USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= -1.21 K(o=-7.6,f=-12!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -6.36! C(o=-7.6!,f=-7.8!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -0.393 (180deg=-1.64!) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0145 (180deg=-0.204) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= -0.0377 (180deg=-0.627) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.4!) USER MOD Single : A 33 THR OG1 : rot 129:sc= 0.0426 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.031) USER MOD Single : A 47 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.026 (180deg=-0.246) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 130:sc= -6.3! USER MOD Single : A 62 LYS NZ :NH3+ -106:sc= -0.675 (180deg=-1.98!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00944) USER MOD Single : A 83 SER OG : rot 91:sc= 1.2 USER MOD Single : A 84 HIS : no HD1:sc= -0.457 K(o=-0.46,f=-1.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -9.705 -3.286 8.230 1.00 0.00 N ATOM 21 CA LEU A 2 -10.751 -4.046 7.553 1.00 0.00 C ATOM 22 C LEU A 2 -10.153 -5.183 6.732 1.00 0.00 C ATOM 23 O LEU A 2 -8.940 -5.395 6.739 1.00 0.00 O ATOM 24 CB LEU A 2 -11.575 -3.125 6.649 1.00 0.00 C ATOM 25 CG LEU A 2 -12.483 -2.138 7.383 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.564 -0.821 6.628 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.871 -2.732 7.574 1.00 0.00 C ATOM 0 HA LEU A 2 -11.403 -4.476 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.893 -2.562 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.190 -3.741 5.993 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.054 -1.942 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.215 -0.132 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.567 -0.388 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.968 -0.997 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.504 -2.016 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.307 -2.958 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.797 -3.648 8.160 1.00 0.00 H new ATOM 39 N LYS A 3 -11.011 -5.911 6.024 1.00 0.00 N ATOM 40 CA LYS A 3 -10.572 -7.029 5.194 1.00 0.00 C ATOM 41 C LYS A 3 -9.464 -6.599 4.237 1.00 0.00 C ATOM 42 O LYS A 3 -9.394 -5.438 3.836 1.00 0.00 O ATOM 43 CB LYS A 3 -11.753 -7.590 4.401 1.00 0.00 C ATOM 44 CG LYS A 3 -11.562 -9.032 3.963 1.00 0.00 C ATOM 45 CD LYS A 3 -11.045 -9.116 2.535 1.00 0.00 C ATOM 46 CE LYS A 3 -12.070 -8.598 1.538 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.812 -9.708 0.877 1.00 0.00 N ATOM 0 H LYS A 3 -12.018 -5.746 6.008 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.177 -7.804 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.654 -7.520 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.915 -6.970 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.861 -9.528 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.509 -9.566 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.125 -8.538 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.796 -10.150 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.776 -7.944 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.568 -7.995 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.501 -9.313 0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.142 -10.318 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.312 -10.268 1.597 1.00 0.00 H new ATOM 61 N LEU A 4 -8.602 -7.542 3.877 1.00 0.00 N ATOM 62 CA LEU A 4 -7.497 -7.260 2.967 1.00 0.00 C ATOM 63 C LEU A 4 -7.648 -8.045 1.668 1.00 0.00 C ATOM 64 O LEU A 4 -7.979 -9.231 1.683 1.00 0.00 O ATOM 65 CB LEU A 4 -6.161 -7.599 3.628 1.00 0.00 C ATOM 66 CG LEU A 4 -4.929 -7.373 2.749 1.00 0.00 C ATOM 67 CD1 LEU A 4 -3.764 -6.857 3.581 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.545 -8.659 2.032 1.00 0.00 C ATOM 0 H LEU A 4 -8.646 -8.508 4.201 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.517 -6.196 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.058 -7.000 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.181 -8.644 3.938 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.174 -6.620 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.898 -6.703 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.041 -5.912 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.517 -7.586 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.667 -8.481 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.319 -9.432 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.373 -8.987 1.404 1.00 0.00 H new ATOM 80 N ASN A 5 -7.403 -7.377 0.546 1.00 0.00 N ATOM 81 CA ASN A 5 -7.510 -8.012 -0.762 1.00 0.00 C ATOM 82 C ASN A 5 -6.171 -7.979 -1.493 1.00 0.00 C ATOM 83 O ASN A 5 -5.204 -7.390 -1.011 1.00 0.00 O ATOM 84 CB ASN A 5 -8.583 -7.317 -1.603 1.00 0.00 C ATOM 85 CG ASN A 5 -9.390 -8.296 -2.432 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.579 -9.448 -2.044 1.00 0.00 O ATOM 87 ND2 ASN A 5 -9.873 -7.840 -3.582 1.00 0.00 N ATOM 0 H ASN A 5 -7.129 -6.395 0.516 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.795 -9.053 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.253 -6.762 -0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.110 -6.590 -2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.425 -8.453 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.692 -6.877 -3.865 1.00 0.00 H new ATOM 94 N LEU A 6 -6.122 -8.615 -2.659 1.00 0.00 N ATOM 95 CA LEU A 6 -4.902 -8.657 -3.456 1.00 0.00 C ATOM 96 C LEU A 6 -5.217 -8.548 -4.944 1.00 0.00 C ATOM 97 O LEU A 6 -5.837 -9.440 -5.523 1.00 0.00 O ATOM 98 CB LEU A 6 -4.131 -9.950 -3.179 1.00 0.00 C ATOM 99 CG LEU A 6 -3.331 -9.959 -1.876 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.074 -11.386 -1.419 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.019 -9.209 -2.054 1.00 0.00 C ATOM 0 H LEU A 6 -6.913 -9.108 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.284 -7.805 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.838 -10.780 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.448 -10.133 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.915 -9.453 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.503 -11.373 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.025 -11.892 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.509 -11.917 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.461 -9.224 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.429 -9.688 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.225 -8.177 -2.336 1.00 0.00 H new ATOM 113 N LYS A 7 -4.786 -7.451 -5.556 1.00 0.00 N ATOM 114 CA LYS A 7 -5.022 -7.224 -6.977 1.00 0.00 C ATOM 115 C LYS A 7 -3.821 -7.668 -7.805 1.00 0.00 C ATOM 116 O LYS A 7 -2.839 -8.179 -7.267 1.00 0.00 O ATOM 117 CB LYS A 7 -5.316 -5.745 -7.235 1.00 0.00 C ATOM 118 CG LYS A 7 -6.753 -5.349 -6.933 1.00 0.00 C ATOM 119 CD LYS A 7 -7.574 -5.202 -8.205 1.00 0.00 C ATOM 120 CE LYS A 7 -8.670 -6.252 -8.289 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.432 -6.361 -7.014 1.00 0.00 N ATOM 0 H LYS A 7 -4.271 -6.704 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.886 -7.817 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.645 -5.138 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.096 -5.516 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.210 -6.101 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.763 -4.409 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.019 -4.208 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.920 -5.288 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.353 -6.000 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.229 -7.219 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.433 -6.553 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.043 -7.138 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.353 -5.469 -6.485 1.00 0.00 H new ATOM 135 N LYS A 8 -3.906 -7.468 -9.117 1.00 0.00 N ATOM 136 CA LYS A 8 -2.826 -7.848 -10.019 1.00 0.00 C ATOM 137 C LYS A 8 -1.682 -6.842 -9.950 1.00 0.00 C ATOM 138 O LYS A 8 -0.517 -7.197 -10.138 1.00 0.00 O ATOM 139 CB LYS A 8 -3.346 -7.951 -11.454 1.00 0.00 C ATOM 140 CG LYS A 8 -4.538 -8.881 -11.605 1.00 0.00 C ATOM 141 CD LYS A 8 -5.845 -8.106 -11.664 1.00 0.00 C ATOM 142 CE LYS A 8 -6.922 -8.884 -12.401 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.651 -8.959 -13.863 1.00 0.00 N ATOM 0 H LYS A 8 -4.712 -7.045 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.449 -8.822 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.625 -6.957 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.540 -8.300 -12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.425 -9.475 -12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.565 -9.579 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.183 -7.884 -10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.680 -7.150 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.986 -9.892 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.890 -8.411 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.528 -9.199 -14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.300 -8.039 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.935 -9.691 -14.046 1.00 0.00 H new ATOM 157 N SER A 9 -2.020 -5.585 -9.683 1.00 0.00 N ATOM 158 CA SER A 9 -1.020 -4.527 -9.591 1.00 0.00 C ATOM 159 C SER A 9 -0.215 -4.649 -8.301 1.00 0.00 C ATOM 160 O SER A 9 0.962 -4.290 -8.256 1.00 0.00 O ATOM 161 CB SER A 9 -1.692 -3.154 -9.657 1.00 0.00 C ATOM 162 OG SER A 9 -0.897 -2.231 -10.382 1.00 0.00 O ATOM 0 H SER A 9 -2.979 -5.274 -9.526 1.00 0.00 H new ATOM 0 HA SER A 9 -0.338 -4.632 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.670 -3.247 -10.130 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.860 -2.779 -8.647 1.00 0.00 H new ATOM 0 HG SER A 9 -1.349 -1.362 -10.411 1.00 0.00 H new ATOM 168 N PHE A 10 -0.857 -5.157 -7.254 1.00 0.00 N ATOM 169 CA PHE A 10 -0.198 -5.326 -5.963 1.00 0.00 C ATOM 170 C PHE A 10 0.675 -6.577 -5.955 1.00 0.00 C ATOM 171 O PHE A 10 1.696 -6.630 -5.268 1.00 0.00 O ATOM 172 CB PHE A 10 -1.237 -5.407 -4.843 1.00 0.00 C ATOM 173 CG PHE A 10 -0.653 -5.238 -3.470 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.426 -3.973 -2.949 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.329 -6.342 -2.699 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.111 -3.815 -1.685 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.210 -6.191 -1.435 1.00 0.00 C ATOM 178 CZ PHE A 10 0.430 -4.926 -0.928 1.00 0.00 C ATOM 0 H PHE A 10 -1.831 -5.458 -7.274 1.00 0.00 H new ATOM 0 HA PHE A 10 0.441 -4.459 -5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.994 -4.639 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.744 -6.370 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.672 -3.101 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.500 -7.334 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.281 -2.824 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.458 -7.061 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.851 -4.805 0.059 1.00 0.00 H new ATOM 188 N GLN A 11 0.264 -7.583 -6.720 1.00 0.00 N ATOM 189 CA GLN A 11 1.007 -8.835 -6.802 1.00 0.00 C ATOM 190 C GLN A 11 2.427 -8.596 -7.308 1.00 0.00 C ATOM 191 O GLN A 11 3.390 -9.128 -6.759 1.00 0.00 O ATOM 192 CB GLN A 11 0.286 -9.822 -7.722 1.00 0.00 C ATOM 193 CG GLN A 11 -0.803 -10.620 -7.024 1.00 0.00 C ATOM 194 CD GLN A 11 -1.437 -11.656 -7.933 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.838 -12.691 -8.224 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.655 -11.382 -8.385 1.00 0.00 N ATOM 0 H GLN A 11 -0.580 -7.555 -7.292 1.00 0.00 H new ATOM 0 HA GLN A 11 1.065 -9.258 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.154 -9.274 -8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.016 -10.512 -8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.381 -11.117 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.573 -9.939 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.114 -10.511 -8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.131 -12.042 -8.999 1.00 0.00 H new ATOM 205 N LYS A 12 2.547 -7.792 -8.361 1.00 0.00 N ATOM 206 CA LYS A 12 3.849 -7.483 -8.942 1.00 0.00 C ATOM 207 C LYS A 12 4.552 -6.370 -8.166 1.00 0.00 C ATOM 208 O LYS A 12 5.765 -6.199 -8.264 1.00 0.00 O ATOM 209 CB LYS A 12 3.691 -7.077 -10.408 1.00 0.00 C ATOM 210 CG LYS A 12 3.197 -8.204 -11.303 1.00 0.00 C ATOM 211 CD LYS A 12 1.928 -7.817 -12.044 1.00 0.00 C ATOM 212 CE LYS A 12 1.115 -9.041 -12.433 1.00 0.00 C ATOM 213 NZ LYS A 12 -0.135 -8.673 -13.156 1.00 0.00 N ATOM 0 H LYS A 12 1.759 -7.343 -8.828 1.00 0.00 H new ATOM 0 HA LYS A 12 4.464 -8.381 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.994 -6.242 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.650 -6.721 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.973 -8.465 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.010 -9.092 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.324 -7.162 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.186 -7.251 -12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.720 -9.693 -13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.862 -9.608 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.829 -9.442 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.528 -7.801 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.078 -8.519 -14.162 1.00 0.00 H new ATOM 227 N ASP A 13 3.780 -5.617 -7.395 1.00 0.00 N ATOM 228 CA ASP A 13 4.325 -4.521 -6.600 1.00 0.00 C ATOM 229 C ASP A 13 4.732 -5.001 -5.209 1.00 0.00 C ATOM 230 O ASP A 13 5.483 -4.327 -4.504 1.00 0.00 O ATOM 231 CB ASP A 13 3.298 -3.393 -6.480 1.00 0.00 C ATOM 232 CG ASP A 13 3.374 -2.418 -7.639 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.484 -1.925 -7.929 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.321 -2.147 -8.256 1.00 0.00 O ATOM 0 H ASP A 13 2.772 -5.744 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 13 5.214 -4.146 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.296 -3.820 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.459 -2.856 -5.545 1.00 0.00 H new ATOM 239 N PHE A 14 4.223 -6.165 -4.818 1.00 0.00 N ATOM 240 CA PHE A 14 4.523 -6.739 -3.516 1.00 0.00 C ATOM 241 C PHE A 14 5.736 -7.659 -3.585 1.00 0.00 C ATOM 242 O PHE A 14 6.766 -7.392 -2.975 1.00 0.00 O ATOM 243 CB PHE A 14 3.312 -7.510 -2.986 1.00 0.00 C ATOM 244 CG PHE A 14 3.544 -8.154 -1.649 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.439 -7.414 -0.483 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.866 -9.500 -1.559 1.00 0.00 C ATOM 247 CE1 PHE A 14 3.654 -8.004 0.749 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.080 -10.094 -0.330 1.00 0.00 C ATOM 249 CZ PHE A 14 3.974 -9.345 0.826 1.00 0.00 C ATOM 0 H PHE A 14 3.597 -6.731 -5.391 1.00 0.00 H new ATOM 0 HA PHE A 14 4.755 -5.921 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.464 -6.829 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.038 -8.280 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.187 -6.365 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.950 -10.090 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.572 -7.416 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.330 -11.143 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.141 -9.807 1.788 1.00 0.00 H new ATOM 259 N ASP A 15 5.587 -8.758 -4.319 1.00 0.00 N ATOM 260 CA ASP A 15 6.651 -9.743 -4.465 1.00 0.00 C ATOM 261 C ASP A 15 7.543 -9.452 -5.669 1.00 0.00 C ATOM 262 O ASP A 15 8.769 -9.521 -5.569 1.00 0.00 O ATOM 263 CB ASP A 15 6.053 -11.145 -4.594 1.00 0.00 C ATOM 264 CG ASP A 15 7.046 -12.233 -4.231 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.453 -12.295 -3.051 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.415 -13.022 -5.125 1.00 0.00 O ATOM 0 H ASP A 15 4.732 -8.989 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 15 7.272 -9.685 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.179 -11.225 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.709 -11.298 -5.617 1.00 0.00 H new ATOM 271 N LYS A 16 6.931 -9.141 -6.809 1.00 0.00 N ATOM 272 CA LYS A 16 7.696 -8.863 -8.021 1.00 0.00 C ATOM 273 C LYS A 16 8.438 -7.535 -7.918 1.00 0.00 C ATOM 274 O LYS A 16 9.346 -7.263 -8.703 1.00 0.00 O ATOM 275 CB LYS A 16 6.787 -8.871 -9.250 1.00 0.00 C ATOM 276 CG LYS A 16 7.495 -9.294 -10.526 1.00 0.00 C ATOM 277 CD LYS A 16 6.544 -9.989 -11.487 1.00 0.00 C ATOM 278 CE LYS A 16 6.157 -11.371 -10.987 1.00 0.00 C ATOM 279 NZ LYS A 16 4.813 -11.784 -11.476 1.00 0.00 N ATOM 0 H LYS A 16 5.919 -9.076 -6.919 1.00 0.00 H new ATOM 0 HA LYS A 16 8.437 -9.655 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.950 -9.545 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.369 -7.874 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.928 -8.419 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.320 -9.963 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.647 -9.383 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.013 -10.074 -12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.901 -12.097 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.164 -11.378 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.587 -12.732 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.099 -11.106 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.813 -11.803 -12.516 1.00 0.00 H new ATOM 293 N LEU A 17 8.064 -6.717 -6.938 1.00 0.00 N ATOM 294 CA LEU A 17 8.716 -5.435 -6.737 1.00 0.00 C ATOM 295 C LEU A 17 10.030 -5.642 -6.003 1.00 0.00 C ATOM 296 O LEU A 17 11.035 -4.995 -6.302 1.00 0.00 O ATOM 297 CB LEU A 17 7.809 -4.499 -5.937 1.00 0.00 C ATOM 298 CG LEU A 17 8.489 -3.250 -5.378 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.021 -2.379 -6.506 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.524 -2.463 -4.504 1.00 0.00 C ATOM 0 H LEU A 17 7.316 -6.921 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 17 8.914 -4.980 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.982 -4.187 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.377 -5.059 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 17 9.332 -3.565 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.502 -1.495 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.747 -2.944 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.196 -2.073 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.026 -1.577 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.661 -2.160 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.193 -3.087 -3.674 1.00 0.00 H new ATOM 312 N LEU A 18 10.015 -6.558 -5.040 1.00 0.00 N ATOM 313 CA LEU A 18 11.215 -6.859 -4.260 1.00 0.00 C ATOM 314 C LEU A 18 12.266 -7.541 -5.129 1.00 0.00 C ATOM 315 O LEU A 18 13.452 -7.215 -5.055 1.00 0.00 O ATOM 316 CB LEU A 18 10.875 -7.748 -3.060 1.00 0.00 C ATOM 317 CG LEU A 18 9.442 -7.625 -2.546 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.270 -8.398 -1.253 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.065 -6.162 -2.355 1.00 0.00 C ATOM 0 H LEU A 18 9.192 -7.103 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 18 11.620 -5.916 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.058 -8.787 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.558 -7.508 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 18 8.772 -8.055 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.243 -8.298 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.493 -9.451 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.950 -8.002 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.041 -6.095 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.740 -5.704 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.144 -5.638 -3.308 1.00 0.00 H new ATOM 331 N LEU A 19 11.826 -8.486 -5.951 1.00 0.00 N ATOM 332 CA LEU A 19 12.731 -9.213 -6.833 1.00 0.00 C ATOM 333 C LEU A 19 13.336 -8.277 -7.875 1.00 0.00 C ATOM 334 O LEU A 19 14.490 -8.440 -8.274 1.00 0.00 O ATOM 335 CB LEU A 19 11.991 -10.359 -7.527 1.00 0.00 C ATOM 336 CG LEU A 19 11.884 -11.648 -6.706 1.00 0.00 C ATOM 337 CD1 LEU A 19 10.428 -12.036 -6.504 1.00 0.00 C ATOM 338 CD2 LEU A 19 12.650 -12.778 -7.380 1.00 0.00 C ATOM 0 H LEU A 19 10.848 -8.767 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 19 13.537 -9.627 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.986 -10.022 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.498 -10.584 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 19 12.329 -11.467 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.374 -12.954 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.909 -11.237 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.956 -12.196 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.562 -13.685 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.236 -12.957 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.701 -12.503 -7.469 1.00 0.00 H new ATOM 350 N ASN A 20 12.552 -7.296 -8.306 1.00 0.00 N ATOM 351 CA ASN A 20 13.011 -6.331 -9.298 1.00 0.00 C ATOM 352 C ASN A 20 14.149 -5.479 -8.746 1.00 0.00 C ATOM 353 O ASN A 20 14.961 -4.944 -9.502 1.00 0.00 O ATOM 354 CB ASN A 20 11.854 -5.431 -9.740 1.00 0.00 C ATOM 355 CG ASN A 20 12.219 -4.559 -10.925 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.041 -3.342 -10.892 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.732 -5.180 -11.980 1.00 0.00 N ATOM 0 H ASN A 20 11.596 -7.148 -7.984 1.00 0.00 H new ATOM 0 HA ASN A 20 13.382 -6.885 -10.160 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.995 -6.050 -9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.551 -4.798 -8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.996 -4.646 -12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.862 -6.192 -11.963 1.00 0.00 H new ATOM 364 N GLY A 21 14.204 -5.355 -7.423 1.00 0.00 N ATOM 365 CA GLY A 21 15.246 -4.567 -6.793 1.00 0.00 C ATOM 366 C GLY A 21 14.704 -3.628 -5.732 1.00 0.00 C ATOM 367 O GLY A 21 15.124 -2.474 -5.642 1.00 0.00 O ATOM 0 H GLY A 21 13.544 -5.787 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 21 15.979 -5.235 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.769 -3.987 -7.554 1.00 0.00 H new ATOM 371 N PHE A 22 13.768 -4.125 -4.929 1.00 0.00 N ATOM 372 CA PHE A 22 13.167 -3.326 -3.869 1.00 0.00 C ATOM 373 C PHE A 22 13.316 -4.016 -2.517 1.00 0.00 C ATOM 374 O PHE A 22 13.186 -5.237 -2.414 1.00 0.00 O ATOM 375 CB PHE A 22 11.688 -3.078 -4.167 1.00 0.00 C ATOM 376 CG PHE A 22 11.038 -2.116 -3.215 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.732 -2.507 -1.921 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.736 -0.824 -3.611 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.136 -1.625 -1.040 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.139 0.062 -2.735 1.00 0.00 C ATOM 381 CZ PHE A 22 9.839 -0.338 -1.447 1.00 0.00 C ATOM 0 H PHE A 22 13.410 -5.078 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 22 13.688 -2.370 -3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.590 -2.694 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.154 -4.028 -4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.962 -3.512 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.970 -0.505 -4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.902 -1.941 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.907 1.067 -3.057 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.374 0.353 -0.760 1.00 0.00 H new ATOM 391 N ASP A 23 13.591 -3.229 -1.483 1.00 0.00 N ATOM 392 CA ASP A 23 13.760 -3.765 -0.137 1.00 0.00 C ATOM 393 C ASP A 23 12.465 -4.397 0.365 1.00 0.00 C ATOM 394 O ASP A 23 11.465 -3.709 0.570 1.00 0.00 O ATOM 395 CB ASP A 23 14.206 -2.660 0.822 1.00 0.00 C ATOM 396 CG ASP A 23 15.173 -3.165 1.876 1.00 0.00 C ATOM 397 OD1 ASP A 23 16.174 -3.812 1.501 1.00 0.00 O ATOM 398 OD2 ASP A 23 14.928 -2.917 3.074 1.00 0.00 O ATOM 0 H ASP A 23 13.702 -2.217 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 23 14.529 -4.537 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.678 -1.858 0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.331 -2.232 1.311 1.00 0.00 H new ATOM 403 N ASP A 24 12.492 -5.711 0.563 1.00 0.00 N ATOM 404 CA ASP A 24 11.323 -6.439 1.042 1.00 0.00 C ATOM 405 C ASP A 24 11.058 -6.135 2.514 1.00 0.00 C ATOM 406 O ASP A 24 9.911 -6.129 2.960 1.00 0.00 O ATOM 407 CB ASP A 24 11.523 -7.943 0.858 1.00 0.00 C ATOM 408 CG ASP A 24 12.842 -8.425 1.432 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.900 -7.949 0.971 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.815 -9.282 2.340 1.00 0.00 O ATOM 0 H ASP A 24 13.313 -6.294 0.399 1.00 0.00 H new ATOM 0 HA ASP A 24 10.462 -6.115 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.704 -8.477 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.482 -8.185 -0.204 1.00 0.00 H new ATOM 415 N SER A 25 12.126 -5.891 3.264 1.00 0.00 N ATOM 416 CA SER A 25 12.015 -5.595 4.689 1.00 0.00 C ATOM 417 C SER A 25 11.186 -4.338 4.933 1.00 0.00 C ATOM 418 O SER A 25 10.266 -4.340 5.750 1.00 0.00 O ATOM 419 CB SER A 25 13.407 -5.428 5.303 1.00 0.00 C ATOM 420 OG SER A 25 13.402 -5.776 6.678 1.00 0.00 O ATOM 0 H SER A 25 13.082 -5.892 2.909 1.00 0.00 H new ATOM 0 HA SER A 25 11.507 -6.434 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.121 -6.054 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.738 -4.396 5.187 1.00 0.00 H new ATOM 0 HG SER A 25 14.303 -5.663 7.047 1.00 0.00 H new ATOM 426 N VAL A 26 11.520 -3.264 4.223 1.00 0.00 N ATOM 427 CA VAL A 26 10.808 -1.998 4.368 1.00 0.00 C ATOM 428 C VAL A 26 9.298 -2.188 4.234 1.00 0.00 C ATOM 429 O VAL A 26 8.516 -1.512 4.902 1.00 0.00 O ATOM 430 CB VAL A 26 11.281 -0.963 3.327 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.550 0.359 3.507 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.787 -0.762 3.422 1.00 0.00 C ATOM 0 H VAL A 26 12.279 -3.245 3.542 1.00 0.00 H new ATOM 0 HA VAL A 26 11.033 -1.626 5.368 1.00 0.00 H new ATOM 0 HB VAL A 26 11.046 -1.346 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.900 1.073 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.478 0.202 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.747 0.751 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.104 -0.029 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.044 -0.404 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.293 -1.709 3.235 1.00 0.00 H new ATOM 442 N LEU A 27 8.895 -3.110 3.367 1.00 0.00 N ATOM 443 CA LEU A 27 7.480 -3.385 3.152 1.00 0.00 C ATOM 444 C LEU A 27 6.847 -3.992 4.402 1.00 0.00 C ATOM 445 O LEU A 27 5.666 -3.778 4.678 1.00 0.00 O ATOM 446 CB LEU A 27 7.296 -4.317 1.946 1.00 0.00 C ATOM 447 CG LEU A 27 7.161 -5.807 2.275 1.00 0.00 C ATOM 448 CD1 LEU A 27 5.706 -6.167 2.525 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.735 -6.653 1.151 1.00 0.00 C ATOM 0 H LEU A 27 9.527 -3.678 2.803 1.00 0.00 H new ATOM 0 HA LEU A 27 6.975 -2.442 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.407 -4.002 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.146 -4.187 1.276 1.00 0.00 H new ATOM 0 HG LEU A 27 7.727 -6.013 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.629 -7.229 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.326 -5.584 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.118 -5.947 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.631 -7.709 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.196 -6.444 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.790 -6.414 1.018 1.00 0.00 H new ATOM 461 N ASN A 28 7.641 -4.750 5.151 1.00 0.00 N ATOM 462 CA ASN A 28 7.159 -5.389 6.372 1.00 0.00 C ATOM 463 C ASN A 28 6.561 -4.360 7.326 1.00 0.00 C ATOM 464 O ASN A 28 5.470 -4.553 7.859 1.00 0.00 O ATOM 465 CB ASN A 28 8.298 -6.141 7.063 1.00 0.00 C ATOM 466 CG ASN A 28 7.860 -7.489 7.601 1.00 0.00 C ATOM 467 OD1 ASN A 28 6.986 -8.143 7.031 1.00 0.00 O ATOM 468 ND2 ASN A 28 8.466 -7.911 8.705 1.00 0.00 N ATOM 0 H ASN A 28 8.620 -4.937 4.935 1.00 0.00 H new ATOM 0 HA ASN A 28 6.379 -6.099 6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.116 -6.283 6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.685 -5.535 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.212 -8.810 9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.185 -7.336 9.144 1.00 0.00 H new ATOM 475 N GLU A 29 7.281 -3.263 7.531 1.00 0.00 N ATOM 476 CA GLU A 29 6.821 -2.199 8.417 1.00 0.00 C ATOM 477 C GLU A 29 5.460 -1.664 7.975 1.00 0.00 C ATOM 478 O GLU A 29 4.735 -1.059 8.763 1.00 0.00 O ATOM 479 CB GLU A 29 7.844 -1.061 8.451 1.00 0.00 C ATOM 480 CG GLU A 29 9.001 -1.311 9.405 1.00 0.00 C ATOM 481 CD GLU A 29 10.334 -0.874 8.832 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.576 0.349 8.754 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.138 -1.754 8.459 1.00 0.00 O ATOM 0 H GLU A 29 8.186 -3.087 7.096 1.00 0.00 H new ATOM 0 HA GLU A 29 6.715 -2.616 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.239 -0.908 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.340 -0.139 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.819 -0.778 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.044 -2.373 9.647 1.00 0.00 H new ATOM 490 N VAL A 30 5.121 -1.888 6.708 1.00 0.00 N ATOM 491 CA VAL A 30 3.851 -1.428 6.160 1.00 0.00 C ATOM 492 C VAL A 30 2.747 -2.459 6.384 1.00 0.00 C ATOM 493 O VAL A 30 1.818 -2.235 7.160 1.00 0.00 O ATOM 494 CB VAL A 30 3.977 -1.140 4.649 1.00 0.00 C ATOM 495 CG1 VAL A 30 2.611 -0.892 4.022 1.00 0.00 C ATOM 496 CG2 VAL A 30 4.905 0.039 4.406 1.00 0.00 C ATOM 0 H VAL A 30 5.711 -2.387 6.041 1.00 0.00 H new ATOM 0 HA VAL A 30 3.588 -0.508 6.682 1.00 0.00 H new ATOM 0 HB VAL A 30 4.408 -2.020 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.730 -0.692 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.983 -1.773 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.141 -0.034 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.982 0.227 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.507 0.924 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.893 -0.187 4.806 1.00 0.00 H new ATOM 506 N ILE A 31 2.853 -3.581 5.683 1.00 0.00 N ATOM 507 CA ILE A 31 1.868 -4.654 5.778 1.00 0.00 C ATOM 508 C ILE A 31 1.555 -5.021 7.231 1.00 0.00 C ATOM 509 O ILE A 31 0.394 -5.030 7.638 1.00 0.00 O ATOM 510 CB ILE A 31 2.353 -5.907 5.010 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.041 -5.760 3.520 1.00 0.00 C ATOM 512 CG2 ILE A 31 1.720 -7.180 5.562 1.00 0.00 C ATOM 513 CD1 ILE A 31 2.776 -4.613 2.861 1.00 0.00 C ATOM 0 H ILE A 31 3.618 -3.773 5.037 1.00 0.00 H new ATOM 0 HA ILE A 31 0.949 -4.285 5.323 1.00 0.00 H new ATOM 0 HB ILE A 31 3.432 -5.989 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.299 -6.688 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.968 -5.614 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.083 -8.040 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.988 -7.294 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.636 -7.117 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.508 -4.567 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.500 -3.677 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.851 -4.767 2.956 1.00 0.00 H new ATOM 525 N LEU A 32 2.591 -5.332 8.006 1.00 0.00 N ATOM 526 CA LEU A 32 2.406 -5.710 9.404 1.00 0.00 C ATOM 527 C LEU A 32 1.633 -4.636 10.172 1.00 0.00 C ATOM 528 O LEU A 32 1.016 -4.921 11.197 1.00 0.00 O ATOM 529 CB LEU A 32 3.767 -5.992 10.064 1.00 0.00 C ATOM 530 CG LEU A 32 4.153 -5.080 11.234 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.363 -5.638 11.968 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.431 -3.667 10.741 1.00 0.00 C ATOM 0 H LEU A 32 3.561 -5.330 7.692 1.00 0.00 H new ATOM 0 HA LEU A 32 1.812 -6.623 9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.769 -7.023 10.418 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.541 -5.916 9.300 1.00 0.00 H new ATOM 0 HG LEU A 32 3.316 -5.041 11.931 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.623 -4.978 12.795 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.128 -6.630 12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.206 -5.707 11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.703 -3.034 11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.251 -3.687 10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.538 -3.267 10.261 1.00 0.00 H new ATOM 544 N THR A 33 1.670 -3.405 9.675 1.00 0.00 N ATOM 545 CA THR A 33 0.968 -2.301 10.323 1.00 0.00 C ATOM 546 C THR A 33 -0.456 -2.165 9.790 1.00 0.00 C ATOM 547 O THR A 33 -1.340 -1.657 10.479 1.00 0.00 O ATOM 548 CB THR A 33 1.729 -0.990 10.111 1.00 0.00 C ATOM 549 OG1 THR A 33 3.054 -1.094 10.599 1.00 0.00 O ATOM 550 CG2 THR A 33 1.081 0.195 10.795 1.00 0.00 C ATOM 0 H THR A 33 2.176 -3.146 8.828 1.00 0.00 H new ATOM 0 HA THR A 33 0.916 -2.518 11.390 1.00 0.00 H new ATOM 0 HB THR A 33 1.717 -0.820 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.682 -0.796 9.908 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.670 1.092 10.605 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.073 0.334 10.405 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.033 0.014 11.869 1.00 0.00 H new ATOM 558 N LEU A 34 -0.670 -2.614 8.556 1.00 0.00 N ATOM 559 CA LEU A 34 -1.985 -2.533 7.931 1.00 0.00 C ATOM 560 C LEU A 34 -2.814 -3.784 8.213 1.00 0.00 C ATOM 561 O LEU A 34 -4.043 -3.721 8.279 1.00 0.00 O ATOM 562 CB LEU A 34 -1.836 -2.337 6.421 1.00 0.00 C ATOM 563 CG LEU A 34 -1.031 -1.106 6.005 1.00 0.00 C ATOM 564 CD1 LEU A 34 -1.009 -0.968 4.491 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.605 0.147 6.648 1.00 0.00 C ATOM 0 H LEU A 34 0.050 -3.037 7.970 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.508 -1.678 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.360 -3.223 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.830 -2.269 5.979 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.005 -1.232 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.431 -0.086 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.551 -1.854 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.029 -0.865 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.020 1.014 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.640 0.277 6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.567 0.049 7.733 1.00 0.00 H new ATOM 577 N ARG A 35 -2.140 -4.918 8.370 1.00 0.00 N ATOM 578 CA ARG A 35 -2.822 -6.181 8.633 1.00 0.00 C ATOM 579 C ARG A 35 -2.888 -6.487 10.127 1.00 0.00 C ATOM 580 O ARG A 35 -3.082 -7.638 10.520 1.00 0.00 O ATOM 581 CB ARG A 35 -2.117 -7.323 7.904 1.00 0.00 C ATOM 582 CG ARG A 35 -1.822 -7.023 6.445 1.00 0.00 C ATOM 583 CD ARG A 35 -1.500 -8.290 5.669 1.00 0.00 C ATOM 584 NE ARG A 35 -0.449 -9.074 6.314 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.029 -10.257 5.872 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.570 -10.798 4.787 1.00 0.00 N ATOM 587 NH2 ARG A 35 0.934 -10.903 6.517 1.00 0.00 N ATOM 0 H ARG A 35 -1.124 -4.989 8.320 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.843 -6.086 8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.181 -7.547 8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.736 -8.218 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.681 -6.527 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.983 -6.331 6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.400 -8.897 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.188 -8.027 4.658 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.011 -8.692 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.311 -10.307 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.244 -11.705 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.353 -10.493 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.256 -11.810 6.178 1.00 0.00 H new ATOM 601 N LYS A 36 -2.730 -5.462 10.958 1.00 0.00 N ATOM 602 CA LYS A 36 -2.777 -5.650 12.404 1.00 0.00 C ATOM 603 C LYS A 36 -3.989 -4.949 13.009 1.00 0.00 C ATOM 604 O LYS A 36 -4.804 -5.578 13.684 1.00 0.00 O ATOM 605 CB LYS A 36 -1.491 -5.128 13.049 1.00 0.00 C ATOM 606 CG LYS A 36 -0.518 -6.229 13.438 1.00 0.00 C ATOM 607 CD LYS A 36 0.267 -5.864 14.688 1.00 0.00 C ATOM 608 CE LYS A 36 1.673 -5.395 14.349 1.00 0.00 C ATOM 609 NZ LYS A 36 2.705 -6.374 14.788 1.00 0.00 N ATOM 0 H LYS A 36 -2.570 -4.500 10.659 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.866 -6.718 12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.998 -4.446 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.748 -4.550 13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.065 -7.156 13.609 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.172 -6.413 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.258 -5.079 15.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.321 -6.728 15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.754 -5.239 13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.860 -4.433 14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.650 -6.018 14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.644 -6.504 15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.543 -7.285 14.314 1.00 0.00 H new ATOM 623 N LYS A 37 -4.105 -3.643 12.751 1.00 0.00 N ATOM 624 CA LYS A 37 -5.221 -2.834 13.256 1.00 0.00 C ATOM 625 C LYS A 37 -4.849 -1.354 13.306 1.00 0.00 C ATOM 626 O LYS A 37 -5.725 -0.489 13.337 1.00 0.00 O ATOM 627 CB LYS A 37 -5.652 -3.291 14.654 1.00 0.00 C ATOM 628 CG LYS A 37 -4.487 -3.556 15.595 1.00 0.00 C ATOM 629 CD LYS A 37 -4.470 -2.574 16.757 1.00 0.00 C ATOM 630 CE LYS A 37 -3.467 -2.986 17.823 1.00 0.00 C ATOM 631 NZ LYS A 37 -2.251 -2.124 17.804 1.00 0.00 N ATOM 0 H LYS A 37 -3.434 -3.119 12.190 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.052 -2.972 12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.297 -2.530 15.093 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.248 -4.199 14.562 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.553 -4.574 15.979 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.550 -3.484 15.043 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.222 -1.578 16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.465 -2.513 17.197 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.937 -2.930 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.178 -4.025 17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.592 -2.437 18.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.788 -2.197 16.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.523 -1.136 17.978 1.00 0.00 H new ATOM 645 N GLU A 38 -3.550 -1.064 13.320 1.00 0.00 N ATOM 646 CA GLU A 38 -3.075 0.314 13.373 1.00 0.00 C ATOM 647 C GLU A 38 -3.507 1.091 12.129 1.00 0.00 C ATOM 648 O GLU A 38 -3.018 0.833 11.029 1.00 0.00 O ATOM 649 CB GLU A 38 -1.551 0.343 13.499 1.00 0.00 C ATOM 650 CG GLU A 38 -1.032 1.507 14.327 1.00 0.00 C ATOM 651 CD GLU A 38 -0.441 2.613 13.474 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.669 2.420 12.937 1.00 0.00 O ATOM 653 OE2 GLU A 38 -1.090 3.673 13.343 1.00 0.00 O ATOM 0 H GLU A 38 -2.809 -1.765 13.295 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.518 0.790 14.248 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.214 -0.591 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.113 0.393 12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.846 1.912 14.927 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.274 1.144 15.021 1.00 0.00 H new ATOM 660 N PRO A 39 -4.428 2.060 12.285 1.00 0.00 N ATOM 661 CA PRO A 39 -4.915 2.871 11.167 1.00 0.00 C ATOM 662 C PRO A 39 -3.897 3.919 10.727 1.00 0.00 C ATOM 663 O PRO A 39 -3.136 4.439 11.544 1.00 0.00 O ATOM 664 CB PRO A 39 -6.160 3.543 11.739 1.00 0.00 C ATOM 665 CG PRO A 39 -5.888 3.653 13.199 1.00 0.00 C ATOM 666 CD PRO A 39 -5.065 2.443 13.561 1.00 0.00 C ATOM 0 HA PRO A 39 -5.107 2.271 10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.323 4.523 11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.055 2.951 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.350 4.573 13.427 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.817 3.677 13.768 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.323 2.677 14.325 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.686 1.639 13.956 1.00 0.00 H new ATOM 674 N LEU A 40 -3.891 4.227 9.436 1.00 0.00 N ATOM 675 CA LEU A 40 -2.967 5.217 8.892 1.00 0.00 C ATOM 676 C LEU A 40 -3.485 6.630 9.134 1.00 0.00 C ATOM 677 O LEU A 40 -4.494 7.040 8.562 1.00 0.00 O ATOM 678 CB LEU A 40 -2.759 4.980 7.395 1.00 0.00 C ATOM 679 CG LEU A 40 -2.309 3.566 7.022 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.921 3.141 5.696 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.791 3.492 6.959 1.00 0.00 C ATOM 0 H LEU A 40 -4.514 3.807 8.746 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.010 5.110 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.692 5.198 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.017 5.690 7.029 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.656 2.879 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.589 2.133 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.008 3.156 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.605 3.830 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.487 2.480 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.424 4.191 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.373 3.752 7.932 1.00 0.00 H new ATOM 693 N ASP A 41 -2.788 7.370 9.991 1.00 0.00 N ATOM 694 CA ASP A 41 -3.176 8.739 10.316 1.00 0.00 C ATOM 695 C ASP A 41 -3.237 9.606 9.062 1.00 0.00 C ATOM 696 O ASP A 41 -2.576 9.319 8.063 1.00 0.00 O ATOM 697 CB ASP A 41 -2.193 9.343 11.320 1.00 0.00 C ATOM 698 CG ASP A 41 -2.218 8.629 12.658 1.00 0.00 C ATOM 699 OD1 ASP A 41 -1.864 7.432 12.697 1.00 0.00 O ATOM 700 OD2 ASP A 41 -2.588 9.267 13.664 1.00 0.00 O ATOM 0 H ASP A 41 -1.951 7.044 10.474 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.171 8.710 10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.185 9.300 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.432 10.396 11.469 1.00 0.00 H new ATOM 705 N PRO A 42 -4.035 10.690 9.097 1.00 0.00 N ATOM 706 CA PRO A 42 -4.178 11.603 7.959 1.00 0.00 C ATOM 707 C PRO A 42 -2.896 12.376 7.665 1.00 0.00 C ATOM 708 O PRO A 42 -2.774 13.020 6.622 1.00 0.00 O ATOM 709 CB PRO A 42 -5.289 12.560 8.401 1.00 0.00 C ATOM 710 CG PRO A 42 -5.266 12.508 9.890 1.00 0.00 C ATOM 711 CD PRO A 42 -4.855 11.108 10.250 1.00 0.00 C ATOM 0 HA PRO A 42 -4.402 11.066 7.038 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.108 13.572 8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.258 12.250 8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.564 13.237 10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.246 12.745 10.304 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.286 11.082 11.179 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.719 10.457 10.387 1.00 0.00 H new ATOM 719 N GLN A 43 -1.938 12.309 8.586 1.00 0.00 N ATOM 720 CA GLN A 43 -0.667 13.003 8.417 1.00 0.00 C ATOM 721 C GLN A 43 0.311 12.180 7.577 1.00 0.00 C ATOM 722 O GLN A 43 1.466 12.566 7.401 1.00 0.00 O ATOM 723 CB GLN A 43 -0.047 13.313 9.781 1.00 0.00 C ATOM 724 CG GLN A 43 0.339 12.072 10.570 1.00 0.00 C ATOM 725 CD GLN A 43 1.675 12.221 11.270 1.00 0.00 C ATOM 726 OE1 GLN A 43 1.784 12.014 12.479 1.00 0.00 O ATOM 727 NE2 GLN A 43 2.704 12.582 10.512 1.00 0.00 N ATOM 0 H GLN A 43 -2.019 11.782 9.455 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.866 13.936 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.839 13.931 9.636 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.754 13.901 10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.433 11.861 11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.379 11.215 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.570 12.744 9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.628 12.698 10.928 1.00 0.00 H new ATOM 736 N PHE A 44 -0.156 11.044 7.059 1.00 0.00 N ATOM 737 CA PHE A 44 0.684 10.178 6.239 1.00 0.00 C ATOM 738 C PHE A 44 0.499 10.476 4.753 1.00 0.00 C ATOM 739 O PHE A 44 0.832 9.651 3.902 1.00 0.00 O ATOM 740 CB PHE A 44 0.360 8.710 6.519 1.00 0.00 C ATOM 741 CG PHE A 44 0.992 8.181 7.775 1.00 0.00 C ATOM 742 CD1 PHE A 44 2.344 7.877 7.809 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.236 7.989 8.920 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.929 7.389 8.962 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.817 7.502 10.076 1.00 0.00 C ATOM 746 CZ PHE A 44 2.164 7.202 10.097 1.00 0.00 C ATOM 0 H PHE A 44 -1.109 10.705 7.193 1.00 0.00 H new ATOM 0 HA PHE A 44 1.724 10.374 6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.721 8.593 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.691 8.106 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.947 8.023 6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.818 8.222 8.909 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.983 7.154 8.976 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.217 7.356 10.962 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.619 6.822 10.999 1.00 0.00 H new ATOM 756 N GLN A 45 -0.034 11.655 4.444 1.00 0.00 N ATOM 757 CA GLN A 45 -0.258 12.052 3.059 1.00 0.00 C ATOM 758 C GLN A 45 -1.207 11.084 2.360 1.00 0.00 C ATOM 759 O GLN A 45 -0.998 10.719 1.202 1.00 0.00 O ATOM 760 CB GLN A 45 1.071 12.116 2.303 1.00 0.00 C ATOM 761 CG GLN A 45 2.042 13.141 2.866 1.00 0.00 C ATOM 762 CD GLN A 45 3.072 12.522 3.791 1.00 0.00 C ATOM 763 OE1 GLN A 45 3.385 11.337 3.685 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.604 13.324 4.706 1.00 0.00 N ATOM 0 H GLN A 45 -0.318 12.351 5.134 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.715 13.041 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.540 11.132 2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.874 12.351 1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.552 13.642 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.484 13.905 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.315 14.301 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.302 12.963 5.357 1.00 0.00 H new ATOM 773 N ASP A 46 -2.252 10.671 3.068 1.00 0.00 N ATOM 774 CA ASP A 46 -3.234 9.745 2.515 1.00 0.00 C ATOM 775 C ASP A 46 -4.345 10.500 1.791 1.00 0.00 C ATOM 776 O ASP A 46 -5.300 10.965 2.413 1.00 0.00 O ATOM 777 CB ASP A 46 -3.829 8.877 3.625 1.00 0.00 C ATOM 778 CG ASP A 46 -4.507 9.697 4.703 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.159 10.887 4.850 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.385 9.150 5.401 1.00 0.00 O ATOM 0 H ASP A 46 -2.441 10.963 4.027 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.727 9.103 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.551 8.184 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.039 8.275 4.074 1.00 0.00 H new ATOM 785 N HIS A 47 -4.213 10.618 0.474 1.00 0.00 N ATOM 786 CA HIS A 47 -5.207 11.316 -0.333 1.00 0.00 C ATOM 787 C HIS A 47 -5.383 10.636 -1.688 1.00 0.00 C ATOM 788 O HIS A 47 -4.702 9.660 -1.998 1.00 0.00 O ATOM 789 CB HIS A 47 -4.797 12.776 -0.532 1.00 0.00 C ATOM 790 CG HIS A 47 -4.735 13.558 0.743 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.548 13.946 1.332 1.00 0.00 N ATOM 792 CD2 HIS A 47 -5.721 14.027 1.545 1.00 0.00 C ATOM 793 CE1 HIS A 47 -3.809 14.617 2.440 1.00 0.00 C ATOM 794 NE2 HIS A 47 -5.119 14.680 2.590 1.00 0.00 N ATOM 0 H HIS A 47 -3.428 10.240 -0.057 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.159 11.281 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.821 12.808 -1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.505 13.255 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.783 13.909 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.075 15.042 3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.605 15.140 3.359 1.00 0.00 H new ATOM 803 N ALA A 48 -6.305 11.159 -2.490 1.00 0.00 N ATOM 804 CA ALA A 48 -6.572 10.603 -3.811 1.00 0.00 C ATOM 805 C ALA A 48 -5.355 10.733 -4.720 1.00 0.00 C ATOM 806 O ALA A 48 -4.405 11.451 -4.404 1.00 0.00 O ATOM 807 CB ALA A 48 -7.776 11.292 -4.438 1.00 0.00 C ATOM 0 H ALA A 48 -6.879 11.967 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.792 9.542 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.965 10.868 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.651 11.143 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.575 12.359 -4.534 1.00 0.00 H new ATOM 813 N LEU A 49 -5.390 10.034 -5.851 1.00 0.00 N ATOM 814 CA LEU A 49 -4.290 10.071 -6.806 1.00 0.00 C ATOM 815 C LEU A 49 -4.729 10.715 -8.118 1.00 0.00 C ATOM 816 O LEU A 49 -5.876 11.137 -8.260 1.00 0.00 O ATOM 817 CB LEU A 49 -3.768 8.658 -7.071 1.00 0.00 C ATOM 818 CG LEU A 49 -2.765 8.135 -6.043 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.855 6.621 -5.930 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.352 8.563 -6.415 1.00 0.00 C ATOM 0 H LEU A 49 -6.169 9.436 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.490 10.673 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.616 7.975 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.300 8.639 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.010 8.564 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.133 6.268 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.860 6.339 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.636 6.170 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.650 8.183 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.097 8.162 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.297 9.651 -6.443 1.00 0.00 H new ATOM 832 N LYS A 50 -3.807 10.783 -9.073 1.00 0.00 N ATOM 833 CA LYS A 50 -4.097 11.374 -10.375 1.00 0.00 C ATOM 834 C LYS A 50 -3.633 10.458 -11.502 1.00 0.00 C ATOM 835 O LYS A 50 -2.715 9.657 -11.325 1.00 0.00 O ATOM 836 CB LYS A 50 -3.418 12.740 -10.501 1.00 0.00 C ATOM 837 CG LYS A 50 -3.633 13.642 -9.297 1.00 0.00 C ATOM 838 CD LYS A 50 -2.396 14.474 -8.997 1.00 0.00 C ATOM 839 CE LYS A 50 -2.526 15.885 -9.546 1.00 0.00 C ATOM 840 NZ LYS A 50 -3.553 16.674 -8.810 1.00 0.00 N ATOM 0 H LYS A 50 -2.853 10.436 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.176 11.503 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.348 12.592 -10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.794 13.242 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.481 14.302 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.885 13.036 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.237 14.515 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.519 13.993 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.563 16.391 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.790 15.841 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.368 17.689 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.498 16.446 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.512 16.439 -7.798 1.00 0.00 H new ATOM 854 N GLY A 51 -4.273 10.580 -12.659 1.00 0.00 N ATOM 855 CA GLY A 51 -3.909 9.756 -13.797 1.00 0.00 C ATOM 856 C GLY A 51 -4.846 8.579 -13.988 1.00 0.00 C ATOM 857 O GLY A 51 -5.999 8.753 -14.383 1.00 0.00 O ATOM 0 H GLY A 51 -5.037 11.234 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.911 10.368 -14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.892 9.388 -13.664 1.00 0.00 H new ATOM 861 N LYS A 52 -4.349 7.378 -13.707 1.00 0.00 N ATOM 862 CA LYS A 52 -5.147 6.167 -13.852 1.00 0.00 C ATOM 863 C LYS A 52 -5.661 5.682 -12.499 1.00 0.00 C ATOM 864 O LYS A 52 -6.660 4.966 -12.425 1.00 0.00 O ATOM 865 CB LYS A 52 -4.324 5.066 -14.524 1.00 0.00 C ATOM 866 CG LYS A 52 -4.557 4.961 -16.023 1.00 0.00 C ATOM 867 CD LYS A 52 -5.363 3.722 -16.379 1.00 0.00 C ATOM 868 CE LYS A 52 -6.229 3.952 -17.606 1.00 0.00 C ATOM 869 NZ LYS A 52 -6.894 2.701 -18.061 1.00 0.00 N ATOM 0 H LYS A 52 -3.397 7.218 -13.378 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.006 6.404 -14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.266 5.252 -14.341 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.564 4.110 -14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.082 5.850 -16.373 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.598 4.933 -16.540 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.686 2.887 -16.562 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.994 3.442 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.986 4.703 -17.380 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.615 4.351 -18.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.475 2.902 -18.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.172 1.992 -18.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.500 2.334 -17.300 1.00 0.00 H new ATOM 883 N TRP A 53 -4.971 6.072 -11.430 1.00 0.00 N ATOM 884 CA TRP A 53 -5.362 5.671 -10.082 1.00 0.00 C ATOM 885 C TRP A 53 -6.209 6.751 -9.413 1.00 0.00 C ATOM 886 O TRP A 53 -6.202 6.889 -8.190 1.00 0.00 O ATOM 887 CB TRP A 53 -4.121 5.382 -9.232 1.00 0.00 C ATOM 888 CG TRP A 53 -3.041 4.657 -9.977 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.697 4.895 -9.910 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.210 3.576 -10.902 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.022 4.030 -10.737 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.929 3.210 -11.356 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.321 2.882 -11.390 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.730 2.181 -12.273 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.122 1.861 -12.300 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.835 1.518 -12.733 1.00 0.00 C ATOM 0 H TRP A 53 -4.141 6.663 -11.471 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.961 4.764 -10.162 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.722 6.323 -8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.414 4.790 -8.365 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.233 5.653 -9.296 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.011 4.003 -10.869 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.317 3.139 -11.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.739 1.916 -12.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.973 1.318 -12.684 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.712 0.714 -13.444 1.00 0.00 H new ATOM 907 N LYS A 54 -6.940 7.512 -10.221 1.00 0.00 N ATOM 908 CA LYS A 54 -7.790 8.579 -9.705 1.00 0.00 C ATOM 909 C LYS A 54 -8.831 8.036 -8.728 1.00 0.00 C ATOM 910 O LYS A 54 -8.928 8.503 -7.593 1.00 0.00 O ATOM 911 CB LYS A 54 -8.485 9.310 -10.855 1.00 0.00 C ATOM 912 CG LYS A 54 -8.591 10.813 -10.644 1.00 0.00 C ATOM 913 CD LYS A 54 -9.187 11.505 -11.859 1.00 0.00 C ATOM 914 CE LYS A 54 -8.112 12.161 -12.712 1.00 0.00 C ATOM 915 NZ LYS A 54 -8.054 13.633 -12.500 1.00 0.00 N ATOM 0 H LYS A 54 -6.961 7.410 -11.236 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.152 9.281 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.939 9.119 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.486 8.898 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.208 11.016 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.602 11.223 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.736 10.779 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.905 12.258 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.143 11.722 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.307 11.954 -13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.309 14.041 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.970 14.056 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.842 13.832 -11.501 1.00 0.00 H new ATOM 929 N PRO A 55 -9.632 7.038 -9.150 1.00 0.00 N ATOM 930 CA PRO A 55 -10.663 6.447 -8.293 1.00 0.00 C ATOM 931 C PRO A 55 -10.077 5.770 -7.055 1.00 0.00 C ATOM 932 O PRO A 55 -10.811 5.398 -6.139 1.00 0.00 O ATOM 933 CB PRO A 55 -11.344 5.412 -9.197 1.00 0.00 C ATOM 934 CG PRO A 55 -10.361 5.135 -10.282 1.00 0.00 C ATOM 935 CD PRO A 55 -9.598 6.412 -10.485 1.00 0.00 C ATOM 0 HA PRO A 55 -11.345 7.205 -7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.586 4.505 -8.644 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.280 5.798 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.692 4.321 -10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.867 4.833 -11.199 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.577 6.223 -10.816 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.065 7.045 -11.239 1.00 0.00 H new ATOM 943 N PHE A 56 -8.755 5.615 -7.028 1.00 0.00 N ATOM 944 CA PHE A 56 -8.087 4.988 -5.896 1.00 0.00 C ATOM 945 C PHE A 56 -7.495 6.041 -4.964 1.00 0.00 C ATOM 946 O PHE A 56 -7.423 7.220 -5.310 1.00 0.00 O ATOM 947 CB PHE A 56 -6.986 4.042 -6.382 1.00 0.00 C ATOM 948 CG PHE A 56 -7.449 3.065 -7.426 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.668 2.419 -7.297 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.665 2.791 -8.535 1.00 0.00 C ATOM 951 CE1 PHE A 56 -9.097 1.518 -8.255 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.087 1.892 -9.497 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.304 1.255 -9.357 1.00 0.00 C ATOM 0 H PHE A 56 -8.129 5.915 -7.776 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.829 4.413 -5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.165 4.632 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.591 3.490 -5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.291 2.621 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.712 3.286 -8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.049 1.021 -8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.466 1.688 -10.357 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.636 0.552 -10.107 1.00 0.00 H new ATOM 963 N ARG A 57 -7.074 5.607 -3.780 1.00 0.00 N ATOM 964 CA ARG A 57 -6.491 6.513 -2.797 1.00 0.00 C ATOM 965 C ARG A 57 -5.067 6.092 -2.445 1.00 0.00 C ATOM 966 O ARG A 57 -4.730 4.909 -2.491 1.00 0.00 O ATOM 967 CB ARG A 57 -7.351 6.550 -1.532 1.00 0.00 C ATOM 968 CG ARG A 57 -6.968 7.663 -0.569 1.00 0.00 C ATOM 969 CD ARG A 57 -8.174 8.496 -0.166 1.00 0.00 C ATOM 970 NE ARG A 57 -9.171 7.705 0.552 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.441 8.074 0.703 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.873 9.219 0.191 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.281 7.295 1.371 1.00 0.00 N ATOM 0 H ARG A 57 -7.126 4.634 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.458 7.511 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.396 6.671 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.269 5.592 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.509 7.233 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.220 8.306 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.848 9.325 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.629 8.930 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.877 6.818 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.231 9.823 -0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.847 9.496 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.954 6.414 1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.254 7.576 1.488 1.00 0.00 H new ATOM 987 N GLU A 58 -4.236 7.068 -2.095 1.00 0.00 N ATOM 988 CA GLU A 58 -2.848 6.800 -1.735 1.00 0.00 C ATOM 989 C GLU A 58 -2.649 6.883 -0.226 1.00 0.00 C ATOM 990 O GLU A 58 -3.553 7.275 0.511 1.00 0.00 O ATOM 991 CB GLU A 58 -1.917 7.787 -2.442 1.00 0.00 C ATOM 992 CG GLU A 58 -0.717 7.127 -3.103 1.00 0.00 C ATOM 993 CD GLU A 58 0.412 8.103 -3.367 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.122 9.269 -3.709 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.587 7.701 -3.231 1.00 0.00 O ATOM 0 H GLU A 58 -4.500 8.052 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.605 5.788 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.484 8.330 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.564 8.522 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.354 6.320 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.029 6.674 -4.044 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.454 6.514 0.227 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.129 6.549 1.647 1.00 0.00 C ATOM 1004 C CYS A 59 0.358 6.289 1.868 1.00 0.00 C ATOM 1005 O CYS A 59 0.825 5.155 1.750 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.958 5.511 2.409 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.064 5.814 4.188 1.00 0.00 S ATOM 0 H CYS A 59 -0.695 6.187 -0.371 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.369 7.543 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.966 5.491 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.525 4.524 2.244 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.308 5.763 4.564 1.00 0.00 H new ATOM 1013 N HIS A 60 1.098 7.346 2.184 1.00 0.00 N ATOM 1014 CA HIS A 60 2.533 7.231 2.418 1.00 0.00 C ATOM 1015 C HIS A 60 2.818 6.673 3.808 1.00 0.00 C ATOM 1016 O HIS A 60 2.919 7.422 4.780 1.00 0.00 O ATOM 1017 CB HIS A 60 3.209 8.594 2.253 1.00 0.00 C ATOM 1018 CG HIS A 60 2.970 9.222 0.916 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.943 9.914 0.223 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.860 9.261 0.140 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.442 10.350 -0.919 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.181 9.967 -0.993 1.00 0.00 N ATOM 0 H HIS A 60 0.728 8.291 2.284 1.00 0.00 H new ATOM 0 HA HIS A 60 2.940 6.539 1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.847 9.266 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.282 8.479 2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.902 8.819 0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.974 10.922 -1.665 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.547 10.164 -1.767 1.00 0.00 H new ATOM 1031 N ILE A 61 2.948 5.354 3.894 1.00 0.00 N ATOM 1032 CA ILE A 61 3.225 4.693 5.165 1.00 0.00 C ATOM 1033 C ILE A 61 4.562 5.151 5.738 1.00 0.00 C ATOM 1034 O ILE A 61 4.687 5.383 6.940 1.00 0.00 O ATOM 1035 CB ILE A 61 3.242 3.158 5.006 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.949 2.679 4.345 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.433 2.486 6.357 1.00 0.00 C ATOM 1038 CD1 ILE A 61 2.079 2.448 2.855 1.00 0.00 C ATOM 0 H ILE A 61 2.866 4.721 3.099 1.00 0.00 H new ATOM 0 HA ILE A 61 2.425 4.970 5.851 1.00 0.00 H new ATOM 0 HB ILE A 61 4.080 2.883 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.629 1.752 4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.165 3.416 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.443 1.404 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.379 2.808 6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.614 2.764 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.123 2.110 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.368 3.378 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.839 1.689 2.669 1.00 0.00 H new ATOM 1050 N LYS A 62 5.557 5.280 4.868 1.00 0.00 N ATOM 1051 CA LYS A 62 6.887 5.711 5.283 1.00 0.00 C ATOM 1052 C LYS A 62 7.386 6.843 4.387 1.00 0.00 C ATOM 1053 O LYS A 62 6.741 7.193 3.399 1.00 0.00 O ATOM 1054 CB LYS A 62 7.866 4.535 5.237 1.00 0.00 C ATOM 1055 CG LYS A 62 7.260 3.215 5.690 1.00 0.00 C ATOM 1056 CD LYS A 62 8.282 2.350 6.410 1.00 0.00 C ATOM 1057 CE LYS A 62 8.774 3.013 7.686 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.103 3.661 7.501 1.00 0.00 N ATOM 0 H LYS A 62 5.468 5.092 3.869 1.00 0.00 H new ATOM 0 HA LYS A 62 6.825 6.078 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.238 4.423 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.726 4.765 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.416 3.409 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.871 2.677 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.838 1.384 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.127 2.158 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.049 3.759 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.841 2.268 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.836 3.090 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.316 3.733 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.086 4.613 7.920 1.00 0.00 H new ATOM 1072 N PRO A 63 8.547 7.437 4.720 1.00 0.00 N ATOM 1073 CA PRO A 63 9.127 8.537 3.939 1.00 0.00 C ATOM 1074 C PRO A 63 9.564 8.104 2.541 1.00 0.00 C ATOM 1075 O PRO A 63 9.982 8.929 1.729 1.00 0.00 O ATOM 1076 CB PRO A 63 10.344 8.979 4.766 1.00 0.00 C ATOM 1077 CG PRO A 63 10.158 8.358 6.110 1.00 0.00 C ATOM 1078 CD PRO A 63 9.382 7.095 5.880 1.00 0.00 C ATOM 0 HA PRO A 63 8.399 9.331 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.274 8.646 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.395 10.065 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.119 8.145 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.620 9.030 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.037 6.249 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.780 6.826 6.748 1.00 0.00 H new ATOM 1086 N ASP A 64 9.460 6.812 2.268 1.00 0.00 N ATOM 1087 CA ASP A 64 9.840 6.267 0.970 1.00 0.00 C ATOM 1088 C ASP A 64 8.925 5.111 0.577 1.00 0.00 C ATOM 1089 O ASP A 64 9.337 4.195 -0.133 1.00 0.00 O ATOM 1090 CB ASP A 64 11.295 5.796 0.996 1.00 0.00 C ATOM 1091 CG ASP A 64 11.945 5.846 -0.372 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.205 6.963 -0.866 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.194 4.767 -0.951 1.00 0.00 O ATOM 0 H ASP A 64 9.114 6.117 2.930 1.00 0.00 H new ATOM 0 HA ASP A 64 9.736 7.058 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.863 6.418 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.337 4.776 1.378 1.00 0.00 H new ATOM 1098 N VAL A 65 7.681 5.161 1.044 1.00 0.00 N ATOM 1099 CA VAL A 65 6.709 4.118 0.740 1.00 0.00 C ATOM 1100 C VAL A 65 5.313 4.702 0.551 1.00 0.00 C ATOM 1101 O VAL A 65 4.887 5.578 1.302 1.00 0.00 O ATOM 1102 CB VAL A 65 6.661 3.050 1.851 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.627 1.974 1.532 1.00 0.00 C ATOM 1104 CG2 VAL A 65 8.034 2.433 2.047 1.00 0.00 C ATOM 0 H VAL A 65 7.323 5.912 1.634 1.00 0.00 H new ATOM 0 HA VAL A 65 7.032 3.650 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 65 6.362 3.536 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.614 1.233 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.641 2.431 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.886 1.488 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.986 1.681 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.359 1.965 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.745 3.209 2.330 1.00 0.00 H new ATOM 1114 N LEU A 66 4.606 4.200 -0.455 1.00 0.00 N ATOM 1115 CA LEU A 66 3.252 4.659 -0.749 1.00 0.00 C ATOM 1116 C LEU A 66 2.463 3.566 -1.464 1.00 0.00 C ATOM 1117 O LEU A 66 2.743 3.241 -2.617 1.00 0.00 O ATOM 1118 CB LEU A 66 3.273 5.935 -1.606 1.00 0.00 C ATOM 1119 CG LEU A 66 4.659 6.519 -1.905 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.626 7.331 -3.190 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.142 7.375 -0.742 1.00 0.00 C ATOM 0 H LEU A 66 4.949 3.473 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 66 2.765 4.890 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.778 5.721 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.680 6.698 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 66 5.360 5.695 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.617 7.739 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.325 6.689 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.912 8.148 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.127 7.780 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.442 8.194 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.203 6.764 0.159 1.00 0.00 H new ATOM 1133 N LEU A 67 1.479 3.001 -0.772 1.00 0.00 N ATOM 1134 CA LEU A 67 0.657 1.942 -1.345 1.00 0.00 C ATOM 1135 C LEU A 67 -0.781 2.416 -1.554 1.00 0.00 C ATOM 1136 O LEU A 67 -1.384 3.016 -0.664 1.00 0.00 O ATOM 1137 CB LEU A 67 0.701 0.695 -0.444 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.643 0.231 0.132 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.489 -0.430 -0.945 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.419 -0.723 1.295 1.00 0.00 C ATOM 0 H LEU A 67 1.232 3.258 0.184 1.00 0.00 H new ATOM 0 HA LEU A 67 1.062 1.679 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.131 -0.127 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.379 0.895 0.386 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.181 1.105 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.438 -0.752 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.677 0.282 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.959 -1.295 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.382 -1.044 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.139 -1.593 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.147 -0.217 2.077 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.320 2.131 -2.734 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.686 2.517 -3.068 1.00 0.00 C ATOM 1154 C VAL A 68 -3.667 1.408 -2.701 1.00 0.00 C ATOM 1155 O VAL A 68 -3.361 0.225 -2.850 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.823 2.836 -4.568 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.212 3.367 -4.883 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.755 3.827 -5.003 1.00 0.00 C ATOM 0 H VAL A 68 -0.830 1.633 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.920 3.412 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.680 1.912 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.285 3.585 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.957 2.618 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.391 4.279 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.868 4.040 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.862 4.751 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.768 3.402 -4.821 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.844 1.795 -2.220 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.863 0.825 -1.834 1.00 0.00 C ATOM 1170 C TYR A 69 -7.261 1.431 -1.924 1.00 0.00 C ATOM 1171 O TYR A 69 -7.418 2.651 -1.981 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.604 0.323 -0.412 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.710 1.402 0.641 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -4.601 2.157 1.003 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -6.918 1.663 1.277 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -4.694 3.143 1.966 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -7.017 2.648 2.241 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.903 3.385 2.582 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.999 4.366 3.542 1.00 0.00 O ATOM 0 H TYR A 69 -5.115 2.769 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.808 -0.015 -2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.316 -0.470 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.609 -0.119 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.651 1.970 0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.793 1.087 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.823 3.722 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.963 2.840 2.725 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.920 4.409 3.875 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.272 0.568 -1.934 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.659 1.013 -2.016 1.00 0.00 C ATOM 1191 C LEU A 70 -10.387 0.761 -0.699 1.00 0.00 C ATOM 1192 O LEU A 70 -9.869 0.080 0.188 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.382 0.294 -3.156 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.395 1.146 -3.922 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.746 2.426 -4.425 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.989 0.355 -5.079 1.00 0.00 C ATOM 0 H LEU A 70 -8.157 -0.444 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.660 2.085 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.638 -0.078 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.897 -0.575 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.202 1.417 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.483 3.019 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.370 3.001 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.919 2.178 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.708 0.976 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.193 0.053 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.492 -0.532 -4.693 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.589 1.314 -0.576 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.385 1.148 0.634 1.00 0.00 C ATOM 1210 C VAL A 71 -13.749 0.542 0.320 1.00 0.00 C ATOM 1211 O VAL A 71 -14.609 1.195 -0.273 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.592 2.492 1.360 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.222 2.272 2.727 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.274 3.238 1.486 1.00 0.00 C ATOM 0 H VAL A 71 -12.033 1.880 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.830 0.471 1.284 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.274 3.102 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.360 3.233 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.189 1.783 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.569 1.642 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.439 4.184 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.567 2.634 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.869 3.431 0.493 1.00 0.00 H new ATOM 1224 N LYS A 72 -13.942 -0.710 0.722 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.203 -1.403 0.486 1.00 0.00 C ATOM 1226 C LYS A 72 -16.193 -1.126 1.614 1.00 0.00 C ATOM 1227 O LYS A 72 -15.804 -0.697 2.700 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.964 -2.910 0.352 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.505 -3.500 -0.941 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.777 -4.295 -0.704 1.00 0.00 C ATOM 1231 CE LYS A 72 -17.747 -4.156 -1.868 1.00 0.00 C ATOM 1232 NZ LYS A 72 -18.714 -3.045 -1.655 1.00 0.00 N ATOM 0 H LYS A 72 -13.241 -1.265 1.213 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.629 -1.029 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.893 -3.106 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.428 -3.419 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.704 -2.698 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.750 -4.145 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.528 -5.346 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.256 -3.952 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.188 -3.980 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.292 -5.091 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.324 -2.951 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.300 -3.250 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.195 -2.157 -1.504 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.475 -1.372 1.347 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.528 -1.148 2.337 1.00 0.00 C ATOM 1248 C ASP A 73 -18.119 -1.666 3.714 1.00 0.00 C ATOM 1249 O ASP A 73 -18.023 -0.901 4.672 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.825 -1.824 1.890 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.747 -0.874 1.150 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.248 -0.099 0.308 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.968 -0.906 1.413 1.00 0.00 O ATOM 0 H ASP A 73 -17.810 -1.727 0.451 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.689 -0.073 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.587 -2.670 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.343 -2.223 2.762 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.878 -2.969 3.804 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.478 -3.587 5.062 1.00 0.00 C ATOM 1260 C ASP A 74 -16.157 -4.333 4.906 1.00 0.00 C ATOM 1261 O ASP A 74 -15.896 -5.306 5.612 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.567 -4.546 5.549 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.453 -3.923 6.610 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.593 -2.681 6.610 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.005 -4.675 7.440 1.00 0.00 O ATOM 0 H ASP A 74 -17.953 -3.618 3.020 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.341 -2.797 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.180 -4.855 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.102 -5.446 5.951 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.327 -3.870 3.975 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.033 -4.497 3.728 1.00 0.00 C ATOM 1272 C GLU A 75 -13.095 -3.538 3.002 1.00 0.00 C ATOM 1273 O GLU A 75 -13.493 -2.442 2.609 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.215 -5.774 2.905 1.00 0.00 C ATOM 1275 CG GLU A 75 -14.722 -6.955 3.717 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.223 -7.143 3.602 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.897 -6.235 3.070 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.725 -8.198 4.044 1.00 0.00 O ATOM 0 H GLU A 75 -15.527 -3.065 3.381 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.588 -4.752 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.914 -5.576 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.262 -6.041 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.220 -7.863 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.457 -6.811 4.764 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.847 -3.960 2.827 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.849 -3.142 2.146 1.00 0.00 C ATOM 1287 C LEU A 76 -10.033 -3.985 1.173 1.00 0.00 C ATOM 1288 O LEU A 76 -9.823 -5.177 1.397 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.928 -2.470 3.166 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.755 -1.687 2.568 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.564 -0.365 3.295 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.481 -2.516 2.620 1.00 0.00 C ATOM 0 H LEU A 76 -11.502 -4.865 3.148 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.368 -2.370 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.523 -1.792 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.531 -3.235 3.833 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.983 -1.471 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.726 0.175 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.470 0.234 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.359 -0.555 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.658 -1.945 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.250 -2.764 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.621 -3.434 2.050 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.581 -3.362 0.090 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.794 -4.062 -0.918 1.00 0.00 C ATOM 1306 C ILE A 77 -7.547 -3.267 -1.300 1.00 0.00 C ATOM 1307 O ILE A 77 -7.626 -2.079 -1.608 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.628 -4.336 -2.185 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.987 -3.024 -2.889 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.889 -5.112 -1.830 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.016 -2.642 -3.985 1.00 0.00 C ATOM 0 H ILE A 77 -9.746 -2.376 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.489 -5.012 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.029 -4.938 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.987 -3.111 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.023 -2.223 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.468 -5.298 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.615 -6.063 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.488 -4.531 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.332 -1.703 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.018 -2.523 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.997 -3.425 -4.744 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.399 -3.936 -1.282 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.136 -3.293 -1.634 1.00 0.00 C ATOM 1325 C LEU A 78 -5.021 -3.127 -3.146 1.00 0.00 C ATOM 1326 O LEU A 78 -5.363 -4.034 -3.905 1.00 0.00 O ATOM 1327 CB LEU A 78 -3.958 -4.113 -1.105 1.00 0.00 C ATOM 1328 CG LEU A 78 -3.991 -4.397 0.398 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.902 -5.389 0.776 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.837 -3.106 1.186 1.00 0.00 C ATOM 0 H LEU A 78 -6.316 -4.920 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.114 -2.305 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.927 -5.063 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.033 -3.586 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.957 -4.837 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.940 -5.580 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.057 -6.323 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.927 -4.976 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.863 -3.326 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.885 -2.638 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.653 -2.427 0.936 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.545 -1.964 -3.577 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.392 -1.684 -5.000 1.00 0.00 C ATOM 1344 C LEU A 79 -2.980 -2.009 -5.478 1.00 0.00 C ATOM 1345 O LEU A 79 -2.777 -2.953 -6.242 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.726 -0.218 -5.292 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.804 -0.001 -6.356 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.403 -0.659 -7.666 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.143 -0.542 -5.872 1.00 0.00 C ATOM 0 H LEU A 79 -4.259 -1.201 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.088 -2.322 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.050 0.257 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.816 0.290 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.907 1.070 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.182 -0.494 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.467 -0.226 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.272 -1.730 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.900 -0.380 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.053 -1.609 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.436 -0.024 -4.959 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.008 -1.220 -5.031 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.618 -1.431 -5.426 1.00 0.00 C ATOM 1363 C ARG A 80 0.346 -0.768 -4.445 1.00 0.00 C ATOM 1364 O ARG A 80 -0.001 0.209 -3.783 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.383 -0.890 -6.839 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.455 0.627 -6.930 1.00 0.00 C ATOM 1367 CD ARG A 80 0.933 1.254 -6.924 1.00 0.00 C ATOM 1368 NE ARG A 80 1.189 2.022 -8.140 1.00 0.00 N ATOM 1369 CZ ARG A 80 2.406 2.372 -8.553 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.478 2.022 -7.852 1.00 0.00 N ATOM 1371 NH2 ARG A 80 2.552 3.072 -9.670 1.00 0.00 N ATOM 0 H ARG A 80 -2.155 -0.433 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.426 -2.504 -5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.595 -1.221 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.124 -1.322 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.981 0.913 -7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.034 1.016 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.034 1.905 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.685 0.471 -6.824 1.00 0.00 H new ATOM 0 HE ARG A 80 0.389 2.307 -8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.372 1.483 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.408 2.293 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.732 3.343 -10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.484 3.340 -9.986 1.00 0.00 H new ATOM 1385 N LEU A 81 1.559 -1.305 -4.365 1.00 0.00 N ATOM 1386 CA LEU A 81 2.579 -0.768 -3.470 1.00 0.00 C ATOM 1387 C LEU A 81 3.731 -0.165 -4.267 1.00 0.00 C ATOM 1388 O LEU A 81 4.305 -0.819 -5.137 1.00 0.00 O ATOM 1389 CB LEU A 81 3.102 -1.872 -2.541 1.00 0.00 C ATOM 1390 CG LEU A 81 4.168 -1.439 -1.528 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.519 -1.266 -2.207 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.754 -0.153 -0.825 1.00 0.00 C ATOM 0 H LEU A 81 1.860 -2.113 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 81 2.127 0.019 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.257 -2.292 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.514 -2.673 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 81 4.260 -2.224 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.260 -0.959 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.824 -2.211 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.441 -0.504 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.525 0.136 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.627 0.640 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.813 -0.313 -0.298 1.00 0.00 H new ATOM 1404 N GLY A 82 4.064 1.086 -3.965 1.00 0.00 N ATOM 1405 CA GLY A 82 5.146 1.753 -4.665 1.00 0.00 C ATOM 1406 C GLY A 82 5.933 2.687 -3.765 1.00 0.00 C ATOM 1407 O GLY A 82 5.733 2.702 -2.550 1.00 0.00 O ATOM 0 H GLY A 82 3.605 1.649 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.819 1.005 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.738 2.319 -5.502 1.00 0.00 H new ATOM 1411 N SER A 83 6.827 3.467 -4.364 1.00 0.00 N ATOM 1412 CA SER A 83 7.647 4.407 -3.609 1.00 0.00 C ATOM 1413 C SER A 83 7.553 5.809 -4.204 1.00 0.00 C ATOM 1414 O SER A 83 6.985 6.000 -5.279 1.00 0.00 O ATOM 1415 CB SER A 83 9.105 3.945 -3.589 1.00 0.00 C ATOM 1416 OG SER A 83 9.872 4.714 -2.678 1.00 0.00 O ATOM 0 H SER A 83 7.002 3.467 -5.369 1.00 0.00 H new ATOM 0 HA SER A 83 7.271 4.439 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.152 2.892 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.530 4.030 -4.589 1.00 0.00 H new ATOM 0 HG SER A 83 9.860 4.285 -1.797 1.00 0.00 H new ATOM 1422 N HIS A 84 8.116 6.786 -3.499 1.00 0.00 N ATOM 1423 CA HIS A 84 8.095 8.169 -3.960 1.00 0.00 C ATOM 1424 C HIS A 84 8.798 8.306 -5.306 1.00 0.00 C ATOM 1425 O HIS A 84 8.458 9.172 -6.111 1.00 0.00 O ATOM 1426 CB HIS A 84 8.762 9.081 -2.928 1.00 0.00 C ATOM 1427 CG HIS A 84 8.349 10.516 -3.039 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.121 10.912 -3.528 1.00 0.00 N ATOM 1429 CD2 HIS A 84 9.011 11.654 -2.721 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.046 12.231 -3.506 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.178 12.705 -3.021 1.00 0.00 N ATOM 0 H HIS A 84 8.592 6.645 -2.608 1.00 0.00 H new ATOM 0 HA HIS A 84 7.054 8.469 -4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.523 8.719 -1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.844 9.013 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.007 11.723 -2.309 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.201 12.821 -3.830 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.399 13.692 -2.890 1.00 0.00 H new ATOM 1440 N SER A 85 9.782 7.445 -5.545 1.00 0.00 N ATOM 1441 CA SER A 85 10.533 7.469 -6.795 1.00 0.00 C ATOM 1442 C SER A 85 9.773 6.746 -7.904 1.00 0.00 C ATOM 1443 O SER A 85 9.974 7.024 -9.087 1.00 0.00 O ATOM 1444 CB SER A 85 11.908 6.829 -6.601 1.00 0.00 C ATOM 1445 OG SER A 85 12.759 7.668 -5.837 1.00 0.00 O ATOM 0 H SER A 85 10.078 6.722 -4.889 1.00 0.00 H new ATOM 0 HA SER A 85 10.663 8.510 -7.090 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.797 5.867 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.362 6.633 -7.573 1.00 0.00 H new ATOM 0 HG SER A 85 13.631 7.235 -5.726 1.00 0.00 H new ATOM 1451 N GLU A 86 8.903 5.820 -7.516 1.00 0.00 N ATOM 1452 CA GLU A 86 8.116 5.060 -8.481 1.00 0.00 C ATOM 1453 C GLU A 86 6.890 5.850 -8.930 1.00 0.00 C ATOM 1454 O GLU A 86 6.829 6.330 -10.061 1.00 0.00 O ATOM 1455 CB GLU A 86 7.685 3.721 -7.876 1.00 0.00 C ATOM 1456 CG GLU A 86 8.054 2.520 -8.731 1.00 0.00 C ATOM 1457 CD GLU A 86 6.917 2.073 -9.629 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.744 2.227 -9.224 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.197 1.570 -10.737 1.00 0.00 O ATOM 0 H GLU A 86 8.725 5.578 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 86 8.741 4.872 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.144 3.611 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.606 3.731 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.921 2.767 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.347 1.694 -8.083 1.00 0.00 H new ATOM 1466 N LEU A 87 5.916 5.979 -8.036 1.00 0.00 N ATOM 1467 CA LEU A 87 4.690 6.709 -8.339 1.00 0.00 C ATOM 1468 C LEU A 87 4.986 8.179 -8.615 1.00 0.00 C ATOM 1469 O LEU A 87 4.385 8.787 -9.502 1.00 0.00 O ATOM 1470 CB LEU A 87 3.698 6.586 -7.181 1.00 0.00 C ATOM 1471 CG LEU A 87 3.401 5.154 -6.732 1.00 0.00 C ATOM 1472 CD1 LEU A 87 4.292 4.766 -5.560 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.933 5.005 -6.359 1.00 0.00 C ATOM 0 H LEU A 87 5.951 5.587 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 87 4.249 6.271 -9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.086 7.144 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.761 7.061 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 87 3.614 4.482 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.067 3.744 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.338 4.833 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.110 5.443 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.740 3.980 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.694 5.688 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.312 5.240 -7.224 1.00 0.00 H new ATOM 1485 N PHE A 88 5.914 8.745 -7.852 1.00 0.00 N ATOM 1486 CA PHE A 88 6.289 10.145 -8.014 1.00 0.00 C ATOM 1487 C PHE A 88 7.691 10.268 -8.601 1.00 0.00 C ATOM 1488 O PHE A 88 8.102 11.405 -8.914 1.00 0.00 O ATOM 1489 CB PHE A 88 6.219 10.872 -6.671 1.00 0.00 C ATOM 1490 CG PHE A 88 4.865 11.444 -6.366 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.418 12.586 -7.013 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.036 10.839 -5.434 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.171 13.113 -6.737 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.789 11.363 -5.152 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.356 12.502 -5.804 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.367 9.228 -8.742 1.00 0.00 O ATOM 0 H PHE A 88 6.421 8.256 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 88 5.584 10.607 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.498 10.179 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.954 11.677 -6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.052 13.069 -7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.369 9.948 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.834 14.002 -7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.153 10.883 -4.423 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.382 12.914 -5.584 1.00 0.00 H new