USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=22 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 Set 1.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 SER OG : rot 54:sc= 0.147 USER MOD Set 2.1: A 26 THR OG1 : rot 61:sc= 1.09 USER MOD Set 2.2: A 58 HIS :FLIP no HE2:sc= -5.47! C(o=-7.4!,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 32:sc= 1.12 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.578! USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 MET CE :methyl -168:sc=-0.00271 (180deg=-0.165) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.291) USER MOD Single : A 41 ASN : amide:sc= 0.00113 K(o=0.0011,f=-2.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -79:sc= -0.167 USER MOD Single : A 46 HIS : no HD1:sc= -3.03! C(o=-3!,f=-2.9!) USER MOD Single : A 49 SER OG : rot -56:sc= 0.89 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.1!) USER MOD Single : A 55 CYS SG : rot 84:sc= -0.557! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.611 K(o=-0.61,f=-3.7) USER MOD Single : A 72 SER OG : rot 47:sc= 0.822 USER MOD Single : A 77 SER OG : rot -56:sc= 0.0415 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.487 -0.827 -13.843 1.00 0.00 N ATOM 2 CA GLY A 1 -12.921 -1.252 -15.110 1.00 0.00 C ATOM 3 C GLY A 1 -12.009 -2.454 -14.964 1.00 0.00 C ATOM 4 O GLY A 1 -10.826 -2.311 -14.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.102 -0.003 -13.997 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.044 -1.604 -13.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.720 -0.569 -13.189 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.728 -1.494 -15.802 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.361 -0.426 -15.549 1.00 0.00 H new ATOM 8 N SER A 2 -12.562 -3.643 -15.182 1.00 0.00 N ATOM 9 CA SER A 2 -11.792 -4.876 -15.067 1.00 0.00 C ATOM 10 C SER A 2 -11.216 -5.285 -16.419 1.00 0.00 C ATOM 11 O SER A 2 -11.785 -6.120 -17.122 1.00 0.00 O ATOM 12 CB SER A 2 -12.669 -6.001 -14.513 1.00 0.00 C ATOM 13 OG SER A 2 -13.148 -5.682 -13.218 1.00 0.00 O ATOM 0 H SER A 2 -13.540 -3.778 -15.439 1.00 0.00 H new ATOM 0 HA SER A 2 -10.966 -4.696 -14.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.511 -6.174 -15.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.096 -6.928 -14.475 1.00 0.00 H new ATOM 0 HG SER A 2 -13.707 -6.415 -12.886 1.00 0.00 H new ATOM 19 N SER A 3 -10.083 -4.689 -16.778 1.00 0.00 N ATOM 20 CA SER A 3 -9.430 -4.987 -18.047 1.00 0.00 C ATOM 21 C SER A 3 -7.980 -4.514 -18.037 1.00 0.00 C ATOM 22 O SER A 3 -7.603 -3.650 -17.247 1.00 0.00 O ATOM 23 CB SER A 3 -10.186 -4.326 -19.201 1.00 0.00 C ATOM 24 OG SER A 3 -9.807 -4.885 -20.447 1.00 0.00 O ATOM 0 H SER A 3 -9.598 -3.996 -16.207 1.00 0.00 H new ATOM 0 HA SER A 3 -9.440 -6.068 -18.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.259 -4.450 -19.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.986 -3.254 -19.204 1.00 0.00 H new ATOM 0 HG SER A 3 -10.306 -4.446 -21.168 1.00 0.00 H new ATOM 30 N GLY A 4 -7.170 -5.088 -18.922 1.00 0.00 N ATOM 31 CA GLY A 4 -5.771 -4.713 -18.999 1.00 0.00 C ATOM 32 C GLY A 4 -4.852 -5.915 -19.089 1.00 0.00 C ATOM 33 O GLY A 4 -4.932 -6.829 -18.268 1.00 0.00 O ATOM 0 H GLY A 4 -7.458 -5.806 -19.587 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.616 -4.076 -19.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.507 -4.123 -18.121 1.00 0.00 H new ATOM 37 N SER A 5 -3.979 -5.917 -20.091 1.00 0.00 N ATOM 38 CA SER A 5 -3.045 -7.020 -20.289 1.00 0.00 C ATOM 39 C SER A 5 -2.482 -7.501 -18.955 1.00 0.00 C ATOM 40 O SER A 5 -1.871 -6.732 -18.213 1.00 0.00 O ATOM 41 CB SER A 5 -1.903 -6.590 -21.212 1.00 0.00 C ATOM 42 OG SER A 5 -2.351 -6.460 -22.550 1.00 0.00 O ATOM 0 H SER A 5 -3.899 -5.168 -20.778 1.00 0.00 H new ATOM 0 HA SER A 5 -3.587 -7.844 -20.753 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.492 -5.641 -20.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.097 -7.322 -21.164 1.00 0.00 H new ATOM 0 HG SER A 5 -1.603 -6.183 -23.120 1.00 0.00 H new ATOM 48 N SER A 6 -2.693 -8.779 -18.657 1.00 0.00 N ATOM 49 CA SER A 6 -2.211 -9.363 -17.411 1.00 0.00 C ATOM 50 C SER A 6 -0.774 -8.933 -17.130 1.00 0.00 C ATOM 51 O SER A 6 -0.483 -8.344 -16.090 1.00 0.00 O ATOM 52 CB SER A 6 -2.295 -10.890 -17.473 1.00 0.00 C ATOM 53 OG SER A 6 -3.641 -11.322 -17.579 1.00 0.00 O ATOM 0 H SER A 6 -3.195 -9.430 -19.261 1.00 0.00 H new ATOM 0 HA SER A 6 -2.845 -9.003 -16.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.724 -11.255 -18.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.841 -11.319 -16.580 1.00 0.00 H new ATOM 0 HG SER A 6 -3.668 -12.301 -17.619 1.00 0.00 H new ATOM 59 N GLY A 7 0.121 -9.233 -18.066 1.00 0.00 N ATOM 60 CA GLY A 7 1.517 -8.871 -17.902 1.00 0.00 C ATOM 61 C GLY A 7 2.355 -10.018 -17.372 1.00 0.00 C ATOM 62 O GLY A 7 2.166 -10.464 -16.240 1.00 0.00 O ATOM 0 H GLY A 7 -0.096 -9.720 -18.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.919 -8.544 -18.861 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.592 -8.025 -17.219 1.00 0.00 H new ATOM 66 N THR A 8 3.283 -10.499 -18.193 1.00 0.00 N ATOM 67 CA THR A 8 4.151 -11.602 -17.802 1.00 0.00 C ATOM 68 C THR A 8 5.212 -11.142 -16.809 1.00 0.00 C ATOM 69 O THR A 8 6.320 -10.768 -17.197 1.00 0.00 O ATOM 70 CB THR A 8 4.846 -12.231 -19.025 1.00 0.00 C ATOM 71 OG1 THR A 8 3.874 -12.568 -20.021 1.00 0.00 O ATOM 72 CG2 THR A 8 5.623 -13.476 -18.625 1.00 0.00 C ATOM 0 H THR A 8 3.453 -10.142 -19.133 1.00 0.00 H new ATOM 0 HA THR A 8 3.516 -12.351 -17.329 1.00 0.00 H new ATOM 0 HB THR A 8 5.546 -11.501 -19.433 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.324 -12.966 -20.796 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.105 -13.902 -19.505 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.382 -13.211 -17.889 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.940 -14.208 -18.195 1.00 0.00 H new ATOM 80 N LEU A 9 4.869 -11.173 -15.526 1.00 0.00 N ATOM 81 CA LEU A 9 5.793 -10.759 -14.476 1.00 0.00 C ATOM 82 C LEU A 9 6.395 -11.971 -13.773 1.00 0.00 C ATOM 83 O LEU A 9 5.944 -13.100 -13.964 1.00 0.00 O ATOM 84 CB LEU A 9 5.076 -9.869 -13.460 1.00 0.00 C ATOM 85 CG LEU A 9 5.081 -8.370 -13.759 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.404 -7.747 -13.342 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.814 -8.120 -15.236 1.00 0.00 C ATOM 0 H LEU A 9 3.957 -11.481 -15.188 1.00 0.00 H new ATOM 0 HA LEU A 9 6.601 -10.192 -14.939 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.040 -10.200 -13.384 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.533 -10.026 -12.483 1.00 0.00 H new ATOM 0 HG LEU A 9 4.284 -7.901 -13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.389 -6.680 -13.563 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.555 -7.895 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.218 -8.220 -13.892 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.821 -7.048 -15.431 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.588 -8.602 -15.832 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.841 -8.531 -15.504 1.00 0.00 H new ATOM 99 N ALA A 10 7.416 -11.729 -12.956 1.00 0.00 N ATOM 100 CA ALA A 10 8.077 -12.799 -12.221 1.00 0.00 C ATOM 101 C ALA A 10 8.146 -12.480 -10.731 1.00 0.00 C ATOM 102 O ALA A 10 9.214 -12.170 -10.201 1.00 0.00 O ATOM 103 CB ALA A 10 9.473 -13.038 -12.777 1.00 0.00 C ATOM 0 H ALA A 10 7.803 -10.800 -12.787 1.00 0.00 H new ATOM 0 HA ALA A 10 7.489 -13.708 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.955 -13.840 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.403 -13.319 -13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.063 -12.126 -12.684 1.00 0.00 H new ATOM 109 N LYS A 11 7.002 -12.557 -10.060 1.00 0.00 N ATOM 110 CA LYS A 11 6.932 -12.277 -8.631 1.00 0.00 C ATOM 111 C LYS A 11 7.836 -13.223 -7.847 1.00 0.00 C ATOM 112 O LYS A 11 8.547 -14.043 -8.428 1.00 0.00 O ATOM 113 CB LYS A 11 5.490 -12.405 -8.135 1.00 0.00 C ATOM 114 CG LYS A 11 5.117 -13.813 -7.706 1.00 0.00 C ATOM 115 CD LYS A 11 5.053 -14.759 -8.893 1.00 0.00 C ATOM 116 CE LYS A 11 6.398 -15.419 -9.153 1.00 0.00 C ATOM 117 NZ LYS A 11 6.245 -16.770 -9.761 1.00 0.00 N ATOM 0 H LYS A 11 6.110 -12.811 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 11 7.276 -11.255 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.342 -11.727 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.813 -12.084 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.848 -14.181 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.152 -13.797 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.300 -15.525 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.738 -14.210 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.990 -14.788 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.949 -15.503 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.184 -17.186 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.702 -17.381 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.742 -16.688 -10.668 1.00 0.00 H new ATOM 131 N SER A 12 7.803 -13.104 -6.523 1.00 0.00 N ATOM 132 CA SER A 12 8.621 -13.948 -5.659 1.00 0.00 C ATOM 133 C SER A 12 7.822 -14.421 -4.449 1.00 0.00 C ATOM 134 O SER A 12 7.008 -13.680 -3.898 1.00 0.00 O ATOM 135 CB SER A 12 9.865 -13.186 -5.198 1.00 0.00 C ATOM 136 OG SER A 12 9.515 -12.095 -4.363 1.00 0.00 O ATOM 0 H SER A 12 7.219 -12.432 -6.026 1.00 0.00 H new ATOM 0 HA SER A 12 8.931 -14.822 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.530 -13.861 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.415 -12.822 -6.066 1.00 0.00 H new ATOM 0 HG SER A 12 10.327 -11.625 -4.081 1.00 0.00 H new ATOM 142 N LYS A 13 8.062 -15.662 -4.039 1.00 0.00 N ATOM 143 CA LYS A 13 7.368 -16.238 -2.893 1.00 0.00 C ATOM 144 C LYS A 13 8.180 -16.053 -1.615 1.00 0.00 C ATOM 145 O LYS A 13 9.398 -16.228 -1.612 1.00 0.00 O ATOM 146 CB LYS A 13 7.099 -17.726 -3.128 1.00 0.00 C ATOM 147 CG LYS A 13 8.339 -18.594 -3.008 1.00 0.00 C ATOM 148 CD LYS A 13 8.018 -20.061 -3.242 1.00 0.00 C ATOM 149 CE LYS A 13 7.405 -20.701 -2.006 1.00 0.00 C ATOM 150 NZ LYS A 13 6.480 -21.814 -2.360 1.00 0.00 N ATOM 0 H LYS A 13 8.733 -16.289 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 13 6.418 -15.717 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.354 -18.070 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.669 -17.857 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.086 -18.264 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.777 -18.470 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.329 -20.154 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.928 -20.595 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.198 -21.079 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.864 -19.946 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.082 -22.225 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.709 -21.449 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.002 -22.547 -2.882 1.00 0.00 H new ATOM 164 N GLY A 14 7.497 -15.699 -0.531 1.00 0.00 N ATOM 165 CA GLY A 14 8.172 -15.497 0.738 1.00 0.00 C ATOM 166 C GLY A 14 7.517 -16.262 1.871 1.00 0.00 C ATOM 167 O GLY A 14 8.187 -16.976 2.616 1.00 0.00 O ATOM 0 H GLY A 14 6.488 -15.548 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.212 -15.809 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.178 -14.434 0.978 1.00 0.00 H new ATOM 171 N ALA A 15 6.203 -16.111 2.003 1.00 0.00 N ATOM 172 CA ALA A 15 5.457 -16.793 3.053 1.00 0.00 C ATOM 173 C ALA A 15 3.958 -16.751 2.777 1.00 0.00 C ATOM 174 O ALA A 15 3.427 -15.734 2.332 1.00 0.00 O ATOM 175 CB ALA A 15 5.764 -16.171 4.407 1.00 0.00 C ATOM 0 H ALA A 15 5.633 -15.522 1.395 1.00 0.00 H new ATOM 0 HA ALA A 15 5.768 -17.838 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.200 -16.690 5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.831 -16.258 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.482 -15.118 4.396 1.00 0.00 H new ATOM 181 N SER A 16 3.281 -17.863 3.044 1.00 0.00 N ATOM 182 CA SER A 16 1.843 -17.955 2.820 1.00 0.00 C ATOM 183 C SER A 16 1.071 -17.371 3.999 1.00 0.00 C ATOM 184 O SER A 16 0.912 -18.019 5.033 1.00 0.00 O ATOM 185 CB SER A 16 1.431 -19.412 2.598 1.00 0.00 C ATOM 186 OG SER A 16 1.662 -20.189 3.760 1.00 0.00 O ATOM 0 H SER A 16 3.705 -18.713 3.416 1.00 0.00 H new ATOM 0 HA SER A 16 1.602 -17.377 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.376 -19.458 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.991 -19.828 1.761 1.00 0.00 H new ATOM 0 HG SER A 16 1.545 -19.630 4.556 1.00 0.00 H new ATOM 192 N ALA A 17 0.594 -16.141 3.836 1.00 0.00 N ATOM 193 CA ALA A 17 -0.163 -15.470 4.885 1.00 0.00 C ATOM 194 C ALA A 17 -1.660 -15.519 4.599 1.00 0.00 C ATOM 195 O ALA A 17 -2.226 -14.582 4.038 1.00 0.00 O ATOM 196 CB ALA A 17 0.301 -14.028 5.030 1.00 0.00 C ATOM 0 H ALA A 17 0.719 -15.589 2.987 1.00 0.00 H new ATOM 0 HA ALA A 17 0.019 -15.995 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.273 -13.539 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.360 -14.011 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.149 -13.500 4.088 1.00 0.00 H new ATOM 202 N GLY A 18 -2.297 -16.619 4.989 1.00 0.00 N ATOM 203 CA GLY A 18 -3.722 -16.771 4.766 1.00 0.00 C ATOM 204 C GLY A 18 -4.167 -16.183 3.441 1.00 0.00 C ATOM 205 O GLY A 18 -3.886 -16.742 2.381 1.00 0.00 O ATOM 0 H GLY A 18 -1.850 -17.408 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.980 -17.829 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.267 -16.287 5.576 1.00 0.00 H new ATOM 209 N ARG A 19 -4.865 -15.054 3.501 1.00 0.00 N ATOM 210 CA ARG A 19 -5.352 -14.392 2.297 1.00 0.00 C ATOM 211 C ARG A 19 -4.554 -13.123 2.013 1.00 0.00 C ATOM 212 O ARG A 19 -4.925 -12.034 2.451 1.00 0.00 O ATOM 213 CB ARG A 19 -6.836 -14.052 2.441 1.00 0.00 C ATOM 214 CG ARG A 19 -7.532 -13.788 1.115 1.00 0.00 C ATOM 215 CD ARG A 19 -7.890 -15.085 0.406 1.00 0.00 C ATOM 216 NE ARG A 19 -8.856 -15.875 1.165 1.00 0.00 N ATOM 217 CZ ARG A 19 -9.328 -17.048 0.757 1.00 0.00 C ATOM 218 NH1 ARG A 19 -8.925 -17.563 -0.396 1.00 0.00 N ATOM 219 NH2 ARG A 19 -10.204 -17.708 1.504 1.00 0.00 N ATOM 0 H ARG A 19 -5.106 -14.579 4.371 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.223 -15.077 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.341 -14.874 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.939 -13.173 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.436 -13.205 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.884 -13.189 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.300 -14.859 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.986 -15.673 0.247 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.186 -15.506 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.251 -17.059 -0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.289 -18.464 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.515 -17.315 2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.566 -18.608 1.190 1.00 0.00 H new ATOM 233 N GLU A 20 -3.456 -13.272 1.278 1.00 0.00 N ATOM 234 CA GLU A 20 -2.605 -12.138 0.938 1.00 0.00 C ATOM 235 C GLU A 20 -3.160 -11.384 -0.267 1.00 0.00 C ATOM 236 O GLU A 20 -3.766 -11.978 -1.159 1.00 0.00 O ATOM 237 CB GLU A 20 -1.179 -12.611 0.646 1.00 0.00 C ATOM 238 CG GLU A 20 -0.225 -11.483 0.289 1.00 0.00 C ATOM 239 CD GLU A 20 0.933 -11.949 -0.572 1.00 0.00 C ATOM 240 OE1 GLU A 20 1.727 -12.787 -0.096 1.00 0.00 O ATOM 241 OE2 GLU A 20 1.044 -11.476 -1.723 1.00 0.00 O ATOM 0 H GLU A 20 -3.135 -14.166 0.907 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.587 -11.461 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.794 -13.139 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.204 -13.328 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.773 -10.702 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.164 -11.038 1.205 1.00 0.00 H new ATOM 248 N TRP A 21 -2.947 -10.073 -0.286 1.00 0.00 N ATOM 249 CA TRP A 21 -3.426 -9.237 -1.382 1.00 0.00 C ATOM 250 C TRP A 21 -3.073 -9.853 -2.731 1.00 0.00 C ATOM 251 O TRP A 21 -2.396 -10.880 -2.799 1.00 0.00 O ATOM 252 CB TRP A 21 -2.831 -7.832 -1.276 1.00 0.00 C ATOM 253 CG TRP A 21 -3.444 -7.008 -0.185 1.00 0.00 C ATOM 254 CD1 TRP A 21 -3.703 -7.405 1.095 1.00 0.00 C ATOM 255 CD2 TRP A 21 -3.877 -5.646 -0.281 1.00 0.00 C ATOM 256 NE1 TRP A 21 -4.271 -6.372 1.802 1.00 0.00 N ATOM 257 CE2 TRP A 21 -4.388 -5.282 0.980 1.00 0.00 C ATOM 258 CE3 TRP A 21 -3.882 -4.699 -1.308 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -4.897 -4.012 1.239 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.388 -3.439 -1.051 1.00 0.00 C ATOM 261 CH2 TRP A 21 -4.889 -3.105 0.214 1.00 0.00 C ATOM 0 H TRP A 21 -2.446 -9.566 0.444 1.00 0.00 H new ATOM 0 HA TRP A 21 -4.511 -9.170 -1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.758 -7.912 -1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.962 -7.317 -2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.493 -8.386 1.494 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.559 -6.411 2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.497 -4.947 -2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.284 -3.752 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.397 -2.700 -1.838 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.277 -2.111 0.384 1.00 0.00 H new ATOM 272 N THR A 22 -3.534 -9.219 -3.805 1.00 0.00 N ATOM 273 CA THR A 22 -3.267 -9.706 -5.153 1.00 0.00 C ATOM 274 C THR A 22 -2.492 -8.675 -5.965 1.00 0.00 C ATOM 275 O THR A 22 -2.271 -7.553 -5.512 1.00 0.00 O ATOM 276 CB THR A 22 -4.572 -10.051 -5.894 1.00 0.00 C ATOM 277 OG1 THR A 22 -4.311 -10.225 -7.291 1.00 0.00 O ATOM 278 CG2 THR A 22 -5.611 -8.957 -5.700 1.00 0.00 C ATOM 0 H THR A 22 -4.094 -8.367 -3.767 1.00 0.00 H new ATOM 0 HA THR A 22 -2.667 -10.610 -5.050 1.00 0.00 H new ATOM 0 HB THR A 22 -4.964 -10.980 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.146 -10.446 -7.755 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.524 -9.224 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.830 -8.847 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.225 -8.015 -6.090 1.00 0.00 H new ATOM 286 N GLU A 23 -2.083 -9.063 -7.169 1.00 0.00 N ATOM 287 CA GLU A 23 -1.332 -8.171 -8.045 1.00 0.00 C ATOM 288 C GLU A 23 -2.019 -6.813 -8.156 1.00 0.00 C ATOM 289 O GLU A 23 -1.383 -5.771 -8.003 1.00 0.00 O ATOM 290 CB GLU A 23 -1.179 -8.794 -9.434 1.00 0.00 C ATOM 291 CG GLU A 23 0.069 -9.647 -9.586 1.00 0.00 C ATOM 292 CD GLU A 23 -0.145 -11.079 -9.135 1.00 0.00 C ATOM 293 OE1 GLU A 23 -0.234 -11.307 -7.910 1.00 0.00 O ATOM 294 OE2 GLU A 23 -0.223 -11.970 -10.006 1.00 0.00 O ATOM 0 H GLU A 23 -2.259 -9.989 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.343 -8.024 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.055 -9.407 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.158 -7.999 -10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.383 -9.642 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.880 -9.205 -9.007 1.00 0.00 H new ATOM 301 N GLN A 24 -3.320 -6.835 -8.424 1.00 0.00 N ATOM 302 CA GLN A 24 -4.093 -5.606 -8.557 1.00 0.00 C ATOM 303 C GLN A 24 -4.189 -4.875 -7.222 1.00 0.00 C ATOM 304 O GLN A 24 -3.580 -3.823 -7.036 1.00 0.00 O ATOM 305 CB GLN A 24 -5.496 -5.915 -9.085 1.00 0.00 C ATOM 306 CG GLN A 24 -5.606 -5.843 -10.599 1.00 0.00 C ATOM 307 CD GLN A 24 -7.030 -5.628 -11.071 1.00 0.00 C ATOM 308 OE1 GLN A 24 -7.974 -6.181 -10.506 1.00 0.00 O ATOM 309 NE2 GLN A 24 -7.193 -4.819 -12.112 1.00 0.00 N ATOM 0 H GLN A 24 -3.861 -7.690 -8.553 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.579 -4.959 -9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.788 -6.912 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.204 -5.213 -8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.979 -5.031 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.219 -6.766 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.382 -4.382 -12.550 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.129 -4.635 -12.473 1.00 0.00 H new ATOM 318 N GLU A 25 -4.957 -5.442 -6.297 1.00 0.00 N ATOM 319 CA GLU A 25 -5.133 -4.843 -4.979 1.00 0.00 C ATOM 320 C GLU A 25 -3.836 -4.199 -4.497 1.00 0.00 C ATOM 321 O GLU A 25 -3.838 -3.083 -3.976 1.00 0.00 O ATOM 322 CB GLU A 25 -5.596 -5.897 -3.972 1.00 0.00 C ATOM 323 CG GLU A 25 -7.026 -6.361 -4.192 1.00 0.00 C ATOM 324 CD GLU A 25 -7.605 -7.062 -2.978 1.00 0.00 C ATOM 325 OE1 GLU A 25 -7.094 -6.836 -1.862 1.00 0.00 O ATOM 326 OE2 GLU A 25 -8.570 -7.838 -3.146 1.00 0.00 O ATOM 0 H GLU A 25 -5.467 -6.314 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.896 -4.069 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.931 -6.758 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.506 -5.490 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.648 -5.502 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.057 -7.037 -5.047 1.00 0.00 H new ATOM 333 N THR A 26 -2.727 -4.911 -4.674 1.00 0.00 N ATOM 334 CA THR A 26 -1.423 -4.412 -4.256 1.00 0.00 C ATOM 335 C THR A 26 -1.128 -3.053 -4.882 1.00 0.00 C ATOM 336 O THR A 26 -0.788 -2.097 -4.184 1.00 0.00 O ATOM 337 CB THR A 26 -0.298 -5.394 -4.635 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.521 -6.660 -4.005 1.00 0.00 O ATOM 339 CG2 THR A 26 1.060 -4.847 -4.220 1.00 0.00 C ATOM 0 H THR A 26 -2.706 -5.836 -5.104 1.00 0.00 H new ATOM 0 HA THR A 26 -1.456 -4.310 -3.171 1.00 0.00 H new ATOM 0 HB THR A 26 -0.305 -5.521 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.374 -7.033 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.839 -5.557 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.239 -3.897 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.076 -4.694 -3.141 1.00 0.00 H new ATOM 347 N LEU A 27 -1.261 -2.974 -6.202 1.00 0.00 N ATOM 348 CA LEU A 27 -1.009 -1.731 -6.922 1.00 0.00 C ATOM 349 C LEU A 27 -1.960 -0.631 -6.460 1.00 0.00 C ATOM 350 O LEU A 27 -1.529 0.456 -6.074 1.00 0.00 O ATOM 351 CB LEU A 27 -1.160 -1.952 -8.428 1.00 0.00 C ATOM 352 CG LEU A 27 -0.251 -3.015 -9.045 1.00 0.00 C ATOM 353 CD1 LEU A 27 -0.901 -3.624 -10.278 1.00 0.00 C ATOM 354 CD2 LEU A 27 1.105 -2.420 -9.395 1.00 0.00 C ATOM 0 H LEU A 27 -1.542 -3.755 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 27 0.012 -1.416 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.195 -2.225 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.974 -1.005 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.100 -3.806 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.239 -4.378 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.847 -4.087 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.083 -2.843 -11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.739 -3.191 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.973 -1.609 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.577 -2.033 -8.492 1.00 0.00 H new ATOM 366 N LEU A 28 -3.256 -0.922 -6.500 1.00 0.00 N ATOM 367 CA LEU A 28 -4.269 0.041 -6.084 1.00 0.00 C ATOM 368 C LEU A 28 -3.833 0.779 -4.822 1.00 0.00 C ATOM 369 O LEU A 28 -3.881 2.008 -4.760 1.00 0.00 O ATOM 370 CB LEU A 28 -5.603 -0.666 -5.839 1.00 0.00 C ATOM 371 CG LEU A 28 -6.384 -1.075 -7.088 1.00 0.00 C ATOM 372 CD1 LEU A 28 -7.330 0.037 -7.515 1.00 0.00 C ATOM 373 CD2 LEU A 28 -5.432 -1.432 -8.220 1.00 0.00 C ATOM 0 H LEU A 28 -3.630 -1.817 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.393 0.770 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.414 -1.560 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.234 -0.011 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.978 -1.957 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.877 -0.273 -8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.035 0.244 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.757 0.937 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.006 -1.721 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.811 -0.569 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.797 -2.263 -7.913 1.00 0.00 H new ATOM 385 N LEU A 29 -3.405 0.021 -3.818 1.00 0.00 N ATOM 386 CA LEU A 29 -2.957 0.602 -2.557 1.00 0.00 C ATOM 387 C LEU A 29 -1.907 1.682 -2.798 1.00 0.00 C ATOM 388 O LEU A 29 -2.051 2.816 -2.340 1.00 0.00 O ATOM 389 CB LEU A 29 -2.387 -0.485 -1.645 1.00 0.00 C ATOM 390 CG LEU A 29 -1.759 -0.003 -0.337 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.767 0.795 0.476 1.00 0.00 C ATOM 392 CD2 LEU A 29 -1.235 -1.183 0.469 1.00 0.00 C ATOM 0 H LEU A 29 -3.359 -0.997 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.818 1.060 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.187 -1.185 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.634 -1.041 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.919 0.649 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.303 1.130 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.095 1.661 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.627 0.167 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.791 -0.822 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.058 -1.860 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.480 -1.714 -0.111 1.00 0.00 H new ATOM 404 N LEU A 30 -0.852 1.323 -3.521 1.00 0.00 N ATOM 405 CA LEU A 30 0.222 2.262 -3.825 1.00 0.00 C ATOM 406 C LEU A 30 -0.320 3.497 -4.537 1.00 0.00 C ATOM 407 O LEU A 30 -0.117 4.624 -4.085 1.00 0.00 O ATOM 408 CB LEU A 30 1.286 1.586 -4.692 1.00 0.00 C ATOM 409 CG LEU A 30 2.289 0.700 -3.953 1.00 0.00 C ATOM 410 CD1 LEU A 30 2.975 -0.252 -4.921 1.00 0.00 C ATOM 411 CD2 LEU A 30 3.317 1.552 -3.222 1.00 0.00 C ATOM 0 H LEU A 30 -0.717 0.389 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 30 0.674 2.576 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.782 0.980 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.838 2.360 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 30 1.747 0.108 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.685 -0.875 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.228 -0.886 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.504 0.322 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.023 0.904 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.854 2.171 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.811 2.192 -2.499 1.00 0.00 H new ATOM 423 N GLU A 31 -1.012 3.277 -5.651 1.00 0.00 N ATOM 424 CA GLU A 31 -1.584 4.373 -6.424 1.00 0.00 C ATOM 425 C GLU A 31 -2.247 5.397 -5.507 1.00 0.00 C ATOM 426 O GLU A 31 -1.868 6.567 -5.489 1.00 0.00 O ATOM 427 CB GLU A 31 -2.603 3.838 -7.432 1.00 0.00 C ATOM 428 CG GLU A 31 -2.946 4.827 -8.534 1.00 0.00 C ATOM 429 CD GLU A 31 -1.737 5.218 -9.362 1.00 0.00 C ATOM 430 OE1 GLU A 31 -0.907 6.008 -8.865 1.00 0.00 O ATOM 431 OE2 GLU A 31 -1.622 4.734 -10.508 1.00 0.00 O ATOM 0 H GLU A 31 -1.190 2.350 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.775 4.865 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.211 2.926 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.516 3.565 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.703 4.391 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.384 5.722 -8.091 1.00 0.00 H new ATOM 438 N ALA A 32 -3.241 4.946 -4.747 1.00 0.00 N ATOM 439 CA ALA A 32 -3.957 5.821 -3.827 1.00 0.00 C ATOM 440 C ALA A 32 -3.016 6.399 -2.776 1.00 0.00 C ATOM 441 O ALA A 32 -3.099 7.580 -2.435 1.00 0.00 O ATOM 442 CB ALA A 32 -5.097 5.066 -3.160 1.00 0.00 C ATOM 0 H ALA A 32 -3.568 3.980 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.372 6.650 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.623 5.732 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.790 4.707 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.696 4.218 -2.605 1.00 0.00 H new ATOM 448 N LEU A 33 -2.122 5.560 -2.263 1.00 0.00 N ATOM 449 CA LEU A 33 -1.165 5.988 -1.249 1.00 0.00 C ATOM 450 C LEU A 33 -0.429 7.249 -1.691 1.00 0.00 C ATOM 451 O LEU A 33 0.179 7.942 -0.877 1.00 0.00 O ATOM 452 CB LEU A 33 -0.160 4.871 -0.964 1.00 0.00 C ATOM 453 CG LEU A 33 -0.544 3.890 0.145 1.00 0.00 C ATOM 454 CD1 LEU A 33 0.402 2.699 0.154 1.00 0.00 C ATOM 455 CD2 LEU A 33 -0.540 4.587 1.498 1.00 0.00 C ATOM 0 H LEU A 33 -2.040 4.580 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.717 6.213 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.004 4.306 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.795 5.327 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.553 3.526 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.114 2.011 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.350 2.186 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.421 3.045 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.815 3.874 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.456 4.980 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.258 5.407 1.487 1.00 0.00 H new ATOM 467 N GLU A 34 -0.491 7.540 -2.987 1.00 0.00 N ATOM 468 CA GLU A 34 0.169 8.718 -3.537 1.00 0.00 C ATOM 469 C GLU A 34 -0.748 9.936 -3.472 1.00 0.00 C ATOM 470 O GLU A 34 -0.288 11.064 -3.299 1.00 0.00 O ATOM 471 CB GLU A 34 0.594 8.463 -4.985 1.00 0.00 C ATOM 472 CG GLU A 34 1.517 7.267 -5.146 1.00 0.00 C ATOM 473 CD GLU A 34 2.065 7.139 -6.554 1.00 0.00 C ATOM 474 OE1 GLU A 34 1.405 6.490 -7.392 1.00 0.00 O ATOM 475 OE2 GLU A 34 3.155 7.689 -6.818 1.00 0.00 O ATOM 0 H GLU A 34 -0.991 6.977 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 34 1.056 8.920 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.296 8.309 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.094 9.352 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.346 7.355 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.975 6.357 -4.887 1.00 0.00 H new ATOM 482 N MET A 35 -2.048 9.698 -3.611 1.00 0.00 N ATOM 483 CA MET A 35 -3.031 10.774 -3.567 1.00 0.00 C ATOM 484 C MET A 35 -3.682 10.861 -2.191 1.00 0.00 C ATOM 485 O MET A 35 -3.654 11.909 -1.545 1.00 0.00 O ATOM 486 CB MET A 35 -4.102 10.560 -4.638 1.00 0.00 C ATOM 487 CG MET A 35 -3.558 10.594 -6.057 1.00 0.00 C ATOM 488 SD MET A 35 -4.851 10.413 -7.301 1.00 0.00 S ATOM 489 CE MET A 35 -5.290 8.690 -7.085 1.00 0.00 C ATOM 0 H MET A 35 -2.445 8.770 -3.755 1.00 0.00 H new ATOM 0 HA MET A 35 -2.513 11.713 -3.764 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.588 9.600 -4.467 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.868 11.328 -4.533 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.033 11.536 -6.218 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.826 9.796 -6.181 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.918 8.368 -7.915 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.384 8.084 -7.059 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.835 8.568 -6.149 1.00 0.00 H new ATOM 499 N TYR A 36 -4.267 9.754 -1.748 1.00 0.00 N ATOM 500 CA TYR A 36 -4.928 9.706 -0.448 1.00 0.00 C ATOM 501 C TYR A 36 -3.955 9.266 0.641 1.00 0.00 C ATOM 502 O TYR A 36 -4.357 8.702 1.659 1.00 0.00 O ATOM 503 CB TYR A 36 -6.123 8.752 -0.495 1.00 0.00 C ATOM 504 CG TYR A 36 -6.974 8.909 -1.735 1.00 0.00 C ATOM 505 CD1 TYR A 36 -7.262 10.167 -2.250 1.00 0.00 C ATOM 506 CD2 TYR A 36 -7.490 7.798 -2.392 1.00 0.00 C ATOM 507 CE1 TYR A 36 -8.040 10.314 -3.382 1.00 0.00 C ATOM 508 CE2 TYR A 36 -8.267 7.936 -3.526 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.539 9.196 -4.017 1.00 0.00 C ATOM 510 OH TYR A 36 -9.314 9.338 -5.145 1.00 0.00 O ATOM 0 H TYR A 36 -4.297 8.878 -2.269 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.282 10.709 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.760 7.726 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.744 8.917 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.871 11.045 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.280 6.810 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.256 11.299 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.659 7.062 -4.025 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.584 8.454 -5.470 1.00 0.00 H new ATOM 520 N LYS A 37 -2.671 9.530 0.420 1.00 0.00 N ATOM 521 CA LYS A 37 -1.638 9.165 1.383 1.00 0.00 C ATOM 522 C LYS A 37 -2.156 9.291 2.812 1.00 0.00 C ATOM 523 O LYS A 37 -2.430 8.290 3.474 1.00 0.00 O ATOM 524 CB LYS A 37 -0.403 10.049 1.196 1.00 0.00 C ATOM 525 CG LYS A 37 0.758 9.669 2.098 1.00 0.00 C ATOM 526 CD LYS A 37 1.355 8.329 1.704 1.00 0.00 C ATOM 527 CE LYS A 37 2.482 8.495 0.696 1.00 0.00 C ATOM 528 NZ LYS A 37 2.948 7.185 0.164 1.00 0.00 N ATOM 0 H LYS A 37 -2.321 9.995 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.363 8.125 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.079 9.991 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.677 11.087 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.527 10.440 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.417 9.626 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.732 7.822 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.577 7.694 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.142 9.122 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.317 9.013 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.914 7.285 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.941 6.478 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.314 6.875 -0.600 1.00 0.00 H new ATOM 542 N ASP A 38 -2.290 10.527 3.280 1.00 0.00 N ATOM 543 CA ASP A 38 -2.778 10.785 4.630 1.00 0.00 C ATOM 544 C ASP A 38 -4.300 10.692 4.685 1.00 0.00 C ATOM 545 O ASP A 38 -4.884 10.545 5.758 1.00 0.00 O ATOM 546 CB ASP A 38 -2.321 12.165 5.106 1.00 0.00 C ATOM 547 CG ASP A 38 -2.155 12.232 6.611 1.00 0.00 C ATOM 548 OD1 ASP A 38 -3.161 12.480 7.308 1.00 0.00 O ATOM 549 OD2 ASP A 38 -1.019 12.038 7.092 1.00 0.00 O ATOM 0 H ASP A 38 -2.068 11.366 2.745 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.362 10.025 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.374 12.416 4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.047 12.914 4.790 1.00 0.00 H new ATOM 554 N ASP A 39 -4.935 10.779 3.521 1.00 0.00 N ATOM 555 CA ASP A 39 -6.389 10.705 3.436 1.00 0.00 C ATOM 556 C ASP A 39 -6.851 9.260 3.275 1.00 0.00 C ATOM 557 O ASP A 39 -7.668 8.953 2.407 1.00 0.00 O ATOM 558 CB ASP A 39 -6.896 11.549 2.266 1.00 0.00 C ATOM 559 CG ASP A 39 -6.839 13.036 2.557 1.00 0.00 C ATOM 560 OD1 ASP A 39 -7.786 13.554 3.186 1.00 0.00 O ATOM 561 OD2 ASP A 39 -5.848 13.681 2.158 1.00 0.00 O ATOM 0 H ASP A 39 -4.466 10.901 2.624 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.803 11.099 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.299 11.332 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.923 11.266 2.036 1.00 0.00 H new ATOM 566 N TRP A 40 -6.321 8.378 4.114 1.00 0.00 N ATOM 567 CA TRP A 40 -6.678 6.965 4.064 1.00 0.00 C ATOM 568 C TRP A 40 -8.187 6.790 3.928 1.00 0.00 C ATOM 569 O TRP A 40 -8.655 5.904 3.214 1.00 0.00 O ATOM 570 CB TRP A 40 -6.180 6.247 5.319 1.00 0.00 C ATOM 571 CG TRP A 40 -4.703 6.382 5.534 1.00 0.00 C ATOM 572 CD1 TRP A 40 -4.055 7.416 6.148 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.690 5.452 5.135 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.701 7.185 6.154 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.451 5.987 5.540 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.709 4.219 4.478 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.246 5.330 5.306 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.512 3.569 4.246 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.294 4.125 4.660 1.00 0.00 C ATOM 0 H TRP A 40 -5.642 8.616 4.837 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.199 6.525 3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.704 6.644 6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.435 5.189 5.249 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.537 8.287 6.567 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.996 7.806 6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.643 3.782 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.306 5.757 5.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.515 2.616 3.737 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.375 3.592 4.465 1.00 0.00 H new ATOM 590 N ASN A 41 -8.942 7.640 4.616 1.00 0.00 N ATOM 591 CA ASN A 41 -10.398 7.577 4.571 1.00 0.00 C ATOM 592 C ASN A 41 -10.885 7.238 3.165 1.00 0.00 C ATOM 593 O ASN A 41 -11.882 6.537 2.994 1.00 0.00 O ATOM 594 CB ASN A 41 -11.000 8.909 5.024 1.00 0.00 C ATOM 595 CG ASN A 41 -10.897 9.110 6.524 1.00 0.00 C ATOM 596 OD1 ASN A 41 -9.863 8.826 7.129 1.00 0.00 O ATOM 597 ND2 ASN A 41 -11.971 9.602 7.130 1.00 0.00 N ATOM 0 H ASN A 41 -8.570 8.380 5.211 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.724 6.788 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.490 9.727 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.048 8.951 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.961 9.759 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.806 9.823 6.588 1.00 0.00 H new ATOM 604 N LYS A 42 -10.174 7.740 2.162 1.00 0.00 N ATOM 605 CA LYS A 42 -10.530 7.490 0.770 1.00 0.00 C ATOM 606 C LYS A 42 -9.876 6.209 0.262 1.00 0.00 C ATOM 607 O LYS A 42 -10.504 5.414 -0.437 1.00 0.00 O ATOM 608 CB LYS A 42 -10.110 8.672 -0.106 1.00 0.00 C ATOM 609 CG LYS A 42 -11.170 9.755 -0.216 1.00 0.00 C ATOM 610 CD LYS A 42 -11.081 10.489 -1.544 1.00 0.00 C ATOM 611 CE LYS A 42 -11.914 11.761 -1.533 1.00 0.00 C ATOM 612 NZ LYS A 42 -12.332 12.162 -2.906 1.00 0.00 N ATOM 0 H LYS A 42 -9.347 8.323 2.287 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.612 7.371 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.198 9.108 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.871 8.306 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.159 9.309 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.052 10.465 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.041 10.736 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.423 9.835 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.798 11.611 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.339 12.568 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.898 13.033 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.488 12.330 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.902 11.403 -3.331 1.00 0.00 H new ATOM 626 N VAL A 43 -8.610 6.015 0.620 1.00 0.00 N ATOM 627 CA VAL A 43 -7.872 4.829 0.203 1.00 0.00 C ATOM 628 C VAL A 43 -8.751 3.585 0.262 1.00 0.00 C ATOM 629 O VAL A 43 -8.912 2.879 -0.734 1.00 0.00 O ATOM 630 CB VAL A 43 -6.626 4.606 1.081 1.00 0.00 C ATOM 631 CG1 VAL A 43 -5.931 3.307 0.702 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.672 5.785 0.961 1.00 0.00 C ATOM 0 H VAL A 43 -8.075 6.664 1.197 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.557 4.998 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.945 4.530 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.053 3.167 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.617 2.472 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.624 3.350 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.797 5.611 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.358 5.895 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.176 6.695 1.286 1.00 0.00 H new ATOM 642 N SER A 44 -9.318 3.322 1.435 1.00 0.00 N ATOM 643 CA SER A 44 -10.179 2.161 1.625 1.00 0.00 C ATOM 644 C SER A 44 -11.114 1.977 0.434 1.00 0.00 C ATOM 645 O SER A 44 -11.255 0.874 -0.093 1.00 0.00 O ATOM 646 CB SER A 44 -10.995 2.309 2.911 1.00 0.00 C ATOM 647 OG SER A 44 -11.940 3.358 2.796 1.00 0.00 O ATOM 0 H SER A 44 -9.196 3.898 2.268 1.00 0.00 H new ATOM 0 HA SER A 44 -9.544 1.279 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.510 1.373 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.327 2.507 3.749 1.00 0.00 H new ATOM 0 HG SER A 44 -11.492 4.219 2.932 1.00 0.00 H new ATOM 653 N GLU A 45 -11.751 3.067 0.016 1.00 0.00 N ATOM 654 CA GLU A 45 -12.674 3.026 -1.112 1.00 0.00 C ATOM 655 C GLU A 45 -11.933 2.715 -2.410 1.00 0.00 C ATOM 656 O GLU A 45 -12.406 1.935 -3.237 1.00 0.00 O ATOM 657 CB GLU A 45 -13.415 4.358 -1.242 1.00 0.00 C ATOM 658 CG GLU A 45 -14.283 4.691 -0.040 1.00 0.00 C ATOM 659 CD GLU A 45 -15.607 3.950 -0.053 1.00 0.00 C ATOM 660 OE1 GLU A 45 -16.081 3.604 -1.156 1.00 0.00 O ATOM 661 OE2 GLU A 45 -16.167 3.716 1.038 1.00 0.00 O ATOM 0 H GLU A 45 -11.645 3.988 0.441 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.398 2.232 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.687 5.156 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.040 4.331 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.742 4.445 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.472 5.764 -0.019 1.00 0.00 H new ATOM 668 N HIS A 46 -10.768 3.333 -2.582 1.00 0.00 N ATOM 669 CA HIS A 46 -9.961 3.123 -3.779 1.00 0.00 C ATOM 670 C HIS A 46 -9.773 1.634 -4.053 1.00 0.00 C ATOM 671 O HIS A 46 -10.101 1.145 -5.134 1.00 0.00 O ATOM 672 CB HIS A 46 -8.600 3.801 -3.627 1.00 0.00 C ATOM 673 CG HIS A 46 -7.740 3.700 -4.849 1.00 0.00 C ATOM 674 ND1 HIS A 46 -7.866 4.546 -5.930 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.737 2.845 -5.157 1.00 0.00 C ATOM 676 CE1 HIS A 46 -6.978 4.216 -6.851 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.280 3.187 -6.406 1.00 0.00 N ATOM 0 H HIS A 46 -10.362 3.983 -1.908 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.487 3.566 -4.624 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.752 4.853 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.073 3.354 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.365 2.043 -4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.846 4.704 -7.805 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.524 2.722 -6.909 1.00 0.00 H new ATOM 686 N VAL A 47 -9.242 0.918 -3.067 1.00 0.00 N ATOM 687 CA VAL A 47 -9.011 -0.515 -3.201 1.00 0.00 C ATOM 688 C VAL A 47 -10.300 -1.250 -3.550 1.00 0.00 C ATOM 689 O VAL A 47 -10.431 -1.815 -4.636 1.00 0.00 O ATOM 690 CB VAL A 47 -8.426 -1.113 -1.908 1.00 0.00 C ATOM 691 CG1 VAL A 47 -8.176 -2.604 -2.074 1.00 0.00 C ATOM 692 CG2 VAL A 47 -7.146 -0.390 -1.518 1.00 0.00 C ATOM 0 H VAL A 47 -8.964 1.307 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.292 -0.645 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.151 -0.978 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.763 -3.009 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.116 -3.107 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.470 -2.766 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.747 -0.826 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.413 -0.491 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.360 0.666 -1.354 1.00 0.00 H new ATOM 702 N GLY A 48 -11.252 -1.238 -2.622 1.00 0.00 N ATOM 703 CA GLY A 48 -12.519 -1.907 -2.851 1.00 0.00 C ATOM 704 C GLY A 48 -12.856 -2.901 -1.757 1.00 0.00 C ATOM 705 O GLY A 48 -13.823 -2.716 -1.017 1.00 0.00 O ATOM 0 H GLY A 48 -11.168 -0.777 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.312 -1.163 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.485 -2.424 -3.810 1.00 0.00 H new ATOM 709 N SER A 49 -12.058 -3.959 -1.655 1.00 0.00 N ATOM 710 CA SER A 49 -12.280 -4.989 -0.647 1.00 0.00 C ATOM 711 C SER A 49 -11.277 -4.857 0.495 1.00 0.00 C ATOM 712 O SER A 49 -10.751 -5.853 0.992 1.00 0.00 O ATOM 713 CB SER A 49 -12.173 -6.379 -1.277 1.00 0.00 C ATOM 714 OG SER A 49 -12.417 -7.394 -0.318 1.00 0.00 O ATOM 0 H SER A 49 -11.252 -4.125 -2.258 1.00 0.00 H new ATOM 0 HA SER A 49 -13.284 -4.857 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.889 -6.467 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.180 -6.511 -1.707 1.00 0.00 H new ATOM 0 HG SER A 49 -11.801 -7.286 0.436 1.00 0.00 H new ATOM 720 N ARG A 50 -11.017 -3.620 0.905 1.00 0.00 N ATOM 721 CA ARG A 50 -10.077 -3.356 1.988 1.00 0.00 C ATOM 722 C ARG A 50 -10.485 -2.112 2.771 1.00 0.00 C ATOM 723 O ARG A 50 -11.295 -1.309 2.306 1.00 0.00 O ATOM 724 CB ARG A 50 -8.663 -3.180 1.432 1.00 0.00 C ATOM 725 CG ARG A 50 -8.094 -4.443 0.805 1.00 0.00 C ATOM 726 CD ARG A 50 -7.721 -5.470 1.862 1.00 0.00 C ATOM 727 NE ARG A 50 -7.107 -6.659 1.278 1.00 0.00 N ATOM 728 CZ ARG A 50 -6.846 -7.765 1.966 1.00 0.00 C ATOM 729 NH1 ARG A 50 -7.144 -7.833 3.256 1.00 0.00 N ATOM 730 NH2 ARG A 50 -6.286 -8.806 1.363 1.00 0.00 N ATOM 0 H ARG A 50 -11.444 -2.785 0.504 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.091 -4.211 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.671 -2.386 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.003 -2.855 2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.826 -4.873 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.214 -4.192 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.032 -5.020 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.613 -5.759 2.418 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.865 -6.639 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.575 -7.035 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.943 -8.683 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.056 -8.757 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.086 -9.655 1.892 1.00 0.00 H new ATOM 744 N THR A 51 -9.919 -1.958 3.964 1.00 0.00 N ATOM 745 CA THR A 51 -10.225 -0.813 4.813 1.00 0.00 C ATOM 746 C THR A 51 -8.982 0.033 5.063 1.00 0.00 C ATOM 747 O THR A 51 -7.894 -0.292 4.590 1.00 0.00 O ATOM 748 CB THR A 51 -10.810 -1.258 6.167 1.00 0.00 C ATOM 749 OG1 THR A 51 -9.958 -2.238 6.770 1.00 0.00 O ATOM 750 CG2 THR A 51 -12.207 -1.833 5.990 1.00 0.00 C ATOM 0 H THR A 51 -9.246 -2.612 4.364 1.00 0.00 H new ATOM 0 HA THR A 51 -10.967 -0.216 4.283 1.00 0.00 H new ATOM 0 HB THR A 51 -10.874 -0.384 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.336 -2.515 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.599 -2.140 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.860 -1.075 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.164 -2.696 5.326 1.00 0.00 H new ATOM 758 N GLN A 52 -9.152 1.120 5.810 1.00 0.00 N ATOM 759 CA GLN A 52 -8.043 2.013 6.122 1.00 0.00 C ATOM 760 C GLN A 52 -6.890 1.246 6.762 1.00 0.00 C ATOM 761 O GLN A 52 -5.799 1.161 6.198 1.00 0.00 O ATOM 762 CB GLN A 52 -8.508 3.131 7.056 1.00 0.00 C ATOM 763 CG GLN A 52 -9.653 3.958 6.493 1.00 0.00 C ATOM 764 CD GLN A 52 -10.556 4.518 7.574 1.00 0.00 C ATOM 765 OE1 GLN A 52 -10.330 4.297 8.764 1.00 0.00 O ATOM 766 NE2 GLN A 52 -11.587 5.248 7.165 1.00 0.00 N ATOM 0 H GLN A 52 -10.047 1.403 6.210 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.690 2.452 5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.819 2.694 8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.666 3.789 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.247 4.779 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.243 3.341 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.737 5.406 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.229 5.651 7.847 1.00 0.00 H new ATOM 775 N ASP A 53 -7.140 0.690 7.942 1.00 0.00 N ATOM 776 CA ASP A 53 -6.123 -0.070 8.659 1.00 0.00 C ATOM 777 C ASP A 53 -5.420 -1.051 7.727 1.00 0.00 C ATOM 778 O ASP A 53 -4.212 -0.959 7.510 1.00 0.00 O ATOM 779 CB ASP A 53 -6.752 -0.824 9.832 1.00 0.00 C ATOM 780 CG ASP A 53 -7.607 0.074 10.705 1.00 0.00 C ATOM 781 OD1 ASP A 53 -7.144 1.181 11.051 1.00 0.00 O ATOM 782 OD2 ASP A 53 -8.739 -0.332 11.044 1.00 0.00 O ATOM 0 H ASP A 53 -8.038 0.751 8.422 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.383 0.632 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.362 -1.642 9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.964 -1.271 10.438 1.00 0.00 H new ATOM 787 N GLU A 54 -6.185 -1.990 7.178 1.00 0.00 N ATOM 788 CA GLU A 54 -5.633 -2.990 6.270 1.00 0.00 C ATOM 789 C GLU A 54 -4.621 -2.360 5.318 1.00 0.00 C ATOM 790 O GLU A 54 -3.454 -2.751 5.289 1.00 0.00 O ATOM 791 CB GLU A 54 -6.754 -3.659 5.472 1.00 0.00 C ATOM 792 CG GLU A 54 -7.387 -4.842 6.185 1.00 0.00 C ATOM 793 CD GLU A 54 -6.481 -6.058 6.213 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.773 -6.294 5.212 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.481 -6.773 7.237 1.00 0.00 O ATOM 0 H GLU A 54 -7.187 -2.079 7.346 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.122 -3.745 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.526 -2.920 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.357 -3.993 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.636 -4.555 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.323 -5.102 5.690 1.00 0.00 H new ATOM 802 N CYS A 55 -5.077 -1.384 4.541 1.00 0.00 N ATOM 803 CA CYS A 55 -4.213 -0.700 3.585 1.00 0.00 C ATOM 804 C CYS A 55 -2.864 -0.367 4.214 1.00 0.00 C ATOM 805 O CYS A 55 -1.813 -0.675 3.651 1.00 0.00 O ATOM 806 CB CYS A 55 -4.884 0.578 3.082 1.00 0.00 C ATOM 807 SG CYS A 55 -6.395 0.294 2.130 1.00 0.00 S ATOM 0 H CYS A 55 -6.040 -1.048 4.554 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.045 -1.369 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.120 1.212 3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.175 1.128 2.463 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.399 0.150 2.943 1.00 0.00 H new ATOM 813 N ILE A 56 -2.901 0.263 5.383 1.00 0.00 N ATOM 814 CA ILE A 56 -1.682 0.639 6.088 1.00 0.00 C ATOM 815 C ILE A 56 -0.826 -0.585 6.395 1.00 0.00 C ATOM 816 O ILE A 56 0.395 -0.559 6.234 1.00 0.00 O ATOM 817 CB ILE A 56 -1.996 1.375 7.403 1.00 0.00 C ATOM 818 CG1 ILE A 56 -2.819 2.634 7.125 1.00 0.00 C ATOM 819 CG2 ILE A 56 -0.708 1.728 8.133 1.00 0.00 C ATOM 820 CD1 ILE A 56 -3.745 3.013 8.259 1.00 0.00 C ATOM 0 H ILE A 56 -3.763 0.524 5.862 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.130 1.310 5.429 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.583 0.714 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.142 3.465 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.408 2.481 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.946 2.248 9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.157 0.816 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.097 2.374 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.297 3.915 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.447 2.199 8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.160 3.199 9.160 1.00 0.00 H new ATOM 832 N LEU A 57 -1.474 -1.658 6.836 1.00 0.00 N ATOM 833 CA LEU A 57 -0.772 -2.894 7.164 1.00 0.00 C ATOM 834 C LEU A 57 -0.099 -3.483 5.928 1.00 0.00 C ATOM 835 O LEU A 57 1.105 -3.740 5.927 1.00 0.00 O ATOM 836 CB LEU A 57 -1.745 -3.912 7.763 1.00 0.00 C ATOM 837 CG LEU A 57 -2.586 -3.422 8.942 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.606 -4.477 9.344 1.00 0.00 C ATOM 839 CD2 LEU A 57 -1.694 -3.063 10.121 1.00 0.00 C ATOM 0 H LEU A 57 -2.484 -1.697 6.975 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.001 -2.661 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.420 -4.247 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.175 -4.783 8.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.123 -2.525 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.196 -4.111 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.265 -4.685 8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.089 -5.391 9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.310 -2.716 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.129 -3.942 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.003 -2.273 9.827 1.00 0.00 H new ATOM 851 N HIS A 58 -0.885 -3.693 4.877 1.00 0.00 N ATOM 852 CA HIS A 58 -0.365 -4.249 3.633 1.00 0.00 C ATOM 853 C HIS A 58 0.775 -3.392 3.089 1.00 0.00 C ATOM 854 O HIS A 58 1.675 -3.893 2.415 1.00 0.00 O ATOM 855 CB HIS A 58 -1.479 -4.357 2.592 1.00 0.00 C ATOM 856 CG HIS A 58 -1.039 -4.983 1.305 1.00 0.00 C ATOM 857 ND1 HIS A 58 -1.270 -4.624 0.020 1.00 0.00 N flip ATOM 858 CD2 HIS A 58 -0.264 -6.123 1.249 1.00 0.00 C flip ATOM 859 CE1 HIS A 58 -0.636 -5.543 -0.780 1.00 0.00 C flip ATOM 860 NE2 HIS A 58 -0.036 -6.436 -0.014 1.00 0.00 N flip ATOM 0 H HIS A 58 -1.884 -3.487 4.862 1.00 0.00 H new ATOM 0 HA HIS A 58 0.022 -5.246 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.299 -4.942 3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.870 -3.361 2.386 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -1.814 -3.821 -0.295 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.099 -6.674 2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.629 -5.536 -1.860 1.00 0.00 H new ATOM 869 N PHE A 59 0.728 -2.098 3.386 1.00 0.00 N ATOM 870 CA PHE A 59 1.756 -1.171 2.926 1.00 0.00 C ATOM 871 C PHE A 59 3.106 -1.499 3.555 1.00 0.00 C ATOM 872 O PHE A 59 4.124 -1.574 2.866 1.00 0.00 O ATOM 873 CB PHE A 59 1.360 0.269 3.261 1.00 0.00 C ATOM 874 CG PHE A 59 2.535 1.190 3.428 1.00 0.00 C ATOM 875 CD1 PHE A 59 3.081 1.843 2.335 1.00 0.00 C ATOM 876 CD2 PHE A 59 3.094 1.401 4.678 1.00 0.00 C ATOM 877 CE1 PHE A 59 4.162 2.691 2.486 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.174 2.248 4.835 1.00 0.00 C ATOM 879 CZ PHE A 59 4.710 2.893 3.737 1.00 0.00 C ATOM 0 H PHE A 59 -0.010 -1.667 3.943 1.00 0.00 H new ATOM 0 HA PHE A 59 1.845 -1.274 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.716 0.654 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.773 0.272 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.657 1.688 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.681 0.898 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.578 3.195 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.599 2.406 5.815 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.556 3.554 3.857 1.00 0.00 H new ATOM 889 N LEU A 60 3.108 -1.693 4.870 1.00 0.00 N ATOM 890 CA LEU A 60 4.333 -2.012 5.594 1.00 0.00 C ATOM 891 C LEU A 60 5.118 -3.107 4.880 1.00 0.00 C ATOM 892 O LEU A 60 6.342 -3.038 4.773 1.00 0.00 O ATOM 893 CB LEU A 60 4.004 -2.453 7.022 1.00 0.00 C ATOM 894 CG LEU A 60 3.335 -1.404 7.911 1.00 0.00 C ATOM 895 CD1 LEU A 60 2.688 -2.062 9.119 1.00 0.00 C ATOM 896 CD2 LEU A 60 4.347 -0.355 8.351 1.00 0.00 C ATOM 0 H LEU A 60 2.275 -1.635 5.456 1.00 0.00 H new ATOM 0 HA LEU A 60 4.949 -1.114 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.353 -3.325 6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.928 -2.773 7.504 1.00 0.00 H new ATOM 0 HG LEU A 60 2.555 -0.909 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.217 -1.300 9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.934 -2.775 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.448 -2.584 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.854 0.384 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.148 -0.835 8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.764 0.139 7.473 1.00 0.00 H new ATOM 908 N ARG A 61 4.405 -4.117 4.392 1.00 0.00 N ATOM 909 CA ARG A 61 5.035 -5.227 3.687 1.00 0.00 C ATOM 910 C ARG A 61 5.761 -4.735 2.438 1.00 0.00 C ATOM 911 O ARG A 61 6.967 -4.937 2.288 1.00 0.00 O ATOM 912 CB ARG A 61 3.989 -6.274 3.302 1.00 0.00 C ATOM 913 CG ARG A 61 3.550 -7.152 4.463 1.00 0.00 C ATOM 914 CD ARG A 61 2.670 -6.386 5.439 1.00 0.00 C ATOM 915 NE ARG A 61 2.291 -7.201 6.589 1.00 0.00 N ATOM 916 CZ ARG A 61 1.252 -8.029 6.593 1.00 0.00 C ATOM 917 NH1 ARG A 61 0.494 -8.152 5.512 1.00 0.00 N ATOM 918 NH2 ARG A 61 0.971 -8.738 7.679 1.00 0.00 N ATOM 0 H ARG A 61 3.391 -4.189 4.472 1.00 0.00 H new ATOM 0 HA ARG A 61 5.765 -5.682 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.116 -5.768 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.394 -6.906 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.006 -8.016 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.428 -7.533 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.199 -5.497 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.772 -6.044 4.925 1.00 0.00 H new ATOM 0 HE ARG A 61 2.855 -7.131 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.708 -7.610 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.303 -8.788 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.553 -8.648 8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.173 -9.373 7.681 1.00 0.00 H new ATOM 932 N LEU A 62 5.020 -4.090 1.545 1.00 0.00 N ATOM 933 CA LEU A 62 5.593 -3.569 0.308 1.00 0.00 C ATOM 934 C LEU A 62 7.009 -3.053 0.539 1.00 0.00 C ATOM 935 O LEU A 62 7.339 -2.527 1.602 1.00 0.00 O ATOM 936 CB LEU A 62 4.714 -2.449 -0.252 1.00 0.00 C ATOM 937 CG LEU A 62 3.257 -2.816 -0.535 1.00 0.00 C ATOM 938 CD1 LEU A 62 2.481 -1.596 -1.007 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.179 -3.932 -1.567 1.00 0.00 C ATOM 0 H LEU A 62 4.021 -3.915 1.654 1.00 0.00 H new ATOM 0 HA LEU A 62 5.637 -4.384 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.728 -1.617 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.164 -2.090 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 62 2.806 -3.172 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.446 -1.877 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.508 -0.827 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.932 -1.209 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.135 -4.180 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.648 -3.603 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.699 -4.813 -1.190 1.00 0.00 H new ATOM 951 N PRO A 63 7.868 -3.203 -0.481 1.00 0.00 N ATOM 952 CA PRO A 63 9.262 -2.756 -0.414 1.00 0.00 C ATOM 953 C PRO A 63 9.384 -1.236 -0.407 1.00 0.00 C ATOM 954 O PRO A 63 9.174 -0.583 -1.430 1.00 0.00 O ATOM 955 CB PRO A 63 9.882 -3.336 -1.687 1.00 0.00 C ATOM 956 CG PRO A 63 8.738 -3.492 -2.629 1.00 0.00 C ATOM 957 CD PRO A 63 7.543 -3.821 -1.777 1.00 0.00 C ATOM 0 HA PRO A 63 9.751 -3.084 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.643 -2.671 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.367 -4.292 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.572 -2.577 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.932 -4.285 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.624 -3.412 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.400 -4.898 -1.684 1.00 0.00 H new ATOM 965 N ILE A 64 9.724 -0.679 0.750 1.00 0.00 N ATOM 966 CA ILE A 64 9.875 0.764 0.888 1.00 0.00 C ATOM 967 C ILE A 64 10.977 1.291 -0.024 1.00 0.00 C ATOM 968 O ILE A 64 12.109 0.810 0.014 1.00 0.00 O ATOM 969 CB ILE A 64 10.193 1.160 2.342 1.00 0.00 C ATOM 970 CG1 ILE A 64 10.077 2.676 2.518 1.00 0.00 C ATOM 971 CG2 ILE A 64 11.585 0.682 2.729 1.00 0.00 C ATOM 972 CD1 ILE A 64 9.678 3.093 3.916 1.00 0.00 C ATOM 0 H ILE A 64 9.900 -1.205 1.606 1.00 0.00 H new ATOM 0 HA ILE A 64 8.924 1.210 0.599 1.00 0.00 H new ATOM 0 HB ILE A 64 9.469 0.680 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.033 3.137 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.344 3.061 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.795 0.969 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.636 -0.403 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.323 1.137 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.615 4.180 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.708 2.661 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.423 2.739 4.628 1.00 0.00 H new ATOM 984 N GLU A 65 10.638 2.283 -0.841 1.00 0.00 N ATOM 985 CA GLU A 65 11.600 2.876 -1.762 1.00 0.00 C ATOM 986 C GLU A 65 12.903 3.217 -1.043 1.00 0.00 C ATOM 987 O GLU A 65 12.946 4.122 -0.209 1.00 0.00 O ATOM 988 CB GLU A 65 11.015 4.136 -2.405 1.00 0.00 C ATOM 989 CG GLU A 65 11.666 4.502 -3.728 1.00 0.00 C ATOM 990 CD GLU A 65 10.895 5.568 -4.482 1.00 0.00 C ATOM 991 OE1 GLU A 65 10.165 6.345 -3.831 1.00 0.00 O ATOM 992 OE2 GLU A 65 11.022 5.625 -5.723 1.00 0.00 O ATOM 0 H GLU A 65 9.705 2.693 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 65 11.815 2.145 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.946 3.990 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.124 4.971 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.681 4.855 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.746 3.609 -4.349 1.00 0.00 H new ATOM 999 N ASP A 66 13.962 2.485 -1.372 1.00 0.00 N ATOM 1000 CA ASP A 66 15.266 2.709 -0.759 1.00 0.00 C ATOM 1001 C ASP A 66 16.345 1.896 -1.466 1.00 0.00 C ATOM 1002 O ASP A 66 16.119 0.769 -1.907 1.00 0.00 O ATOM 1003 CB ASP A 66 15.225 2.344 0.725 1.00 0.00 C ATOM 1004 CG ASP A 66 14.794 3.508 1.597 1.00 0.00 C ATOM 1005 OD1 ASP A 66 15.626 4.407 1.839 1.00 0.00 O ATOM 1006 OD2 ASP A 66 13.625 3.519 2.034 1.00 0.00 O ATOM 0 H ASP A 66 13.943 1.732 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 66 15.510 3.767 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.539 1.510 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.212 2.004 1.040 1.00 0.00 H new ATOM 1011 N PRO A 67 17.547 2.480 -1.580 1.00 0.00 N ATOM 1012 CA PRO A 67 18.686 1.828 -2.234 1.00 0.00 C ATOM 1013 C PRO A 67 19.224 0.653 -1.424 1.00 0.00 C ATOM 1014 O PRO A 67 19.397 -0.448 -1.948 1.00 0.00 O ATOM 1015 CB PRO A 67 19.732 2.942 -2.320 1.00 0.00 C ATOM 1016 CG PRO A 67 19.385 3.873 -1.210 1.00 0.00 C ATOM 1017 CD PRO A 67 17.888 3.822 -1.079 1.00 0.00 C ATOM 0 HA PRO A 67 18.414 1.406 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.741 2.547 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.695 3.446 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.868 3.570 -0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.723 4.886 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.570 3.958 -0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.406 4.604 -1.666 1.00 0.00 H new ATOM 1025 N TYR A 68 19.487 0.894 -0.144 1.00 0.00 N ATOM 1026 CA TYR A 68 20.008 -0.144 0.737 1.00 0.00 C ATOM 1027 C TYR A 68 19.248 -0.166 2.060 1.00 0.00 C ATOM 1028 O TYR A 68 18.906 -1.231 2.575 1.00 0.00 O ATOM 1029 CB TYR A 68 21.499 0.078 0.996 1.00 0.00 C ATOM 1030 CG TYR A 68 21.780 1.009 2.154 1.00 0.00 C ATOM 1031 CD1 TYR A 68 21.524 2.370 2.056 1.00 0.00 C ATOM 1032 CD2 TYR A 68 22.302 0.525 3.348 1.00 0.00 C ATOM 1033 CE1 TYR A 68 21.780 3.224 3.111 1.00 0.00 C ATOM 1034 CE2 TYR A 68 22.560 1.371 4.410 1.00 0.00 C ATOM 1035 CZ TYR A 68 22.298 2.720 4.286 1.00 0.00 C ATOM 1036 OH TYR A 68 22.554 3.566 5.340 1.00 0.00 O ATOM 0 H TYR A 68 19.348 1.799 0.306 1.00 0.00 H new ATOM 0 HA TYR A 68 19.872 -1.106 0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 68 21.973 -0.884 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 68 21.959 0.483 0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 68 21.117 2.768 1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.509 -0.530 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.576 4.280 3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 68 22.964 0.979 5.331 1.00 0.00 H new ATOM 0 HH TYR A 68 22.915 3.052 6.092 1.00 0.00 H new ATOM 1046 N LEU A 69 18.988 1.017 2.605 1.00 0.00 N ATOM 1047 CA LEU A 69 18.268 1.136 3.868 1.00 0.00 C ATOM 1048 C LEU A 69 17.037 0.234 3.881 1.00 0.00 C ATOM 1049 O LEU A 69 16.084 0.460 3.136 1.00 0.00 O ATOM 1050 CB LEU A 69 17.853 2.588 4.107 1.00 0.00 C ATOM 1051 CG LEU A 69 17.464 2.949 5.541 1.00 0.00 C ATOM 1052 CD1 LEU A 69 18.691 3.368 6.337 1.00 0.00 C ATOM 1053 CD2 LEU A 69 16.418 4.053 5.549 1.00 0.00 C ATOM 0 H LEU A 69 19.265 1.908 2.192 1.00 0.00 H new ATOM 0 HA LEU A 69 18.936 0.819 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.676 3.235 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.010 2.816 3.455 1.00 0.00 H new ATOM 0 HG LEU A 69 17.033 2.066 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.395 3.621 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.407 2.547 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.151 4.237 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.154 4.296 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.821 4.939 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.529 3.716 5.016 1.00 0.00 H new ATOM 1065 N GLU A 70 17.065 -0.785 4.733 1.00 0.00 N ATOM 1066 CA GLU A 70 15.950 -1.719 4.843 1.00 0.00 C ATOM 1067 C GLU A 70 15.025 -1.329 5.991 1.00 0.00 C ATOM 1068 O GLU A 70 15.388 -1.444 7.161 1.00 0.00 O ATOM 1069 CB GLU A 70 16.468 -3.144 5.051 1.00 0.00 C ATOM 1070 CG GLU A 70 16.718 -3.896 3.755 1.00 0.00 C ATOM 1071 CD GLU A 70 17.020 -5.365 3.983 1.00 0.00 C ATOM 1072 OE1 GLU A 70 18.189 -5.691 4.278 1.00 0.00 O ATOM 1073 OE2 GLU A 70 16.088 -6.188 3.865 1.00 0.00 O ATOM 0 H GLU A 70 17.847 -0.985 5.357 1.00 0.00 H new ATOM 0 HA GLU A 70 15.383 -1.679 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.395 -3.105 5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.747 -3.700 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.843 -3.804 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.552 -3.435 3.227 1.00 0.00 H new ATOM 1080 N ASN A 71 13.827 -0.867 5.648 1.00 0.00 N ATOM 1081 CA ASN A 71 12.849 -0.459 6.650 1.00 0.00 C ATOM 1082 C ASN A 71 11.538 -1.220 6.472 1.00 0.00 C ATOM 1083 O ASN A 71 10.455 -0.647 6.591 1.00 0.00 O ATOM 1084 CB ASN A 71 12.594 1.047 6.560 1.00 0.00 C ATOM 1085 CG ASN A 71 13.723 1.862 7.160 1.00 0.00 C ATOM 1086 OD1 ASN A 71 14.885 1.705 6.784 1.00 0.00 O ATOM 1087 ND2 ASN A 71 13.386 2.737 8.100 1.00 0.00 N ATOM 0 H ASN A 71 13.510 -0.766 4.684 1.00 0.00 H new ATOM 0 HA ASN A 71 13.254 -0.694 7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.462 1.328 5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.663 1.286 7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.103 3.313 8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.410 2.834 8.380 1.00 0.00 H new ATOM 1094 N SER A 72 11.645 -2.514 6.187 1.00 0.00 N ATOM 1095 CA SER A 72 10.469 -3.353 5.990 1.00 0.00 C ATOM 1096 C SER A 72 10.470 -4.527 6.964 1.00 0.00 C ATOM 1097 O SER A 72 11.046 -5.579 6.685 1.00 0.00 O ATOM 1098 CB SER A 72 10.420 -3.869 4.551 1.00 0.00 C ATOM 1099 OG SER A 72 11.580 -4.621 4.239 1.00 0.00 O ATOM 0 H SER A 72 12.534 -3.004 6.087 1.00 0.00 H new ATOM 0 HA SER A 72 9.584 -2.746 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.534 -4.488 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.332 -3.028 3.863 1.00 0.00 H new ATOM 0 HG SER A 72 11.759 -5.260 4.960 1.00 0.00 H new ATOM 1105 N ASP A 73 9.821 -4.339 8.108 1.00 0.00 N ATOM 1106 CA ASP A 73 9.745 -5.383 9.124 1.00 0.00 C ATOM 1107 C ASP A 73 8.542 -5.166 10.036 1.00 0.00 C ATOM 1108 O ASP A 73 8.440 -4.144 10.714 1.00 0.00 O ATOM 1109 CB ASP A 73 11.030 -5.411 9.953 1.00 0.00 C ATOM 1110 CG ASP A 73 11.202 -6.713 10.711 1.00 0.00 C ATOM 1111 OD1 ASP A 73 10.343 -7.019 11.565 1.00 0.00 O ATOM 1112 OD2 ASP A 73 12.194 -7.425 10.452 1.00 0.00 O ATOM 0 H ASP A 73 9.340 -3.474 8.355 1.00 0.00 H new ATOM 0 HA ASP A 73 9.627 -6.341 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.886 -5.261 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.021 -4.581 10.660 1.00 0.00 H new ATOM 1117 N SER A 74 7.632 -6.135 10.046 1.00 0.00 N ATOM 1118 CA SER A 74 6.432 -6.049 10.871 1.00 0.00 C ATOM 1119 C SER A 74 6.756 -6.342 12.332 1.00 0.00 C ATOM 1120 O SER A 74 6.338 -5.612 13.231 1.00 0.00 O ATOM 1121 CB SER A 74 5.369 -7.026 10.366 1.00 0.00 C ATOM 1122 OG SER A 74 4.092 -6.708 10.892 1.00 0.00 O ATOM 0 H SER A 74 7.703 -6.989 9.492 1.00 0.00 H new ATOM 0 HA SER A 74 6.044 -5.033 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.334 -6.999 9.277 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.640 -8.042 10.651 1.00 0.00 H new ATOM 0 HG SER A 74 3.430 -7.346 10.553 1.00 0.00 H new ATOM 1128 N GLY A 75 7.503 -7.417 12.563 1.00 0.00 N ATOM 1129 CA GLY A 75 7.871 -7.789 13.916 1.00 0.00 C ATOM 1130 C GLY A 75 6.790 -8.596 14.609 1.00 0.00 C ATOM 1131 O GLY A 75 5.932 -9.203 13.969 1.00 0.00 O ATOM 0 H GLY A 75 7.860 -8.037 11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.794 -8.368 13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.075 -6.888 14.495 1.00 0.00 H new ATOM 1135 N PRO A 76 6.825 -8.610 15.950 1.00 0.00 N ATOM 1136 CA PRO A 76 5.849 -9.346 16.760 1.00 0.00 C ATOM 1137 C PRO A 76 4.461 -8.718 16.705 1.00 0.00 C ATOM 1138 O PRO A 76 4.285 -7.623 16.172 1.00 0.00 O ATOM 1139 CB PRO A 76 6.423 -9.254 18.176 1.00 0.00 C ATOM 1140 CG PRO A 76 7.256 -8.019 18.168 1.00 0.00 C ATOM 1141 CD PRO A 76 7.821 -7.909 16.779 1.00 0.00 C ATOM 0 HA PRO A 76 5.712 -10.368 16.407 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.630 -9.192 18.921 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.020 -10.133 18.419 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.657 -7.143 18.416 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.053 -8.081 18.909 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.938 -6.869 16.474 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.804 -8.375 16.707 1.00 0.00 H new ATOM 1149 N SER A 77 3.478 -9.419 17.261 1.00 0.00 N ATOM 1150 CA SER A 77 2.103 -8.931 17.273 1.00 0.00 C ATOM 1151 C SER A 77 1.598 -8.696 15.853 1.00 0.00 C ATOM 1152 O SER A 77 0.905 -7.715 15.583 1.00 0.00 O ATOM 1153 CB SER A 77 2.006 -7.636 18.082 1.00 0.00 C ATOM 1154 OG SER A 77 0.671 -7.385 18.484 1.00 0.00 O ATOM 0 H SER A 77 3.608 -10.326 17.709 1.00 0.00 H new ATOM 0 HA SER A 77 1.478 -9.691 17.741 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.647 -7.704 18.961 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.372 -6.802 17.484 1.00 0.00 H new ATOM 0 HG SER A 77 0.089 -7.371 17.696 1.00 0.00 H new ATOM 1160 N SER A 78 1.951 -9.604 14.948 1.00 0.00 N ATOM 1161 CA SER A 78 1.537 -9.495 13.554 1.00 0.00 C ATOM 1162 C SER A 78 0.022 -9.618 13.426 1.00 0.00 C ATOM 1163 O SER A 78 -0.586 -10.540 13.968 1.00 0.00 O ATOM 1164 CB SER A 78 2.220 -10.574 12.712 1.00 0.00 C ATOM 1165 OG SER A 78 3.532 -10.181 12.347 1.00 0.00 O ATOM 0 H SER A 78 2.523 -10.423 15.155 1.00 0.00 H new ATOM 0 HA SER A 78 1.837 -8.513 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.259 -11.507 13.274 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.632 -10.766 11.815 1.00 0.00 H new ATOM 0 HG SER A 78 4.036 -9.938 13.151 1.00 0.00 H new ATOM 1171 N GLY A 79 -0.583 -8.679 12.704 1.00 0.00 N ATOM 1172 CA GLY A 79 -2.022 -8.699 12.517 1.00 0.00 C ATOM 1173 C GLY A 79 -2.634 -7.314 12.578 1.00 0.00 C ATOM 1174 O GLY A 79 -2.573 -6.558 11.608 1.00 0.00 O ATOM 0 H GLY A 79 -0.102 -7.905 12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.254 -9.153 11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.476 -9.328 13.283 1.00 0.00 H new TER 1178 GLY A 79