOM 217 CD1 LEU A 15 6.933 16.063 49.673 1.00 0.00 C ATOM 218 CD2 LEU A 15 7.414 16.720 52.047 1.00 0.00 C ATOM 0 H LEU A 15 4.912 12.577 52.043 1.00 0.00 H new ATOM 0 HA LEU A 15 5.933 13.650 49.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.368 14.969 51.673 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.647 14.172 52.569 1.00 0.00 H new ATOM 0 HG LEU A 15 8.345 15.090 50.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.655 16.799 49.318 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.892 15.228 48.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.949 16.526 49.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.127 17.464 51.692 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.426 17.173 52.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.727 16.356 53.026 1.00 0.00 H new ATOM 230 N LYS A 16 8.064 11.917 51.475 1.00 0.00 N ATOM 231 CA LYS A 16 9.363 11.256 51.439 1.00 0.00 C ATOM 232 C LYS A 16 9.425 10.260 50.285 1.00 0.00 C ATOM 233 O LYS A 16 10.449 10.137 49.613 1.00 0.00 O ATOM 234 CB LYS A 16 9.615 10.524 52.759 1.00 0.00 C ATOM 235 CG LYS A 16 9.831 11.549 53.876 1.00 0.00 C ATOM 236 CD LYS A 16 10.081 10.817 55.197 1.00 0.00 C ATOM 237 CE LYS A 16 10.275 11.841 56.317 1.00 0.00 C ATOM 238 NZ LYS A 16 11.484 12.664 56.035 1.00 0.00 N1+ ATOM 0 H LYS A 16 7.523 11.747 52.323 1.00 0.00 H new ATOM 0 HA LYS A 16 10.131 12.015 51.292 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.768 9.882 52.999 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.489 9.879 52.669 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.679 12.190 53.637 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.958 12.195 53.965 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.240 10.164 55.428 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.963 10.183 55.113 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.396 12.481 56.395 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.384 11.332 57.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.804 13.123 56.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.242 12.053 55.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.252 13.391 55.328 1.00 0.00 H new ATOM 252 N ASP A 17 8.323 9.551 50.062 1.00 0.00 N ATOM 253 CA ASP A 17 8.264 8.568 48.986 1.00 0.00 C ATOM 254 C ASP A 17 8.476 9.242 47.634 1.00 0.00 C ATOM 255 O ASP A 17 9.151 8.702 46.759 1.00 0.00 O ATOM 256 CB ASP A 17 6.909 7.860 48.999 1.00 0.00 C ATOM 257 CG ASP A 17 6.820 6.924 50.200 1.00 0.00 C ATOM 258 OD1 ASP A 17 7.848 6.673 50.807 1.00 0.00 O ATOM 259 OD2 ASP A 17 5.727 6.474 50.497 1.00 0.00 O1- ATOM 0 H ASP A 17 7.465 9.637 50.607 1.00 0.00 H new ATOM 0 HA ASP A 17 9.056 7.836 49.143 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.106 8.596 49.041 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.776 7.295 48.077 1.00 0.00 H new ATOM 264 N ALA A 18 7.892 10.425 47.471 1.00 0.00 N ATOM 265 CA ALA A 18 8.025 11.164 46.220 1.00 0.00 C ATOM 266 C ALA A 18 9.486 11.499 45.949 1.00 0.00 C ATOM 267 O ALA A 18 9.952 11.420 44.812 1.00 0.00 O ATOM 268 CB ALA A 18 7.206 12.455 46.287 1.00 0.00 C ATOM 0 H ALA A 18 7.327 10.889 48.182 1.00 0.00 H new ATOM 0 HA ALA A 18 7.652 10.539 45.409 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.310 13.001 45.349 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.156 12.212 46.450 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.567 13.073 47.109 1.00 0.00 H new ATOM 274 N GLU A 19 10.208 11.872 47.002 1.00 0.00 N ATOM 275 CA GLU A 19 11.618 12.216 46.868 1.00 0.00 C ATOM 276 C GLU A 19 12.419 11.009 46.389 1.00 0.00 C ATOM 277 O GLU A 19 13.325 11.140 45.567 1.00 0.00 O ATOM 278 CB GLU A 19 12.169 12.699 48.209 1.00 0.00 C ATOM 279 CG GLU A 19 11.572 14.066 48.546 1.00 0.00 C ATOM 280 CD GLU A 19 11.976 14.480 49.956 1.00 0.00 C ATOM 281 OE1 GLU A 19 12.484 13.636 50.677 1.00 0.00 O ATOM 282 OE2 GLU A 19 11.770 15.633 50.296 1.00 0.00 O1- ATOM 0 H GLU A 19 9.842 11.943 47.951 1.00 0.00 H new ATOM 0 HA GLU A 19 11.710 13.015 46.132 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.926 11.982 48.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.256 12.767 48.164 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.917 14.809 47.827 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.486 14.027 48.467 1.00 0.00 H new ATOM 289 N LEU A 20 12.079 9.836 46.911 1.00 0.00 N ATOM 290 CA LEU A 20 12.774 8.611 46.532 1.00 0.00 C ATOM 291 C LEU A 20 12.609 8.353 45.036 1.00 0.00 C ATOM 292 O LEU A 20 13.569 8.006 44.347 1.00 0.00 O ATOM 293 CB LEU A 20 12.215 7.428 47.335 1.00 0.00 C ATOM 294 CG LEU A 20 12.922 6.122 46.942 1.00 0.00 C ATOM 295 CD1 LEU A 20 14.431 6.226 47.227 1.00 0.00 C ATOM 296 CD2 LEU A 20 12.325 4.972 47.759 1.00 0.00 C ATOM 0 H LEU A 20 11.332 9.707 47.593 1.00 0.00 H new ATOM 0 HA LEU A 20 13.836 8.723 46.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.346 7.612 48.401 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.144 7.335 47.157 1.00 0.00 H new ATOM 0 HG LEU A 20 12.779 5.939 45.877 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.920 5.294 46.944 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.855 7.048 46.650 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.589 6.410 48.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.819 4.039 47.489 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.472 5.166 48.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.258 4.892 47.549 1.00 0.00 H new ATOM 308 N LYS A 21 11.387 8.524 44.543 1.00 0.00 N ATOM 309 CA LYS A 21 11.108 8.306 43.128 1.00 0.00 C ATOM 310 C LYS A 21 11.941 9.255 42.272 1.00 0.00 C ATOM 311 O LYS A 21 12.515 8.851 41.260 1.00 0.00 O ATOM 312 CB LYS A 21 9.618 8.528 42.854 1.00 0.00 C ATOM 313 CG LYS A 21 9.313 8.258 41.377 1.00 0.00 C ATOM 314 CD LYS A 21 7.813 8.431 41.128 1.00 0.00 C ATOM 315 CE LYS A 21 7.501 8.137 39.660 1.00 0.00 C ATOM 316 NZ LYS A 21 8.193 9.134 38.796 1.00 0.00 N1+ ATOM 0 H LYS A 21 10.580 8.811 45.097 1.00 0.00 H new ATOM 0 HA LYS A 21 11.372 7.280 42.871 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.021 7.868 43.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.341 9.550 43.111 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.879 8.943 40.746 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.623 7.248 41.109 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.247 7.759 41.773 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.507 9.446 41.379 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.826 7.129 39.403 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.425 8.178 39.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.779 9.113 37.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.078 10.084 39.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.205 8.901 38.740 1.00 0.00 H new ATOM 330 N ARG A 22 12.002 10.517 42.684 1.00 0.00 N ATOM 331 CA ARG A 22 12.768 11.514 41.945 1.00 0.00 C ATOM 332 C ARG A 22 14.242 11.126 41.890 1.00 0.00 C ATOM 333 O ARG A 22 14.881 11.223 40.842 1.00 0.00 O ATOM 334 CB ARG A 22 12.622 12.884 42.615 1.00 0.00 C ATOM 335 CG ARG A 22 13.398 13.933 41.813 1.00 0.00 C ATOM 336 CD ARG A 22 13.119 15.323 42.388 1.00 0.00 C ATOM 337 NE ARG A 22 11.726 15.691 42.167 1.00 0.00 N ATOM 338 CZ ARG A 22 11.231 16.828 42.646 1.00 0.00 C ATOM 339 NH1 ARG A 22 9.981 17.136 42.435 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 11.997 17.637 43.327 1.00 0.00 N ATOM 0 H ARG A 22 11.535 10.872 43.518 1.00 0.00 H new ATOM 0 HA ARG A 22 12.380 11.563 40.927 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.569 13.161 42.673 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.998 12.842 43.637 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.466 13.719 41.852 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.103 13.896 40.764 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.340 15.334 43.455 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.775 16.056 41.919 1.00 0.00 H new ATOM 0 HE ARG A 22 11.121 15.065 41.636 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.383 16.504 41.902 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.602 18.008 42.803 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.975 17.396 43.491 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.618 18.510 43.695 1.00 0.00 H new ATOM 354 N LEU A 23 14.776 10.686 43.025 1.00 0.00 N ATOM 355 CA LEU A 23 16.177 10.286 43.094 1.00 0.00 C ATOM 356 C LEU A 23 16.438 9.094 42.178 1.00 0.00 C ATOM 357 O LEU A 23 17.473 9.022 41.519 1.00 0.00 O ATOM 358 CB LEU A 23 16.546 9.911 44.534 1.00 0.00 C ATOM 359 CG LEU A 23 16.542 11.163 45.426 1.00 0.00 C ATOM 360 CD1 LEU A 23 16.682 10.731 46.889 1.00 0.00 C ATOM 361 CD2 LEU A 23 17.706 12.103 45.047 1.00 0.00 C ATOM 0 H LEU A 23 14.265 10.598 43.903 1.00 0.00 H new ATOM 0 HA LEU A 23 16.790 11.126 42.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.837 9.178 44.920 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.531 9.444 44.555 1.00 0.00 H new ATOM 0 HG LEU A 23 15.605 11.701 45.283 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.680 11.612 47.530 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.847 10.084 47.159 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.618 10.189 47.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 17.687 12.983 45.689 1.00 0.00 H new ATOM 0 HD22 LEU A 23 18.653 11.580 45.177 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.601 12.411 44.007 1.00 0.00 H new ATOM 373 N ASN A 24 15.491 8.161 42.144 1.00 0.00 N ATOM 374 CA ASN A 24 15.627 6.975 41.305 1.00 0.00 C ATOM 375 C ASN A 24 15.719 7.362 39.831 1.00 0.00 C ATOM 376 O ASN A 24 16.494 6.778 39.073 1.00 0.00 O ATOM 377 CB ASN A 24 14.429 6.047 41.516 1.00 0.00 C ATOM 378 CG ASN A 24 14.687 4.702 40.846 1.00 0.00 C ATOM 379 OD1 ASN A 24 15.824 4.230 40.815 1.00 0.00 O ATOM 380 ND2 ASN A 24 13.694 4.053 40.302 1.00 0.00 N ATOM 0 H ASN A 24 14.627 8.202 42.684 1.00 0.00 H new ATOM 0 HA ASN A 24 16.544 6.458 41.589 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.253 5.904 42.582 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.529 6.502 41.103 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.859 3.153 39.850 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.753 4.445 40.329 1.00 0.00 H new ATOM 387 N GLU A 25 14.919 8.346 39.433 1.00 0.00 N ATOM 388 CA GLU A 25 14.911 8.801 38.047 1.00 0.00 C ATOM 389 C GLU A 25 16.274 9.360 37.649 1.00 0.00 C ATOM 390 O GLU A 25 16.735 9.152 36.527 1.00 0.00 O ATOM 391 CB GLU A 25 13.843 9.879 37.859 1.00 0.00 C ATOM 392 CG GLU A 25 12.453 9.247 37.960 1.00 0.00 C ATOM 393 CD GLU A 25 11.383 10.334 37.949 1.00 0.00 C ATOM 394 OE1 GLU A 25 11.740 11.491 38.100 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.224 9.993 37.788 1.00 0.00 O1- ATOM 0 H GLU A 25 14.272 8.841 40.046 1.00 0.00 H new ATOM 0 HA GLU A 25 14.686 7.946 37.409 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.957 10.654 38.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.965 10.361 36.889 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.295 8.561 37.127 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.377 8.660 38.875 1.00 0.00 H new ATOM 402 N GLU A 26 16.907 10.077 38.571 1.00 0.00 N ATOM 403 CA GLU A 26 18.214 10.670 38.303 1.00 0.00 C ATOM 404 C GLU A 26 18.146 11.572 37.074 1.00 0.00 C ATOM 405 O GLU A 26 19.071 11.610 36.267 1.00 0.00 O ATOM 406 CB GLU A 26 19.258 9.574 38.072 1.00 0.00 C ATOM 407 CG GLU A 26 19.375 8.704 39.323 1.00 0.00 C ATOM 408 CD GLU A 26 20.429 7.622 39.109 1.00 0.00 C ATOM 409 OE1 GLU A 26 20.957 7.546 38.012 1.00 0.00 O ATOM 410 OE2 GLU A 26 20.693 6.886 40.047 1.00 0.00 O1- ATOM 0 H GLU A 26 16.540 10.261 39.505 1.00 0.00 H new ATOM 0 HA GLU A 26 18.503 11.265 39.169 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.974 8.962 37.216 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.224 10.022 37.837 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.644 9.320 40.181 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.412 8.246 39.549 1.00 0.00 H new ATOM 417 N ARG A 27 17.040 12.295 36.941 1.00 0.00 N ATOM 418 CA ARG A 27 16.858 13.192 35.806 1.00 0.00 C ATOM 419 C ARG A 27 17.923 14.289 35.806 1.00 0.00 C ATOM 420 O ARG A 27 18.475 14.629 34.760 1.00 0.00 O ATOM 421 CB ARG A 27 15.465 13.825 35.865 1.00 0.00 C ATOM 422 CG ARG A 27 15.251 14.725 34.642 1.00 0.00 C ATOM 423 CD ARG A 27 13.827 15.281 34.663 1.00 0.00 C ATOM 424 NE ARG A 27 13.614 16.162 33.520 1.00 0.00 N ATOM 425 CZ ARG A 27 12.438 16.747 33.314 1.00 0.00 C ATOM 426 NH1 ARG A 27 12.270 17.531 32.286 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 11.449 16.536 34.141 1.00 0.00 N ATOM 0 H ARG A 27 16.261 12.278 37.599 1.00 0.00 H new ATOM 0 HA ARG A 27 16.957 12.613 34.888 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.703 13.046 35.893 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.359 14.408 36.780 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.972 15.542 34.648 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.418 14.158 33.726 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.108 14.462 34.639 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.656 15.828 35.590 1.00 0.00 H new ATOM 0 HE ARG A 27 14.380 16.332 32.868 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.041 17.696 31.639 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.367 17.979 32.129 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.579 15.922 34.945 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.547 16.985 33.982 1.00 0.00 H new ATOM 441 N HIS A 28 18.192 14.849 36.982 1.00 0.00 N ATOM 442 CA HIS A 28 19.177 15.919 37.102 1.00 0.00 C ATOM 443 C HIS A 28 20.576 15.444 36.712 1.00 0.00 C ATOM 444 O HIS A 28 21.398 16.234 36.248 1.00 0.00 O ATOM 445 CB HIS A 28 19.195 16.445 38.541 1.00 0.00 C ATOM 446 CG HIS A 28 19.757 15.394 39.458 1.00 0.00 C ATOM 447 ND1 HIS A 28 19.003 14.317 39.899 1.00 0.00 N ATOM 448 CD2 HIS A 28 20.997 15.240 40.028 1.00 0.00 C ATOM 449 CE1 HIS A 28 19.787 13.570 40.695 1.00 0.00 C ATOM 450 NE2 HIS A 28 21.014 14.088 40.809 1.00 0.00 N ATOM 0 H HIS A 28 17.745 14.582 37.859 1.00 0.00 H new ATOM 0 HA HIS A 28 18.890 16.717 36.417 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.797 17.352 38.599 1.00 0.00 H new ATOM 0 HB3 HIS A 28 18.185 16.712 38.854 1.00 0.00 H new ATOM 0 HD2 HIS A 28 21.832 15.911 39.891 1.00 0.00 H new ATOM 0 HE1 HIS A 28 19.465 12.662 41.183 1.00 0.00 H new ATOM 0 HE2 HIS A 28 21.795 13.719 41.352 1.00 0.00 H new ATOM 458 N ASP A 29 20.848 14.156 36.902 1.00 0.00 N ATOM 459 CA ASP A 29 22.160 13.613 36.559 1.00 0.00 C ATOM 460 C ASP A 29 22.420 13.753 35.062 1.00 0.00 C ATOM 461 O ASP A 29 23.534 14.065 34.642 1.00 0.00 O ATOM 462 CB ASP A 29 22.248 12.141 36.959 1.00 0.00 C ATOM 463 CG ASP A 29 22.309 12.017 38.479 1.00 0.00 C ATOM 464 OD1 ASP A 29 22.534 13.024 39.126 1.00 0.00 O ATOM 465 OD2 ASP A 29 22.131 10.915 38.971 1.00 0.00 O1- ATOM 0 H ASP A 29 20.190 13.478 37.285 1.00 0.00 H new ATOM 0 HA ASP A 29 22.916 14.177 37.105 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.383 11.599 36.576 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.133 11.686 36.513 1.00 0.00 H new ATOM 470 N HIS A 30 21.384 13.520 34.264 1.00 0.00 N ATOM 471 CA HIS A 30 21.507 13.621 32.816 1.00 0.00 C ATOM 472 C HIS A 30 21.841 15.051 32.403 1.00 0.00 C ATOM 473 O HIS A 30 22.643 15.275 31.497 1.00 0.00 O ATOM 474 CB HIS A 30 20.200 13.189 32.148 1.00 0.00 C ATOM 475 CG HIS A 30 20.033 11.699 32.280 1.00 0.00 C ATOM 476 ND1 HIS A 30 19.563 11.107 33.442 1.00 0.00 N ATOM 477 CD2 HIS A 30 20.272 10.669 31.405 1.00 0.00 C ATOM 478 CE1 HIS A 30 19.532 9.777 33.236 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.955 9.456 32.010 1.00 0.00 N ATOM 0 H HIS A 30 20.454 13.261 34.594 1.00 0.00 H new ATOM 0 HA HIS A 30 22.315 12.964 32.494 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.357 13.702 32.611 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.207 13.472 31.095 1.00 0.00 H new ATOM 0 HD1 HIS A 30 19.290 11.591 34.297 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.649 10.782 30.399 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.205 9.057 33.972 1.00 0.00 H new ATOM 487 N ASP A 31 21.220 16.014 33.075 1.00 0.00 N ATOM 488 CA ASP A 31 21.457 17.420 32.768 1.00 0.00 C ATOM 489 C ASP A 31 22.923 17.779 32.989 1.00 0.00 C ATOM 490 O ASP A 31 23.532 18.467 32.169 1.00 0.00 O ATOM 491 CB ASP A 31 20.575 18.303 33.654 1.00 0.00 C ATOM 492 CG ASP A 31 20.760 19.770 33.277 1.00 0.00 C ATOM 493 OD1 ASP A 31 21.642 20.049 32.480 1.00 0.00 O ATOM 494 OD2 ASP A 31 20.020 20.591 33.792 1.00 0.00 O1- ATOM 0 H ASP A 31 20.554 15.849 33.830 1.00 0.00 H new ATOM 0 HA ASP A 31 21.208 17.590 31.721 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.529 18.018 33.539 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.833 18.153 34.702 1.00 0.00 H new ATOM 499 N LYS A 32 23.486 17.303 34.094 1.00 0.00 N ATOM 500 CA LYS A 32 24.886 17.578 34.402 1.00 0.00 C ATOM 501 C LYS A 32 25.798 16.967 33.344 1.00 0.00 C ATOM 502 O LYS A 32 26.791 17.572 32.940 1.00 0.00 O ATOM 503 CB LYS A 32 25.254 17.023 35.783 1.00 0.00 C ATOM 504 CG LYS A 32 24.581 17.856 36.879 1.00 0.00 C ATOM 505 CD LYS A 32 24.957 17.291 38.252 1.00 0.00 C ATOM 506 CE LYS A 32 24.294 18.128 39.347 1.00 0.00 C ATOM 507 NZ LYS A 32 24.656 17.573 40.682 1.00 0.00 N1+ ATOM 0 H LYS A 32 23.001 16.731 34.785 1.00 0.00 H new ATOM 0 HA LYS A 32 25.023 18.659 34.407 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.940 15.982 35.861 1.00 0.00 H new ATOM 0 HB3 LYS A 32 26.336 17.040 35.914 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.895 18.897 36.804 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.499 17.839 36.751 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.637 16.252 38.330 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.040 17.301 38.377 1.00 0.00 H new ATOM 0 HE2 LYS A 32 24.618 19.166 39.273 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.211 18.122 39.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.206 18.141 41.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.326 16.589 40.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.689 17.601 40.801 1.00 0.00 H new ATOM 521 N ARG A 33 25.454 15.763 32.896 1.00 0.00 N ATOM 522 CA ARG A 33 26.250 15.081 31.883 1.00 0.00 C ATOM 523 C ARG A 33 26.287 15.898 30.596 1.00 0.00 C ATOM 524 O ARG A 33 27.340 16.048 29.974 1.00 0.00 O ATOM 525 CB ARG A 33 25.659 13.697 31.598 1.00 0.00 C ATOM 526 CG ARG A 33 26.525 12.972 30.564 1.00 0.00 C ATOM 527 CD ARG A 33 26.024 11.538 30.393 1.00 0.00 C ATOM 528 NE ARG A 33 24.669 11.538 29.855 1.00 0.00 N ATOM 529 CZ ARG A 33 23.966 10.413 29.762 1.00 0.00 C ATOM 530 NH1 ARG A 33 22.755 10.439 29.275 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 24.487 9.284 30.156 1.00 0.00 N ATOM 0 H ARG A 33 24.636 15.244 33.216 1.00 0.00 H new ATOM 0 HA ARG A 33 27.267 14.969 32.259 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.610 13.115 32.518 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.638 13.795 31.228 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.487 13.498 29.610 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.567 12.969 30.885 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.688 10.990 29.724 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.042 11.022 31.353 1.00 0.00 H new ATOM 0 HE ARG A 33 24.253 12.416 29.545 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.348 11.322 28.966 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.215 9.576 29.203 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.434 9.264 30.535 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.948 8.421 30.085 1.00 0.00 H new ATOM 545 N GLU A 34 25.131 16.423 30.201 1.00 0.00 N ATOM 546 CA GLU A 34 25.043 17.223 28.984 1.00 0.00 C ATOM 547 C GLU A 34 25.923 18.464 29.106 1.00 0.00 C ATOM 548 O GLU A 34 26.620 18.837 28.162 1.00 0.00 O ATOM 549 CB GLU A 34 23.585 17.634 28.740 1.00 0.00 C ATOM 550 CG GLU A 34 23.469 18.449 27.446 1.00 0.00 C ATOM 551 CD GLU A 34 23.889 17.600 26.250 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.867 16.387 26.372 1.00 0.00 O ATOM 553 OE2 GLU A 34 24.228 18.177 25.228 1.00 0.00 O1- ATOM 0 H GLU A 34 24.249 16.310 30.701 1.00 0.00 H new ATOM 0 HA GLU A 34 25.393 16.628 28.141 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.956 16.746 28.676 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.221 18.223 29.582 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.443 18.793 27.315 1.00 0.00 H new ATOM 0 HG3 GLU A 34 24.097 19.337 27.509 1.00 0.00 H new ATOM 560 N ALA A 35 25.886 19.097 30.273 1.00 0.00 N ATOM 561 CA ALA A 35 26.684 20.295 30.506 1.00 0.00 C ATOM 562 C ALA A 35 28.170 19.982 30.367 1.00 0.00 C ATOM 563 O ALA A 35 28.932 20.772 29.809 1.00 0.00 O ATOM 564 CB ALA A 35 26.405 20.847 31.905 1.00 0.00 C ATOM 0 H ALA A 35 25.317 18.804 31.067 1.00 0.00 H new ATOM 0 HA ALA A 35 26.409 21.042 29.761 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.006 21.742 32.070 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.348 21.098 31.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.662 20.095 32.651 1.00 0.00 H new ATOM 570 N GLU A 36 28.576 18.825 30.879 1.00 0.00 N ATOM 571 CA GLU A 36 29.974 18.415 30.805 1.00 0.00 C ATOM 572 C GLU A 36 30.407 18.272 29.350 1.00 0.00 C ATOM 573 O GLU A 36 31.502 18.692 28.973 1.00 0.00 O ATOM 574 CB GLU A 36 30.168 17.084 31.537 1.00 0.00 C ATOM 575 CG GLU A 36 31.646 16.688 31.511 1.00 0.00 C ATOM 576 CD GLU A 36 31.854 15.402 32.301 1.00 0.00 C ATOM 577 OE1 GLU A 36 30.878 14.884 32.820 1.00 0.00 O ATOM 578 OE2 GLU A 36 32.986 14.951 32.377 1.00 0.00 O1- ATOM 0 H GLU A 36 27.962 18.158 31.347 1.00 0.00 H new ATOM 0 HA GLU A 36 30.588 19.179 31.282 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.824 17.172 32.567 1.00 0.00 H new ATOM 0 HB3 GLU A 36 29.566 16.308 31.065 1.00 0.00 H new ATOM 0 HG2 GLU A 36 31.976 16.550 30.481 1.00 0.00 H new ATOM 0 HG3 GLU A 36 32.253 17.488 31.936 1.00 0.00 H new ATOM 585 N ARG A 37 29.542 17.678 28.536 1.00 0.00 N ATOM 586 CA ARG A 37 29.846 17.486 27.122 1.00 0.00 C ATOM 587 C ARG A 37 30.012 18.834 26.428 1.00 0.00 C ATOM 588 O ARG A 37 30.887 19.003 25.579 1.00 0.00 O ATOM 589 CB ARG A 37 28.714 16.702 26.444 1.00 0.00 C ATOM 590 CG ARG A 37 28.641 15.266 26.991 1.00 0.00 C ATOM 591 CD ARG A 37 29.693 14.376 26.316 1.00 0.00 C ATOM 592 NE ARG A 37 29.551 12.997 26.781 1.00 0.00 N ATOM 593 CZ ARG A 37 28.674 12.168 26.223 1.00 0.00 C ATOM 594 NH1 ARG A 37 28.569 10.942 26.656 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 27.919 12.580 25.241 1.00 0.00 N ATOM 0 H ARG A 37 28.631 17.323 28.827 1.00 0.00 H new ATOM 0 HA ARG A 37 30.777 16.925 27.041 1.00 0.00 H new ATOM 0 HB2 ARG A 37 27.764 17.209 26.611 1.00 0.00 H new ATOM 0 HB3 ARG A 37 28.877 16.678 25.366 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.801 15.273 28.069 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.646 14.856 26.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 29.576 14.418 25.233 1.00 0.00 H new ATOM 0 HD3 ARG A 37 30.693 14.744 26.543 1.00 0.00 H new ATOM 0 HE ARG A 37 30.136 12.665 27.548 1.00 0.00 H new ATOM 0 HH11 ARG A 37 29.160 10.620 27.423 1.00 0.00 H new ATOM 0 HH12 ARG A 37 27.896 10.306 26.228 1.00 0.00 H new ATOM 0 HH21 ARG A 37 28.002 13.538 24.901 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.246 11.944 24.813 1.00 0.00 H new ATOM 609 N LYS A 38 29.167 19.791 26.797 1.00 0.00 N ATOM 610 CA LYS A 38 29.228 21.122 26.205 1.00 0.00 C ATOM 611 C LYS A 38 30.583 21.763 26.490 1.00 0.00 C ATOM 612 O LYS A 38 31.191 22.371 25.609 1.00 0.00 O ATOM 613 CB LYS A 38 28.105 21.995 26.775 1.00 0.00 C ATOM 614 CG LYS A 38 28.102 23.366 26.080 1.00 0.00 C ATOM 615 CD LYS A 38 27.042 24.283 26.708 1.00 0.00 C ATOM 616 CE LYS A 38 25.635 23.864 26.262 1.00 0.00 C ATOM 617 NZ LYS A 38 24.652 24.890 26.708 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.436 19.671 27.499 1.00 0.00 H new ATOM 0 HA LYS A 38 29.101 21.036 25.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 27.143 21.503 26.632 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.242 22.123 27.849 1.00 0.00 H new ATOM 0 HG2 LYS A 38 29.086 23.826 26.165 1.00 0.00 H new ATOM 0 HG3 LYS A 38 27.900 23.241 25.016 1.00 0.00 H new ATOM 0 HD2 LYS A 38 27.113 24.240 27.795 1.00 0.00 H new ATOM 0 HD3 LYS A 38 27.229 25.317 26.417 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.601 23.758 25.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.381 22.892 26.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.697 24.609 26.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.679 24.970 27.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.892 25.809 26.284 1.00 0.00 H new ATOM 631 N ALA A 39 31.049 21.621 27.726 1.00 0.00 N ATOM 632 CA ALA A 39 32.335 22.192 28.117 1.00 0.00 C ATOM 633 C ALA A 39 33.463 21.585 27.288 1.00 0.00 C ATOM 634 O ALA A 39 34.389 22.284 26.877 1.00 0.00 O ATOM 635 CB ALA A 39 32.593 21.930 29.602 1.00 0.00 C ATOM 0 H ALA A 39 30.562 21.120 28.469 1.00 0.00 H new ATOM 0 HA ALA A 39 32.304 23.267 27.938 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.554 22.359 29.886 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.802 22.388 30.195 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.607 20.856 29.785 1.00 0.00 H new ATOM 641 N LEU A 40 33.378 20.281 27.047 1.00 0.00 N ATOM 642 CA LEU A 40 34.398 19.592 26.265 1.00 0.00 C ATOM 643 C LEU A 40 34.464 20.170 24.855 1.00 0.00 C ATOM 644 O LEU A 40 35.548 20.418 24.326 1.00 0.00 O ATOM 645 CB LEU A 40 34.078 18.091 26.204 1.00 0.00 C ATOM 646 CG LEU A 40 35.132 17.344 25.374 1.00 0.00 C ATOM 647 CD1 LEU A 40 36.526 17.514 26.003 1.00 0.00 C ATOM 648 CD2 LEU A 40 34.764 15.856 25.333 1.00 0.00 C ATOM 0 H LEU A 40 32.620 19.684 27.379 1.00 0.00 H new ATOM 0 HA LEU A 40 35.367 19.733 26.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 34.045 17.680 27.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 33.091 17.942 25.766 1.00 0.00 H new ATOM 0 HG LEU A 40 35.154 17.753 24.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.263 16.979 25.404 1.00 0.00 H new ATOM 0 HD12 LEU A 40 36.784 18.573 26.035 1.00 0.00 H new ATOM 0 HD13 LEU A 40 36.520 17.111 27.016 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.505 15.314 24.746 1.00 0.00 H new ATOM 0 HD22 LEU A 40 34.743 15.458 26.348 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.782 15.737 24.876 1.00 0.00 H new ATOM 660 N GLU A 41 33.300 20.384 24.252 1.00 0.00 N ATOM 661 CA GLU A 41 33.237 20.933 22.903 1.00 0.00 C ATOM 662 C GLU A 41 33.828 22.341 22.872 1.00 0.00 C ATOM 663 O GLU A 41 34.524 22.710 21.927 1.00 0.00 O ATOM 664 CB GLU A 41 31.785 20.976 22.422 1.00 0.00 C ATOM 665 CG GLU A 41 31.266 19.551 22.232 1.00 0.00 C ATOM 666 CD GLU A 41 31.962 18.894 21.044 1.00 0.00 C ATOM 667 OE1 GLU A 41 32.539 19.615 20.247 1.00 0.00 O ATOM 668 OE2 GLU A 41 31.911 17.678 20.950 1.00 0.00 O1- ATOM 0 H GLU A 41 32.392 20.187 24.673 1.00 0.00 H new ATOM 0 HA GLU A 41 33.818 20.291 22.241 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.167 21.506 23.147 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.718 21.526 21.484 1.00 0.00 H new ATOM 0 HG2 GLU A 41 31.443 18.968 23.135 1.00 0.00 H new ATOM 0 HG3 GLU A 41 30.188 19.567 22.069 1.00 0.00 H new ATOM 675 N ASP A 42 33.544 23.118 23.911 1.00 0.00 N ATOM 676 CA ASP A 42 34.052 24.482 23.992 1.00 0.00 C ATOM 677 C ASP A 42 33.676 25.271 22.737 1.00 0.00 C ATOM 678 O ASP A 42 34.474 26.058 22.230 1.00 0.00 O ATOM 679 CB ASP A 42 35.575 24.459 24.141 1.00 0.00 C ATOM 680 CG ASP A 42 36.083 25.821 24.607 1.00 0.00 C ATOM 681 OD1 ASP A 42 35.281 26.600 25.094 1.00 0.00 O ATOM 682 OD2 ASP A 42 37.271 26.065 24.470 1.00 0.00 O1- ATOM 0 H ASP A 42 32.969 22.830 24.703 1.00 0.00 H new ATOM 0 HA ASP A 42 33.605 24.967 24.860 1.00 0.00 H new ATOM 0 HB2 ASP A 42 35.865 23.691 24.857 1.00 0.00 H new ATOM 0 HB3 ASP A 42 36.036 24.198 23.189 1.00 0.00 H new ATOM 687 N LYS A 43 32.458 25.057 22.240 1.00 0.00 N ATOM 688 CA LYS A 43 32.000 25.756 21.045 1.00 0.00 C ATOM 689 C LYS A 43 31.989 27.264 21.282 1.00 0.00 C ATOM 690 O LYS A 43 32.418 28.038 20.427 1.00 0.00 O ATOM 691 CB LYS A 43 30.593 25.278 20.671 1.00 0.00 C ATOM 692 CG LYS A 43 30.125 25.978 19.391 1.00 0.00 C ATOM 693 CD LYS A 43 28.743 25.454 19.000 1.00 0.00 C ATOM 694 CE LYS A 43 28.286 26.134 17.708 1.00 0.00 C ATOM 695 NZ LYS A 43 28.140 27.599 17.943 1.00 0.00 N1+ ATOM 0 H LYS A 43 31.779 24.412 22.643 1.00 0.00 H new ATOM 0 HA LYS A 43 32.685 25.536 20.226 1.00 0.00 H new ATOM 0 HB2 LYS A 43 30.594 24.198 20.525 1.00 0.00 H new ATOM 0 HB3 LYS A 43 29.900 25.489 21.485 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.086 27.056 19.547 1.00 0.00 H new ATOM 0 HG3 LYS A 43 30.836 25.798 18.584 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.778 24.373 18.862 1.00 0.00 H new ATOM 0 HD3 LYS A 43 28.028 25.650 19.799 1.00 0.00 H new ATOM 0 HE2 LYS A 43 29.010 25.953 16.913 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.337 25.711 17.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 27.526 28.009 17.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 27.717 27.760 18.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 29.075 28.052 17.904 1.00 0.00 H new ATOM 709 N LEU A 44 31.497 27.671 22.446 1.00 0.00 N ATOM 710 CA LEU A 44 31.433 29.090 22.783 1.00 0.00 C ATOM 711 C LEU A 44 32.835 29.686 22.839 1.00 0.00 C ATOM 712 O LEU A 44 33.059 30.813 22.395 1.00 0.00 O ATOM 713 CB LEU A 44 30.745 29.275 24.139 1.00 0.00 C ATOM 714 CG LEU A 44 29.255 28.914 24.033 1.00 0.00 C ATOM 715 CD1 LEU A 44 28.649 28.890 25.440 1.00 0.00 C ATOM 716 CD2 LEU A 44 28.507 29.947 23.163 1.00 0.00 C ATOM 0 H LEU A 44 31.139 27.045 23.168 1.00 0.00 H new ATOM 0 HA LEU A 44 30.859 29.604 22.012 1.00 0.00 H new ATOM 0 HB2 LEU A 44 31.226 28.646 24.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 30.854 30.307 24.472 1.00 0.00 H new ATOM 0 HG LEU A 44 29.156 27.934 23.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.591 28.635 25.376 1.00 0.00 H new ATOM 0 HD12 LEU A 44 29.166 28.146 26.046 1.00 0.00 H new ATOM 0 HD13 LEU A 44 28.758 29.872 25.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.454 29.675 23.100 1.00 0.00 H new ATOM 0 HD22 LEU A 44 28.600 30.936 23.612 1.00 0.00 H new ATOM 0 HD23 LEU A 44 28.939 29.961 22.162 1.00 0.00 H new ATOM 728 N ALA A 45 33.778 28.925 23.388 1.00 0.00 N ATOM 729 CA ALA A 45 35.155 29.393 23.496 1.00 0.00 C ATOM 730 C ALA A 45 35.214 30.726 24.235 1.00 0.00 C ATOM 731 O ALA A 45 36.094 31.548 23.981 1.00 0.00 O ATOM 732 CB ALA A 45 35.760 29.554 22.100 1.00 0.00 C ATOM 0 H ALA A 45 33.615 27.990 23.762 1.00 0.00 H new ATOM 0 HA ALA A 45 35.727 28.655 24.059 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.789 29.904 22.187 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.746 28.594 21.584 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.177 30.279 21.532 1.00 0.00 H new ATOM 738 N ASP A 46 34.269 30.936 25.152 1.00 0.00 N ATOM 739 CA ASP A 46 34.223 32.176 25.923 1.00 0.00 C ATOM 740 C ASP A 46 35.102 32.070 27.164 1.00 0.00 C ATOM 741 O ASP A 46 35.146 32.985 27.987 1.00 0.00 O ATOM 742 CB ASP A 46 32.781 32.472 26.342 1.00 0.00 C ATOM 743 CG ASP A 46 32.283 31.399 27.306 1.00 0.00 C ATOM 744 OD1 ASP A 46 33.053 30.506 27.618 1.00 0.00 O ATOM 745 OD2 ASP A 46 31.138 31.486 27.716 1.00 0.00 O1- ATOM 0 H ASP A 46 33.531 30.269 25.377 1.00 0.00 H new ATOM 0 HA ASP A 46 34.596 32.986 25.297 1.00 0.00 H new ATOM 0 HB2 ASP A 46 32.726 33.452 26.817 1.00 0.00 H new ATOM 0 HB3 ASP A 46 32.139 32.508 25.462 1.00 0.00 H new ATOM 750 N LYS A 47 35.804 30.949 27.293 1.00 0.00 N ATOM 751 CA LYS A 47 36.681 30.733 28.439 1.00 0.00 C ATOM 752 C LYS A 47 37.791 31.778 28.463 1.00 0.00 C ATOM 753 O LYS A 47 38.163 32.280 29.525 1.00 0.00 O ATOM 754 CB LYS A 47 37.299 29.332 28.368 1.00 0.00 C ATOM 755 CG LYS A 47 36.227 28.255 28.624 1.00 0.00 C ATOM 756 CD LYS A 47 36.021 28.050 30.131 1.00 0.00 C ATOM 757 CE LYS A 47 35.037 26.901 30.356 1.00 0.00 C ATOM 758 NZ LYS A 47 35.612 25.640 29.808 1.00 0.00 N1+ ATOM 0 H LYS A 47 35.784 30.180 26.623 1.00 0.00 H new ATOM 0 HA LYS A 47 36.089 30.823 29.350 1.00 0.00 H new ATOM 0 HB2 LYS A 47 37.752 29.177 27.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 38.096 29.242 29.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.287 28.552 28.159 1.00 0.00 H new ATOM 0 HG3 LYS A 47 36.529 27.316 28.161 1.00 0.00 H new ATOM 0 HD2 LYS A 47 36.973 27.828 30.613 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.640 28.965 30.585 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.832 26.787 31.420 1.00 0.00 H new ATOM 0 HE3 LYS A 47 34.087 27.121 29.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.170 24.824 30.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 35.430 25.591 28.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 36.638 25.623 29.978 1.00 0.00 H new ATOM 772 N GLN A 48 38.318 32.103 27.287 1.00 0.00 N ATOM 773 CA GLN A 48 39.386 33.091 27.185 1.00 0.00 C ATOM 774 C GLN A 48 38.849 34.488 27.479 1.00 0.00 C ATOM 775 O GLN A 48 37.824 34.896 26.934 1.00 0.00 O ATOM 776 CB GLN A 48 39.997 33.056 25.778 1.00 0.00 C ATOM 777 CG GLN A 48 41.218 33.980 25.708 1.00 0.00 C ATOM 778 CD GLN A 48 42.312 33.491 26.652 1.00 0.00 C ATOM 779 OE1 GLN A 48 42.748 32.343 26.557 1.00 0.00 O ATOM 780 NE2 GLN A 48 42.785 34.297 27.563 1.00 0.00 N ATOM 0 H GLN A 48 38.026 31.700 26.397 1.00 0.00 H new ATOM 0 HA GLN A 48 40.155 32.849 27.919 1.00 0.00 H new ATOM 0 HB2 GLN A 48 40.288 32.036 25.525 1.00 0.00 H new ATOM 0 HB3 GLN A 48 39.254 33.367 25.043 1.00 0.00 H new ATOM 0 HG2 GLN A 48 41.598 34.013 24.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 40.928 34.997 25.973 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.423 35.247 27.641 1.00 0.00 H new ATOM 0 HE22 GLN A 48 43.517 33.976 28.197 1.00 0.00 H new ATOM 789 N GLU A 49 39.551 35.219 28.344 1.00 0.00 N ATOM 790 CA GLU A 49 39.144 36.576 28.713 1.00 0.00 C ATOM 791 C GLU A 49 40.364 37.485 28.821 1.00 0.00 C ATOM 792 O GLU A 49 41.370 37.119 29.430 1.00 0.00 O ATOM 793 CB GLU A 49 38.401 36.549 30.052 1.00 0.00 C ATOM 794 CG GLU A 49 37.912 37.958 30.401 1.00 0.00 C ATOM 795 CD GLU A 49 37.112 37.924 31.700 1.00 0.00 C ATOM 796 OE1 GLU A 49 36.975 36.849 32.260 1.00 0.00 O ATOM 797 OE2 GLU A 49 36.649 38.974 32.114 1.00 0.00 O1- ATOM 0 H GLU A 49 40.403 34.896 28.802 1.00 0.00 H new ATOM 0 HA GLU A 49 38.482 36.965 27.939 1.00 0.00 H new ATOM 0 HB2 GLU A 49 37.555 35.864 29.995 1.00 0.00 H new ATOM 0 HB3 GLU A 49 39.060 36.178 30.837 1.00 0.00 H new ATOM 0 HG2 GLU A 49 38.762 38.632 30.505 1.00 0.00 H new ATOM 0 HG3 GLU A 49 37.293 38.348 29.593 1.00 0.00 H new ATOM 804 N HIS A 50 40.270 38.670 28.226 1.00 0.00 N ATOM 805 CA HIS A 50 41.374 39.626 28.260 1.00 0.00 C ATOM 806 C HIS A 50 40.860 41.049 28.054 1.00 0.00 C ATOM 807 O HIS A 50 39.752 41.251 27.556 1.00 0.00 O ATOM 808 CB HIS A 50 42.390 39.283 27.169 1.00 0.00 C ATOM 809 CG HIS A 50 41.734 39.396 25.820 1.00 0.00 C ATOM 810 ND1 HIS A 50 40.872 38.425 25.335 1.00 0.00 N ATOM 811 CD2 HIS A 50 41.806 40.356 24.841 1.00 0.00 C ATOM 812 CE1 HIS A 50 40.462 38.819 24.115 1.00 0.00 C ATOM 813 NE2 HIS A 50 41.002 39.989 23.765 1.00 0.00 N ATOM 0 H HIS A 50 39.446 38.991 27.717 1.00 0.00 H new ATOM 0 HA HIS A 50 41.854 39.566 29.237 1.00 0.00 H new ATOM 0 HB2 HIS A 50 43.244 39.957 27.228 1.00 0.00 H new ATOM 0 HB3 HIS A 50 42.771 38.272 27.317 1.00 0.00 H new ATOM 0 HD2 HIS A 50 42.396 41.259 24.897 1.00 0.00 H new ATOM 0 HE1 HIS A 50 39.779 38.257 23.495 1.00 0.00 H new ATOM 0 HE2 HIS A 50 40.857 40.503 22.896 1.00 0.00 H new ATOM 821 N LEU A 51 41.675 42.028 28.440 1.00 0.00 N ATOM 822 CA LEU A 51 41.300 43.435 28.298 1.00 0.00 C ATOM 823 C LEU A 51 39.822 43.641 28.631 1.00 0.00 C ATOM 824 O LEU A 51 39.311 43.069 29.594 1.00 0.00 O ATOM 825 CB LEU A 51 41.576 43.908 26.866 1.00 0.00 C ATOM 826 CG LEU A 51 43.045 43.660 26.504 1.00 0.00 C ATOM 827 CD1 LEU A 51 43.285 44.094 25.055 1.00 0.00 C ATOM 828 CD2 LEU A 51 43.965 44.464 27.442 1.00 0.00 C ATOM 0 H LEU A 51 42.596 41.875 28.852 1.00 0.00 H new ATOM 0 HA LEU A 51 41.898 44.020 28.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 40.927 43.379 26.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 41.345 44.969 26.774 1.00 0.00 H new ATOM 0 HG LEU A 51 43.269 42.599 26.615 1.00 0.00 H new ATOM 0 HD11 LEU A 51 44.328 43.920 24.791 1.00 0.00 H new ATOM 0 HD12 LEU A 51 42.642 43.517 24.391 1.00 0.00 H new ATOM 0 HD13 LEU A 51 43.056 45.155 24.950 1.00 0.00 H new ATOM 0 HD21 LEU A 51 45.006 44.280 27.176 1.00 0.00 H new ATOM 0 HD22 LEU A 51 43.747 45.527 27.342 1.00 0.00 H new ATOM 0 HD23 LEU A 51 43.794 44.154 28.473 1.00 0.00 H new ATOM 840 N ASP A 52 39.142 44.458 27.830 1.00 0.00 N ATOM 841 CA ASP A 52 37.722 44.730 28.048 1.00 0.00 C ATOM 842 C ASP A 52 37.033 45.060 26.727 1.00 0.00 C ATOM 843 O ASP A 52 36.107 45.871 26.685 1.00 0.00 O ATOM 844 CB ASP A 52 37.562 45.906 29.014 1.00 0.00 C ATOM 845 CG ASP A 52 36.104 46.037 29.441 1.00 0.00 C ATOM 846 OD1 ASP A 52 35.271 45.377 28.845 1.00 0.00 O ATOM 847 OD2 ASP A 52 35.843 46.796 30.361 1.00 0.00 O1- ATOM 0 H ASP A 52 39.548 44.941 27.028 1.00 0.00 H new ATOM 0 HA ASP A 52 37.260 43.840 28.475 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.194 45.756 29.890 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.893 46.828 28.536 1.00 0.00 H new ATOM 852 N GLY A 53 37.487 44.426 25.647 1.00 0.00 N ATOM 853 CA GLY A 53 36.902 44.665 24.332 1.00 0.00 C ATOM 854 C GLY A 53 37.477 45.929 23.701 1.00 0.00 C ATOM 855 O GLY A 53 37.078 46.326 22.607 1.00 0.00 O ATOM 0 H GLY A 53 38.251 43.750 25.657 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.094 43.810 23.683 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.820 44.759 24.423 1.00 0.00 H new ATOM 859 N ALA A 54 38.419 46.555 24.400 1.00 0.00 N ATOM 860 CA ALA A 54 39.043 47.776 23.899 1.00 0.00 C ATOM 861 C ALA A 54 39.763 47.508 22.581 1.00 0.00 C ATOM 862 O ALA A 54 39.719 48.326 21.662 1.00 0.00 O ATOM 863 CB ALA A 54 40.039 48.312 24.927 1.00 0.00 C ATOM 0 H ALA A 54 38.765 46.241 25.307 1.00 0.00 H new ATOM 0 HA ALA A 54 38.262 48.518 23.729 1.00 0.00 H new ATOM 0 HB1 ALA A 54 40.500 49.223 24.546 1.00 0.00 H new ATOM 0 HB2 ALA A 54 39.518 48.532 25.859 1.00 0.00 H new ATOM 0 HB3 ALA A 54 40.810 47.564 25.111 1.00 0.00 H new ATOM 869 N LEU A 55 40.426 46.359 22.498 1.00 0.00 N ATOM 870 CA LEU A 55 41.154 45.996 21.286 1.00 0.00 C ATOM 871 C LEU A 55 40.195 45.894 20.105 1.00 0.00 C ATOM 872 O LEU A 55 40.483 46.389 19.015 1.00 0.00 O ATOM 873 CB LEU A 55 41.874 44.656 21.499 1.00 0.00 C ATOM 874 CG LEU A 55 42.636 44.243 20.228 1.00 0.00 C ATOM 875 CD1 LEU A 55 43.689 45.305 19.872 1.00 0.00 C ATOM 876 CD2 LEU A 55 43.328 42.899 20.485 1.00 0.00 C ATOM 0 H LEU A 55 40.475 45.669 23.247 1.00 0.00 H new ATOM 0 HA LEU A 55 41.891 46.769 21.068 1.00 0.00 H new ATOM 0 HB2 LEU A 55 42.568 44.739 22.335 1.00 0.00 H new ATOM 0 HB3 LEU A 55 41.149 43.885 21.762 1.00 0.00 H new ATOM 0 HG LEU A 55 41.937 44.153 19.397 1.00 0.00 H new ATOM 0 HD11 LEU A 55 44.222 45.001 18.971 1.00 0.00 H new ATOM 0 HD12 LEU A 55 43.196 46.262 19.698 1.00 0.00 H new ATOM 0 HD13 LEU A 55 44.397 45.406 20.695 1.00 0.00 H new ATOM 0 HD21 LEU A 55 43.873 42.593 19.592 1.00 0.00 H new ATOM 0 HD22 LEU A 55 44.024 43.002 21.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 42.579 42.145 20.729 1.00 0.00 H new ATOM 888 N ARG A 56 39.054 45.249 20.328 1.00 0.00 N ATOM 889 CA ARG A 56 38.059 45.089 19.274 1.00 0.00 C ATOM 890 C ARG A 56 37.393 46.425 18.957 1.00 0.00 C ATOM 891 O ARG A 56 37.168 47.243 19.850 1.00 0.00 O ATOM 892 CB ARG A 56 36.998 44.076 19.706 1.00 0.00 C ATOM 893 CG ARG A 56 37.634 42.690 19.829 1.00 0.00 C ATOM 894 CD ARG A 56 36.605 41.703 20.379 1.00 0.00 C ATOM 895 NE ARG A 56 35.500 41.548 19.440 1.00 0.00 N ATOM 896 CZ ARG A 56 34.413 40.855 19.766 1.00 0.00 C ATOM 897 NH1 ARG A 56 33.439 40.731 18.907 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 34.320 40.303 20.944 1.00 0.00 N ATOM 0 H ARG A 56 38.797 44.832 21.222 1.00 0.00 H new ATOM 0 HA ARG A 56 38.562 44.726 18.378 1.00 0.00 H new ATOM 0 HB2 ARG A 56 36.563 44.374 20.660 1.00 0.00 H new ATOM 0 HB3 ARG A 56 36.186 44.052 18.979 1.00 0.00 H new ATOM 0 HG2 ARG A 56 37.991 42.354 18.855 1.00 0.00 H new ATOM 0 HG3 ARG A 56 38.501 42.733 20.489 1.00 0.00 H new ATOM 0 HD2 ARG A 56 37.077 40.737 20.558 1.00 0.00 H new ATOM 0 HD3 ARG A 56 36.229 42.057 21.339 1.00 0.00 H new ATOM 0 HE ARG A 56 35.562 41.979 18.517 1.00 0.00 H new ATOM 0 HH11 ARG A 56 33.512 41.165 17.987 1.00 0.00 H new ATOM 0 HH12 ARG A 56 32.604 40.200 19.155 1.00 0.00 H new ATOM 0 HH21 ARG A 56 35.081 40.403 21.616 1.00 0.00 H new ATOM 0 HH22 ARG A 56 33.486 39.771 21.194 1.00 0.00 H new ATOM 912 N TYR A 57 37.082 46.638 17.684 1.00 0.00 N ATOM 913 CA TYR A 57 36.440 47.878 17.262 1.00 0.00 C ATOM 914 C TYR A 57 35.070 48.023 17.916 1.00 0.00 C ATOM 915 O TYR A 57 34.708 49.139 18.247 1.00 0.00 O ATOM 916 CB TYR A 57 36.287 47.897 15.740 1.00 0.00 C ATOM 917 CG TYR A 57 35.454 46.715 15.303 1.00 0.00 C ATOM 918 CD1 TYR A 57 34.063 46.832 15.223 1.00 0.00 C ATOM 919 CD2 TYR A 57 36.075 45.503 14.980 1.00 0.00 C ATOM 920 CE1 TYR A 57 33.290 45.736 14.818 1.00 0.00 C ATOM 921 CE2 TYR A 57 35.304 44.407 14.575 1.00 0.00 C ATOM 922 CZ TYR A 57 33.911 44.524 14.494 1.00 0.00 C ATOM 923 OH TYR A 57 33.150 43.444 14.095 1.00 0.00 O ATOM 924 OXT TYR A 57 34.401 47.015 18.074 1.00 0.00 O ATOM 0 H TYR A 57 37.262 45.974 16.931 1.00 0.00 H new ATOM 0 HA TYR A 57 37.068 48.713 17.573 1.00 0.00 H new ATOM 0 HB2 TYR A 57 35.814 48.826 15.423 1.00 0.00 H new ATOM 0 HB3 TYR A 57 37.267 47.860 15.265 1.00 0.00 H new ATOM 0 HD1 TYR A 57 33.584 47.767 15.473 1.00 0.00 H new ATOM 0 HD2 TYR A 57 37.149 45.413 15.043 1.00 0.00 H new ATOM 0 HE1 TYR A 57 32.216 45.826 14.756 1.00 0.00 H new ATOM 0 HE2 TYR A 57 35.783 43.472 14.325 1.00 0.00 H new ATOM 0 HH TYR A 57 33.737 42.682 13.907 1.00 0.00 H new TER 934 TYR A 57