USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 801 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 80 GLN : amide:sc= -0.829 K(o=-1.5,f=-3.6!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.694! K(o=-1.5!,f=-3.6) USER MOD Set 1.3: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 CYS SG : rot 180:sc= -1.95! USER MOD Set 3.2: A 28 HIS : no HD1:sc= -2.14 K(o=-3.9,f=-5.1) USER MOD Set 3.3: A 53 TYR OH : rot -21:sc= 0.159 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= -0.152 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -88:sc= 0.861 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.594 K(o=-0.59,f=-2.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.87 K(o=-2.9,f=-6.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= -1.13 (180deg=-3.97!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.067 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 94:sc= -0.621 USER MOD Single : A 52 HIS : no HD1:sc= -0.798 X(o=-0.8,f=-0.38) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.287 K(o=0.29,f=-0.82!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 76 ASN : amide:sc= -5.01! C(o=-5!,f=-2.3!) USER MOD Single : A 78 GLN : amide:sc= 0.252 X(o=0.25,f=-0.2) USER MOD Single : A 79 LYS NZ :NH3+ 126:sc= -0.026 (180deg=-0.437) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc=-0.00216 (180deg=-0.137) USER MOD Single : A 87 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.008) USER MOD Single : A 88 GLN : amide:sc=-0.00169 K(o=-0.0017,f=-0.57) USER MOD Single : A 90 GLN : amide:sc= -0.425 K(o=-0.42,f=-5.9!) USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= 0.672 (180deg=-0.107) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.959 18.700 -5.958 1.00 0.00 N ATOM 2 CA GLY A 1 -0.654 17.450 -6.628 1.00 0.00 C ATOM 3 C GLY A 1 0.197 17.648 -7.867 1.00 0.00 C ATOM 4 O GLY A 1 -0.230 17.335 -8.978 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.542 18.510 -5.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.074 19.163 -5.668 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.480 19.324 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.134 16.788 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.584 16.954 -6.905 1.00 0.00 H new ATOM 8 N SER A 2 1.404 18.172 -7.676 1.00 0.00 N ATOM 9 CA SER A 2 2.315 18.417 -8.788 1.00 0.00 C ATOM 10 C SER A 2 2.655 17.116 -9.509 1.00 0.00 C ATOM 11 O SER A 2 2.936 16.098 -8.876 1.00 0.00 O ATOM 12 CB SER A 2 3.596 19.085 -8.286 1.00 0.00 C ATOM 13 OG SER A 2 4.469 18.137 -7.697 1.00 0.00 O ATOM 0 H SER A 2 1.773 18.435 -6.762 1.00 0.00 H new ATOM 0 HA SER A 2 1.818 19.083 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.100 19.582 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.346 19.856 -7.557 1.00 0.00 H new ATOM 0 HG SER A 2 5.281 18.589 -7.386 1.00 0.00 H new ATOM 19 N SER A 3 2.626 17.158 -10.837 1.00 0.00 N ATOM 20 CA SER A 3 2.927 15.983 -11.645 1.00 0.00 C ATOM 21 C SER A 3 4.434 15.759 -11.739 1.00 0.00 C ATOM 22 O SER A 3 4.933 14.680 -11.423 1.00 0.00 O ATOM 23 CB SER A 3 2.335 16.137 -13.048 1.00 0.00 C ATOM 24 OG SER A 3 2.835 17.298 -13.687 1.00 0.00 O ATOM 0 H SER A 3 2.397 17.993 -11.376 1.00 0.00 H new ATOM 0 HA SER A 3 2.478 15.116 -11.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.574 15.257 -13.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.248 16.193 -12.984 1.00 0.00 H new ATOM 0 HG SER A 3 2.443 17.373 -14.582 1.00 0.00 H new ATOM 30 N GLY A 4 5.153 16.788 -12.177 1.00 0.00 N ATOM 31 CA GLY A 4 6.594 16.685 -12.305 1.00 0.00 C ATOM 32 C GLY A 4 7.278 18.037 -12.270 1.00 0.00 C ATOM 33 O GLY A 4 7.365 18.723 -13.289 1.00 0.00 O ATOM 0 H GLY A 4 4.763 17.691 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.984 16.063 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.837 16.182 -13.241 1.00 0.00 H new ATOM 37 N SER A 5 7.763 18.423 -11.094 1.00 0.00 N ATOM 38 CA SER A 5 8.437 19.706 -10.929 1.00 0.00 C ATOM 39 C SER A 5 9.530 19.612 -9.869 1.00 0.00 C ATOM 40 O SER A 5 9.372 18.930 -8.856 1.00 0.00 O ATOM 41 CB SER A 5 7.429 20.790 -10.545 1.00 0.00 C ATOM 42 OG SER A 5 6.806 20.492 -9.307 1.00 0.00 O ATOM 0 H SER A 5 7.702 17.866 -10.242 1.00 0.00 H new ATOM 0 HA SER A 5 8.899 19.971 -11.880 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.934 21.754 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.672 20.880 -11.324 1.00 0.00 H new ATOM 0 HG SER A 5 6.167 21.201 -9.083 1.00 0.00 H new ATOM 48 N SER A 6 10.640 20.303 -10.110 1.00 0.00 N ATOM 49 CA SER A 6 11.762 20.295 -9.178 1.00 0.00 C ATOM 50 C SER A 6 11.270 20.302 -7.734 1.00 0.00 C ATOM 51 O SER A 6 10.225 20.874 -7.426 1.00 0.00 O ATOM 52 CB SER A 6 12.666 21.504 -9.426 1.00 0.00 C ATOM 53 OG SER A 6 13.993 21.245 -9.002 1.00 0.00 O ATOM 0 H SER A 6 10.786 20.875 -10.942 1.00 0.00 H new ATOM 0 HA SER A 6 12.333 19.382 -9.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.662 21.753 -10.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.274 22.371 -8.894 1.00 0.00 H new ATOM 0 HG SER A 6 14.086 21.480 -8.055 1.00 0.00 H new ATOM 59 N GLY A 7 12.031 19.661 -6.853 1.00 0.00 N ATOM 60 CA GLY A 7 11.657 19.604 -5.452 1.00 0.00 C ATOM 61 C GLY A 7 12.092 20.837 -4.685 1.00 0.00 C ATOM 62 O GLY A 7 12.591 20.736 -3.565 1.00 0.00 O ATOM 0 H GLY A 7 12.900 19.180 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.576 19.493 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.103 18.720 -4.996 1.00 0.00 H new ATOM 66 N MET A 8 11.904 22.006 -5.291 1.00 0.00 N ATOM 67 CA MET A 8 12.282 23.264 -4.657 1.00 0.00 C ATOM 68 C MET A 8 11.134 24.267 -4.714 1.00 0.00 C ATOM 69 O MET A 8 10.800 24.781 -5.781 1.00 0.00 O ATOM 70 CB MET A 8 13.521 23.849 -5.336 1.00 0.00 C ATOM 71 CG MET A 8 14.813 23.142 -4.958 1.00 0.00 C ATOM 72 SD MET A 8 15.168 21.730 -6.022 1.00 0.00 S ATOM 73 CE MET A 8 16.733 22.230 -6.736 1.00 0.00 C ATOM 0 H MET A 8 11.493 22.108 -6.219 1.00 0.00 H new ATOM 0 HA MET A 8 12.512 23.061 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.391 23.797 -6.417 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.604 24.904 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.640 23.850 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.749 22.806 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.084 21.457 -7.420 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.602 23.165 -7.281 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.466 22.373 -5.942 1.00 0.00 H new ATOM 83 N ALA A 9 10.535 24.540 -3.560 1.00 0.00 N ATOM 84 CA ALA A 9 9.427 25.483 -3.479 1.00 0.00 C ATOM 85 C ALA A 9 9.362 26.138 -2.103 1.00 0.00 C ATOM 86 O ALA A 9 9.773 25.563 -1.095 1.00 0.00 O ATOM 87 CB ALA A 9 8.113 24.782 -3.794 1.00 0.00 C ATOM 0 H ALA A 9 10.799 24.121 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 9 9.595 26.267 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.294 25.498 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.154 24.367 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.949 23.978 -3.077 1.00 0.00 H new ATOM 93 N PRO A 10 8.834 27.370 -2.058 1.00 0.00 N ATOM 94 CA PRO A 10 8.703 28.130 -0.811 1.00 0.00 C ATOM 95 C PRO A 10 7.651 27.538 0.120 1.00 0.00 C ATOM 96 O PRO A 10 7.447 28.025 1.233 1.00 0.00 O ATOM 97 CB PRO A 10 8.276 29.521 -1.286 1.00 0.00 C ATOM 98 CG PRO A 10 7.610 29.285 -2.598 1.00 0.00 C ATOM 99 CD PRO A 10 8.324 28.116 -3.220 1.00 0.00 C ATOM 0 HA PRO A 10 9.627 28.128 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.596 29.991 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.135 30.184 -1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.550 29.069 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.678 30.167 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.650 27.508 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.132 28.441 -3.875 1.00 0.00 H new ATOM 107 N LYS A 11 6.984 26.486 -0.341 1.00 0.00 N ATOM 108 CA LYS A 11 5.952 25.826 0.451 1.00 0.00 C ATOM 109 C LYS A 11 6.569 25.058 1.616 1.00 0.00 C ATOM 110 O LYS A 11 7.712 24.607 1.538 1.00 0.00 O ATOM 111 CB LYS A 11 5.137 24.874 -0.427 1.00 0.00 C ATOM 112 CG LYS A 11 4.021 25.560 -1.194 1.00 0.00 C ATOM 113 CD LYS A 11 3.298 24.589 -2.113 1.00 0.00 C ATOM 114 CE LYS A 11 2.715 25.299 -3.326 1.00 0.00 C ATOM 115 NZ LYS A 11 3.735 25.508 -4.390 1.00 0.00 N ATOM 0 H LYS A 11 7.139 26.071 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 11 5.291 26.594 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.805 24.384 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.708 24.092 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.310 25.996 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.433 26.381 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.990 23.814 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.500 24.091 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.887 24.713 -3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.306 26.262 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.298 25.994 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.513 26.088 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.107 24.588 -4.700 1.00 0.00 H new ATOM 129 N GLN A 12 5.805 24.913 2.694 1.00 0.00 N ATOM 130 CA GLN A 12 6.278 24.198 3.874 1.00 0.00 C ATOM 131 C GLN A 12 5.600 22.837 3.994 1.00 0.00 C ATOM 132 O GLN A 12 4.647 22.673 4.756 1.00 0.00 O ATOM 133 CB GLN A 12 6.017 25.024 5.135 1.00 0.00 C ATOM 134 CG GLN A 12 6.790 26.332 5.176 1.00 0.00 C ATOM 135 CD GLN A 12 6.122 27.431 4.372 1.00 0.00 C ATOM 136 OE1 GLN A 12 4.924 27.370 4.092 1.00 0.00 O ATOM 137 NE2 GLN A 12 6.895 28.443 3.996 1.00 0.00 N ATOM 0 H GLN A 12 4.857 25.281 2.775 1.00 0.00 H new ATOM 0 HA GLN A 12 7.351 24.041 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.951 25.239 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.279 24.429 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.893 26.656 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.797 26.167 4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.883 28.452 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.501 29.211 3.453 1.00 0.00 H new ATOM 146 N ASP A 13 6.097 21.866 3.237 1.00 0.00 N ATOM 147 CA ASP A 13 5.540 20.518 3.259 1.00 0.00 C ATOM 148 C ASP A 13 6.650 19.472 3.301 1.00 0.00 C ATOM 149 O ASP A 13 7.741 19.667 2.766 1.00 0.00 O ATOM 150 CB ASP A 13 4.653 20.290 2.034 1.00 0.00 C ATOM 151 CG ASP A 13 5.450 20.231 0.746 1.00 0.00 C ATOM 152 OD1 ASP A 13 6.273 21.141 0.514 1.00 0.00 O ATOM 153 OD2 ASP A 13 5.251 19.273 -0.031 1.00 0.00 O ATOM 0 H ASP A 13 6.885 21.986 2.600 1.00 0.00 H new ATOM 0 HA ASP A 13 4.935 20.416 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.099 19.360 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.918 21.092 1.967 1.00 0.00 H new ATOM 158 N PRO A 14 6.367 18.335 3.954 1.00 0.00 N ATOM 159 CA PRO A 14 7.328 17.235 4.082 1.00 0.00 C ATOM 160 C PRO A 14 7.579 16.527 2.755 1.00 0.00 C ATOM 161 O PRO A 14 6.881 16.766 1.769 1.00 0.00 O ATOM 162 CB PRO A 14 6.651 16.287 5.075 1.00 0.00 C ATOM 163 CG PRO A 14 5.195 16.569 4.936 1.00 0.00 C ATOM 164 CD PRO A 14 5.086 18.034 4.615 1.00 0.00 C ATOM 0 HA PRO A 14 8.308 17.585 4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.876 15.246 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.994 16.470 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.754 15.962 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.662 16.330 5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.238 18.240 3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.948 18.633 5.515 1.00 0.00 H new ATOM 172 N LYS A 15 8.580 15.653 2.736 1.00 0.00 N ATOM 173 CA LYS A 15 8.923 14.908 1.531 1.00 0.00 C ATOM 174 C LYS A 15 8.648 13.419 1.716 1.00 0.00 C ATOM 175 O LYS A 15 8.927 12.837 2.764 1.00 0.00 O ATOM 176 CB LYS A 15 10.395 15.125 1.174 1.00 0.00 C ATOM 177 CG LYS A 15 10.727 14.789 -0.270 1.00 0.00 C ATOM 178 CD LYS A 15 12.204 14.988 -0.563 1.00 0.00 C ATOM 179 CE LYS A 15 12.523 14.720 -2.026 1.00 0.00 C ATOM 180 NZ LYS A 15 12.782 13.276 -2.282 1.00 0.00 N ATOM 0 H LYS A 15 9.168 15.443 3.543 1.00 0.00 H new ATOM 0 HA LYS A 15 8.300 15.277 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.657 16.166 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.014 14.514 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.450 13.755 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.135 15.417 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.493 16.008 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.794 14.322 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.692 15.055 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.396 15.303 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.995 13.135 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.591 12.962 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.940 12.722 -2.026 1.00 0.00 H new ATOM 194 N PRO A 16 8.090 12.786 0.673 1.00 0.00 N ATOM 195 CA PRO A 16 7.768 11.356 0.696 1.00 0.00 C ATOM 196 C PRO A 16 9.016 10.480 0.685 1.00 0.00 C ATOM 197 O PRO A 16 10.048 10.857 0.129 1.00 0.00 O ATOM 198 CB PRO A 16 6.962 11.153 -0.590 1.00 0.00 C ATOM 199 CG PRO A 16 7.414 12.245 -1.496 1.00 0.00 C ATOM 200 CD PRO A 16 7.731 13.416 -0.608 1.00 0.00 C ATOM 0 HA PRO A 16 7.231 11.074 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.153 10.172 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.891 11.214 -0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.291 11.940 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.637 12.501 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.552 14.012 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.875 14.083 -0.502 1.00 0.00 H new ATOM 208 N LYS A 17 8.916 9.308 1.303 1.00 0.00 N ATOM 209 CA LYS A 17 10.036 8.376 1.364 1.00 0.00 C ATOM 210 C LYS A 17 10.000 7.404 0.189 1.00 0.00 C ATOM 211 O LYS A 17 11.028 7.119 -0.426 1.00 0.00 O ATOM 212 CB LYS A 17 10.009 7.600 2.682 1.00 0.00 C ATOM 213 CG LYS A 17 10.245 8.470 3.905 1.00 0.00 C ATOM 214 CD LYS A 17 10.267 7.644 5.181 1.00 0.00 C ATOM 215 CE LYS A 17 10.987 8.374 6.304 1.00 0.00 C ATOM 216 NZ LYS A 17 12.459 8.162 6.250 1.00 0.00 N ATOM 0 H LYS A 17 8.070 8.981 1.769 1.00 0.00 H new ATOM 0 HA LYS A 17 10.959 8.953 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.044 7.102 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.769 6.819 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.191 9.001 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.462 9.225 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.246 7.419 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.760 6.691 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.771 9.441 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.606 8.028 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.913 8.676 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.667 7.147 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.828 8.515 5.344 1.00 0.00 H new ATOM 230 N PHE A 18 8.810 6.900 -0.119 1.00 0.00 N ATOM 231 CA PHE A 18 8.640 5.960 -1.222 1.00 0.00 C ATOM 232 C PHE A 18 8.389 6.699 -2.533 1.00 0.00 C ATOM 233 O PHE A 18 7.979 7.860 -2.533 1.00 0.00 O ATOM 234 CB PHE A 18 7.480 5.005 -0.931 1.00 0.00 C ATOM 235 CG PHE A 18 7.528 4.405 0.445 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.073 5.118 1.542 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.028 3.128 0.641 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.116 4.568 2.809 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.074 2.572 1.906 1.00 0.00 C ATOM 240 CZ PHE A 18 7.616 3.294 2.992 1.00 0.00 C ATOM 0 H PHE A 18 7.949 7.126 0.379 1.00 0.00 H new ATOM 0 HA PHE A 18 9.560 5.384 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.539 5.542 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.487 4.203 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.680 6.115 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.386 2.560 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.759 5.135 3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.467 1.576 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.649 2.863 3.982 1.00 0.00 H new ATOM 250 N GLN A 19 8.638 6.018 -3.646 1.00 0.00 N ATOM 251 CA GLN A 19 8.440 6.610 -4.964 1.00 0.00 C ATOM 252 C GLN A 19 7.423 5.812 -5.773 1.00 0.00 C ATOM 253 O GLN A 19 7.159 4.647 -5.477 1.00 0.00 O ATOM 254 CB GLN A 19 9.768 6.680 -5.719 1.00 0.00 C ATOM 255 CG GLN A 19 10.877 7.368 -4.939 1.00 0.00 C ATOM 256 CD GLN A 19 11.547 6.444 -3.941 1.00 0.00 C ATOM 257 OE1 GLN A 19 11.280 6.508 -2.741 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.424 5.577 -4.434 1.00 0.00 N ATOM 0 H GLN A 19 8.977 5.056 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 19 8.054 7.620 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.086 5.669 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.614 7.210 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.624 7.748 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.466 8.229 -4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.615 5.559 -5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.907 4.930 -3.811 1.00 0.00 H new ATOM 267 N GLU A 20 6.856 6.447 -6.794 1.00 0.00 N ATOM 268 CA GLU A 20 5.867 5.794 -7.644 1.00 0.00 C ATOM 269 C GLU A 20 6.518 4.719 -8.509 1.00 0.00 C ATOM 270 O GLU A 20 7.571 4.939 -9.105 1.00 0.00 O ATOM 271 CB GLU A 20 5.167 6.825 -8.532 1.00 0.00 C ATOM 272 CG GLU A 20 4.432 7.902 -7.753 1.00 0.00 C ATOM 273 CD GLU A 20 4.378 9.224 -8.493 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.361 9.205 -9.742 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.354 10.278 -7.823 1.00 0.00 O ATOM 0 H GLU A 20 7.064 7.412 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 20 5.128 5.318 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.907 7.297 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.458 6.311 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.417 7.565 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.923 8.048 -6.791 1.00 0.00 H new ATOM 282 N GLY A 21 5.882 3.553 -8.571 1.00 0.00 N ATOM 283 CA GLY A 21 6.413 2.460 -9.364 1.00 0.00 C ATOM 284 C GLY A 21 7.227 1.484 -8.537 1.00 0.00 C ATOM 285 O GLY A 21 7.620 0.425 -9.024 1.00 0.00 O ATOM 0 H GLY A 21 5.009 3.346 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.590 1.928 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.037 2.864 -10.162 1.00 0.00 H new ATOM 289 N GLU A 22 7.480 1.843 -7.282 1.00 0.00 N ATOM 290 CA GLU A 22 8.254 0.992 -6.386 1.00 0.00 C ATOM 291 C GLU A 22 7.337 0.103 -5.552 1.00 0.00 C ATOM 292 O GLU A 22 6.345 0.570 -4.991 1.00 0.00 O ATOM 293 CB GLU A 22 9.131 1.845 -5.467 1.00 0.00 C ATOM 294 CG GLU A 22 9.932 1.033 -4.464 1.00 0.00 C ATOM 295 CD GLU A 22 11.200 0.455 -5.062 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.816 1.132 -5.912 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.577 -0.672 -4.680 1.00 0.00 O ATOM 0 H GLU A 22 7.160 2.717 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 22 8.893 0.353 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.817 2.433 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.499 2.551 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.191 1.665 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.313 0.222 -4.081 1.00 0.00 H new ATOM 304 N ARG A 23 7.675 -1.180 -5.475 1.00 0.00 N ATOM 305 CA ARG A 23 6.882 -2.135 -4.712 1.00 0.00 C ATOM 306 C ARG A 23 6.850 -1.757 -3.234 1.00 0.00 C ATOM 307 O ARG A 23 7.830 -1.246 -2.692 1.00 0.00 O ATOM 308 CB ARG A 23 7.447 -3.547 -4.876 1.00 0.00 C ATOM 309 CG ARG A 23 6.420 -4.645 -4.650 1.00 0.00 C ATOM 310 CD ARG A 23 6.886 -5.971 -5.230 1.00 0.00 C ATOM 311 NE ARG A 23 6.498 -6.123 -6.629 1.00 0.00 N ATOM 312 CZ ARG A 23 6.893 -7.133 -7.396 1.00 0.00 C ATOM 313 NH1 ARG A 23 7.684 -8.075 -6.901 1.00 0.00 N ATOM 314 NH2 ARG A 23 6.498 -7.202 -8.661 1.00 0.00 N ATOM 0 H ARG A 23 8.493 -1.582 -5.932 1.00 0.00 H new ATOM 0 HA ARG A 23 5.863 -2.112 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.861 -3.649 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.271 -3.683 -4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.236 -4.758 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.473 -4.359 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.970 -6.043 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.465 -6.790 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 23 5.890 -5.415 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.990 -8.025 -5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.986 -8.850 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.890 -6.479 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.802 -7.978 -9.249 1.00 0.00 H new ATOM 328 N VAL A 24 5.717 -2.010 -2.587 1.00 0.00 N ATOM 329 CA VAL A 24 5.557 -1.697 -1.172 1.00 0.00 C ATOM 330 C VAL A 24 4.408 -2.490 -0.560 1.00 0.00 C ATOM 331 O VAL A 24 3.545 -3.005 -1.273 1.00 0.00 O ATOM 332 CB VAL A 24 5.302 -0.194 -0.955 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.522 0.619 -1.359 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.072 0.254 -1.731 1.00 0.00 C ATOM 0 H VAL A 24 4.896 -2.431 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 24 6.489 -1.975 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 24 5.117 -0.024 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.323 1.679 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.378 0.315 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.741 0.447 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.906 1.319 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.226 0.071 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.202 -0.306 -1.389 1.00 0.00 H new ATOM 344 N LEU A 25 4.402 -2.586 0.765 1.00 0.00 N ATOM 345 CA LEU A 25 3.358 -3.316 1.475 1.00 0.00 C ATOM 346 C LEU A 25 2.435 -2.359 2.222 1.00 0.00 C ATOM 347 O LEU A 25 2.895 -1.497 2.973 1.00 0.00 O ATOM 348 CB LEU A 25 3.981 -4.312 2.455 1.00 0.00 C ATOM 349 CG LEU A 25 4.854 -5.404 1.837 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.628 -6.143 2.918 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.004 -6.374 1.030 1.00 0.00 C ATOM 0 H LEU A 25 5.109 -2.167 1.369 1.00 0.00 H new ATOM 0 HA LEU A 25 2.766 -3.861 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.584 -3.756 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.178 -4.790 3.015 1.00 0.00 H new ATOM 0 HG LEU A 25 5.570 -4.933 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.244 -6.917 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.267 -5.440 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.929 -6.602 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.642 -7.144 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.265 -6.839 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.495 -5.834 0.231 1.00 0.00 H new ATOM 363 N CYS A 26 1.133 -2.517 2.014 1.00 0.00 N ATOM 364 CA CYS A 26 0.145 -1.667 2.670 1.00 0.00 C ATOM 365 C CYS A 26 -0.592 -2.434 3.763 1.00 0.00 C ATOM 366 O CYS A 26 -0.942 -3.601 3.588 1.00 0.00 O ATOM 367 CB CYS A 26 -0.854 -1.127 1.646 1.00 0.00 C ATOM 368 SG CYS A 26 -2.389 -0.505 2.369 1.00 0.00 S ATOM 0 H CYS A 26 0.736 -3.225 1.397 1.00 0.00 H new ATOM 0 HA CYS A 26 0.670 -0.830 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.380 -0.325 1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.094 -1.919 0.936 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.168 -0.069 1.424 1.00 0.00 H new ATOM 374 N PHE A 27 -0.824 -1.770 4.890 1.00 0.00 N ATOM 375 CA PHE A 27 -1.518 -2.390 6.013 1.00 0.00 C ATOM 376 C PHE A 27 -3.028 -2.372 5.796 1.00 0.00 C ATOM 377 O PHE A 27 -3.679 -1.340 5.963 1.00 0.00 O ATOM 378 CB PHE A 27 -1.170 -1.668 7.317 1.00 0.00 C ATOM 379 CG PHE A 27 0.027 -2.243 8.019 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.056 -3.462 8.672 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.234 -1.563 8.027 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.044 -3.993 9.320 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.337 -2.090 8.672 1.00 0.00 C ATOM 384 CZ PHE A 27 2.241 -3.306 9.320 1.00 0.00 C ATOM 0 H PHE A 27 -0.542 -0.803 5.050 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.191 -3.427 6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.984 -0.616 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.029 -1.710 7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.990 -4.004 8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.314 -0.611 7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.967 -4.944 9.826 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.273 -1.551 8.669 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.101 -3.719 9.826 1.00 0.00 H new ATOM 394 N HIS A 28 -3.580 -3.523 5.423 1.00 0.00 N ATOM 395 CA HIS A 28 -5.014 -3.641 5.183 1.00 0.00 C ATOM 396 C HIS A 28 -5.715 -4.275 6.380 1.00 0.00 C ATOM 397 O HIS A 28 -6.767 -4.897 6.238 1.00 0.00 O ATOM 398 CB HIS A 28 -5.275 -4.470 3.926 1.00 0.00 C ATOM 399 CG HIS A 28 -6.612 -4.209 3.303 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.201 -5.066 2.397 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.477 -3.180 3.462 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.369 -4.575 2.025 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.561 -3.431 2.657 1.00 0.00 N ATOM 0 H HIS A 28 -3.056 -4.386 5.281 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.417 -2.639 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.495 -4.260 3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.201 -5.528 4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.340 -2.321 4.103 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.051 -5.031 1.323 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.381 -2.832 2.562 1.00 0.00 H new ATOM 412 N GLY A 29 -5.123 -4.114 7.560 1.00 0.00 N ATOM 413 CA GLY A 29 -5.705 -4.678 8.765 1.00 0.00 C ATOM 414 C GLY A 29 -4.759 -5.624 9.477 1.00 0.00 C ATOM 415 O GLY A 29 -3.547 -5.410 9.518 1.00 0.00 O ATOM 0 H GLY A 29 -4.252 -3.604 7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.985 -3.871 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.621 -5.210 8.508 1.00 0.00 H new ATOM 419 N PRO A 30 -5.315 -6.697 10.058 1.00 0.00 N ATOM 420 CA PRO A 30 -4.531 -7.700 10.784 1.00 0.00 C ATOM 421 C PRO A 30 -3.654 -8.534 9.856 1.00 0.00 C ATOM 422 O PRO A 30 -2.980 -9.467 10.294 1.00 0.00 O ATOM 423 CB PRO A 30 -5.599 -8.578 11.442 1.00 0.00 C ATOM 424 CG PRO A 30 -6.802 -8.422 10.578 1.00 0.00 C ATOM 425 CD PRO A 30 -6.753 -7.015 10.049 1.00 0.00 C ATOM 0 HA PRO A 30 -3.840 -7.242 11.492 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.280 -9.619 11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.801 -8.257 12.464 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.793 -9.146 9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.716 -8.593 11.147 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.173 -6.948 9.045 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.320 -6.329 10.678 1.00 0.00 H new ATOM 433 N LEU A 31 -3.668 -8.193 8.572 1.00 0.00 N ATOM 434 CA LEU A 31 -2.874 -8.911 7.581 1.00 0.00 C ATOM 435 C LEU A 31 -2.311 -7.952 6.537 1.00 0.00 C ATOM 436 O LEU A 31 -2.927 -6.935 6.215 1.00 0.00 O ATOM 437 CB LEU A 31 -3.722 -9.985 6.898 1.00 0.00 C ATOM 438 CG LEU A 31 -4.158 -11.156 7.779 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.487 -11.720 7.300 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.090 -12.240 7.792 1.00 0.00 C ATOM 0 H LEU A 31 -4.220 -7.424 8.193 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.041 -9.389 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.615 -9.510 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.159 -10.382 6.053 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.289 -10.790 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.781 -12.552 7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.249 -10.942 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.385 -12.070 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.417 -13.066 8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.927 -12.602 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.160 -11.829 8.184 1.00 0.00 H new ATOM 452 N LEU A 32 -1.137 -8.283 6.009 1.00 0.00 N ATOM 453 CA LEU A 32 -0.491 -7.452 4.998 1.00 0.00 C ATOM 454 C LEU A 32 -0.758 -7.993 3.597 1.00 0.00 C ATOM 455 O LEU A 32 -0.865 -9.203 3.398 1.00 0.00 O ATOM 456 CB LEU A 32 1.016 -7.385 5.253 1.00 0.00 C ATOM 457 CG LEU A 32 1.490 -6.270 6.186 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.945 -6.481 6.573 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.302 -4.910 5.531 1.00 0.00 C ATOM 0 H LEU A 32 -0.613 -9.120 6.264 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.910 -6.448 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.337 -8.340 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.522 -7.269 4.294 1.00 0.00 H new ATOM 0 HG LEU A 32 0.886 -6.300 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.265 -5.678 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.051 -7.438 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.564 -6.478 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.645 -4.129 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.880 -4.868 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.247 -4.757 5.306 1.00 0.00 H new ATOM 471 N TYR A 33 -0.862 -7.089 2.630 1.00 0.00 N ATOM 472 CA TYR A 33 -1.117 -7.475 1.247 1.00 0.00 C ATOM 473 C TYR A 33 -0.096 -6.839 0.308 1.00 0.00 C ATOM 474 O TYR A 33 0.494 -5.807 0.623 1.00 0.00 O ATOM 475 CB TYR A 33 -2.531 -7.066 0.834 1.00 0.00 C ATOM 476 CG TYR A 33 -3.614 -7.665 1.703 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.693 -7.361 3.056 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.558 -8.535 1.171 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.680 -7.907 3.854 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.549 -9.084 1.961 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.605 -8.767 3.302 1.00 0.00 C ATOM 482 OH TYR A 33 -6.590 -9.312 4.093 1.00 0.00 O ATOM 0 H TYR A 33 -0.774 -6.084 2.778 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.025 -8.559 1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.610 -5.979 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.699 -7.366 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.971 -6.686 3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.516 -8.786 0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.726 -7.661 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.276 -9.757 1.531 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.160 -9.895 3.550 1.00 0.00 H new ATOM 492 N GLU A 34 0.104 -7.465 -0.848 1.00 0.00 N ATOM 493 CA GLU A 34 1.053 -6.961 -1.834 1.00 0.00 C ATOM 494 C GLU A 34 0.485 -5.749 -2.566 1.00 0.00 C ATOM 495 O GLU A 34 -0.697 -5.714 -2.908 1.00 0.00 O ATOM 496 CB GLU A 34 1.408 -8.058 -2.840 1.00 0.00 C ATOM 497 CG GLU A 34 2.472 -7.643 -3.843 1.00 0.00 C ATOM 498 CD GLU A 34 2.706 -8.693 -4.912 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.754 -9.432 -5.237 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.842 -8.773 -5.424 1.00 0.00 O ATOM 0 H GLU A 34 -0.378 -8.321 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 34 1.957 -6.655 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.755 -8.938 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.507 -8.350 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.175 -6.707 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.407 -7.451 -3.317 1.00 0.00 H new ATOM 507 N ALA A 35 1.336 -4.755 -2.802 1.00 0.00 N ATOM 508 CA ALA A 35 0.920 -3.542 -3.494 1.00 0.00 C ATOM 509 C ALA A 35 2.126 -2.759 -4.002 1.00 0.00 C ATOM 510 O ALA A 35 3.272 -3.143 -3.768 1.00 0.00 O ATOM 511 CB ALA A 35 0.074 -2.674 -2.575 1.00 0.00 C ATOM 0 H ALA A 35 2.317 -4.767 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 35 0.319 -3.833 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.230 -1.771 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.812 -3.228 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.657 -2.400 -1.696 1.00 0.00 H new ATOM 517 N LYS A 36 1.861 -1.660 -4.700 1.00 0.00 N ATOM 518 CA LYS A 36 2.924 -0.821 -5.241 1.00 0.00 C ATOM 519 C LYS A 36 2.512 0.647 -5.243 1.00 0.00 C ATOM 520 O LYS A 36 1.339 0.972 -5.432 1.00 0.00 O ATOM 521 CB LYS A 36 3.277 -1.264 -6.663 1.00 0.00 C ATOM 522 CG LYS A 36 4.284 -0.359 -7.350 1.00 0.00 C ATOM 523 CD LYS A 36 3.598 0.753 -8.125 1.00 0.00 C ATOM 524 CE LYS A 36 3.242 0.310 -9.536 1.00 0.00 C ATOM 525 NZ LYS A 36 4.424 -0.229 -10.263 1.00 0.00 N ATOM 0 H LYS A 36 0.918 -1.329 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 36 3.801 -0.933 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.676 -2.278 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.366 -1.299 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.952 0.074 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.901 -0.949 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.694 1.060 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.252 1.624 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.464 -0.452 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.830 1.154 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.487 0.215 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.288 -0.021 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.324 -1.258 -10.373 1.00 0.00 H new ATOM 539 N CYS A 37 3.482 1.529 -5.032 1.00 0.00 N ATOM 540 CA CYS A 37 3.219 2.964 -5.010 1.00 0.00 C ATOM 541 C CYS A 37 2.682 3.439 -6.356 1.00 0.00 C ATOM 542 O CYS A 37 3.400 3.447 -7.356 1.00 0.00 O ATOM 543 CB CYS A 37 4.494 3.732 -4.656 1.00 0.00 C ATOM 544 SG CYS A 37 4.219 5.472 -4.251 1.00 0.00 S ATOM 0 H CYS A 37 4.457 1.276 -4.874 1.00 0.00 H new ATOM 0 HA CYS A 37 2.463 3.158 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.975 3.244 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.187 3.670 -5.495 1.00 0.00 H new ATOM 0 HG CYS A 37 5.355 6.036 -3.964 1.00 0.00 H new ATOM 550 N VAL A 38 1.412 3.834 -6.375 1.00 0.00 N ATOM 551 CA VAL A 38 0.778 4.310 -7.598 1.00 0.00 C ATOM 552 C VAL A 38 0.903 5.824 -7.728 1.00 0.00 C ATOM 553 O VAL A 38 1.172 6.345 -8.811 1.00 0.00 O ATOM 554 CB VAL A 38 -0.713 3.923 -7.644 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.271 4.116 -9.046 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.905 2.488 -7.178 1.00 0.00 C ATOM 0 H VAL A 38 0.803 3.833 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 38 1.296 3.833 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.262 4.577 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.325 3.838 -9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.168 5.161 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.721 3.488 -9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.964 2.231 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.345 1.816 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.544 2.387 -6.154 1.00 0.00 H new ATOM 566 N LYS A 39 0.706 6.526 -6.618 1.00 0.00 N ATOM 567 CA LYS A 39 0.798 7.981 -6.606 1.00 0.00 C ATOM 568 C LYS A 39 1.299 8.483 -5.255 1.00 0.00 C ATOM 569 O LYS A 39 1.336 7.735 -4.278 1.00 0.00 O ATOM 570 CB LYS A 39 -0.565 8.602 -6.919 1.00 0.00 C ATOM 571 CG LYS A 39 -1.015 8.388 -8.354 1.00 0.00 C ATOM 572 CD LYS A 39 -2.392 8.982 -8.601 1.00 0.00 C ATOM 573 CE LYS A 39 -2.751 8.961 -10.079 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.172 9.341 -10.310 1.00 0.00 N ATOM 0 H LYS A 39 0.481 6.111 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 39 1.512 8.281 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.311 8.179 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.523 9.672 -6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.294 8.842 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.033 7.321 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.138 8.422 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.418 10.008 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.099 9.646 -10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.571 7.964 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.377 9.315 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.795 8.672 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.338 10.302 -9.948 1.00 0.00 H new ATOM 588 N VAL A 40 1.681 9.755 -5.207 1.00 0.00 N ATOM 589 CA VAL A 40 2.177 10.358 -3.976 1.00 0.00 C ATOM 590 C VAL A 40 1.599 11.755 -3.776 1.00 0.00 C ATOM 591 O VAL A 40 1.915 12.681 -4.521 1.00 0.00 O ATOM 592 CB VAL A 40 3.715 10.446 -3.973 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.218 10.962 -2.633 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.326 9.091 -4.296 1.00 0.00 C ATOM 0 H VAL A 40 1.656 10.388 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 40 1.856 9.714 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 40 4.023 11.151 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.306 11.017 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.807 11.954 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.901 10.284 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.413 9.171 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.012 8.363 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.992 8.767 -5.282 1.00 0.00 H new ATOM 604 N ALA A 41 0.750 11.898 -2.764 1.00 0.00 N ATOM 605 CA ALA A 41 0.129 13.182 -2.464 1.00 0.00 C ATOM 606 C ALA A 41 0.403 13.602 -1.023 1.00 0.00 C ATOM 607 O ALA A 41 0.636 12.760 -0.156 1.00 0.00 O ATOM 608 CB ALA A 41 -1.370 13.117 -2.720 1.00 0.00 C ATOM 0 H ALA A 41 0.476 11.141 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 41 0.567 13.931 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.820 14.083 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.550 12.871 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.815 12.350 -2.085 1.00 0.00 H new ATOM 614 N ILE A 42 0.374 14.907 -0.777 1.00 0.00 N ATOM 615 CA ILE A 42 0.620 15.437 0.559 1.00 0.00 C ATOM 616 C ILE A 42 -0.482 16.404 0.978 1.00 0.00 C ATOM 617 O ILE A 42 -0.660 17.461 0.371 1.00 0.00 O ATOM 618 CB ILE A 42 1.978 16.159 0.637 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.123 15.158 0.470 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.107 16.903 1.958 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.432 15.799 0.068 1.00 0.00 C ATOM 0 H ILE A 42 0.183 15.617 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 42 0.631 14.585 1.239 1.00 0.00 H new ATOM 0 HB ILE A 42 2.034 16.885 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.264 14.620 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.843 14.420 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.072 17.408 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.308 17.640 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.034 16.195 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.198 15.030 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.308 16.313 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.735 16.516 0.831 1.00 0.00 H new ATOM 633 N LYS A 43 -1.220 16.037 2.020 1.00 0.00 N ATOM 634 CA LYS A 43 -2.303 16.872 2.524 1.00 0.00 C ATOM 635 C LYS A 43 -2.564 16.594 4.001 1.00 0.00 C ATOM 636 O LYS A 43 -2.161 15.556 4.527 1.00 0.00 O ATOM 637 CB LYS A 43 -3.580 16.629 1.716 1.00 0.00 C ATOM 638 CG LYS A 43 -3.755 17.589 0.551 1.00 0.00 C ATOM 639 CD LYS A 43 -4.570 18.808 0.950 1.00 0.00 C ATOM 640 CE LYS A 43 -4.664 19.813 -0.187 1.00 0.00 C ATOM 641 NZ LYS A 43 -5.265 21.100 0.258 1.00 0.00 N ATOM 0 H LYS A 43 -1.087 15.165 2.532 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.004 17.915 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.570 15.607 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.441 16.714 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.777 17.907 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.248 17.075 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.572 18.496 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.115 19.282 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.669 19.998 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.263 19.393 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.311 21.758 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.224 20.928 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.680 21.515 1.011 1.00 0.00 H new ATOM 655 N ASP A 44 -3.239 17.526 4.664 1.00 0.00 N ATOM 656 CA ASP A 44 -3.555 17.380 6.080 1.00 0.00 C ATOM 657 C ASP A 44 -2.283 17.217 6.906 1.00 0.00 C ATOM 658 O ASP A 44 -2.279 16.535 7.931 1.00 0.00 O ATOM 659 CB ASP A 44 -4.476 16.179 6.297 1.00 0.00 C ATOM 660 CG ASP A 44 -5.851 16.387 5.693 1.00 0.00 C ATOM 661 OD1 ASP A 44 -6.474 17.431 5.979 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.304 15.506 4.932 1.00 0.00 O ATOM 0 H ASP A 44 -3.578 18.391 4.243 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.067 18.285 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.020 15.291 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.577 15.990 7.366 1.00 0.00 H new ATOM 667 N LYS A 45 -1.205 17.848 6.454 1.00 0.00 N ATOM 668 CA LYS A 45 0.074 17.774 7.150 1.00 0.00 C ATOM 669 C LYS A 45 0.570 16.333 7.226 1.00 0.00 C ATOM 670 O LYS A 45 1.283 15.962 8.158 1.00 0.00 O ATOM 671 CB LYS A 45 -0.056 18.355 8.560 1.00 0.00 C ATOM 672 CG LYS A 45 0.049 19.869 8.606 1.00 0.00 C ATOM 673 CD LYS A 45 -1.308 20.528 8.423 1.00 0.00 C ATOM 674 CE LYS A 45 -1.171 21.954 7.914 1.00 0.00 C ATOM 675 NZ LYS A 45 -0.987 22.926 9.027 1.00 0.00 N ATOM 0 H LYS A 45 -1.192 18.417 5.608 1.00 0.00 H new ATOM 0 HA LYS A 45 0.800 18.360 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.015 18.053 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.720 17.926 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.478 20.176 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.729 20.211 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.905 19.946 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.844 20.529 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.322 22.016 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.059 22.222 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.898 23.886 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.809 22.885 9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.126 22.686 9.558 1.00 0.00 H new ATOM 689 N GLN A 46 0.189 15.528 6.240 1.00 0.00 N ATOM 690 CA GLN A 46 0.596 14.129 6.196 1.00 0.00 C ATOM 691 C GLN A 46 0.807 13.668 4.757 1.00 0.00 C ATOM 692 O GLN A 46 0.077 14.072 3.852 1.00 0.00 O ATOM 693 CB GLN A 46 -0.453 13.249 6.877 1.00 0.00 C ATOM 694 CG GLN A 46 -1.653 12.940 5.997 1.00 0.00 C ATOM 695 CD GLN A 46 -2.522 11.834 6.561 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.111 10.675 6.621 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.732 12.186 6.981 1.00 0.00 N ATOM 0 H GLN A 46 -0.401 15.821 5.461 1.00 0.00 H new ATOM 0 HA GLN A 46 1.541 14.035 6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.014 12.312 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.797 13.745 7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.253 13.842 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.306 12.654 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.033 13.158 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.360 11.484 7.372 1.00 0.00 H new ATOM 706 N VAL A 47 1.810 12.820 4.553 1.00 0.00 N ATOM 707 CA VAL A 47 2.117 12.304 3.225 1.00 0.00 C ATOM 708 C VAL A 47 1.429 10.965 2.983 1.00 0.00 C ATOM 709 O VAL A 47 1.506 10.056 3.810 1.00 0.00 O ATOM 710 CB VAL A 47 3.634 12.132 3.026 1.00 0.00 C ATOM 711 CG1 VAL A 47 3.956 11.882 1.560 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.381 13.353 3.543 1.00 0.00 C ATOM 0 H VAL A 47 2.424 12.476 5.291 1.00 0.00 H new ATOM 0 HA VAL A 47 1.745 13.036 2.508 1.00 0.00 H new ATOM 0 HB VAL A 47 3.961 11.264 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.033 11.763 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.451 10.976 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.615 12.728 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.452 13.214 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.051 14.238 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.176 13.482 4.606 1.00 0.00 H new ATOM 722 N LYS A 48 0.755 10.849 1.844 1.00 0.00 N ATOM 723 CA LYS A 48 0.054 9.621 1.491 1.00 0.00 C ATOM 724 C LYS A 48 0.563 9.066 0.164 1.00 0.00 C ATOM 725 O LYS A 48 1.314 9.730 -0.550 1.00 0.00 O ATOM 726 CB LYS A 48 -1.453 9.876 1.405 1.00 0.00 C ATOM 727 CG LYS A 48 -2.142 9.907 2.758 1.00 0.00 C ATOM 728 CD LYS A 48 -3.593 9.468 2.655 1.00 0.00 C ATOM 729 CE LYS A 48 -4.296 9.543 4.002 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.886 10.888 4.245 1.00 0.00 N ATOM 0 H LYS A 48 0.680 11.592 1.149 1.00 0.00 H new ATOM 0 HA LYS A 48 0.248 8.885 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.624 10.825 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.910 9.100 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.612 9.255 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.094 10.916 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.115 10.099 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.639 8.447 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.082 8.789 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.586 9.309 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.356 10.899 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.133 11.605 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.582 11.101 3.502 1.00 0.00 H new ATOM 744 N TYR A 49 0.147 7.847 -0.160 1.00 0.00 N ATOM 745 CA TYR A 49 0.562 7.203 -1.401 1.00 0.00 C ATOM 746 C TYR A 49 -0.533 6.281 -1.928 1.00 0.00 C ATOM 747 O TYR A 49 -0.989 5.376 -1.229 1.00 0.00 O ATOM 748 CB TYR A 49 1.851 6.409 -1.183 1.00 0.00 C ATOM 749 CG TYR A 49 2.871 7.133 -0.332 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.592 7.467 0.987 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.113 7.481 -0.848 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.520 8.129 1.767 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.048 8.141 -0.075 1.00 0.00 C ATOM 754 CZ TYR A 49 4.747 8.464 1.232 1.00 0.00 C ATOM 755 OH TYR A 49 5.675 9.122 2.007 1.00 0.00 O ATOM 0 H TYR A 49 -0.477 7.285 0.419 1.00 0.00 H new ATOM 0 HA TYR A 49 0.744 7.982 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.606 5.457 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.295 6.180 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.633 7.205 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.351 7.231 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.286 8.383 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.009 8.403 -0.491 1.00 0.00 H new ATOM 0 HH TYR A 49 6.278 8.469 2.420 1.00 0.00 H new ATOM 765 N PHE A 50 -0.950 6.516 -3.168 1.00 0.00 N ATOM 766 CA PHE A 50 -1.992 5.708 -3.791 1.00 0.00 C ATOM 767 C PHE A 50 -1.523 4.268 -3.979 1.00 0.00 C ATOM 768 O PHE A 50 -0.783 3.962 -4.915 1.00 0.00 O ATOM 769 CB PHE A 50 -2.392 6.307 -5.141 1.00 0.00 C ATOM 770 CG PHE A 50 -3.571 5.623 -5.774 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.660 5.241 -5.008 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.590 5.364 -7.135 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.745 4.612 -5.587 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.672 4.735 -7.720 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.752 4.360 -6.945 1.00 0.00 C ATOM 0 H PHE A 50 -0.582 7.260 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.860 5.706 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.624 7.363 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.542 6.251 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.661 5.437 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.749 5.657 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.587 4.318 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.673 4.537 -8.782 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.600 3.871 -7.400 1.00 0.00 H new ATOM 785 N ILE A 51 -1.959 3.389 -3.084 1.00 0.00 N ATOM 786 CA ILE A 51 -1.585 1.982 -3.151 1.00 0.00 C ATOM 787 C ILE A 51 -2.480 1.221 -4.123 1.00 0.00 C ATOM 788 O ILE A 51 -3.652 1.556 -4.298 1.00 0.00 O ATOM 789 CB ILE A 51 -1.664 1.311 -1.766 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.799 2.071 -0.758 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.228 -0.143 -1.857 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.678 2.032 -1.079 1.00 0.00 C ATOM 0 H ILE A 51 -2.572 3.626 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.555 1.946 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.698 1.339 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.127 3.110 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.958 1.650 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.289 -0.604 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.881 -0.676 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.201 -0.193 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.230 2.591 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.021 0.997 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.850 2.480 -2.058 1.00 0.00 H new ATOM 804 N HIS A 52 -1.920 0.193 -4.754 1.00 0.00 N ATOM 805 CA HIS A 52 -2.668 -0.618 -5.707 1.00 0.00 C ATOM 806 C HIS A 52 -2.617 -2.094 -5.323 1.00 0.00 C ATOM 807 O HIS A 52 -1.682 -2.808 -5.685 1.00 0.00 O ATOM 808 CB HIS A 52 -2.112 -0.427 -7.119 1.00 0.00 C ATOM 809 CG HIS A 52 -2.403 -1.574 -8.037 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.641 -1.787 -8.606 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.606 -2.571 -8.487 1.00 0.00 C ATOM 812 CE1 HIS A 52 -3.594 -2.868 -9.364 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.370 -3.362 -9.310 1.00 0.00 N ATOM 0 H HIS A 52 -0.951 -0.097 -4.622 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.708 -0.291 -5.687 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.531 0.484 -7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.033 -0.284 -7.060 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.564 -2.717 -8.244 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.416 -3.278 -9.931 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.045 -4.196 -9.800 1.00 0.00 H new ATOM 822 N TYR A 53 -3.628 -2.544 -4.588 1.00 0.00 N ATOM 823 CA TYR A 53 -3.697 -3.934 -4.152 1.00 0.00 C ATOM 824 C TYR A 53 -3.628 -4.883 -5.345 1.00 0.00 C ATOM 825 O TYR A 53 -4.572 -4.982 -6.129 1.00 0.00 O ATOM 826 CB TYR A 53 -4.984 -4.180 -3.364 1.00 0.00 C ATOM 827 CG TYR A 53 -4.920 -3.692 -1.934 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.661 -2.358 -1.644 1.00 0.00 C ATOM 829 CD2 TYR A 53 -5.121 -4.566 -0.872 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.601 -1.909 -0.340 1.00 0.00 C ATOM 831 CE2 TYR A 53 -5.065 -4.125 0.436 1.00 0.00 C ATOM 832 CZ TYR A 53 -4.804 -2.796 0.697 1.00 0.00 C ATOM 833 OH TYR A 53 -4.747 -2.352 1.998 1.00 0.00 O ATOM 0 H TYR A 53 -4.411 -1.967 -4.282 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.841 -4.129 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.812 -3.684 -3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.203 -5.248 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.504 -1.660 -2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.324 -5.607 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.396 -0.869 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.225 -4.817 1.250 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.242 -1.513 2.036 1.00 0.00 H new ATOM 843 N SER A 54 -2.504 -5.580 -5.475 1.00 0.00 N ATOM 844 CA SER A 54 -2.309 -6.519 -6.573 1.00 0.00 C ATOM 845 C SER A 54 -3.622 -7.204 -6.941 1.00 0.00 C ATOM 846 O SER A 54 -4.451 -7.488 -6.077 1.00 0.00 O ATOM 847 CB SER A 54 -1.262 -7.568 -6.194 1.00 0.00 C ATOM 848 OG SER A 54 -1.865 -8.692 -5.576 1.00 0.00 O ATOM 0 H SER A 54 -1.714 -5.512 -4.833 1.00 0.00 H new ATOM 0 HA SER A 54 -1.956 -5.960 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.722 -7.886 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.529 -7.127 -5.518 1.00 0.00 H new ATOM 0 HG SER A 54 -1.175 -9.348 -5.345 1.00 0.00 H new ATOM 854 N GLY A 55 -3.803 -7.467 -8.231 1.00 0.00 N ATOM 855 CA GLY A 55 -5.017 -8.116 -8.693 1.00 0.00 C ATOM 856 C GLY A 55 -5.343 -7.779 -10.134 1.00 0.00 C ATOM 857 O GLY A 55 -4.734 -6.885 -10.722 1.00 0.00 O ATOM 0 H GLY A 55 -3.131 -7.243 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.909 -9.196 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.850 -7.817 -8.056 1.00 0.00 H new ATOM 861 N TRP A 56 -6.303 -8.497 -10.705 1.00 0.00 N ATOM 862 CA TRP A 56 -6.707 -8.270 -12.088 1.00 0.00 C ATOM 863 C TRP A 56 -6.928 -6.786 -12.354 1.00 0.00 C ATOM 864 O TRP A 56 -6.558 -6.273 -13.409 1.00 0.00 O ATOM 865 CB TRP A 56 -7.983 -9.053 -12.403 1.00 0.00 C ATOM 866 CG TRP A 56 -9.174 -8.586 -11.623 1.00 0.00 C ATOM 867 CD1 TRP A 56 -9.366 -8.696 -10.276 1.00 0.00 C ATOM 868 CD2 TRP A 56 -10.339 -7.936 -12.145 1.00 0.00 C ATOM 869 NE1 TRP A 56 -10.580 -8.154 -9.928 1.00 0.00 N ATOM 870 CE2 TRP A 56 -11.196 -7.680 -11.057 1.00 0.00 C ATOM 871 CE3 TRP A 56 -10.740 -7.544 -13.425 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -12.428 -7.052 -11.212 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -11.964 -6.921 -13.577 1.00 0.00 C ATOM 874 CH2 TRP A 56 -12.796 -6.679 -12.476 1.00 0.00 C ATOM 0 H TRP A 56 -6.816 -9.241 -10.232 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.904 -8.620 -12.737 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.199 -8.968 -13.468 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.813 -10.109 -12.195 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.667 -9.143 -9.585 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.961 -8.111 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -10.105 -7.725 -14.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -13.071 -6.866 -10.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -12.285 -6.615 -14.562 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -13.746 -6.189 -12.628 1.00 0.00 H new ATOM 885 N ASN A 57 -7.534 -6.100 -11.390 1.00 0.00 N ATOM 886 CA ASN A 57 -7.804 -4.673 -11.521 1.00 0.00 C ATOM 887 C ASN A 57 -8.065 -4.041 -10.157 1.00 0.00 C ATOM 888 O ASN A 57 -8.596 -4.686 -9.252 1.00 0.00 O ATOM 889 CB ASN A 57 -9.006 -4.443 -12.440 1.00 0.00 C ATOM 890 CG ASN A 57 -9.280 -2.970 -12.675 1.00 0.00 C ATOM 891 OD1 ASN A 57 -8.400 -2.225 -13.109 1.00 0.00 O ATOM 892 ND2 ASN A 57 -10.504 -2.542 -12.389 1.00 0.00 N ATOM 0 H ASN A 57 -7.847 -6.509 -10.510 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.924 -4.201 -11.958 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.828 -4.934 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.889 -4.909 -12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.746 -1.561 -12.527 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.202 -3.194 -12.031 1.00 0.00 H new ATOM 899 N LYS A 58 -7.687 -2.775 -10.016 1.00 0.00 N ATOM 900 CA LYS A 58 -7.880 -2.053 -8.764 1.00 0.00 C ATOM 901 C LYS A 58 -9.167 -2.495 -8.074 1.00 0.00 C ATOM 902 O LYS A 58 -10.266 -2.163 -8.517 1.00 0.00 O ATOM 903 CB LYS A 58 -7.919 -0.545 -9.021 1.00 0.00 C ATOM 904 CG LYS A 58 -8.965 -0.129 -10.041 1.00 0.00 C ATOM 905 CD LYS A 58 -8.722 1.284 -10.544 1.00 0.00 C ATOM 906 CE LYS A 58 -9.846 1.752 -11.456 1.00 0.00 C ATOM 907 NZ LYS A 58 -9.874 3.235 -11.586 1.00 0.00 N ATOM 0 H LYS A 58 -7.245 -2.227 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.040 -2.282 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.115 -0.030 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.938 -0.218 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.951 -0.823 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.957 -0.191 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.634 1.963 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.775 1.322 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.724 1.303 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.801 1.404 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.654 3.514 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.016 3.663 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.972 3.566 -11.985 1.00 0.00 H new ATOM 921 N ASN A 59 -9.023 -3.245 -6.986 1.00 0.00 N ATOM 922 CA ASN A 59 -10.174 -3.731 -6.235 1.00 0.00 C ATOM 923 C ASN A 59 -10.393 -2.898 -4.976 1.00 0.00 C ATOM 924 O ASN A 59 -11.504 -2.438 -4.710 1.00 0.00 O ATOM 925 CB ASN A 59 -9.980 -5.202 -5.859 1.00 0.00 C ATOM 926 CG ASN A 59 -10.171 -6.131 -7.043 1.00 0.00 C ATOM 927 OD1 ASN A 59 -11.113 -5.978 -7.820 1.00 0.00 O ATOM 928 ND2 ASN A 59 -9.275 -7.101 -7.184 1.00 0.00 N ATOM 0 H ASN A 59 -8.120 -3.529 -6.605 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.056 -3.638 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.979 -5.341 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.686 -5.470 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.352 -7.757 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.510 -7.190 -6.515 1.00 0.00 H new ATOM 935 N TRP A 60 -9.328 -2.709 -4.205 1.00 0.00 N ATOM 936 CA TRP A 60 -9.404 -1.930 -2.974 1.00 0.00 C ATOM 937 C TRP A 60 -8.498 -0.707 -3.048 1.00 0.00 C ATOM 938 O TRP A 60 -7.849 -0.344 -2.066 1.00 0.00 O ATOM 939 CB TRP A 60 -9.017 -2.796 -1.775 1.00 0.00 C ATOM 940 CG TRP A 60 -9.962 -3.934 -1.533 1.00 0.00 C ATOM 941 CD1 TRP A 60 -11.327 -3.882 -1.547 1.00 0.00 C ATOM 942 CD2 TRP A 60 -9.613 -5.291 -1.240 1.00 0.00 C ATOM 943 NE1 TRP A 60 -11.847 -5.126 -1.280 1.00 0.00 N ATOM 944 CE2 TRP A 60 -10.817 -6.008 -1.089 1.00 0.00 C ATOM 945 CE3 TRP A 60 -8.401 -5.971 -1.093 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -10.840 -7.369 -0.796 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -8.427 -7.322 -0.802 1.00 0.00 C ATOM 948 CH2 TRP A 60 -9.639 -8.009 -0.658 1.00 0.00 C ATOM 0 H TRP A 60 -8.402 -3.084 -4.410 1.00 0.00 H new ATOM 0 HA TRP A 60 -10.432 -1.590 -2.850 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -8.014 -3.193 -1.932 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.976 -2.171 -0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.911 -2.994 -1.739 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.840 -5.355 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.461 -5.450 -1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.773 -7.901 -0.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.496 -7.857 -0.684 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.625 -9.065 -0.433 1.00 0.00 H new ATOM 959 N ASP A 61 -8.458 -0.074 -4.215 1.00 0.00 N ATOM 960 CA ASP A 61 -7.631 1.110 -4.415 1.00 0.00 C ATOM 961 C ASP A 61 -7.966 2.186 -3.387 1.00 0.00 C ATOM 962 O ASP A 61 -9.063 2.744 -3.393 1.00 0.00 O ATOM 963 CB ASP A 61 -7.825 1.660 -5.829 1.00 0.00 C ATOM 964 CG ASP A 61 -9.276 1.637 -6.266 1.00 0.00 C ATOM 965 OD1 ASP A 61 -9.802 0.533 -6.518 1.00 0.00 O ATOM 966 OD2 ASP A 61 -9.887 2.723 -6.357 1.00 0.00 O ATOM 0 H ASP A 61 -8.989 -0.361 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.588 0.821 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.452 2.683 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.229 1.074 -6.528 1.00 0.00 H new ATOM 971 N GLU A 62 -7.013 2.472 -2.505 1.00 0.00 N ATOM 972 CA GLU A 62 -7.209 3.480 -1.469 1.00 0.00 C ATOM 973 C GLU A 62 -5.911 4.233 -1.191 1.00 0.00 C ATOM 974 O GLU A 62 -4.853 3.880 -1.711 1.00 0.00 O ATOM 975 CB GLU A 62 -7.719 2.828 -0.182 1.00 0.00 C ATOM 976 CG GLU A 62 -6.959 1.571 0.207 1.00 0.00 C ATOM 977 CD GLU A 62 -5.702 1.872 1.000 1.00 0.00 C ATOM 978 OE1 GLU A 62 -5.807 2.047 2.232 1.00 0.00 O ATOM 979 OE2 GLU A 62 -4.615 1.932 0.389 1.00 0.00 O ATOM 0 H GLU A 62 -6.099 2.021 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.953 4.192 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.652 3.550 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.774 2.582 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.610 0.925 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.692 1.019 -0.694 1.00 0.00 H new ATOM 986 N TRP A 63 -6.002 5.272 -0.370 1.00 0.00 N ATOM 987 CA TRP A 63 -4.836 6.076 -0.023 1.00 0.00 C ATOM 988 C TRP A 63 -4.338 5.737 1.378 1.00 0.00 C ATOM 989 O TRP A 63 -5.129 5.594 2.311 1.00 0.00 O ATOM 990 CB TRP A 63 -5.174 7.566 -0.110 1.00 0.00 C ATOM 991 CG TRP A 63 -5.187 8.090 -1.515 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.273 8.208 -2.335 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.063 8.564 -2.263 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.891 8.727 -3.548 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.541 8.955 -3.529 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.700 8.699 -1.987 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.702 9.470 -4.515 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.869 9.209 -2.966 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.372 9.590 -4.217 1.00 0.00 C ATOM 0 H TRP A 63 -6.871 5.578 0.068 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.043 5.848 -0.736 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.150 7.737 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.448 8.131 0.474 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.283 7.934 -2.069 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.512 8.913 -4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.303 8.410 -1.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.088 9.764 -5.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.814 9.316 -2.763 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.697 9.986 -4.961 1.00 0.00 H new ATOM 1010 N VAL A 64 -3.023 5.610 1.519 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.419 5.289 2.807 1.00 0.00 C ATOM 1012 C VAL A 64 -1.268 6.236 3.126 1.00 0.00 C ATOM 1013 O VAL A 64 -0.600 6.763 2.236 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.900 3.839 2.838 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.919 2.894 2.219 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.562 3.737 2.121 1.00 0.00 C ATOM 0 H VAL A 64 -2.355 5.724 0.757 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.199 5.404 3.559 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.753 3.546 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.535 1.874 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.852 2.947 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.101 3.182 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.210 2.706 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.681 4.048 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.165 4.384 2.613 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.029 6.459 4.427 1.00 0.00 N ATOM 1027 CA PRO A 65 0.043 7.343 4.894 1.00 0.00 C ATOM 1028 C PRO A 65 1.428 6.760 4.639 1.00 0.00 C ATOM 1029 O PRO A 65 1.565 5.726 3.986 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.221 7.456 6.398 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.957 6.209 6.748 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.786 5.865 5.542 1.00 0.00 C ATOM 0 HA PRO A 65 0.038 8.300 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.710 7.537 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.811 8.343 6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.265 5.402 6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.587 6.361 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.896 4.787 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.791 6.282 5.613 1.00 0.00 H new ATOM 1040 N GLU A 66 2.453 7.429 5.159 1.00 0.00 N ATOM 1041 CA GLU A 66 3.828 6.976 4.986 1.00 0.00 C ATOM 1042 C GLU A 66 4.189 5.923 6.029 1.00 0.00 C ATOM 1043 O GLU A 66 5.280 5.354 6.001 1.00 0.00 O ATOM 1044 CB GLU A 66 4.794 8.158 5.082 1.00 0.00 C ATOM 1045 CG GLU A 66 6.257 7.759 4.982 1.00 0.00 C ATOM 1046 CD GLU A 66 7.185 8.956 4.907 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.235 9.600 3.838 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.860 9.248 5.916 1.00 0.00 O ATOM 0 H GLU A 66 2.357 8.286 5.703 1.00 0.00 H new ATOM 0 HA GLU A 66 3.914 6.526 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.565 8.869 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.631 8.674 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.524 7.151 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.400 7.137 4.098 1.00 0.00 H new ATOM 1055 N SER A 67 3.265 5.670 6.951 1.00 0.00 N ATOM 1056 CA SER A 67 3.486 4.690 8.007 1.00 0.00 C ATOM 1057 C SER A 67 2.875 3.342 7.634 1.00 0.00 C ATOM 1058 O SER A 67 3.390 2.289 8.011 1.00 0.00 O ATOM 1059 CB SER A 67 2.890 5.185 9.326 1.00 0.00 C ATOM 1060 OG SER A 67 3.517 4.564 10.434 1.00 0.00 O ATOM 0 H SER A 67 2.356 6.131 6.987 1.00 0.00 H new ATOM 0 HA SER A 67 4.561 4.561 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.006 6.266 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.820 4.977 9.346 1.00 0.00 H new ATOM 0 HG SER A 67 3.119 4.899 11.265 1.00 0.00 H new ATOM 1066 N ARG A 68 1.774 3.384 6.891 1.00 0.00 N ATOM 1067 CA ARG A 68 1.091 2.168 6.468 1.00 0.00 C ATOM 1068 C ARG A 68 1.797 1.536 5.272 1.00 0.00 C ATOM 1069 O ARG A 68 1.337 0.534 4.724 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.365 2.473 6.111 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.275 2.602 7.322 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.698 2.175 6.999 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.607 2.406 8.118 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.184 3.577 8.366 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -3.948 4.616 7.578 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.000 3.709 9.404 1.00 0.00 N ATOM 0 H ARG A 68 1.336 4.247 6.570 1.00 0.00 H new ATOM 0 HA ARG A 68 1.114 1.461 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.403 3.399 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.745 1.682 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.887 1.991 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.274 3.635 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.051 2.724 6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.708 1.117 6.736 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.810 1.626 8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.322 4.518 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.392 5.514 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.185 2.911 10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.443 4.608 9.594 1.00 0.00 H new ATOM 1090 N VAL A 69 2.917 2.129 4.872 1.00 0.00 N ATOM 1091 CA VAL A 69 3.688 1.625 3.741 1.00 0.00 C ATOM 1092 C VAL A 69 5.048 1.105 4.192 1.00 0.00 C ATOM 1093 O VAL A 69 5.722 1.727 5.014 1.00 0.00 O ATOM 1094 CB VAL A 69 3.895 2.714 2.672 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.435 2.106 1.387 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.594 3.460 2.413 1.00 0.00 C ATOM 0 H VAL A 69 3.311 2.959 5.314 1.00 0.00 H new ATOM 0 HA VAL A 69 3.115 0.806 3.307 1.00 0.00 H new ATOM 0 HB VAL A 69 4.630 3.428 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.575 2.891 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.391 1.622 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.727 1.369 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.758 4.226 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.836 2.759 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.254 3.930 3.336 1.00 0.00 H new ATOM 1106 N LEU A 70 5.448 -0.039 3.647 1.00 0.00 N ATOM 1107 CA LEU A 70 6.730 -0.644 3.992 1.00 0.00 C ATOM 1108 C LEU A 70 7.703 -0.563 2.820 1.00 0.00 C ATOM 1109 O LEU A 70 7.305 -0.300 1.685 1.00 0.00 O ATOM 1110 CB LEU A 70 6.533 -2.103 4.407 1.00 0.00 C ATOM 1111 CG LEU A 70 5.457 -2.361 5.463 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.302 -3.853 5.713 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.795 -1.634 6.757 1.00 0.00 C ATOM 0 H LEU A 70 4.903 -0.566 2.965 1.00 0.00 H new ATOM 0 HA LEU A 70 7.152 -0.089 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.287 -2.683 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.482 -2.484 4.784 1.00 0.00 H new ATOM 0 HG LEU A 70 4.508 -1.975 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.532 -4.018 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.014 -4.349 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.248 -4.263 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.019 -1.829 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.754 -1.990 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.855 -0.562 6.567 1.00 0.00 H new ATOM 1125 N LYS A 71 8.981 -0.794 3.102 1.00 0.00 N ATOM 1126 CA LYS A 71 10.012 -0.752 2.071 1.00 0.00 C ATOM 1127 C LYS A 71 10.106 -2.088 1.342 1.00 0.00 C ATOM 1128 O LYS A 71 11.015 -2.305 0.540 1.00 0.00 O ATOM 1129 CB LYS A 71 11.366 -0.400 2.690 1.00 0.00 C ATOM 1130 CG LYS A 71 11.500 1.066 3.066 1.00 0.00 C ATOM 1131 CD LYS A 71 10.677 1.404 4.297 1.00 0.00 C ATOM 1132 CE LYS A 71 11.181 2.669 4.975 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.625 2.821 6.348 1.00 0.00 N ATOM 0 H LYS A 71 9.328 -1.012 4.036 1.00 0.00 H new ATOM 0 HA LYS A 71 9.739 0.017 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.519 -1.010 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.157 -0.660 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.548 1.300 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.178 1.688 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.633 1.534 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.715 0.573 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.270 2.646 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.908 3.537 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.992 3.695 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.587 2.869 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.907 2.006 6.929 1.00 0.00 H new ATOM 1147 N TYR A 72 9.163 -2.979 1.624 1.00 0.00 N ATOM 1148 CA TYR A 72 9.141 -4.294 0.994 1.00 0.00 C ATOM 1149 C TYR A 72 10.542 -4.896 0.940 1.00 0.00 C ATOM 1150 O TYR A 72 11.016 -5.300 -0.122 1.00 0.00 O ATOM 1151 CB TYR A 72 8.560 -4.198 -0.417 1.00 0.00 C ATOM 1152 CG TYR A 72 7.804 -5.435 -0.847 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.474 -6.619 -1.129 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.420 -5.419 -0.971 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.787 -7.752 -1.522 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.725 -6.547 -1.363 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.413 -7.711 -1.637 1.00 0.00 C ATOM 1158 OH TYR A 72 5.725 -8.837 -2.029 1.00 0.00 O ATOM 0 H TYR A 72 8.403 -2.815 2.285 1.00 0.00 H new ATOM 0 HA TYR A 72 8.508 -4.946 1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.892 -3.338 -0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.370 -4.014 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.550 -6.655 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.878 -4.509 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.323 -8.664 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.649 -6.518 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 72 4.765 -8.640 -2.059 1.00 0.00 H new ATOM 1168 N VAL A 73 11.200 -4.951 2.094 1.00 0.00 N ATOM 1169 CA VAL A 73 12.546 -5.505 2.180 1.00 0.00 C ATOM 1170 C VAL A 73 12.553 -6.813 2.962 1.00 0.00 C ATOM 1171 O VAL A 73 11.667 -7.066 3.777 1.00 0.00 O ATOM 1172 CB VAL A 73 13.518 -4.514 2.848 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.821 -3.351 1.916 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.947 -4.016 4.167 1.00 0.00 C ATOM 0 H VAL A 73 10.823 -4.619 2.982 1.00 0.00 H new ATOM 0 HA VAL A 73 12.877 -5.695 1.159 1.00 0.00 H new ATOM 0 HB VAL A 73 14.453 -5.034 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.509 -2.662 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.276 -3.728 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.896 -2.828 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.646 -3.317 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.997 -3.513 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.787 -4.861 4.837 1.00 0.00 H new ATOM 1184 N ASP A 74 13.560 -7.642 2.707 1.00 0.00 N ATOM 1185 CA ASP A 74 13.685 -8.925 3.389 1.00 0.00 C ATOM 1186 C ASP A 74 13.180 -8.829 4.825 1.00 0.00 C ATOM 1187 O ASP A 74 12.466 -9.711 5.305 1.00 0.00 O ATOM 1188 CB ASP A 74 15.140 -9.394 3.377 1.00 0.00 C ATOM 1189 CG ASP A 74 15.592 -9.847 2.003 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.356 -11.024 1.659 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.182 -9.025 1.270 1.00 0.00 O ATOM 0 H ASP A 74 14.301 -7.448 2.033 1.00 0.00 H new ATOM 0 HA ASP A 74 13.073 -9.653 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.783 -8.583 3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.260 -10.215 4.084 1.00 0.00 H new ATOM 1196 N THR A 75 13.555 -7.753 5.508 1.00 0.00 N ATOM 1197 CA THR A 75 13.142 -7.542 6.890 1.00 0.00 C ATOM 1198 C THR A 75 11.629 -7.395 6.996 1.00 0.00 C ATOM 1199 O THR A 75 10.977 -8.114 7.751 1.00 0.00 O ATOM 1200 CB THR A 75 13.812 -6.292 7.492 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.187 -6.234 7.096 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.716 -6.305 9.010 1.00 0.00 C ATOM 0 H THR A 75 14.145 -7.013 5.127 1.00 0.00 H new ATOM 0 HA THR A 75 13.458 -8.421 7.452 1.00 0.00 H new ATOM 0 HB THR A 75 13.290 -5.411 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.605 -5.436 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.196 -5.413 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.668 -6.319 9.308 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.216 -7.192 9.399 1.00 0.00 H new ATOM 1210 N ASN A 76 11.076 -6.457 6.233 1.00 0.00 N ATOM 1211 CA ASN A 76 9.637 -6.216 6.241 1.00 0.00 C ATOM 1212 C ASN A 76 8.874 -7.459 5.793 1.00 0.00 C ATOM 1213 O ASN A 76 7.741 -7.691 6.216 1.00 0.00 O ATOM 1214 CB ASN A 76 9.292 -5.036 5.330 1.00 0.00 C ATOM 1215 CG ASN A 76 9.978 -3.754 5.760 1.00 0.00 C ATOM 1216 OD1 ASN A 76 10.346 -3.594 6.924 1.00 0.00 O ATOM 1217 ND2 ASN A 76 10.152 -2.832 4.820 1.00 0.00 N ATOM 0 H ASN A 76 11.602 -5.852 5.602 1.00 0.00 H new ATOM 0 HA ASN A 76 9.339 -5.978 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.581 -5.274 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.213 -4.885 5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.607 -1.948 5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.831 -3.008 3.868 1.00 0.00 H new ATOM 1224 N LEU A 77 9.503 -8.255 4.936 1.00 0.00 N ATOM 1225 CA LEU A 77 8.885 -9.476 4.431 1.00 0.00 C ATOM 1226 C LEU A 77 8.614 -10.459 5.565 1.00 0.00 C ATOM 1227 O LEU A 77 7.575 -11.117 5.593 1.00 0.00 O ATOM 1228 CB LEU A 77 9.783 -10.128 3.378 1.00 0.00 C ATOM 1229 CG LEU A 77 9.980 -9.341 2.082 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.979 -10.044 1.177 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.651 -9.149 1.367 1.00 0.00 C ATOM 0 H LEU A 77 10.441 -8.077 4.576 1.00 0.00 H new ATOM 0 HA LEU A 77 7.933 -9.209 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.762 -10.305 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.366 -11.103 3.127 1.00 0.00 H new ATOM 0 HG LEU A 77 10.379 -8.358 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.106 -9.469 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.938 -10.127 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.610 -11.040 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.811 -8.587 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.223 -10.122 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.966 -8.600 2.013 1.00 0.00 H new ATOM 1243 N GLN A 78 9.556 -10.552 6.498 1.00 0.00 N ATOM 1244 CA GLN A 78 9.418 -11.454 7.635 1.00 0.00 C ATOM 1245 C GLN A 78 8.054 -11.291 8.297 1.00 0.00 C ATOM 1246 O GLN A 78 7.560 -12.203 8.960 1.00 0.00 O ATOM 1247 CB GLN A 78 10.527 -11.195 8.656 1.00 0.00 C ATOM 1248 CG GLN A 78 10.166 -10.144 9.694 1.00 0.00 C ATOM 1249 CD GLN A 78 11.361 -9.698 10.512 1.00 0.00 C ATOM 1250 OE1 GLN A 78 11.853 -10.435 11.368 1.00 0.00 O ATOM 1251 NE2 GLN A 78 11.837 -8.485 10.254 1.00 0.00 N ATOM 0 H GLN A 78 10.423 -10.014 6.489 1.00 0.00 H new ATOM 0 HA GLN A 78 9.503 -12.477 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.766 -12.129 9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.428 -10.879 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.730 -9.279 9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.403 -10.545 10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.399 -7.907 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.640 -8.131 10.774 1.00 0.00 H new ATOM 1260 N LYS A 79 7.448 -10.122 8.112 1.00 0.00 N ATOM 1261 CA LYS A 79 6.140 -9.838 8.690 1.00 0.00 C ATOM 1262 C LYS A 79 5.024 -10.209 7.718 1.00 0.00 C ATOM 1263 O LYS A 79 4.177 -11.048 8.023 1.00 0.00 O ATOM 1264 CB LYS A 79 6.035 -8.358 9.063 1.00 0.00 C ATOM 1265 CG LYS A 79 4.710 -7.985 9.705 1.00 0.00 C ATOM 1266 CD LYS A 79 4.663 -6.511 10.071 1.00 0.00 C ATOM 1267 CE LYS A 79 3.463 -6.193 10.951 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.726 -5.036 11.850 1.00 0.00 N ATOM 0 H LYS A 79 7.843 -9.356 7.566 1.00 0.00 H new ATOM 0 HA LYS A 79 6.029 -10.442 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.845 -8.106 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.177 -7.755 8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.895 -8.217 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.556 -8.588 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.580 -6.235 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.618 -5.911 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.599 -5.976 10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.210 -7.068 11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.981 -4.322 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.732 -5.359 12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.649 -4.618 11.617 1.00 0.00 H new ATOM 1282 N GLN A 80 5.031 -9.578 6.548 1.00 0.00 N ATOM 1283 CA GLN A 80 4.020 -9.843 5.532 1.00 0.00 C ATOM 1284 C GLN A 80 3.586 -11.305 5.563 1.00 0.00 C ATOM 1285 O GLN A 80 2.414 -11.620 5.358 1.00 0.00 O ATOM 1286 CB GLN A 80 4.555 -9.488 4.144 1.00 0.00 C ATOM 1287 CG GLN A 80 3.990 -10.357 3.032 1.00 0.00 C ATOM 1288 CD GLN A 80 4.840 -11.583 2.760 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.985 -11.669 3.205 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.283 -12.539 2.026 1.00 0.00 N ATOM 0 H GLN A 80 5.725 -8.880 6.281 1.00 0.00 H new ATOM 0 HA GLN A 80 3.152 -9.220 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.324 -8.444 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.641 -9.579 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.981 -10.671 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.909 -9.766 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.331 -12.425 1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.807 -13.387 1.810 1.00 0.00 H new ATOM 1299 N ARG A 81 4.539 -12.195 5.822 1.00 0.00 N ATOM 1300 CA ARG A 81 4.256 -13.624 5.879 1.00 0.00 C ATOM 1301 C ARG A 81 3.740 -14.021 7.259 1.00 0.00 C ATOM 1302 O ARG A 81 2.689 -14.650 7.381 1.00 0.00 O ATOM 1303 CB ARG A 81 5.512 -14.428 5.541 1.00 0.00 C ATOM 1304 CG ARG A 81 6.656 -14.210 6.519 1.00 0.00 C ATOM 1305 CD ARG A 81 7.949 -14.827 6.010 1.00 0.00 C ATOM 1306 NE ARG A 81 8.325 -14.305 4.699 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.480 -14.578 4.102 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.368 -15.364 4.697 1.00 0.00 N ATOM 1309 NH2 ARG A 81 9.750 -14.066 2.909 1.00 0.00 N ATOM 0 H ARG A 81 5.514 -11.951 5.996 1.00 0.00 H new ATOM 0 HA ARG A 81 3.483 -13.846 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.260 -15.488 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.846 -14.160 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.800 -13.142 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.399 -14.646 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.750 -14.629 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.835 -15.909 5.950 1.00 0.00 H new ATOM 0 HE ARG A 81 7.664 -13.697 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.165 -15.760 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.254 -15.572 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.070 -13.461 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.637 -14.277 2.452 1.00 0.00 H new ATOM 1323 N GLU A 82 4.486 -13.649 8.294 1.00 0.00 N ATOM 1324 CA GLU A 82 4.104 -13.969 9.664 1.00 0.00 C ATOM 1325 C GLU A 82 2.622 -13.689 9.895 1.00 0.00 C ATOM 1326 O GLU A 82 1.949 -14.411 10.632 1.00 0.00 O ATOM 1327 CB GLU A 82 4.947 -13.162 10.654 1.00 0.00 C ATOM 1328 CG GLU A 82 4.301 -11.853 11.078 1.00 0.00 C ATOM 1329 CD GLU A 82 5.183 -11.041 12.006 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.406 -11.291 12.033 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.649 -10.155 12.706 1.00 0.00 O ATOM 0 H GLU A 82 5.358 -13.126 8.210 1.00 0.00 H new ATOM 0 HA GLU A 82 4.285 -15.032 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.133 -13.769 11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.917 -12.950 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.071 -11.262 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.354 -12.064 11.575 1.00 0.00 H new ATOM 1338 N LEU A 83 2.119 -12.635 9.261 1.00 0.00 N ATOM 1339 CA LEU A 83 0.717 -12.258 9.397 1.00 0.00 C ATOM 1340 C LEU A 83 -0.164 -13.097 8.477 1.00 0.00 C ATOM 1341 O LEU A 83 -1.102 -13.753 8.930 1.00 0.00 O ATOM 1342 CB LEU A 83 0.535 -10.772 9.080 1.00 0.00 C ATOM 1343 CG LEU A 83 1.332 -9.798 9.949 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.119 -8.368 9.479 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.940 -9.945 11.412 1.00 0.00 C ATOM 0 H LEU A 83 2.662 -12.027 8.648 1.00 0.00 H new ATOM 0 HA LEU A 83 0.415 -12.443 10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.810 -10.607 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.523 -10.528 9.173 1.00 0.00 H new ATOM 0 HG LEU A 83 2.391 -10.037 9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.694 -7.689 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.450 -8.272 8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.060 -8.117 9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.517 -9.244 12.015 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.123 -9.733 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.145 -10.963 11.743 1.00 0.00 H new ATOM 1357 N GLN A 84 0.146 -13.072 7.185 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.617 -13.833 6.202 1.00 0.00 C ATOM 1359 C GLN A 84 -0.784 -15.282 6.645 1.00 0.00 C ATOM 1360 O GLN A 84 -1.753 -15.948 6.279 1.00 0.00 O ATOM 1361 CB GLN A 84 0.072 -13.779 4.838 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.048 -12.431 4.147 1.00 0.00 C ATOM 1363 CD GLN A 84 0.781 -12.347 2.881 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.273 -13.358 2.379 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.940 -11.138 2.356 1.00 0.00 N ATOM 0 H GLN A 84 0.919 -12.534 6.794 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.606 -13.383 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.127 -14.020 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.356 -14.547 4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.094 -12.243 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.266 -11.646 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.515 -10.327 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.488 -11.020 1.504 1.00 0.00 H new ATOM 1374 N LYS A 85 0.169 -15.768 7.434 1.00 0.00 N ATOM 1375 CA LYS A 85 0.128 -17.139 7.929 1.00 0.00 C ATOM 1376 C LYS A 85 -0.489 -17.197 9.323 1.00 0.00 C ATOM 1377 O LYS A 85 -0.978 -18.241 9.752 1.00 0.00 O ATOM 1378 CB LYS A 85 1.538 -17.733 7.958 1.00 0.00 C ATOM 1379 CG LYS A 85 2.381 -17.243 9.123 1.00 0.00 C ATOM 1380 CD LYS A 85 3.573 -18.152 9.371 1.00 0.00 C ATOM 1381 CE LYS A 85 3.204 -19.322 10.271 1.00 0.00 C ATOM 1382 NZ LYS A 85 3.014 -18.895 11.684 1.00 0.00 N ATOM 0 H LYS A 85 0.980 -15.232 7.744 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.494 -17.725 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.464 -18.819 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.046 -17.488 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.730 -16.231 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.767 -17.194 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.949 -18.528 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.380 -17.579 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.288 -19.787 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.987 -20.079 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.017 -19.731 12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.787 -18.257 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.105 -18.398 11.777 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.462 -16.068 10.024 1.00 0.00 N ATOM 1397 CA ALA A 86 -1.022 -15.990 11.367 1.00 0.00 C ATOM 1398 C ALA A 86 -2.541 -16.126 11.338 1.00 0.00 C ATOM 1399 O ALA A 86 -3.127 -16.820 12.168 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.620 -14.681 12.032 1.00 0.00 C ATOM 0 H ALA A 86 -0.058 -15.195 9.684 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.620 -16.819 11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.045 -14.637 13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.467 -14.624 12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.993 -13.844 11.442 1.00 0.00 H new ATOM 1406 N ASN A 87 -3.171 -15.458 10.377 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.623 -15.504 10.241 1.00 0.00 C ATOM 1408 C ASN A 87 -5.024 -15.892 8.821 1.00 0.00 C ATOM 1409 O ASN A 87 -5.154 -15.036 7.947 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.233 -14.148 10.603 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.513 -13.480 11.758 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -4.482 -14.004 12.871 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.930 -12.315 11.498 1.00 0.00 N ATOM 0 H ASN A 87 -2.700 -14.879 9.682 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.004 -16.261 10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.201 -13.494 9.732 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.283 -14.283 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.431 -11.818 12.236 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.981 -11.917 10.560 1.00 0.00 H new ATOM 1420 N GLN A 88 -5.219 -17.189 8.601 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.605 -17.690 7.288 1.00 0.00 C ATOM 1422 C GLN A 88 -7.059 -17.348 6.980 1.00 0.00 C ATOM 1423 O GLN A 88 -7.353 -16.685 5.986 1.00 0.00 O ATOM 1424 CB GLN A 88 -5.399 -19.204 7.216 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.962 -19.610 6.933 1.00 0.00 C ATOM 1426 CD GLN A 88 -3.643 -21.008 7.424 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -4.536 -21.839 7.589 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -2.364 -21.276 7.660 1.00 0.00 N ATOM 0 H GLN A 88 -5.116 -17.910 9.315 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.972 -17.208 6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.715 -19.650 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.043 -19.613 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.778 -19.555 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.287 -18.899 7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.656 -20.557 7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.089 -22.201 7.992 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.964 -17.804 7.841 1.00 0.00 N ATOM 1438 CA GLU A 89 -9.388 -17.546 7.659 1.00 0.00 C ATOM 1439 C GLU A 89 -9.623 -16.131 7.139 1.00 0.00 C ATOM 1440 O GLU A 89 -10.213 -15.940 6.076 1.00 0.00 O ATOM 1441 CB GLU A 89 -10.138 -17.748 8.978 1.00 0.00 C ATOM 1442 CG GLU A 89 -11.579 -18.192 8.796 1.00 0.00 C ATOM 1443 CD GLU A 89 -12.482 -17.718 9.919 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -12.609 -18.444 10.926 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -13.060 -16.619 9.789 1.00 0.00 O ATOM 0 H GLU A 89 -7.737 -18.353 8.670 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.768 -18.253 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.610 -18.491 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.122 -16.815 9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.955 -17.811 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.616 -19.280 8.740 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.156 -15.143 7.897 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.317 -13.746 7.513 1.00 0.00 C ATOM 1454 C GLN A 90 -8.858 -13.520 6.077 1.00 0.00 C ATOM 1455 O GLN A 90 -9.665 -13.225 5.195 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.528 -12.841 8.462 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.241 -12.571 9.777 1.00 0.00 C ATOM 1458 CD GLN A 90 -9.391 -13.817 10.627 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -8.534 -14.701 10.610 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -10.485 -13.895 11.376 1.00 0.00 N ATOM 0 H GLN A 90 -8.664 -15.285 8.779 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.376 -13.496 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.562 -13.301 8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.329 -11.892 7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.687 -11.818 10.338 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.227 -12.155 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.169 -13.139 11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.641 -14.711 11.968 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.556 -13.658 5.848 1.00 0.00 N ATOM 1470 CA TYR A 91 -6.989 -13.466 4.519 1.00 0.00 C ATOM 1471 C TYR A 91 -7.867 -14.115 3.453 1.00 0.00 C ATOM 1472 O TYR A 91 -8.254 -13.473 2.477 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.576 -14.048 4.455 1.00 0.00 C ATOM 1474 CG TYR A 91 -4.669 -13.331 3.482 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -3.956 -12.203 3.868 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -4.524 -13.781 2.175 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -3.126 -11.544 2.982 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.696 -13.129 1.282 1.00 0.00 C ATOM 1479 CZ TYR A 91 -2.999 -12.011 1.690 1.00 0.00 C ATOM 1480 OH TYR A 91 -2.173 -11.358 0.804 1.00 0.00 O ATOM 0 H TYR A 91 -6.874 -13.902 6.566 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.943 -12.395 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.131 -14.009 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.638 -15.099 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.052 -11.835 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.068 -14.656 1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.580 -10.668 3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.595 -13.493 0.270 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.196 -11.815 -0.062 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.178 -15.392 3.648 1.00 0.00 N ATOM 1491 CA ALA A 92 -9.012 -16.128 2.707 1.00 0.00 C ATOM 1492 C ALA A 92 -10.343 -15.420 2.483 1.00 0.00 C ATOM 1493 O ALA A 92 -10.842 -15.359 1.359 1.00 0.00 O ATOM 1494 CB ALA A 92 -9.244 -17.547 3.205 1.00 0.00 C ATOM 0 H ALA A 92 -7.864 -15.939 4.450 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.488 -16.171 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.869 -18.085 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.287 -18.058 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.743 -17.516 4.173 1.00 0.00 H new ATOM 1500 N GLU A 93 -10.914 -14.887 3.559 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.189 -14.185 3.478 1.00 0.00 C ATOM 1502 C GLU A 93 -12.287 -13.383 2.183 1.00 0.00 C ATOM 1503 O GLU A 93 -13.351 -13.301 1.570 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.361 -13.255 4.681 1.00 0.00 C ATOM 1505 CG GLU A 93 -13.809 -13.068 5.103 1.00 0.00 C ATOM 1506 CD GLU A 93 -14.452 -14.359 5.569 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -14.234 -14.742 6.738 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -15.172 -14.987 4.765 1.00 0.00 O ATOM 0 H GLU A 93 -10.514 -14.928 4.496 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.986 -14.929 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.795 -13.654 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.932 -12.282 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.857 -12.332 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.378 -12.664 4.266 1.00 0.00 H new ATOM 1515 N GLY A 94 -11.169 -12.792 1.773 1.00 0.00 N ATOM 1516 CA GLY A 94 -11.149 -12.004 0.555 1.00 0.00 C ATOM 1517 C GLY A 94 -10.506 -12.741 -0.603 1.00 0.00 C ATOM 1518 O GLY A 94 -9.736 -12.161 -1.368 1.00 0.00 O ATOM 0 H GLY A 94 -10.276 -12.845 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.169 -11.731 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.608 -11.075 0.736 1.00 0.00 H new ATOM 1522 N LYS A 95 -10.820 -14.026 -0.732 1.00 0.00 N ATOM 1523 CA LYS A 95 -10.267 -14.846 -1.803 1.00 0.00 C ATOM 1524 C LYS A 95 -11.350 -15.710 -2.441 1.00 0.00 C ATOM 1525 O LYS A 95 -12.452 -15.833 -1.909 1.00 0.00 O ATOM 1526 CB LYS A 95 -9.142 -15.733 -1.266 1.00 0.00 C ATOM 1527 CG LYS A 95 -8.017 -14.955 -0.605 1.00 0.00 C ATOM 1528 CD LYS A 95 -7.244 -14.125 -1.615 1.00 0.00 C ATOM 1529 CE LYS A 95 -6.277 -13.172 -0.930 1.00 0.00 C ATOM 1530 NZ LYS A 95 -6.989 -12.071 -0.225 1.00 0.00 N ATOM 0 H LYS A 95 -11.455 -14.522 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.863 -14.180 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.558 -16.437 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.732 -16.322 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.428 -14.302 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.339 -15.647 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.693 -14.785 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.941 -13.557 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.666 -13.725 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.598 -12.750 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.520 -11.166 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.976 -12.031 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.969 -12.245 0.800 1.00 0.00 H new ATOM 1544 N MET A 96 -11.027 -16.307 -3.584 1.00 0.00 N ATOM 1545 CA MET A 96 -11.972 -17.163 -4.292 1.00 0.00 C ATOM 1546 C MET A 96 -11.677 -18.636 -4.027 1.00 0.00 C ATOM 1547 O MET A 96 -12.579 -19.413 -3.714 1.00 0.00 O ATOM 1548 CB MET A 96 -11.919 -16.882 -5.795 1.00 0.00 C ATOM 1549 CG MET A 96 -12.886 -15.800 -6.246 1.00 0.00 C ATOM 1550 SD MET A 96 -14.608 -16.231 -5.929 1.00 0.00 S ATOM 1551 CE MET A 96 -15.390 -15.618 -7.419 1.00 0.00 C ATOM 0 H MET A 96 -10.119 -16.214 -4.039 1.00 0.00 H new ATOM 0 HA MET A 96 -12.973 -16.940 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 96 -10.905 -16.587 -6.066 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.138 -17.802 -6.336 1.00 0.00 H new ATOM 0 HG2 MET A 96 -12.648 -14.869 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.751 -15.619 -7.312 1.00 0.00 H new ATOM 0 HE1 MET A 96 -16.462 -15.811 -7.373 1.00 0.00 H new ATOM 0 HE2 MET A 96 -15.218 -14.545 -7.505 1.00 0.00 H new ATOM 0 HE3 MET A 96 -14.967 -16.124 -8.287 1.00 0.00 H new ATOM 1561 N ARG A 97 -10.409 -19.012 -4.155 1.00 0.00 N ATOM 1562 CA ARG A 97 -9.995 -20.393 -3.930 1.00 0.00 C ATOM 1563 C ARG A 97 -8.754 -20.451 -3.045 1.00 0.00 C ATOM 1564 O ARG A 97 -7.768 -19.758 -3.294 1.00 0.00 O ATOM 1565 CB ARG A 97 -9.717 -21.087 -5.264 1.00 0.00 C ATOM 1566 CG ARG A 97 -9.650 -22.602 -5.160 1.00 0.00 C ATOM 1567 CD ARG A 97 -8.280 -23.069 -4.693 1.00 0.00 C ATOM 1568 NE ARG A 97 -8.223 -24.519 -4.529 1.00 0.00 N ATOM 1569 CZ ARG A 97 -8.081 -25.368 -5.540 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -7.983 -24.914 -6.782 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -8.037 -26.674 -5.310 1.00 0.00 N ATOM 0 H ARG A 97 -9.650 -18.381 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 97 -10.807 -20.912 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -10.497 -20.814 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.774 -20.717 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.412 -22.954 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.875 -23.045 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.525 -22.756 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.036 -22.587 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.296 -24.901 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.017 -23.911 -6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.874 -25.568 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.112 -27.027 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.928 -27.325 -6.087 1.00 0.00 H new ATOM 1585 N GLY A 98 -8.810 -21.284 -2.010 1.00 0.00 N ATOM 1586 CA GLY A 98 -7.685 -21.418 -1.103 1.00 0.00 C ATOM 1587 C GLY A 98 -7.218 -22.853 -0.966 1.00 0.00 C ATOM 1588 O GLY A 98 -8.029 -23.779 -0.966 1.00 0.00 O ATOM 0 H GLY A 98 -9.615 -21.868 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.859 -20.803 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.966 -21.035 -0.122 1.00 0.00 H new ATOM 1592 N ALA A 99 -5.908 -23.039 -0.849 1.00 0.00 N ATOM 1593 CA ALA A 99 -5.334 -24.372 -0.710 1.00 0.00 C ATOM 1594 C ALA A 99 -5.093 -24.716 0.756 1.00 0.00 C ATOM 1595 O ALA A 99 -4.881 -23.831 1.584 1.00 0.00 O ATOM 1596 CB ALA A 99 -4.037 -24.474 -1.498 1.00 0.00 C ATOM 0 H ALA A 99 -5.223 -22.283 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.048 -25.091 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.620 -25.475 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.236 -24.281 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.324 -23.740 -1.123 1.00 0.00 H new ATOM 1602 N ALA A 100 -5.128 -26.007 1.070 1.00 0.00 N ATOM 1603 CA ALA A 100 -4.911 -26.467 2.436 1.00 0.00 C ATOM 1604 C ALA A 100 -3.816 -27.527 2.491 1.00 0.00 C ATOM 1605 O ALA A 100 -3.707 -28.367 1.598 1.00 0.00 O ATOM 1606 CB ALA A 100 -6.206 -27.012 3.020 1.00 0.00 C ATOM 0 H ALA A 100 -5.305 -26.753 0.397 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.585 -25.615 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.030 -27.352 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.962 -26.227 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.555 -27.848 2.414 1.00 0.00 H new TER 1612 ALA A 100