USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00126 USER MOD Single : A 31 SER OG : rot 28:sc= 0.468! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.052) USER MOD Single : A 47 THR OG1 : rot 146:sc= 0.29 USER MOD Single : A 50 SER OG : rot -53:sc= 0.0972 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.134 F(o=-1.6,f=-0.13) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= -0.185 (180deg=-2.64) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= -0.326 K(o=-0.33,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-8!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 94 THR OG1 : rot 48:sc= 0.659 USER MOD Single : A 99 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.0047) USER MOD Single : A 102 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0543) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -2.164 -14.329 -21.989 1.00 0.00 N ATOM 2 CA GLY A 29 -0.795 -14.343 -21.508 1.00 0.00 C ATOM 3 C GLY A 29 -0.712 -14.469 -20.000 1.00 0.00 C ATOM 4 O GLY A 29 -1.727 -14.401 -19.307 1.00 0.00 O ATOM 0 HA2 GLY A 29 -0.260 -15.173 -21.969 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.294 -13.427 -21.821 1.00 0.00 H new ATOM 8 N SER A 30 0.501 -14.656 -19.489 1.00 0.00 N ATOM 9 CA SER A 30 0.712 -14.798 -18.054 1.00 0.00 C ATOM 10 C SER A 30 -0.238 -13.895 -17.273 1.00 0.00 C ATOM 11 O SER A 30 -0.070 -12.676 -17.244 1.00 0.00 O ATOM 12 CB SER A 30 2.162 -14.464 -17.695 1.00 0.00 C ATOM 13 OG SER A 30 3.068 -15.199 -18.499 1.00 0.00 O ATOM 0 H SER A 30 1.352 -14.713 -20.048 1.00 0.00 H new ATOM 0 HA SER A 30 0.507 -15.833 -17.782 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.336 -13.396 -17.828 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.340 -14.687 -16.643 1.00 0.00 H new ATOM 0 HG SER A 30 3.987 -14.967 -18.252 1.00 0.00 H new ATOM 19 N SER A 31 -1.236 -14.504 -16.641 1.00 0.00 N ATOM 20 CA SER A 31 -2.217 -13.756 -15.862 1.00 0.00 C ATOM 21 C SER A 31 -2.239 -14.233 -14.413 1.00 0.00 C ATOM 22 O SER A 31 -2.506 -15.402 -14.137 1.00 0.00 O ATOM 23 CB SER A 31 -3.608 -13.901 -16.480 1.00 0.00 C ATOM 24 OG SER A 31 -4.198 -15.139 -16.123 1.00 0.00 O ATOM 0 H SER A 31 -1.387 -15.513 -16.653 1.00 0.00 H new ATOM 0 HA SER A 31 -1.929 -12.705 -15.875 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.245 -13.082 -16.147 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.537 -13.828 -17.565 1.00 0.00 H new ATOM 0 HG SER A 31 -3.844 -15.432 -15.257 1.00 0.00 H new ATOM 30 N GLY A 32 -1.955 -13.319 -13.491 1.00 0.00 N ATOM 31 CA GLY A 32 -1.947 -13.665 -12.081 1.00 0.00 C ATOM 32 C GLY A 32 -1.979 -12.443 -11.184 1.00 0.00 C ATOM 33 O GLY A 32 -2.422 -11.372 -11.598 1.00 0.00 O ATOM 0 H GLY A 32 -1.730 -12.345 -13.695 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.807 -14.297 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.056 -14.252 -11.859 1.00 0.00 H new ATOM 37 N SER A 33 -1.509 -12.604 -9.951 1.00 0.00 N ATOM 38 CA SER A 33 -1.491 -11.506 -8.992 1.00 0.00 C ATOM 39 C SER A 33 -0.059 -11.137 -8.616 1.00 0.00 C ATOM 40 O SER A 33 0.585 -11.826 -7.825 1.00 0.00 O ATOM 41 CB SER A 33 -2.277 -11.886 -7.735 1.00 0.00 C ATOM 42 OG SER A 33 -3.670 -11.718 -7.935 1.00 0.00 O ATOM 0 H SER A 33 -1.136 -13.483 -9.593 1.00 0.00 H new ATOM 0 HA SER A 33 -1.961 -10.641 -9.459 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.067 -12.922 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.950 -11.270 -6.897 1.00 0.00 H new ATOM 0 HG SER A 33 -4.150 -11.969 -7.118 1.00 0.00 H new ATOM 48 N SER A 34 0.433 -10.044 -9.191 1.00 0.00 N ATOM 49 CA SER A 34 1.791 -9.584 -8.921 1.00 0.00 C ATOM 50 C SER A 34 1.808 -8.595 -7.759 1.00 0.00 C ATOM 51 O SER A 34 2.636 -8.696 -6.855 1.00 0.00 O ATOM 52 CB SER A 34 2.389 -8.932 -10.169 1.00 0.00 C ATOM 53 OG SER A 34 2.431 -9.846 -11.251 1.00 0.00 O ATOM 0 H SER A 34 -0.088 -9.461 -9.846 1.00 0.00 H new ATOM 0 HA SER A 34 2.394 -10.450 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.796 -8.061 -10.448 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.396 -8.576 -9.950 1.00 0.00 H new ATOM 0 HG SER A 34 2.816 -9.405 -12.037 1.00 0.00 H new ATOM 59 N GLY A 35 0.886 -7.637 -7.792 1.00 0.00 N ATOM 60 CA GLY A 35 0.811 -6.643 -6.737 1.00 0.00 C ATOM 61 C GLY A 35 0.008 -7.122 -5.544 1.00 0.00 C ATOM 62 O GLY A 35 -0.114 -8.325 -5.312 1.00 0.00 O ATOM 0 H GLY A 35 0.190 -7.532 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.819 -6.386 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.361 -5.732 -7.132 1.00 0.00 H new ATOM 66 N HIS A 36 -0.540 -6.179 -4.784 1.00 0.00 N ATOM 67 CA HIS A 36 -1.335 -6.511 -3.607 1.00 0.00 C ATOM 68 C HIS A 36 -2.807 -6.670 -3.973 1.00 0.00 C ATOM 69 O HIS A 36 -3.240 -6.249 -5.047 1.00 0.00 O ATOM 70 CB HIS A 36 -1.176 -5.431 -2.537 1.00 0.00 C ATOM 71 CG HIS A 36 0.195 -5.378 -1.938 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.469 -5.782 -0.648 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.374 -4.968 -2.460 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.756 -5.620 -0.402 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.329 -5.128 -1.486 1.00 0.00 N ATOM 0 H HIS A 36 -0.448 -5.179 -4.962 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.974 -7.460 -3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.410 -4.461 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.903 -5.607 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.534 -4.586 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.255 -5.851 0.527 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.319 -4.904 -1.584 1.00 0.00 H new ATOM 83 N LYS A 37 -3.573 -7.280 -3.075 1.00 0.00 N ATOM 84 CA LYS A 37 -4.997 -7.494 -3.302 1.00 0.00 C ATOM 85 C LYS A 37 -5.798 -6.244 -2.952 1.00 0.00 C ATOM 86 O LYS A 37 -6.561 -6.234 -1.985 1.00 0.00 O ATOM 87 CB LYS A 37 -5.494 -8.680 -2.473 1.00 0.00 C ATOM 88 CG LYS A 37 -5.154 -10.031 -3.079 1.00 0.00 C ATOM 89 CD LYS A 37 -5.665 -11.173 -2.217 1.00 0.00 C ATOM 90 CE LYS A 37 -7.178 -11.307 -2.308 1.00 0.00 C ATOM 91 NZ LYS A 37 -7.597 -12.046 -3.530 1.00 0.00 N ATOM 0 H LYS A 37 -3.231 -7.635 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.142 -7.712 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.062 -8.620 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.575 -8.604 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.589 -10.104 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.074 -10.117 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.197 -12.106 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.375 -11.005 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.550 -11.826 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.631 -10.316 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.634 -12.116 -3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.264 -11.538 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.186 -13.001 -3.516 1.00 0.00 H new ATOM 105 N PHE A 38 -5.621 -5.192 -3.744 1.00 0.00 N ATOM 106 CA PHE A 38 -6.328 -3.936 -3.517 1.00 0.00 C ATOM 107 C PHE A 38 -7.802 -4.068 -3.887 1.00 0.00 C ATOM 108 O PHE A 38 -8.144 -4.590 -4.948 1.00 0.00 O ATOM 109 CB PHE A 38 -5.685 -2.811 -4.329 1.00 0.00 C ATOM 110 CG PHE A 38 -4.353 -2.369 -3.792 1.00 0.00 C ATOM 111 CD1 PHE A 38 -4.267 -1.706 -2.578 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.189 -2.615 -4.501 1.00 0.00 C ATOM 113 CE1 PHE A 38 -3.043 -1.299 -2.081 1.00 0.00 C ATOM 114 CE2 PHE A 38 -1.963 -2.210 -4.009 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.890 -1.550 -2.797 1.00 0.00 C ATOM 0 H PHE A 38 -4.994 -5.184 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.258 -3.694 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.560 -3.143 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.361 -1.956 -4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.166 -1.505 -2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.240 -3.129 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.989 -0.785 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.063 -2.409 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.933 -1.231 -2.411 1.00 0.00 H new ATOM 125 N THR A 39 -8.673 -3.590 -3.003 1.00 0.00 N ATOM 126 CA THR A 39 -10.110 -3.655 -3.235 1.00 0.00 C ATOM 127 C THR A 39 -10.797 -2.368 -2.792 1.00 0.00 C ATOM 128 O THR A 39 -10.453 -1.793 -1.760 1.00 0.00 O ATOM 129 CB THR A 39 -10.746 -4.845 -2.491 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.136 -4.941 -2.819 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.584 -4.691 -0.986 1.00 0.00 C ATOM 0 H THR A 39 -8.408 -3.154 -2.120 1.00 0.00 H new ATOM 0 HA THR A 39 -10.251 -3.789 -4.307 1.00 0.00 H new ATOM 0 HB THR A 39 -10.236 -5.756 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.533 -5.701 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.041 -5.543 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.524 -4.647 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.071 -3.772 -0.660 1.00 0.00 H new ATOM 139 N ALA A 40 -11.770 -1.921 -3.579 1.00 0.00 N ATOM 140 CA ALA A 40 -12.507 -0.703 -3.266 1.00 0.00 C ATOM 141 C ALA A 40 -12.914 -0.670 -1.797 1.00 0.00 C ATOM 142 O ALA A 40 -13.679 -1.516 -1.335 1.00 0.00 O ATOM 143 CB ALA A 40 -13.735 -0.586 -4.158 1.00 0.00 C ATOM 0 H ALA A 40 -12.066 -2.384 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.852 0.147 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.276 0.328 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.425 -0.556 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.385 -1.446 -3.997 1.00 0.00 H new ATOM 149 N ARG A 41 -12.395 0.313 -1.067 1.00 0.00 N ATOM 150 CA ARG A 41 -12.703 0.455 0.351 1.00 0.00 C ATOM 151 C ARG A 41 -13.077 1.896 0.684 1.00 0.00 C ATOM 152 O ARG A 41 -12.372 2.834 0.311 1.00 0.00 O ATOM 153 CB ARG A 41 -11.508 0.017 1.200 1.00 0.00 C ATOM 154 CG ARG A 41 -11.677 0.306 2.683 1.00 0.00 C ATOM 155 CD ARG A 41 -12.467 -0.791 3.378 1.00 0.00 C ATOM 156 NE ARG A 41 -11.612 -1.897 3.802 1.00 0.00 N ATOM 157 CZ ARG A 41 -11.773 -2.554 4.945 1.00 0.00 C ATOM 158 NH1 ARG A 41 -12.752 -2.218 5.774 1.00 0.00 N ATOM 159 NH2 ARG A 41 -10.955 -3.549 5.261 1.00 0.00 N ATOM 0 H ARG A 41 -11.760 1.022 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.556 -0.185 0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.348 -1.052 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.612 0.522 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.697 0.402 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.186 1.261 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.978 -0.375 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.237 -1.166 2.704 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.850 -2.180 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.383 -1.454 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.874 -2.724 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.201 -3.811 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.080 -4.053 6.139 1.00 0.00 H new ATOM 173 N PHE A 42 -14.191 2.065 1.389 1.00 0.00 N ATOM 174 CA PHE A 42 -14.660 3.392 1.772 1.00 0.00 C ATOM 175 C PHE A 42 -13.888 3.914 2.980 1.00 0.00 C ATOM 176 O PHE A 42 -13.634 3.178 3.934 1.00 0.00 O ATOM 177 CB PHE A 42 -16.157 3.356 2.085 1.00 0.00 C ATOM 178 CG PHE A 42 -16.467 2.886 3.477 1.00 0.00 C ATOM 179 CD1 PHE A 42 -16.318 1.552 3.822 1.00 0.00 C ATOM 180 CD2 PHE A 42 -16.907 3.778 4.442 1.00 0.00 C ATOM 181 CE1 PHE A 42 -16.604 1.117 5.102 1.00 0.00 C ATOM 182 CE2 PHE A 42 -17.194 3.349 5.724 1.00 0.00 C ATOM 183 CZ PHE A 42 -17.041 2.017 6.055 1.00 0.00 C ATOM 0 H PHE A 42 -14.786 1.300 1.707 1.00 0.00 H new ATOM 0 HA PHE A 42 -14.488 4.067 0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.573 4.354 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.654 2.701 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.974 0.844 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.027 4.821 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.486 0.074 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.537 4.055 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.262 1.679 7.057 1.00 0.00 H new ATOM 193 N PHE A 43 -13.517 5.189 2.932 1.00 0.00 N ATOM 194 CA PHE A 43 -12.773 5.811 4.021 1.00 0.00 C ATOM 195 C PHE A 43 -13.314 7.205 4.324 1.00 0.00 C ATOM 196 O PHE A 43 -13.165 8.129 3.523 1.00 0.00 O ATOM 197 CB PHE A 43 -11.287 5.894 3.669 1.00 0.00 C ATOM 198 CG PHE A 43 -10.567 4.581 3.793 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.684 3.818 4.944 1.00 0.00 C ATOM 200 CD2 PHE A 43 -9.773 4.111 2.759 1.00 0.00 C ATOM 201 CE1 PHE A 43 -10.023 2.609 5.061 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.111 2.903 2.871 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.235 2.152 4.023 1.00 0.00 C ATOM 0 H PHE A 43 -13.720 5.812 2.150 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.895 5.193 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.184 6.261 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.808 6.625 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.298 4.172 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.670 4.695 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.123 2.023 5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.497 2.546 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.717 1.209 4.112 1.00 0.00 H new ATOM 213 N LYS A 44 -13.944 7.349 5.485 1.00 0.00 N ATOM 214 CA LYS A 44 -14.508 8.630 5.895 1.00 0.00 C ATOM 215 C LYS A 44 -13.405 9.642 6.185 1.00 0.00 C ATOM 216 O LYS A 44 -13.515 10.814 5.824 1.00 0.00 O ATOM 217 CB LYS A 44 -15.388 8.449 7.135 1.00 0.00 C ATOM 218 CG LYS A 44 -16.021 9.740 7.625 1.00 0.00 C ATOM 219 CD LYS A 44 -17.192 10.154 6.750 1.00 0.00 C ATOM 220 CE LYS A 44 -18.415 9.288 7.009 1.00 0.00 C ATOM 221 NZ LYS A 44 -19.140 9.707 8.240 1.00 0.00 N ATOM 0 H LYS A 44 -14.077 6.595 6.159 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.118 9.009 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.176 7.731 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.787 8.021 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.361 9.612 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.273 10.533 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.438 11.199 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.908 10.079 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.088 9.345 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.109 8.246 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.967 9.093 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.506 9.628 9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.455 10.693 8.139 1.00 0.00 H new ATOM 235 N GLN A 45 -12.342 9.182 6.837 1.00 0.00 N ATOM 236 CA GLN A 45 -11.219 10.049 7.174 1.00 0.00 C ATOM 237 C GLN A 45 -10.097 9.908 6.151 1.00 0.00 C ATOM 238 O GLN A 45 -9.976 8.895 5.461 1.00 0.00 O ATOM 239 CB GLN A 45 -10.694 9.719 8.572 1.00 0.00 C ATOM 240 CG GLN A 45 -9.835 8.466 8.620 1.00 0.00 C ATOM 241 CD GLN A 45 -9.797 7.837 9.999 1.00 0.00 C ATOM 242 OE1 GLN A 45 -8.724 7.605 10.558 1.00 0.00 O ATOM 243 NE2 GLN A 45 -10.969 7.558 10.556 1.00 0.00 N ATOM 0 H GLN A 45 -12.235 8.215 7.142 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.572 11.080 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.111 10.563 8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.540 9.596 9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.219 7.739 7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.820 8.714 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.834 7.767 10.057 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.005 7.134 11.483 1.00 0.00 H new ATOM 252 N PRO A 46 -9.255 10.947 6.048 1.00 0.00 N ATOM 253 CA PRO A 46 -8.127 10.963 5.111 1.00 0.00 C ATOM 254 C PRO A 46 -7.028 9.985 5.512 1.00 0.00 C ATOM 255 O PRO A 46 -6.078 10.352 6.205 1.00 0.00 O ATOM 256 CB PRO A 46 -7.618 12.404 5.194 1.00 0.00 C ATOM 257 CG PRO A 46 -8.036 12.877 6.543 1.00 0.00 C ATOM 258 CD PRO A 46 -9.338 12.186 6.839 1.00 0.00 C ATOM 0 HA PRO A 46 -8.425 10.659 4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.535 12.449 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.049 13.022 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.284 12.631 7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.157 13.960 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.449 11.977 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.192 12.795 6.543 1.00 0.00 H new ATOM 266 N THR A 47 -7.161 8.738 5.071 1.00 0.00 N ATOM 267 CA THR A 47 -6.179 7.707 5.383 1.00 0.00 C ATOM 268 C THR A 47 -4.783 8.123 4.934 1.00 0.00 C ATOM 269 O THR A 47 -4.630 8.904 3.995 1.00 0.00 O ATOM 270 CB THR A 47 -6.542 6.366 4.719 1.00 0.00 C ATOM 271 OG1 THR A 47 -7.879 5.992 5.068 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.576 5.272 5.147 1.00 0.00 C ATOM 0 H THR A 47 -7.940 8.417 4.496 1.00 0.00 H new ATOM 0 HA THR A 47 -6.186 7.581 6.466 1.00 0.00 H new ATOM 0 HB THR A 47 -6.471 6.490 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.293 5.519 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.852 4.334 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.563 5.546 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.620 5.151 6.229 1.00 0.00 H new ATOM 280 N PHE A 48 -3.768 7.597 5.610 1.00 0.00 N ATOM 281 CA PHE A 48 -2.383 7.914 5.280 1.00 0.00 C ATOM 282 C PHE A 48 -1.809 6.891 4.305 1.00 0.00 C ATOM 283 O PHE A 48 -1.772 5.694 4.593 1.00 0.00 O ATOM 284 CB PHE A 48 -1.531 7.959 6.550 1.00 0.00 C ATOM 285 CG PHE A 48 -0.129 8.442 6.315 1.00 0.00 C ATOM 286 CD1 PHE A 48 0.841 7.583 5.826 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.219 9.756 6.583 1.00 0.00 C ATOM 288 CE1 PHE A 48 2.133 8.024 5.607 1.00 0.00 C ATOM 289 CE2 PHE A 48 1.509 10.204 6.366 1.00 0.00 C ATOM 290 CZ PHE A 48 2.467 9.336 5.879 1.00 0.00 C ATOM 0 H PHE A 48 -3.878 6.949 6.390 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.364 8.894 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.014 8.610 7.279 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.494 6.962 6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.585 6.556 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.526 10.438 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.879 7.344 5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.767 11.231 6.577 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.476 9.683 5.711 1.00 0.00 H new ATOM 300 N CYS A 49 -1.361 7.370 3.149 1.00 0.00 N ATOM 301 CA CYS A 49 -0.789 6.500 2.129 1.00 0.00 C ATOM 302 C CYS A 49 0.621 6.062 2.516 1.00 0.00 C ATOM 303 O CYS A 49 1.523 6.888 2.652 1.00 0.00 O ATOM 304 CB CYS A 49 -0.760 7.214 0.777 1.00 0.00 C ATOM 305 SG CYS A 49 -0.196 6.168 -0.604 1.00 0.00 S ATOM 0 H CYS A 49 -1.383 8.358 2.895 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.417 5.613 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.760 7.585 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.106 8.083 0.851 1.00 0.00 H new ATOM 310 N SER A 50 0.802 4.757 2.692 1.00 0.00 N ATOM 311 CA SER A 50 2.100 4.210 3.067 1.00 0.00 C ATOM 312 C SER A 50 3.003 4.068 1.845 1.00 0.00 C ATOM 313 O SER A 50 3.750 3.097 1.720 1.00 0.00 O ATOM 314 CB SER A 50 1.927 2.850 3.747 1.00 0.00 C ATOM 315 OG SER A 50 3.093 2.488 4.468 1.00 0.00 O ATOM 0 H SER A 50 0.066 4.059 2.581 1.00 0.00 H new ATOM 0 HA SER A 50 2.570 4.901 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.073 2.884 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.709 2.090 2.997 1.00 0.00 H new ATOM 0 HG SER A 50 3.872 2.538 3.876 1.00 0.00 H new ATOM 321 N HIS A 51 2.929 5.044 0.946 1.00 0.00 N ATOM 322 CA HIS A 51 3.739 5.030 -0.267 1.00 0.00 C ATOM 323 C HIS A 51 4.366 6.398 -0.517 1.00 0.00 C ATOM 324 O HIS A 51 5.576 6.512 -0.716 1.00 0.00 O ATOM 325 CB HIS A 51 2.889 4.618 -1.469 1.00 0.00 C ATOM 326 CG HIS A 51 3.584 4.797 -2.783 1.00 0.00 C ATOM 327 ND1 HIS A 51 3.724 5.891 -3.568 1.00 0.00 N flip ATOM 328 CD2 HIS A 51 4.237 3.772 -3.436 1.00 0.00 C flip ATOM 329 CE1 HIS A 51 4.453 5.511 -4.669 1.00 0.00 C flip ATOM 330 NE2 HIS A 51 4.750 4.229 -4.565 1.00 0.00 N flip ATOM 0 H HIS A 51 2.316 5.855 1.034 1.00 0.00 H new ATOM 0 HA HIS A 51 4.539 4.302 -0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.601 3.572 -1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 51 1.969 5.203 -1.471 1.00 0.00 H new ATOM 0 HD1 HIS A 51 3.357 6.823 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.317 2.755 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.737 6.157 -5.487 1.00 0.00 H new ATOM 338 N CYS A 52 3.535 7.435 -0.508 1.00 0.00 N ATOM 339 CA CYS A 52 4.006 8.796 -0.735 1.00 0.00 C ATOM 340 C CYS A 52 3.695 9.687 0.464 1.00 0.00 C ATOM 341 O CYS A 52 3.509 10.896 0.323 1.00 0.00 O ATOM 342 CB CYS A 52 3.363 9.377 -1.996 1.00 0.00 C ATOM 343 SG CYS A 52 1.542 9.338 -1.987 1.00 0.00 S ATOM 0 H CYS A 52 2.531 7.358 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 52 5.087 8.762 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.693 10.409 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.723 8.823 -2.863 1.00 0.00 H new ATOM 348 N THR A 53 3.639 9.081 1.646 1.00 0.00 N ATOM 349 CA THR A 53 3.350 9.817 2.870 1.00 0.00 C ATOM 350 C THR A 53 2.365 10.952 2.609 1.00 0.00 C ATOM 351 O THR A 53 2.609 12.097 2.989 1.00 0.00 O ATOM 352 CB THR A 53 4.633 10.400 3.492 1.00 0.00 C ATOM 353 OG1 THR A 53 5.329 11.194 2.525 1.00 0.00 O ATOM 354 CG2 THR A 53 5.544 9.289 3.994 1.00 0.00 C ATOM 0 H THR A 53 3.790 8.081 1.781 1.00 0.00 H new ATOM 0 HA THR A 53 2.907 9.107 3.568 1.00 0.00 H new ATOM 0 HB THR A 53 4.349 11.025 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.143 11.562 2.929 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.443 9.725 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.021 8.704 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.820 8.641 3.162 1.00 0.00 H new ATOM 362 N ASP A 54 1.253 10.625 1.961 1.00 0.00 N ATOM 363 CA ASP A 54 0.230 11.617 1.651 1.00 0.00 C ATOM 364 C ASP A 54 -1.145 11.140 2.107 1.00 0.00 C ATOM 365 O ASP A 54 -1.399 9.939 2.198 1.00 0.00 O ATOM 366 CB ASP A 54 0.210 11.909 0.149 1.00 0.00 C ATOM 367 CG ASP A 54 1.179 13.008 -0.240 1.00 0.00 C ATOM 368 OD1 ASP A 54 1.314 13.980 0.532 1.00 0.00 O ATOM 369 OD2 ASP A 54 1.802 12.896 -1.317 1.00 0.00 O ATOM 0 H ASP A 54 1.037 9.681 1.640 1.00 0.00 H new ATOM 0 HA ASP A 54 0.474 12.534 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.458 11.000 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.799 12.196 -0.149 1.00 0.00 H new ATOM 374 N PHE A 55 -2.030 12.089 2.394 1.00 0.00 N ATOM 375 CA PHE A 55 -3.379 11.766 2.843 1.00 0.00 C ATOM 376 C PHE A 55 -4.222 11.227 1.691 1.00 0.00 C ATOM 377 O PHE A 55 -3.937 11.493 0.523 1.00 0.00 O ATOM 378 CB PHE A 55 -4.049 13.004 3.444 1.00 0.00 C ATOM 379 CG PHE A 55 -3.443 13.441 4.747 1.00 0.00 C ATOM 380 CD1 PHE A 55 -3.887 12.909 5.947 1.00 0.00 C ATOM 381 CD2 PHE A 55 -2.427 14.383 4.771 1.00 0.00 C ATOM 382 CE1 PHE A 55 -3.331 13.311 7.146 1.00 0.00 C ATOM 383 CE2 PHE A 55 -1.867 14.788 5.968 1.00 0.00 C ATOM 384 CZ PHE A 55 -2.318 14.250 7.157 1.00 0.00 C ATOM 0 H PHE A 55 -1.837 13.088 2.324 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.305 10.993 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.985 13.825 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.108 12.796 3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.676 12.172 5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.069 14.806 3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.688 12.891 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.077 15.525 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.880 14.563 8.093 1.00 0.00 H new ATOM 394 N ILE A 56 -5.258 10.468 2.029 1.00 0.00 N ATOM 395 CA ILE A 56 -6.142 9.891 1.023 1.00 0.00 C ATOM 396 C ILE A 56 -7.579 10.363 1.220 1.00 0.00 C ATOM 397 O ILE A 56 -8.328 9.790 2.011 1.00 0.00 O ATOM 398 CB ILE A 56 -6.109 8.352 1.060 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.682 7.846 0.844 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.046 7.777 0.009 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.440 6.461 1.404 1.00 0.00 C ATOM 0 H ILE A 56 -5.506 10.238 2.991 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.780 10.230 0.052 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.448 8.019 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.465 7.840 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.984 8.543 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.012 6.688 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.064 8.115 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.735 8.115 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.408 6.167 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.625 6.466 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.113 5.751 0.923 1.00 0.00 H new ATOM 413 N TRP A 57 -7.958 11.407 0.493 1.00 0.00 N ATOM 414 CA TRP A 57 -9.306 11.955 0.586 1.00 0.00 C ATOM 415 C TRP A 57 -9.741 12.561 -0.744 1.00 0.00 C ATOM 416 O TRP A 57 -8.908 12.910 -1.579 1.00 0.00 O ATOM 417 CB TRP A 57 -9.375 13.012 1.689 1.00 0.00 C ATOM 418 CG TRP A 57 -8.838 14.346 1.267 1.00 0.00 C ATOM 419 CD1 TRP A 57 -9.546 15.505 1.119 1.00 0.00 C ATOM 420 CD2 TRP A 57 -7.480 14.658 0.937 1.00 0.00 C ATOM 421 NE1 TRP A 57 -8.709 16.518 0.717 1.00 0.00 N ATOM 422 CE2 TRP A 57 -7.437 16.025 0.599 1.00 0.00 C ATOM 423 CE3 TRP A 57 -6.297 13.917 0.897 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -6.257 16.662 0.225 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -5.126 14.550 0.525 1.00 0.00 C ATOM 426 CH2 TRP A 57 -5.113 15.912 0.194 1.00 0.00 C ATOM 0 H TRP A 57 -7.351 11.892 -0.168 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.986 11.139 0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.411 13.129 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.815 12.660 2.555 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -10.607 15.610 1.292 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.990 17.482 0.536 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -6.297 12.868 1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.245 17.711 -0.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.206 13.986 0.489 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.182 16.379 -0.091 1.00 0.00 H new ATOM 437 N GLY A 58 -11.051 12.683 -0.935 1.00 0.00 N ATOM 438 CA GLY A 58 -11.572 13.248 -2.166 1.00 0.00 C ATOM 439 C GLY A 58 -12.724 12.441 -2.731 1.00 0.00 C ATOM 440 O GLY A 58 -12.940 11.294 -2.338 1.00 0.00 O ATOM 0 H GLY A 58 -11.761 12.401 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.904 14.270 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.772 13.301 -2.905 1.00 0.00 H new ATOM 444 N ILE A 59 -13.468 13.041 -3.655 1.00 0.00 N ATOM 445 CA ILE A 59 -14.604 12.371 -4.274 1.00 0.00 C ATOM 446 C ILE A 59 -14.147 11.203 -5.142 1.00 0.00 C ATOM 447 O ILE A 59 -13.552 11.399 -6.201 1.00 0.00 O ATOM 448 CB ILE A 59 -15.430 13.344 -5.136 1.00 0.00 C ATOM 449 CG1 ILE A 59 -15.970 14.489 -4.276 1.00 0.00 C ATOM 450 CG2 ILE A 59 -16.570 12.606 -5.823 1.00 0.00 C ATOM 451 CD1 ILE A 59 -16.258 15.750 -5.060 1.00 0.00 C ATOM 0 H ILE A 59 -13.304 13.990 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.229 11.996 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.782 13.766 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -16.885 14.161 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -15.248 14.715 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -17.145 13.307 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -16.163 11.823 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -17.220 12.159 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.638 16.518 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.341 16.102 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -17.003 15.539 -5.827 1.00 0.00 H new ATOM 463 N GLY A 60 -14.432 9.987 -4.686 1.00 0.00 N ATOM 464 CA GLY A 60 -14.045 8.805 -5.434 1.00 0.00 C ATOM 465 C GLY A 60 -13.216 7.842 -4.607 1.00 0.00 C ATOM 466 O GLY A 60 -12.577 8.239 -3.632 1.00 0.00 O ATOM 0 H GLY A 60 -14.924 9.799 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.940 8.295 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.477 9.106 -6.314 1.00 0.00 H new ATOM 470 N LYS A 61 -13.227 6.571 -4.995 1.00 0.00 N ATOM 471 CA LYS A 61 -12.471 5.547 -4.283 1.00 0.00 C ATOM 472 C LYS A 61 -11.008 5.553 -4.714 1.00 0.00 C ATOM 473 O LYS A 61 -10.636 4.897 -5.686 1.00 0.00 O ATOM 474 CB LYS A 61 -13.082 4.167 -4.534 1.00 0.00 C ATOM 475 CG LYS A 61 -14.557 4.081 -4.181 1.00 0.00 C ATOM 476 CD LYS A 61 -14.962 2.662 -3.820 1.00 0.00 C ATOM 477 CE LYS A 61 -14.647 2.345 -2.367 1.00 0.00 C ATOM 478 NZ LYS A 61 -15.427 3.201 -1.431 1.00 0.00 N ATOM 0 H LYS A 61 -13.751 6.225 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.518 5.770 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.953 3.907 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.534 3.425 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.771 4.746 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.155 4.428 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.029 2.530 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.441 1.958 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.867 1.296 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.581 2.487 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.673 2.653 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.856 4.026 -1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.298 3.523 -1.899 1.00 0.00 H new ATOM 492 N GLN A 62 -10.183 6.297 -3.984 1.00 0.00 N ATOM 493 CA GLN A 62 -8.761 6.387 -4.291 1.00 0.00 C ATOM 494 C GLN A 62 -7.933 5.618 -3.266 1.00 0.00 C ATOM 495 O GLN A 62 -6.735 5.408 -3.452 1.00 0.00 O ATOM 496 CB GLN A 62 -8.317 7.850 -4.329 1.00 0.00 C ATOM 497 CG GLN A 62 -7.126 8.101 -5.240 1.00 0.00 C ATOM 498 CD GLN A 62 -7.521 8.221 -6.698 1.00 0.00 C ATOM 499 OE1 GLN A 62 -8.666 7.957 -7.067 1.00 0.00 O ATOM 500 NE2 GLN A 62 -6.574 8.623 -7.538 1.00 0.00 N ATOM 0 H GLN A 62 -10.475 6.846 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.598 5.940 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.153 8.466 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.065 8.171 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.621 9.015 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.410 7.287 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.638 8.831 -7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.783 8.723 -8.531 1.00 0.00 H new ATOM 509 N GLY A 63 -8.580 5.202 -2.182 1.00 0.00 N ATOM 510 CA GLY A 63 -7.888 4.462 -1.143 1.00 0.00 C ATOM 511 C GLY A 63 -8.216 2.982 -1.169 1.00 0.00 C ATOM 512 O GLY A 63 -9.354 2.586 -0.915 1.00 0.00 O ATOM 0 H GLY A 63 -9.571 5.364 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.813 4.595 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.155 4.873 -0.169 1.00 0.00 H new ATOM 516 N LEU A 64 -7.217 2.162 -1.478 1.00 0.00 N ATOM 517 CA LEU A 64 -7.405 0.717 -1.537 1.00 0.00 C ATOM 518 C LEU A 64 -6.598 0.018 -0.448 1.00 0.00 C ATOM 519 O LEU A 64 -5.368 0.062 -0.448 1.00 0.00 O ATOM 520 CB LEU A 64 -6.994 0.186 -2.912 1.00 0.00 C ATOM 521 CG LEU A 64 -7.568 0.930 -4.118 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.757 0.626 -5.368 1.00 0.00 C ATOM 523 CD2 LEU A 64 -9.030 0.562 -4.325 1.00 0.00 C ATOM 0 H LEU A 64 -6.269 2.473 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.462 0.506 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.906 0.211 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.293 -0.860 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.508 2.001 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.180 1.164 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.724 0.941 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.784 -0.445 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.422 1.101 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.114 -0.511 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.602 0.832 -3.438 1.00 0.00 H new ATOM 535 N GLN A 65 -7.300 -0.629 0.478 1.00 0.00 N ATOM 536 CA GLN A 65 -6.648 -1.339 1.572 1.00 0.00 C ATOM 537 C GLN A 65 -6.460 -2.813 1.229 1.00 0.00 C ATOM 538 O GLN A 65 -7.427 -3.528 0.964 1.00 0.00 O ATOM 539 CB GLN A 65 -7.468 -1.203 2.856 1.00 0.00 C ATOM 540 CG GLN A 65 -6.715 -1.627 4.107 1.00 0.00 C ATOM 541 CD GLN A 65 -7.203 -0.913 5.352 1.00 0.00 C ATOM 542 OE1 GLN A 65 -8.364 -0.512 5.437 1.00 0.00 O ATOM 543 NE2 GLN A 65 -6.317 -0.751 6.328 1.00 0.00 N ATOM 0 H GLN A 65 -8.319 -0.676 0.492 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.666 -0.893 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.785 -0.166 2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.372 -1.805 2.765 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.823 -2.703 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.652 -1.428 3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.365 -1.099 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.589 -0.278 7.190 1.00 0.00 H new ATOM 552 N CYS A 66 -5.209 -3.262 1.236 1.00 0.00 N ATOM 553 CA CYS A 66 -4.893 -4.651 0.924 1.00 0.00 C ATOM 554 C CYS A 66 -5.513 -5.593 1.952 1.00 0.00 C ATOM 555 O CYS A 66 -5.372 -5.391 3.158 1.00 0.00 O ATOM 556 CB CYS A 66 -3.377 -4.853 0.880 1.00 0.00 C ATOM 557 SG CYS A 66 -2.865 -6.567 0.536 1.00 0.00 S ATOM 0 H CYS A 66 -4.398 -2.684 1.454 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.312 -4.883 -0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.956 -4.199 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.952 -4.543 1.835 1.00 0.00 H new ATOM 562 N GLN A 67 -6.198 -6.622 1.465 1.00 0.00 N ATOM 563 CA GLN A 67 -6.840 -7.595 2.341 1.00 0.00 C ATOM 564 C GLN A 67 -5.848 -8.664 2.786 1.00 0.00 C ATOM 565 O GLN A 67 -6.224 -9.809 3.040 1.00 0.00 O ATOM 566 CB GLN A 67 -8.027 -8.249 1.630 1.00 0.00 C ATOM 567 CG GLN A 67 -9.010 -7.249 1.045 1.00 0.00 C ATOM 568 CD GLN A 67 -10.399 -7.831 0.868 1.00 0.00 C ATOM 569 OE1 GLN A 67 -11.177 -7.909 1.819 1.00 0.00 O ATOM 570 NE2 GLN A 67 -10.718 -8.243 -0.353 1.00 0.00 N ATOM 0 H GLN A 67 -6.323 -6.804 0.469 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.200 -7.068 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.654 -8.889 0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.553 -8.893 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.066 -6.377 1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.639 -6.903 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.042 -8.159 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.639 -8.643 -0.532 1.00 0.00 H new ATOM 579 N VAL A 68 -4.577 -8.284 2.878 1.00 0.00 N ATOM 580 CA VAL A 68 -3.530 -9.210 3.294 1.00 0.00 C ATOM 581 C VAL A 68 -2.640 -8.588 4.364 1.00 0.00 C ATOM 582 O VAL A 68 -2.583 -9.069 5.496 1.00 0.00 O ATOM 583 CB VAL A 68 -2.656 -9.641 2.101 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.661 -10.709 2.526 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.526 -10.135 0.955 1.00 0.00 C ATOM 0 H VAL A 68 -4.248 -7.341 2.670 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.028 -10.088 3.706 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.094 -8.775 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.053 -11.001 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.017 -10.314 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.199 -11.579 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.892 -10.435 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.116 -10.989 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.194 -9.335 0.634 1.00 0.00 H new ATOM 595 N CYS A 69 -1.945 -7.516 3.998 1.00 0.00 N ATOM 596 CA CYS A 69 -1.056 -6.827 4.926 1.00 0.00 C ATOM 597 C CYS A 69 -1.631 -5.471 5.324 1.00 0.00 C ATOM 598 O CYS A 69 -0.894 -4.554 5.684 1.00 0.00 O ATOM 599 CB CYS A 69 0.327 -6.642 4.298 1.00 0.00 C ATOM 600 SG CYS A 69 0.300 -5.836 2.665 1.00 0.00 S ATOM 0 H CYS A 69 -1.980 -7.106 3.065 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.962 -7.440 5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.945 -6.050 4.973 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.804 -7.617 4.202 1.00 0.00 H new ATOM 605 N SER A 70 -2.954 -5.352 5.257 1.00 0.00 N ATOM 606 CA SER A 70 -3.628 -4.108 5.607 1.00 0.00 C ATOM 607 C SER A 70 -2.907 -2.909 4.998 1.00 0.00 C ATOM 608 O SER A 70 -2.956 -1.802 5.535 1.00 0.00 O ATOM 609 CB SER A 70 -3.703 -3.954 7.127 1.00 0.00 C ATOM 610 OG SER A 70 -4.400 -5.038 7.715 1.00 0.00 O ATOM 0 H SER A 70 -3.579 -6.102 4.963 1.00 0.00 H new ATOM 0 HA SER A 70 -4.639 -4.146 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.696 -3.898 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.203 -3.018 7.377 1.00 0.00 H new ATOM 0 HG SER A 70 -4.433 -4.917 8.687 1.00 0.00 H new ATOM 616 N PHE A 71 -2.238 -3.138 3.873 1.00 0.00 N ATOM 617 CA PHE A 71 -1.505 -2.078 3.190 1.00 0.00 C ATOM 618 C PHE A 71 -2.446 -1.223 2.346 1.00 0.00 C ATOM 619 O PHE A 71 -2.902 -1.646 1.284 1.00 0.00 O ATOM 620 CB PHE A 71 -0.409 -2.676 2.305 1.00 0.00 C ATOM 621 CG PHE A 71 0.404 -1.643 1.578 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.414 -0.953 2.229 1.00 0.00 C ATOM 623 CD2 PHE A 71 0.159 -1.362 0.243 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.163 -0.002 1.563 1.00 0.00 C ATOM 625 CE2 PHE A 71 0.905 -0.412 -0.428 1.00 0.00 C ATOM 626 CZ PHE A 71 1.909 0.268 0.232 1.00 0.00 C ATOM 0 H PHE A 71 -2.188 -4.048 3.415 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.045 -1.442 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.255 -3.281 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.866 -3.346 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.618 -1.161 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.624 -1.892 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.946 0.530 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.703 -0.202 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.495 1.009 -0.291 1.00 0.00 H new ATOM 636 N VAL A 72 -2.731 -0.017 2.827 1.00 0.00 N ATOM 637 CA VAL A 72 -3.617 0.899 2.119 1.00 0.00 C ATOM 638 C VAL A 72 -2.829 2.025 1.460 1.00 0.00 C ATOM 639 O VAL A 72 -2.018 2.690 2.105 1.00 0.00 O ATOM 640 CB VAL A 72 -4.669 1.508 3.065 1.00 0.00 C ATOM 641 CG1 VAL A 72 -3.993 2.272 4.194 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.620 2.410 2.294 1.00 0.00 C ATOM 0 H VAL A 72 -2.361 0.348 3.704 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.126 0.317 1.351 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.250 0.697 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.752 2.695 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.357 1.594 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.385 3.075 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.356 2.832 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.057 3.217 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.130 1.829 1.525 1.00 0.00 H new ATOM 652 N VAL A 73 -3.073 2.235 0.170 1.00 0.00 N ATOM 653 CA VAL A 73 -2.388 3.282 -0.577 1.00 0.00 C ATOM 654 C VAL A 73 -3.236 3.767 -1.748 1.00 0.00 C ATOM 655 O VAL A 73 -4.100 3.043 -2.244 1.00 0.00 O ATOM 656 CB VAL A 73 -1.028 2.794 -1.111 1.00 0.00 C ATOM 657 CG1 VAL A 73 -0.106 2.420 0.040 1.00 0.00 C ATOM 658 CG2 VAL A 73 -1.218 1.617 -2.055 1.00 0.00 C ATOM 0 H VAL A 73 -3.740 1.693 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.223 4.107 0.116 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.563 3.607 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.850 2.078 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.055 3.291 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.562 1.623 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.247 1.285 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.704 0.799 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.840 1.922 -2.897 1.00 0.00 H new ATOM 668 N HIS A 74 -2.983 4.996 -2.186 1.00 0.00 N ATOM 669 CA HIS A 74 -3.723 5.578 -3.300 1.00 0.00 C ATOM 670 C HIS A 74 -4.002 4.530 -4.373 1.00 0.00 C ATOM 671 O HIS A 74 -3.324 3.505 -4.444 1.00 0.00 O ATOM 672 CB HIS A 74 -2.943 6.747 -3.903 1.00 0.00 C ATOM 673 CG HIS A 74 -2.806 7.916 -2.977 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.586 8.432 -2.591 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.744 8.672 -2.360 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.781 9.453 -1.776 1.00 0.00 C ATOM 677 NE2 HIS A 74 -3.082 9.620 -1.620 1.00 0.00 N ATOM 0 H HIS A 74 -2.271 5.608 -1.787 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.676 5.945 -2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.949 6.402 -4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.441 7.073 -4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.815 8.552 -2.436 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.008 10.050 -1.315 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.523 10.337 -1.044 1.00 0.00 H new ATOM 685 N ARG A 75 -5.003 4.795 -5.206 1.00 0.00 N ATOM 686 CA ARG A 75 -5.373 3.874 -6.274 1.00 0.00 C ATOM 687 C ARG A 75 -4.233 3.718 -7.276 1.00 0.00 C ATOM 688 O ARG A 75 -3.912 2.608 -7.699 1.00 0.00 O ATOM 689 CB ARG A 75 -6.631 4.368 -6.989 1.00 0.00 C ATOM 690 CG ARG A 75 -7.451 3.253 -7.620 1.00 0.00 C ATOM 691 CD ARG A 75 -8.292 3.767 -8.778 1.00 0.00 C ATOM 692 NE ARG A 75 -8.653 2.700 -9.707 1.00 0.00 N ATOM 693 CZ ARG A 75 -9.524 1.739 -9.420 1.00 0.00 C ATOM 694 NH1 ARG A 75 -10.121 1.712 -8.237 1.00 0.00 N ATOM 695 NH2 ARG A 75 -9.801 0.803 -10.319 1.00 0.00 N ATOM 0 H ARG A 75 -5.572 5.640 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.576 2.901 -5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.255 4.908 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.343 5.079 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.785 2.466 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.101 2.807 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.198 4.232 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.740 4.541 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.212 2.692 -10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.912 2.431 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.789 0.973 -8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.345 0.821 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.470 0.065 -10.098 1.00 0.00 H new ATOM 709 N ARG A 76 -3.626 4.839 -7.653 1.00 0.00 N ATOM 710 CA ARG A 76 -2.523 4.828 -8.606 1.00 0.00 C ATOM 711 C ARG A 76 -1.246 4.305 -7.955 1.00 0.00 C ATOM 712 O ARG A 76 -0.513 3.513 -8.548 1.00 0.00 O ATOM 713 CB ARG A 76 -2.286 6.233 -9.162 1.00 0.00 C ATOM 714 CG ARG A 76 -2.045 7.280 -8.087 1.00 0.00 C ATOM 715 CD ARG A 76 -1.611 8.607 -8.689 1.00 0.00 C ATOM 716 NE ARG A 76 -0.847 9.415 -7.742 1.00 0.00 N ATOM 717 CZ ARG A 76 -0.013 10.383 -8.107 1.00 0.00 C ATOM 718 NH1 ARG A 76 0.163 10.662 -9.391 1.00 0.00 N ATOM 719 NH2 ARG A 76 0.646 11.073 -7.186 1.00 0.00 N ATOM 0 H ARG A 76 -3.880 5.766 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.792 4.161 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.427 6.209 -9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.149 6.529 -9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.956 7.423 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.280 6.925 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.007 8.422 -9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.491 9.163 -9.012 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.960 9.226 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.342 10.133 -10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.804 11.406 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.513 10.861 -6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.286 11.816 -7.466 1.00 0.00 H new ATOM 733 N CYS A 77 -0.986 4.753 -6.732 1.00 0.00 N ATOM 734 CA CYS A 77 0.202 4.333 -5.999 1.00 0.00 C ATOM 735 C CYS A 77 0.326 2.812 -5.991 1.00 0.00 C ATOM 736 O CYS A 77 1.429 2.268 -5.928 1.00 0.00 O ATOM 737 CB CYS A 77 0.155 4.859 -4.563 1.00 0.00 C ATOM 738 SG CYS A 77 0.626 6.611 -4.398 1.00 0.00 S ATOM 0 H CYS A 77 -1.583 5.408 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 77 1.075 4.749 -6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.854 4.726 -4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.819 4.255 -3.944 1.00 0.00 H new ATOM 743 N HIS A 78 -0.813 2.130 -6.055 1.00 0.00 N ATOM 744 CA HIS A 78 -0.833 0.672 -6.056 1.00 0.00 C ATOM 745 C HIS A 78 0.171 0.116 -7.062 1.00 0.00 C ATOM 746 O HIS A 78 1.109 -0.588 -6.691 1.00 0.00 O ATOM 747 CB HIS A 78 -2.236 0.160 -6.383 1.00 0.00 C ATOM 748 CG HIS A 78 -2.241 -1.140 -7.127 1.00 0.00 C ATOM 749 ND1 HIS A 78 -1.292 -2.121 -6.935 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.090 -1.619 -8.067 1.00 0.00 C ATOM 751 CE1 HIS A 78 -1.555 -3.146 -7.725 1.00 0.00 C ATOM 752 NE2 HIS A 78 -2.641 -2.867 -8.423 1.00 0.00 N ATOM 0 H HIS A 78 -1.735 2.564 -6.107 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.552 0.329 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.796 0.040 -5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.759 0.911 -6.976 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.958 -1.114 -8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.980 -4.058 -7.789 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -3.075 -3.479 -9.114 1.00 0.00 H new ATOM 760 N GLU A 79 -0.035 0.436 -8.336 1.00 0.00 N ATOM 761 CA GLU A 79 0.852 -0.033 -9.394 1.00 0.00 C ATOM 762 C GLU A 79 2.294 0.385 -9.120 1.00 0.00 C ATOM 763 O GLU A 79 3.234 -0.348 -9.430 1.00 0.00 O ATOM 764 CB GLU A 79 0.399 0.513 -10.749 1.00 0.00 C ATOM 765 CG GLU A 79 0.375 2.031 -10.816 1.00 0.00 C ATOM 766 CD GLU A 79 0.575 2.556 -12.225 1.00 0.00 C ATOM 767 OE1 GLU A 79 -0.093 2.044 -13.148 1.00 0.00 O ATOM 768 OE2 GLU A 79 1.398 3.477 -12.404 1.00 0.00 O ATOM 0 H GLU A 79 -0.808 1.018 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 79 0.806 -1.122 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.064 0.134 -11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.598 0.132 -10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.578 2.393 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.155 2.432 -10.169 1.00 0.00 H new ATOM 775 N PHE A 80 2.461 1.568 -8.539 1.00 0.00 N ATOM 776 CA PHE A 80 3.787 2.085 -8.225 1.00 0.00 C ATOM 777 C PHE A 80 4.452 1.252 -7.133 1.00 0.00 C ATOM 778 O PHE A 80 5.655 0.995 -7.178 1.00 0.00 O ATOM 779 CB PHE A 80 3.696 3.547 -7.782 1.00 0.00 C ATOM 780 CG PHE A 80 3.590 4.515 -8.926 1.00 0.00 C ATOM 781 CD1 PHE A 80 4.566 4.556 -9.908 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.515 5.383 -9.018 1.00 0.00 C ATOM 783 CE1 PHE A 80 4.472 5.445 -10.962 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.414 6.274 -10.070 1.00 0.00 C ATOM 785 CZ PHE A 80 3.395 6.306 -11.043 1.00 0.00 C ATOM 0 H PHE A 80 1.694 2.187 -8.276 1.00 0.00 H new ATOM 0 HA PHE A 80 4.396 2.023 -9.127 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.829 3.668 -7.133 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.576 3.794 -7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.410 3.885 -9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.747 5.364 -8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.240 5.466 -11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.569 6.944 -10.132 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.320 7.003 -11.865 1.00 0.00 H new ATOM 795 N VAL A 81 3.659 0.832 -6.153 1.00 0.00 N ATOM 796 CA VAL A 81 4.169 0.026 -5.049 1.00 0.00 C ATOM 797 C VAL A 81 5.115 -1.059 -5.552 1.00 0.00 C ATOM 798 O VAL A 81 4.718 -1.939 -6.317 1.00 0.00 O ATOM 799 CB VAL A 81 3.023 -0.633 -4.259 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.577 -1.541 -3.172 1.00 0.00 C ATOM 801 CG2 VAL A 81 2.108 0.428 -3.664 1.00 0.00 C ATOM 0 H VAL A 81 2.661 1.036 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 81 4.714 0.701 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 81 2.436 -1.244 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.753 -1.998 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.188 -2.321 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.188 -0.955 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.304 -0.055 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.681 1.066 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.684 1.033 -4.465 1.00 0.00 H new ATOM 811 N THR A 82 6.369 -0.991 -5.116 1.00 0.00 N ATOM 812 CA THR A 82 7.373 -1.967 -5.522 1.00 0.00 C ATOM 813 C THR A 82 7.443 -3.126 -4.534 1.00 0.00 C ATOM 814 O THR A 82 7.722 -4.263 -4.915 1.00 0.00 O ATOM 815 CB THR A 82 8.767 -1.323 -5.641 1.00 0.00 C ATOM 816 OG1 THR A 82 9.149 -0.747 -4.386 1.00 0.00 O ATOM 817 CG2 THR A 82 8.778 -0.252 -6.721 1.00 0.00 C ATOM 0 H THR A 82 6.714 -0.270 -4.482 1.00 0.00 H new ATOM 0 HA THR A 82 7.071 -2.344 -6.499 1.00 0.00 H new ATOM 0 HB THR A 82 9.480 -2.100 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.037 -0.341 -4.469 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.773 0.188 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.515 -0.699 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.054 0.523 -6.472 1.00 0.00 H new ATOM 825 N PHE A 83 7.188 -2.831 -3.264 1.00 0.00 N ATOM 826 CA PHE A 83 7.223 -3.849 -2.221 1.00 0.00 C ATOM 827 C PHE A 83 6.272 -4.996 -2.548 1.00 0.00 C ATOM 828 O PHE A 83 5.167 -4.777 -3.043 1.00 0.00 O ATOM 829 CB PHE A 83 6.855 -3.237 -0.868 1.00 0.00 C ATOM 830 CG PHE A 83 6.574 -4.259 0.196 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.587 -5.067 0.685 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.295 -4.412 0.707 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.332 -6.008 1.664 1.00 0.00 C ATOM 834 CE2 PHE A 83 5.033 -5.351 1.687 1.00 0.00 C ATOM 835 CZ PHE A 83 6.053 -6.151 2.165 1.00 0.00 C ATOM 0 H PHE A 83 6.955 -1.895 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 83 8.237 -4.245 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.669 -2.593 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.977 -2.603 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.589 -4.960 0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.494 -3.790 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.132 -6.631 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.032 -5.459 2.079 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.850 -6.887 2.929 1.00 0.00 H new ATOM 845 N GLU A 84 6.710 -6.220 -2.269 1.00 0.00 N ATOM 846 CA GLU A 84 5.898 -7.401 -2.535 1.00 0.00 C ATOM 847 C GLU A 84 5.085 -7.791 -1.304 1.00 0.00 C ATOM 848 O GLU A 84 5.579 -7.739 -0.177 1.00 0.00 O ATOM 849 CB GLU A 84 6.786 -8.571 -2.965 1.00 0.00 C ATOM 850 CG GLU A 84 6.024 -9.692 -3.653 1.00 0.00 C ATOM 851 CD GLU A 84 6.934 -10.628 -4.423 1.00 0.00 C ATOM 852 OE1 GLU A 84 8.109 -10.774 -4.027 1.00 0.00 O ATOM 853 OE2 GLU A 84 6.470 -11.216 -5.423 1.00 0.00 O ATOM 0 H GLU A 84 7.622 -6.419 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 84 5.208 -7.161 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.559 -8.201 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.293 -8.973 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.471 -10.262 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.290 -9.262 -4.335 1.00 0.00 H new ATOM 860 N CYS A 85 3.834 -8.181 -1.528 1.00 0.00 N ATOM 861 CA CYS A 85 2.951 -8.579 -0.438 1.00 0.00 C ATOM 862 C CYS A 85 3.529 -9.768 0.324 1.00 0.00 C ATOM 863 O CYS A 85 3.984 -10.751 -0.261 1.00 0.00 O ATOM 864 CB CYS A 85 1.565 -8.932 -0.981 1.00 0.00 C ATOM 865 SG CYS A 85 0.256 -8.962 0.285 1.00 0.00 S ATOM 0 H CYS A 85 3.409 -8.230 -2.454 1.00 0.00 H new ATOM 0 HA CYS A 85 2.862 -7.738 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.294 -8.210 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.613 -9.909 -1.462 1.00 0.00 H new ATOM 870 N PRO A 86 3.511 -9.678 1.662 1.00 0.00 N ATOM 871 CA PRO A 86 4.028 -10.737 2.534 1.00 0.00 C ATOM 872 C PRO A 86 3.155 -11.987 2.509 1.00 0.00 C ATOM 873 O PRO A 86 3.659 -13.107 2.445 1.00 0.00 O ATOM 874 CB PRO A 86 4.003 -10.095 3.924 1.00 0.00 C ATOM 875 CG PRO A 86 2.946 -9.050 3.840 1.00 0.00 C ATOM 876 CD PRO A 86 2.983 -8.535 2.427 1.00 0.00 C ATOM 0 HA PRO A 86 5.016 -11.075 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.773 -10.830 4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.970 -9.660 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.967 -9.465 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.134 -8.247 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.992 -8.242 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.625 -7.659 2.335 1.00 0.00 H new ATOM 884 N GLY A 87 1.841 -11.787 2.558 1.00 0.00 N ATOM 885 CA GLY A 87 0.919 -12.907 2.539 1.00 0.00 C ATOM 886 C GLY A 87 0.720 -13.471 1.146 1.00 0.00 C ATOM 887 O GLY A 87 1.042 -14.630 0.887 1.00 0.00 O ATOM 0 H GLY A 87 1.399 -10.869 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.293 -13.693 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.043 -12.588 2.939 1.00 0.00 H new ATOM 891 N ALA A 88 0.187 -12.650 0.248 1.00 0.00 N ATOM 892 CA ALA A 88 -0.054 -13.073 -1.126 1.00 0.00 C ATOM 893 C ALA A 88 1.208 -13.659 -1.750 1.00 0.00 C ATOM 894 O ALA A 88 1.171 -14.721 -2.370 1.00 0.00 O ATOM 895 CB ALA A 88 -0.562 -11.904 -1.957 1.00 0.00 C ATOM 0 H ALA A 88 -0.086 -11.688 0.447 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.816 -13.852 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.738 -12.234 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.494 -11.532 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.181 -11.107 -1.956 1.00 0.00 H new ATOM 901 N GLY A 89 2.326 -12.959 -1.581 1.00 0.00 N ATOM 902 CA GLY A 89 3.584 -13.425 -2.134 1.00 0.00 C ATOM 903 C GLY A 89 4.406 -14.204 -1.127 1.00 0.00 C ATOM 904 O GLY A 89 3.874 -15.029 -0.384 1.00 0.00 O ATOM 0 H GLY A 89 2.383 -12.078 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.385 -14.055 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.161 -12.570 -2.486 1.00 0.00 H new ATOM 908 N LYS A 90 5.709 -13.944 -1.102 1.00 0.00 N ATOM 909 CA LYS A 90 6.609 -14.627 -0.180 1.00 0.00 C ATOM 910 C LYS A 90 6.440 -14.094 1.239 1.00 0.00 C ATOM 911 O LYS A 90 6.385 -12.884 1.456 1.00 0.00 O ATOM 912 CB LYS A 90 8.061 -14.456 -0.631 1.00 0.00 C ATOM 913 CG LYS A 90 8.969 -15.596 -0.203 1.00 0.00 C ATOM 914 CD LYS A 90 9.453 -15.417 1.227 1.00 0.00 C ATOM 915 CE LYS A 90 10.333 -16.577 1.666 1.00 0.00 C ATOM 916 NZ LYS A 90 11.695 -16.497 1.069 1.00 0.00 N ATOM 0 H LYS A 90 6.166 -13.264 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 90 6.357 -15.687 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.087 -14.370 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.450 -13.521 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.434 -16.541 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.826 -15.651 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.011 -14.484 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.596 -15.336 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.413 -16.581 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.865 -17.518 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.264 -17.305 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.621 -16.519 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.152 -15.611 1.365 1.00 0.00 H new ATOM 930 N GLY A 91 6.359 -15.006 2.204 1.00 0.00 N ATOM 931 CA GLY A 91 6.198 -14.608 3.590 1.00 0.00 C ATOM 932 C GLY A 91 6.599 -15.703 4.558 1.00 0.00 C ATOM 933 O GLY A 91 7.079 -16.765 4.163 1.00 0.00 O ATOM 0 H GLY A 91 6.402 -16.013 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.800 -13.720 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.158 -14.333 3.767 1.00 0.00 H new ATOM 937 N PRO A 92 6.403 -15.448 5.860 1.00 0.00 N ATOM 938 CA PRO A 92 6.741 -16.409 6.915 1.00 0.00 C ATOM 939 C PRO A 92 5.817 -17.622 6.912 1.00 0.00 C ATOM 940 O PRO A 92 4.640 -17.515 6.572 1.00 0.00 O ATOM 941 CB PRO A 92 6.559 -15.601 8.202 1.00 0.00 C ATOM 942 CG PRO A 92 5.578 -14.538 7.847 1.00 0.00 C ATOM 943 CD PRO A 92 5.834 -14.203 6.403 1.00 0.00 C ATOM 0 HA PRO A 92 7.744 -16.816 6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 92 6.188 -16.227 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.503 -15.172 8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.555 -14.887 7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.708 -13.660 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.916 -13.922 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.526 -13.367 6.301 1.00 0.00 H new ATOM 951 N GLN A 93 6.360 -18.773 7.294 1.00 0.00 N ATOM 952 CA GLN A 93 5.583 -20.007 7.335 1.00 0.00 C ATOM 953 C GLN A 93 5.255 -20.396 8.773 1.00 0.00 C ATOM 954 O GLN A 93 4.088 -20.532 9.141 1.00 0.00 O ATOM 955 CB GLN A 93 6.348 -21.140 6.649 1.00 0.00 C ATOM 956 CG GLN A 93 6.732 -20.831 5.211 1.00 0.00 C ATOM 957 CD GLN A 93 7.800 -21.766 4.679 1.00 0.00 C ATOM 958 OE1 GLN A 93 8.173 -22.738 5.335 1.00 0.00 O ATOM 959 NE2 GLN A 93 8.298 -21.475 3.482 1.00 0.00 N ATOM 0 H GLN A 93 7.334 -18.877 7.579 1.00 0.00 H new ATOM 0 HA GLN A 93 4.648 -19.836 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.252 -21.355 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.737 -22.043 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.846 -20.900 4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.089 -19.803 5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.959 -20.659 2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.019 -22.068 3.072 1.00 0.00 H new ATOM 968 N THR A 94 6.294 -20.575 9.584 1.00 0.00 N ATOM 969 CA THR A 94 6.117 -20.950 10.981 1.00 0.00 C ATOM 970 C THR A 94 6.918 -20.037 11.901 1.00 0.00 C ATOM 971 O THR A 94 8.051 -20.348 12.268 1.00 0.00 O ATOM 972 CB THR A 94 6.542 -22.410 11.229 1.00 0.00 C ATOM 973 OG1 THR A 94 7.897 -22.604 10.808 1.00 0.00 O ATOM 974 CG2 THR A 94 5.631 -23.373 10.482 1.00 0.00 C ATOM 0 H THR A 94 7.267 -20.466 9.297 1.00 0.00 H new ATOM 0 HA THR A 94 5.055 -20.845 11.204 1.00 0.00 H new ATOM 0 HB THR A 94 6.461 -22.612 12.297 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.456 -21.882 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.950 -24.398 10.672 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.605 -23.243 10.825 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.684 -23.169 9.413 1.00 0.00 H new ATOM 982 N ASP A 95 6.323 -18.908 12.271 1.00 0.00 N ATOM 983 CA ASP A 95 6.981 -17.949 13.151 1.00 0.00 C ATOM 984 C ASP A 95 6.295 -17.902 14.513 1.00 0.00 C ATOM 985 O ASP A 95 5.099 -18.169 14.627 1.00 0.00 O ATOM 986 CB ASP A 95 6.979 -16.558 12.517 1.00 0.00 C ATOM 987 CG ASP A 95 7.877 -16.476 11.298 1.00 0.00 C ATOM 988 OD1 ASP A 95 7.727 -17.322 10.393 1.00 0.00 O ATOM 989 OD2 ASP A 95 8.731 -15.565 11.250 1.00 0.00 O ATOM 0 H ASP A 95 5.386 -18.635 11.975 1.00 0.00 H new ATOM 0 HA ASP A 95 8.012 -18.273 13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.961 -16.293 12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.305 -15.825 13.255 1.00 0.00 H new ATOM 994 N ASP A 96 7.061 -17.562 15.544 1.00 0.00 N ATOM 995 CA ASP A 96 6.528 -17.480 16.899 1.00 0.00 C ATOM 996 C ASP A 96 6.193 -16.037 17.264 1.00 0.00 C ATOM 997 O ASP A 96 7.075 -15.200 17.461 1.00 0.00 O ATOM 998 CB ASP A 96 7.531 -18.054 17.900 1.00 0.00 C ATOM 999 CG ASP A 96 8.863 -17.329 17.865 1.00 0.00 C ATOM 1000 OD1 ASP A 96 9.241 -16.834 16.783 1.00 0.00 O ATOM 1001 OD2 ASP A 96 9.526 -17.257 18.920 1.00 0.00 O ATOM 0 H ASP A 96 8.053 -17.339 15.467 1.00 0.00 H new ATOM 0 HA ASP A 96 5.611 -18.068 16.939 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.113 -17.992 18.905 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.690 -19.111 17.685 1.00 0.00 H new ATOM 1006 N PRO A 97 4.889 -15.737 17.357 1.00 0.00 N ATOM 1007 CA PRO A 97 4.408 -14.396 17.699 1.00 0.00 C ATOM 1008 C PRO A 97 4.697 -14.029 19.151 1.00 0.00 C ATOM 1009 O PRO A 97 5.247 -12.964 19.435 1.00 0.00 O ATOM 1010 CB PRO A 97 2.899 -14.488 17.461 1.00 0.00 C ATOM 1011 CG PRO A 97 2.578 -15.934 17.627 1.00 0.00 C ATOM 1012 CD PRO A 97 3.784 -16.685 17.137 1.00 0.00 C ATOM 0 HA PRO A 97 4.900 -13.624 17.107 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.347 -13.875 18.174 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.633 -14.135 16.465 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.369 -16.170 18.670 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.691 -16.205 17.055 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.933 -17.611 17.692 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.689 -16.955 16.085 1.00 0.00 H new ATOM 1020 N ARG A 98 4.323 -14.917 20.067 1.00 0.00 N ATOM 1021 CA ARG A 98 4.541 -14.685 21.489 1.00 0.00 C ATOM 1022 C ARG A 98 4.749 -16.003 22.229 1.00 0.00 C ATOM 1023 O ARG A 98 4.051 -16.985 21.977 1.00 0.00 O ATOM 1024 CB ARG A 98 3.355 -13.931 22.093 1.00 0.00 C ATOM 1025 CG ARG A 98 3.460 -12.421 21.956 1.00 0.00 C ATOM 1026 CD ARG A 98 2.165 -11.733 22.361 1.00 0.00 C ATOM 1027 NE ARG A 98 1.938 -11.801 23.802 1.00 0.00 N ATOM 1028 CZ ARG A 98 0.734 -11.741 24.360 1.00 0.00 C ATOM 1029 NH1 ARG A 98 -0.346 -11.612 23.601 1.00 0.00 N ATOM 1030 NH2 ARG A 98 0.608 -11.809 25.679 1.00 0.00 N ATOM 0 H ARG A 98 3.868 -15.803 19.849 1.00 0.00 H new ATOM 0 HA ARG A 98 5.441 -14.080 21.599 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.437 -14.268 21.611 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.273 -14.187 23.149 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.278 -12.054 22.577 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.703 -12.164 20.925 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.195 -10.690 22.047 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.329 -12.198 21.840 1.00 0.00 H new ATOM 0 HE ARG A 98 2.748 -11.900 24.414 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.253 -11.559 22.587 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.269 -11.566 24.032 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.436 -11.907 26.266 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.317 -11.763 26.106 1.00 0.00 H new ATOM 1044 N ASN A 99 5.714 -16.018 23.143 1.00 0.00 N ATOM 1045 CA ASN A 99 6.014 -17.216 23.918 1.00 0.00 C ATOM 1046 C ASN A 99 4.942 -17.463 24.975 1.00 0.00 C ATOM 1047 O ASN A 99 4.305 -16.528 25.461 1.00 0.00 O ATOM 1048 CB ASN A 99 7.384 -17.085 24.587 1.00 0.00 C ATOM 1049 CG ASN A 99 7.756 -18.317 25.389 1.00 0.00 C ATOM 1050 OD1 ASN A 99 7.739 -18.299 26.620 1.00 0.00 O ATOM 1051 ND2 ASN A 99 8.095 -19.396 24.693 1.00 0.00 N ATOM 0 H ASN A 99 6.301 -15.214 23.365 1.00 0.00 H new ATOM 0 HA ASN A 99 6.029 -18.066 23.236 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.142 -16.909 23.824 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.383 -16.214 25.243 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.355 -20.255 25.178 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.095 -19.366 23.673 1.00 0.00 H new ATOM 1058 N LYS A 100 4.747 -18.729 25.327 1.00 0.00 N ATOM 1059 CA LYS A 100 3.753 -19.102 26.327 1.00 0.00 C ATOM 1060 C LYS A 100 4.410 -19.342 27.682 1.00 0.00 C ATOM 1061 O LYS A 100 5.455 -19.987 27.772 1.00 0.00 O ATOM 1062 CB LYS A 100 2.999 -20.358 25.883 1.00 0.00 C ATOM 1063 CG LYS A 100 1.616 -20.485 26.498 1.00 0.00 C ATOM 1064 CD LYS A 100 0.710 -21.366 25.654 1.00 0.00 C ATOM 1065 CE LYS A 100 -0.506 -21.831 26.440 1.00 0.00 C ATOM 1066 NZ LYS A 100 -1.536 -20.761 26.552 1.00 0.00 N ATOM 0 H LYS A 100 5.265 -19.515 24.934 1.00 0.00 H new ATOM 0 HA LYS A 100 3.046 -18.278 26.426 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.906 -20.351 24.797 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.587 -21.237 26.147 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.700 -20.903 27.501 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.170 -19.496 26.601 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.385 -20.815 24.771 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.269 -22.232 25.301 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.941 -22.704 25.954 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.196 -22.143 27.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.349 -21.117 27.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.129 -19.937 27.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.850 -20.481 25.601 1.00 0.00 H new ATOM 1080 N HIS A 101 3.790 -18.820 28.736 1.00 0.00 N ATOM 1081 CA HIS A 101 4.313 -18.979 30.088 1.00 0.00 C ATOM 1082 C HIS A 101 3.177 -19.125 31.096 1.00 0.00 C ATOM 1083 O HIS A 101 2.041 -18.732 30.830 1.00 0.00 O ATOM 1084 CB HIS A 101 5.192 -17.786 30.461 1.00 0.00 C ATOM 1085 CG HIS A 101 4.414 -16.568 30.854 1.00 0.00 C ATOM 1086 ND1 HIS A 101 4.059 -15.581 29.959 1.00 0.00 N ATOM 1087 CD2 HIS A 101 3.920 -16.181 32.053 1.00 0.00 C ATOM 1088 CE1 HIS A 101 3.382 -14.639 30.591 1.00 0.00 C ATOM 1089 NE2 HIS A 101 3.283 -14.979 31.863 1.00 0.00 N ATOM 0 H HIS A 101 2.925 -18.283 28.679 1.00 0.00 H new ATOM 0 HA HIS A 101 4.916 -19.886 30.114 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.846 -18.071 31.285 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.834 -17.540 29.615 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.010 -16.718 32.986 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.978 -13.743 30.143 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.810 -14.437 32.587 1.00 0.00 H new ATOM 1097 N LYS A 102 3.492 -19.693 32.256 1.00 0.00 N ATOM 1098 CA LYS A 102 2.499 -19.891 33.305 1.00 0.00 C ATOM 1099 C LYS A 102 3.069 -19.521 34.670 1.00 0.00 C ATOM 1100 O LYS A 102 4.276 -19.330 34.819 1.00 0.00 O ATOM 1101 CB LYS A 102 2.022 -21.345 33.317 1.00 0.00 C ATOM 1102 CG LYS A 102 3.076 -22.327 33.801 1.00 0.00 C ATOM 1103 CD LYS A 102 4.009 -22.742 32.676 1.00 0.00 C ATOM 1104 CE LYS A 102 3.332 -23.713 31.720 1.00 0.00 C ATOM 1105 NZ LYS A 102 3.196 -25.072 32.313 1.00 0.00 N ATOM 0 H LYS A 102 4.427 -20.024 32.493 1.00 0.00 H new ATOM 0 HA LYS A 102 1.651 -19.239 33.096 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.142 -21.425 33.956 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.711 -21.625 32.310 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.654 -21.874 34.606 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.589 -23.210 34.216 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.335 -21.858 32.128 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.902 -23.205 33.095 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.346 -23.333 31.454 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.909 -23.776 30.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.905 -25.745 31.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.109 -25.369 32.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.479 -25.052 33.066 1.00 0.00 H new ATOM 1119 N PHE A 103 2.194 -19.422 35.665 1.00 0.00 N ATOM 1120 CA PHE A 103 2.611 -19.075 37.019 1.00 0.00 C ATOM 1121 C PHE A 103 3.641 -20.071 37.543 1.00 0.00 C ATOM 1122 O PHE A 103 3.973 -21.048 36.872 1.00 0.00 O ATOM 1123 CB PHE A 103 1.400 -19.037 37.954 1.00 0.00 C ATOM 1124 CG PHE A 103 0.458 -17.903 37.669 1.00 0.00 C ATOM 1125 CD1 PHE A 103 0.828 -16.594 37.934 1.00 0.00 C ATOM 1126 CD2 PHE A 103 -0.798 -18.146 37.137 1.00 0.00 C ATOM 1127 CE1 PHE A 103 -0.037 -15.548 37.672 1.00 0.00 C ATOM 1128 CE2 PHE A 103 -1.667 -17.104 36.873 1.00 0.00 C ATOM 1129 CZ PHE A 103 -1.287 -15.804 37.142 1.00 0.00 C ATOM 0 H PHE A 103 1.191 -19.577 35.559 1.00 0.00 H new ATOM 0 HA PHE A 103 3.070 -18.087 36.989 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.858 -19.979 37.871 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.749 -18.959 38.984 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.803 -16.389 38.350 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.101 -19.161 36.926 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.264 -14.532 37.881 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.643 -17.307 36.457 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.966 -14.989 36.938 1.00 0.00 H new ATOM 1139 N ARG A 104 4.145 -19.815 38.746 1.00 0.00 N ATOM 1140 CA ARG A 104 5.139 -20.687 39.360 1.00 0.00 C ATOM 1141 C ARG A 104 4.975 -20.715 40.876 1.00 0.00 C ATOM 1142 O ARG A 104 4.497 -19.753 41.478 1.00 0.00 O ATOM 1143 CB ARG A 104 6.550 -20.221 38.997 1.00 0.00 C ATOM 1144 CG ARG A 104 7.648 -20.977 39.728 1.00 0.00 C ATOM 1145 CD ARG A 104 8.011 -20.301 41.041 1.00 0.00 C ATOM 1146 NE ARG A 104 8.422 -18.913 40.846 1.00 0.00 N ATOM 1147 CZ ARG A 104 8.894 -18.143 41.821 1.00 0.00 C ATOM 1148 NH1 ARG A 104 9.015 -18.624 43.050 1.00 0.00 N ATOM 1149 NH2 ARG A 104 9.248 -16.890 41.565 1.00 0.00 N ATOM 0 H ARG A 104 3.881 -19.010 39.315 1.00 0.00 H new ATOM 0 HA ARG A 104 4.987 -21.696 38.977 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.696 -20.334 37.923 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.641 -19.158 39.221 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.321 -21.999 39.922 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.532 -21.040 39.094 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.155 -20.334 41.715 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.818 -20.854 41.523 1.00 0.00 H new ATOM 0 HE ARG A 104 8.342 -18.513 39.911 1.00 0.00 H new ATOM 0 HH11 ARG A 104 8.746 -19.587 43.249 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.378 -18.031 43.796 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.158 -16.518 40.620 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.610 -16.299 42.314 1.00 0.00 H new ATOM 1163 N LEU A 105 5.374 -21.824 41.488 1.00 0.00 N ATOM 1164 CA LEU A 105 5.271 -21.979 42.936 1.00 0.00 C ATOM 1165 C LEU A 105 5.900 -20.791 43.656 1.00 0.00 C ATOM 1166 O LEU A 105 5.201 -19.974 44.254 1.00 0.00 O ATOM 1167 CB LEU A 105 5.949 -23.277 43.379 1.00 0.00 C ATOM 1168 CG LEU A 105 5.823 -23.627 44.862 1.00 0.00 C ATOM 1169 CD1 LEU A 105 5.928 -25.130 45.067 1.00 0.00 C ATOM 1170 CD2 LEU A 105 6.886 -22.901 45.673 1.00 0.00 C ATOM 0 H LEU A 105 5.772 -22.630 41.005 1.00 0.00 H new ATOM 0 HA LEU A 105 4.214 -22.021 43.199 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.533 -24.098 42.796 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.008 -23.214 43.130 1.00 0.00 H new ATOM 0 HG LEU A 105 4.843 -23.301 45.210 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.836 -25.360 46.129 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.130 -25.629 44.517 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.894 -25.480 44.702 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.781 -23.162 46.726 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.875 -23.196 45.323 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.764 -21.825 45.552 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.344 7.590 -2.452 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.517 -6.819 0.892 1.00 0.00 ZN