USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.721! USER MOD Single : A 13 HIS : no HD1:sc= -0.69 X(o=-0.69,f=-0.27) USER MOD Single : A 18 GLN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 25 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.36) USER MOD Single : A 28 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.0037) USER MOD Single : A 29 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 62:sc= 0.833 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 45 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.0961 USER MOD Single : A 47 GLN : amide:sc= -8.66! C(o=-8.7!,f=-10!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 46:sc= 0.251 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.556 -11.461 -16.726 1.00 0.00 N ATOM 2 CA GLY A 1 9.129 -10.493 -17.645 1.00 0.00 C ATOM 3 C GLY A 1 8.098 -9.431 -18.036 1.00 0.00 C ATOM 4 O GLY A 1 7.646 -9.391 -19.180 1.00 0.00 O ATOM 0 H1 GLY A 1 9.275 -12.170 -16.476 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.236 -10.974 -15.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.747 -11.933 -17.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.992 -10.014 -17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.488 -11.003 -18.539 1.00 0.00 H new ATOM 8 N SER A 2 7.757 -8.597 -17.064 1.00 0.00 N ATOM 9 CA SER A 2 6.787 -7.540 -17.292 1.00 0.00 C ATOM 10 C SER A 2 7.488 -6.179 -17.288 1.00 0.00 C ATOM 11 O SER A 2 7.774 -5.628 -16.225 1.00 0.00 O ATOM 12 CB SER A 2 5.680 -7.570 -16.238 1.00 0.00 C ATOM 13 OG SER A 2 4.858 -8.728 -16.361 1.00 0.00 O ATOM 0 H SER A 2 8.135 -8.632 -16.117 1.00 0.00 H new ATOM 0 HA SER A 2 6.326 -7.703 -18.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.125 -7.545 -15.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.064 -6.676 -16.334 1.00 0.00 H new ATOM 0 HG SER A 2 4.164 -8.712 -15.669 1.00 0.00 H new ATOM 18 N SER A 3 7.743 -5.676 -18.486 1.00 0.00 N ATOM 19 CA SER A 3 8.404 -4.391 -18.633 1.00 0.00 C ATOM 20 C SER A 3 7.394 -3.330 -19.075 1.00 0.00 C ATOM 21 O SER A 3 6.364 -3.656 -19.663 1.00 0.00 O ATOM 22 CB SER A 3 9.557 -4.476 -19.636 1.00 0.00 C ATOM 23 OG SER A 3 10.270 -3.246 -19.734 1.00 0.00 O ATOM 0 H SER A 3 7.504 -6.135 -19.365 1.00 0.00 H new ATOM 0 HA SER A 3 8.819 -4.108 -17.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.242 -5.269 -19.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.166 -4.747 -20.616 1.00 0.00 H new ATOM 0 HG SER A 3 10.999 -3.341 -20.382 1.00 0.00 H new ATOM 28 N GLY A 4 7.724 -2.083 -18.774 1.00 0.00 N ATOM 29 CA GLY A 4 6.858 -0.972 -19.134 1.00 0.00 C ATOM 30 C GLY A 4 7.601 0.361 -19.020 1.00 0.00 C ATOM 31 O GLY A 4 8.816 0.384 -18.829 1.00 0.00 O ATOM 0 H GLY A 4 8.579 -1.817 -18.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.495 -1.104 -20.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.984 -0.962 -18.483 1.00 0.00 H new ATOM 35 N SER A 5 6.839 1.438 -19.142 1.00 0.00 N ATOM 36 CA SER A 5 7.410 2.772 -19.056 1.00 0.00 C ATOM 37 C SER A 5 8.020 2.991 -17.670 1.00 0.00 C ATOM 38 O SER A 5 9.224 3.213 -17.546 1.00 0.00 O ATOM 39 CB SER A 5 6.356 3.841 -19.348 1.00 0.00 C ATOM 40 OG SER A 5 6.056 3.930 -20.738 1.00 0.00 O ATOM 0 H SER A 5 5.832 1.414 -19.300 1.00 0.00 H new ATOM 0 HA SER A 5 8.194 2.859 -19.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.445 3.613 -18.795 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.712 4.808 -18.991 1.00 0.00 H new ATOM 0 HG SER A 5 5.378 4.622 -20.883 1.00 0.00 H new ATOM 45 N SER A 6 7.162 2.923 -16.663 1.00 0.00 N ATOM 46 CA SER A 6 7.601 3.111 -15.292 1.00 0.00 C ATOM 47 C SER A 6 7.752 1.755 -14.599 1.00 0.00 C ATOM 48 O SER A 6 8.835 1.408 -14.134 1.00 0.00 O ATOM 49 CB SER A 6 6.624 3.997 -14.517 1.00 0.00 C ATOM 50 OG SER A 6 7.025 5.365 -14.519 1.00 0.00 O ATOM 0 H SER A 6 6.164 2.740 -16.770 1.00 0.00 H new ATOM 0 HA SER A 6 8.569 3.612 -15.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.630 3.910 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.551 3.642 -13.489 1.00 0.00 H new ATOM 0 HG SER A 6 6.374 5.897 -14.015 1.00 0.00 H new ATOM 55 N GLY A 7 6.647 1.025 -14.552 1.00 0.00 N ATOM 56 CA GLY A 7 6.642 -0.285 -13.924 1.00 0.00 C ATOM 57 C GLY A 7 5.809 -0.275 -12.641 1.00 0.00 C ATOM 58 O GLY A 7 4.728 0.311 -12.602 1.00 0.00 O ATOM 0 H GLY A 7 5.749 1.316 -14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.239 -1.023 -14.618 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.664 -0.587 -13.696 1.00 0.00 H new ATOM 62 N LYS A 8 6.344 -0.931 -11.621 1.00 0.00 N ATOM 63 CA LYS A 8 5.664 -1.004 -10.340 1.00 0.00 C ATOM 64 C LYS A 8 6.699 -1.172 -9.226 1.00 0.00 C ATOM 65 O LYS A 8 7.641 -1.953 -9.362 1.00 0.00 O ATOM 66 CB LYS A 8 4.600 -2.103 -10.360 1.00 0.00 C ATOM 67 CG LYS A 8 5.243 -3.490 -10.420 1.00 0.00 C ATOM 68 CD LYS A 8 4.217 -4.585 -10.125 1.00 0.00 C ATOM 69 CE LYS A 8 4.484 -5.830 -10.972 1.00 0.00 C ATOM 70 NZ LYS A 8 3.392 -6.815 -10.806 1.00 0.00 N ATOM 0 H LYS A 8 7.240 -1.416 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 8 5.128 -0.076 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.976 -2.026 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.946 -1.964 -11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.677 -3.651 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.059 -3.548 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.253 -4.846 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.213 -4.212 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.573 -5.550 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.434 -6.279 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.590 -7.654 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.326 -7.095 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.492 -6.389 -11.107 1.00 0.00 H new ATOM 79 N VAL A 9 6.491 -0.428 -8.150 1.00 0.00 N ATOM 80 CA VAL A 9 7.395 -0.486 -7.013 1.00 0.00 C ATOM 81 C VAL A 9 7.450 -1.919 -6.482 1.00 0.00 C ATOM 82 O VAL A 9 6.413 -2.541 -6.259 1.00 0.00 O ATOM 83 CB VAL A 9 6.967 0.530 -5.952 1.00 0.00 C ATOM 84 CG1 VAL A 9 7.328 1.955 -6.380 1.00 0.00 C ATOM 85 CG2 VAL A 9 5.472 0.410 -5.652 1.00 0.00 C ATOM 0 H VAL A 9 5.710 0.219 -8.041 1.00 0.00 H new ATOM 0 HA VAL A 9 8.406 -0.214 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 9 7.512 0.308 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.013 2.657 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.406 2.030 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.822 2.193 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.193 1.143 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.902 0.594 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.254 -0.593 -5.284 1.00 0.00 H new ATOM 95 N LYS A 10 8.669 -2.401 -6.294 1.00 0.00 N ATOM 96 CA LYS A 10 8.872 -3.750 -5.793 1.00 0.00 C ATOM 97 C LYS A 10 8.280 -3.861 -4.387 1.00 0.00 C ATOM 98 O LYS A 10 8.689 -3.141 -3.478 1.00 0.00 O ATOM 99 CB LYS A 10 10.352 -4.133 -5.869 1.00 0.00 C ATOM 100 CG LYS A 10 10.522 -5.561 -6.388 1.00 0.00 C ATOM 101 CD LYS A 10 11.863 -5.727 -7.107 1.00 0.00 C ATOM 102 CE LYS A 10 12.940 -6.236 -6.148 1.00 0.00 C ATOM 103 NZ LYS A 10 13.863 -5.140 -5.778 1.00 0.00 N ATOM 0 H LYS A 10 9.527 -1.882 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 10 8.347 -4.472 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.878 -3.439 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.805 -4.045 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.462 -6.264 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 10 9.707 -5.803 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.751 -6.425 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.172 -4.772 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.474 -6.645 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.498 -7.047 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.588 -5.502 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.321 -4.768 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.329 -4.378 -5.313 1.00 0.00 H new ATOM 112 N TRP A 11 7.323 -4.769 -4.253 1.00 0.00 N ATOM 113 CA TRP A 11 6.670 -4.984 -2.973 1.00 0.00 C ATOM 114 C TRP A 11 6.623 -6.491 -2.713 1.00 0.00 C ATOM 115 O TRP A 11 6.017 -7.238 -3.480 1.00 0.00 O ATOM 116 CB TRP A 11 5.287 -4.330 -2.947 1.00 0.00 C ATOM 117 CG TRP A 11 5.305 -2.853 -2.547 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.945 -1.842 -3.150 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.622 -2.259 -1.423 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.726 -0.645 -2.501 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.896 -0.906 -1.416 1.00 0.00 C ATOM 122 CE3 TRP A 11 3.801 -2.844 -0.443 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.388 -0.025 -0.454 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.300 -1.950 0.511 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.567 -0.587 0.532 1.00 0.00 C ATOM 0 H TRP A 11 6.985 -5.364 -5.010 1.00 0.00 H new ATOM 0 HA TRP A 11 7.232 -4.509 -2.169 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.834 -4.423 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.651 -4.877 -2.251 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.556 -1.951 -4.034 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.103 0.264 -2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.575 -3.900 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.617 1.030 -0.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.661 -2.348 1.285 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.143 0.037 1.305 1.00 0.00 H new ATOM 135 N THR A 12 7.272 -6.892 -1.630 1.00 0.00 N ATOM 136 CA THR A 12 7.312 -8.297 -1.260 1.00 0.00 C ATOM 137 C THR A 12 6.101 -8.655 -0.396 1.00 0.00 C ATOM 138 O THR A 12 5.333 -7.779 -0.001 1.00 0.00 O ATOM 139 CB THR A 12 8.651 -8.566 -0.570 1.00 0.00 C ATOM 140 OG1 THR A 12 8.452 -9.805 0.105 1.00 0.00 O ATOM 141 CG2 THR A 12 8.941 -7.571 0.556 1.00 0.00 C ATOM 0 H THR A 12 7.774 -6.269 -0.997 1.00 0.00 H new ATOM 0 HA THR A 12 7.247 -8.940 -2.138 1.00 0.00 H new ATOM 0 HB THR A 12 9.453 -8.524 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.273 -10.055 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.903 -7.807 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.971 -6.560 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.157 -7.636 1.310 1.00 0.00 H new ATOM 149 N HIS A 13 5.967 -9.945 -0.126 1.00 0.00 N ATOM 150 CA HIS A 13 4.863 -10.431 0.684 1.00 0.00 C ATOM 151 C HIS A 13 4.863 -9.713 2.034 1.00 0.00 C ATOM 152 O HIS A 13 3.852 -9.700 2.735 1.00 0.00 O ATOM 153 CB HIS A 13 4.919 -11.954 0.823 1.00 0.00 C ATOM 154 CG HIS A 13 3.609 -12.645 0.531 1.00 0.00 C ATOM 155 ND1 HIS A 13 3.479 -14.023 0.500 1.00 0.00 N ATOM 156 CD2 HIS A 13 2.374 -12.136 0.260 1.00 0.00 C ATOM 157 CE1 HIS A 13 2.218 -14.318 0.220 1.00 0.00 C ATOM 158 NE2 HIS A 13 1.535 -13.147 0.070 1.00 0.00 N ATOM 0 H HIS A 13 6.606 -10.669 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 13 3.918 -10.204 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.681 -12.343 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.233 -12.205 1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.121 -11.087 0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.804 -15.311 0.127 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.543 -13.062 -0.152 1.00 0.00 H new ATOM 165 N GLU A 14 6.008 -9.130 2.359 1.00 0.00 N ATOM 166 CA GLU A 14 6.152 -8.411 3.613 1.00 0.00 C ATOM 167 C GLU A 14 5.412 -7.073 3.547 1.00 0.00 C ATOM 168 O GLU A 14 4.402 -6.885 4.224 1.00 0.00 O ATOM 169 CB GLU A 14 7.628 -8.203 3.959 1.00 0.00 C ATOM 170 CG GLU A 14 8.188 -9.409 4.716 1.00 0.00 C ATOM 171 CD GLU A 14 8.967 -8.965 5.957 1.00 0.00 C ATOM 172 OE1 GLU A 14 9.567 -7.880 5.957 1.00 0.00 O ATOM 173 OE2 GLU A 14 8.933 -9.792 6.947 1.00 0.00 O ATOM 0 H GLU A 14 6.844 -9.141 1.775 1.00 0.00 H new ATOM 0 HA GLU A 14 5.707 -9.012 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.201 -8.045 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.740 -7.304 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.372 -10.068 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.841 -9.984 4.059 1.00 0.00 H new ATOM 179 N GLU A 15 5.942 -6.179 2.725 1.00 0.00 N ATOM 180 CA GLU A 15 5.345 -4.866 2.561 1.00 0.00 C ATOM 181 C GLU A 15 3.834 -4.993 2.345 1.00 0.00 C ATOM 182 O GLU A 15 3.085 -4.055 2.612 1.00 0.00 O ATOM 183 CB GLU A 15 6.001 -4.104 1.408 1.00 0.00 C ATOM 184 CG GLU A 15 7.456 -3.762 1.735 1.00 0.00 C ATOM 185 CD GLU A 15 7.831 -2.383 1.188 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.107 -1.405 1.424 1.00 0.00 O ATOM 187 OE2 GLU A 15 8.919 -2.348 0.497 1.00 0.00 O ATOM 0 H GLU A 15 6.779 -6.339 2.165 1.00 0.00 H new ATOM 0 HA GLU A 15 5.516 -4.295 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.960 -4.706 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.444 -3.188 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.604 -3.782 2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.116 -4.518 1.309 1.00 0.00 H new ATOM 193 N ASP A 16 3.434 -6.161 1.865 1.00 0.00 N ATOM 194 CA ASP A 16 2.028 -6.422 1.610 1.00 0.00 C ATOM 195 C ASP A 16 1.299 -6.607 2.942 1.00 0.00 C ATOM 196 O ASP A 16 0.313 -5.924 3.214 1.00 0.00 O ATOM 197 CB ASP A 16 1.845 -7.701 0.790 1.00 0.00 C ATOM 198 CG ASP A 16 0.473 -8.364 0.923 1.00 0.00 C ATOM 199 OD1 ASP A 16 -0.497 -7.740 1.378 1.00 0.00 O ATOM 200 OD2 ASP A 16 0.420 -9.593 0.532 1.00 0.00 O ATOM 0 H ASP A 16 4.059 -6.937 1.646 1.00 0.00 H new ATOM 0 HA ASP A 16 1.623 -5.576 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.019 -7.469 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.609 -8.419 1.089 1.00 0.00 H new ATOM 205 N GLU A 17 1.812 -7.533 3.739 1.00 0.00 N ATOM 206 CA GLU A 17 1.221 -7.816 5.036 1.00 0.00 C ATOM 207 C GLU A 17 1.276 -6.573 5.926 1.00 0.00 C ATOM 208 O GLU A 17 0.434 -6.397 6.805 1.00 0.00 O ATOM 209 CB GLU A 17 1.916 -9.002 5.707 1.00 0.00 C ATOM 210 CG GLU A 17 3.314 -8.616 6.193 1.00 0.00 C ATOM 211 CD GLU A 17 3.760 -9.514 7.350 1.00 0.00 C ATOM 212 OE1 GLU A 17 3.039 -9.639 8.350 1.00 0.00 O ATOM 213 OE2 GLU A 17 4.900 -10.094 7.182 1.00 0.00 O ATOM 0 H GLU A 17 2.631 -8.097 3.511 1.00 0.00 H new ATOM 0 HA GLU A 17 0.176 -8.086 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.318 -9.350 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.988 -9.831 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.024 -8.697 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.316 -7.574 6.514 1.00 0.00 H new ATOM 219 N GLN A 18 2.277 -5.743 5.668 1.00 0.00 N ATOM 220 CA GLN A 18 2.453 -4.522 6.435 1.00 0.00 C ATOM 221 C GLN A 18 1.301 -3.552 6.161 1.00 0.00 C ATOM 222 O GLN A 18 0.451 -3.333 7.022 1.00 0.00 O ATOM 223 CB GLN A 18 3.802 -3.871 6.128 1.00 0.00 C ATOM 224 CG GLN A 18 4.874 -4.338 7.116 1.00 0.00 C ATOM 225 CD GLN A 18 6.076 -4.934 6.380 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.316 -6.130 6.396 1.00 0.00 O ATOM 227 NE2 GLN A 18 6.815 -4.036 5.735 1.00 0.00 N ATOM 0 H GLN A 18 2.974 -5.893 4.939 1.00 0.00 H new ATOM 0 HA GLN A 18 2.443 -4.778 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.107 -4.119 5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.706 -2.786 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.199 -3.498 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.452 -5.082 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.558 -3.049 5.763 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.639 -4.334 5.213 1.00 0.00 H new ATOM 234 N LEU A 19 1.312 -2.997 4.958 1.00 0.00 N ATOM 235 CA LEU A 19 0.279 -2.056 4.559 1.00 0.00 C ATOM 236 C LEU A 19 -1.095 -2.644 4.885 1.00 0.00 C ATOM 237 O LEU A 19 -1.930 -1.980 5.496 1.00 0.00 O ATOM 238 CB LEU A 19 0.448 -1.665 3.089 1.00 0.00 C ATOM 239 CG LEU A 19 -0.453 -0.536 2.587 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.367 0.684 3.507 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.132 -0.182 1.134 1.00 0.00 C ATOM 0 H LEU A 19 2.020 -3.181 4.247 1.00 0.00 H new ATOM 0 HA LEU A 19 0.371 -1.128 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.486 -1.373 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.266 -2.548 2.476 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.485 -0.886 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.017 1.472 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.684 0.405 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.661 1.045 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.787 0.623 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.906 0.141 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.286 -1.058 0.504 1.00 0.00 H new ATOM 252 N ARG A 20 -1.287 -3.885 4.461 1.00 0.00 N ATOM 253 CA ARG A 20 -2.545 -4.571 4.700 1.00 0.00 C ATOM 254 C ARG A 20 -2.976 -4.397 6.158 1.00 0.00 C ATOM 255 O ARG A 20 -4.114 -4.018 6.431 1.00 0.00 O ATOM 256 CB ARG A 20 -2.427 -6.064 4.386 1.00 0.00 C ATOM 257 CG ARG A 20 -2.703 -6.336 2.905 1.00 0.00 C ATOM 258 CD ARG A 20 -3.290 -7.735 2.705 1.00 0.00 C ATOM 259 NE ARG A 20 -4.676 -7.634 2.197 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.383 -8.678 1.715 1.00 0.00 C ATOM 261 NH1 ARG A 20 -4.839 -9.913 1.671 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.615 -8.473 1.287 1.00 0.00 N ATOM 0 H ARG A 20 -0.592 -4.433 3.953 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.293 -4.130 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.428 -6.416 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.131 -6.625 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.395 -5.588 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.778 -6.241 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.676 -8.299 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.278 -8.282 3.648 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.125 -6.718 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.886 -10.063 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.381 -10.696 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.018 -7.537 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.163 -9.251 0.920 1.00 0.00 H new ATOM 272 N ALA A 21 -2.045 -4.683 7.055 1.00 0.00 N ATOM 273 CA ALA A 21 -2.314 -4.562 8.478 1.00 0.00 C ATOM 274 C ALA A 21 -2.373 -3.081 8.858 1.00 0.00 C ATOM 275 O ALA A 21 -3.360 -2.623 9.433 1.00 0.00 O ATOM 276 CB ALA A 21 -1.247 -5.324 9.267 1.00 0.00 C ATOM 0 H ALA A 21 -1.103 -4.998 6.824 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.279 -5.004 8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.449 -5.233 10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.266 -6.376 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.264 -4.907 9.047 1.00 0.00 H new ATOM 282 N LEU A 22 -1.306 -2.374 8.521 1.00 0.00 N ATOM 283 CA LEU A 22 -1.223 -0.954 8.819 1.00 0.00 C ATOM 284 C LEU A 22 -2.555 -0.286 8.470 1.00 0.00 C ATOM 285 O LEU A 22 -2.916 0.732 9.059 1.00 0.00 O ATOM 286 CB LEU A 22 -0.018 -0.327 8.115 1.00 0.00 C ATOM 287 CG LEU A 22 1.355 -0.689 8.687 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.473 -0.005 7.898 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.428 -0.369 10.181 1.00 0.00 C ATOM 0 H LEU A 22 -0.490 -2.758 8.044 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.056 -0.798 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.042 -0.621 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.128 0.757 8.145 1.00 0.00 H new ATOM 0 HG LEU A 22 1.498 -1.765 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.438 -0.278 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.432 -0.325 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.346 1.076 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.414 -0.636 10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.256 0.696 10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.667 -0.939 10.713 1.00 0.00 H new ATOM 300 N VAL A 23 -3.249 -0.886 7.514 1.00 0.00 N ATOM 301 CA VAL A 23 -4.533 -0.363 7.079 1.00 0.00 C ATOM 302 C VAL A 23 -5.583 -0.639 8.158 1.00 0.00 C ATOM 303 O VAL A 23 -6.184 0.289 8.696 1.00 0.00 O ATOM 304 CB VAL A 23 -4.905 -0.952 5.717 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.378 -0.697 5.394 1.00 0.00 C ATOM 306 CG2 VAL A 23 -3.998 -0.401 4.616 1.00 0.00 C ATOM 0 H VAL A 23 -2.946 -1.730 7.028 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.480 0.718 6.946 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.755 -2.031 5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.617 -1.126 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.003 -1.160 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.565 0.377 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.283 -0.836 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.101 0.683 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.962 -0.657 4.836 1.00 0.00 H new ATOM 316 N ARG A 24 -5.771 -1.919 8.440 1.00 0.00 N ATOM 317 CA ARG A 24 -6.738 -2.330 9.444 1.00 0.00 C ATOM 318 C ARG A 24 -6.340 -1.786 10.818 1.00 0.00 C ATOM 319 O ARG A 24 -7.201 -1.461 11.634 1.00 0.00 O ATOM 320 CB ARG A 24 -6.843 -3.854 9.517 1.00 0.00 C ATOM 321 CG ARG A 24 -5.766 -4.435 10.436 1.00 0.00 C ATOM 322 CD ARG A 24 -5.848 -5.962 10.480 1.00 0.00 C ATOM 323 NE ARG A 24 -6.912 -6.385 11.416 1.00 0.00 N ATOM 324 CZ ARG A 24 -8.205 -6.554 11.066 1.00 0.00 C ATOM 325 NH1 ARG A 24 -8.605 -6.339 9.794 1.00 0.00 N ATOM 326 NH2 ARG A 24 -9.073 -6.934 11.985 1.00 0.00 N ATOM 0 H ARG A 24 -5.270 -2.686 7.991 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.708 -1.925 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.830 -4.137 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.740 -4.277 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.780 -4.130 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.885 -4.032 11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.053 -6.352 9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.890 -6.377 10.794 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.653 -6.560 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.928 -6.047 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.584 -6.469 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.763 -7.095 12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.053 -7.066 11.737 1.00 0.00 H new ATOM 336 N GLN A 25 -5.034 -1.705 11.031 1.00 0.00 N ATOM 337 CA GLN A 25 -4.511 -1.207 12.292 1.00 0.00 C ATOM 338 C GLN A 25 -5.287 0.035 12.735 1.00 0.00 C ATOM 339 O GLN A 25 -5.975 0.011 13.754 1.00 0.00 O ATOM 340 CB GLN A 25 -3.014 -0.910 12.186 1.00 0.00 C ATOM 341 CG GLN A 25 -2.240 -1.581 13.322 1.00 0.00 C ATOM 342 CD GLN A 25 -1.834 -3.006 12.942 1.00 0.00 C ATOM 343 OE1 GLN A 25 -2.660 -3.865 12.682 1.00 0.00 O ATOM 344 NE2 GLN A 25 -0.520 -3.208 12.926 1.00 0.00 N ATOM 0 H GLN A 25 -4.323 -1.976 10.352 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.641 -1.981 13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.637 -1.263 11.226 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.850 0.167 12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.351 -0.996 13.556 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.854 -1.602 14.222 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.116 -2.444 13.154 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.148 -4.127 12.685 1.00 0.00 H new ATOM 351 N PHE A 26 -5.150 1.091 11.946 1.00 0.00 N ATOM 352 CA PHE A 26 -5.829 2.341 12.244 1.00 0.00 C ATOM 353 C PHE A 26 -6.896 2.650 11.191 1.00 0.00 C ATOM 354 O PHE A 26 -8.036 2.960 11.530 1.00 0.00 O ATOM 355 CB PHE A 26 -4.769 3.443 12.218 1.00 0.00 C ATOM 356 CG PHE A 26 -3.504 3.108 13.009 1.00 0.00 C ATOM 357 CD1 PHE A 26 -3.420 3.433 14.327 1.00 0.00 C ATOM 358 CD2 PHE A 26 -2.462 2.485 12.395 1.00 0.00 C ATOM 359 CE1 PHE A 26 -2.244 3.122 15.062 1.00 0.00 C ATOM 360 CE2 PHE A 26 -1.287 2.174 13.129 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.203 2.499 14.447 1.00 0.00 C ATOM 0 H PHE A 26 -4.579 1.107 11.101 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.323 2.274 13.214 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.495 3.645 11.183 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.203 4.360 12.617 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.247 3.927 14.815 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.529 2.227 11.348 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.177 3.380 16.109 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.460 1.680 12.641 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.309 2.262 15.005 1.00 0.00 H new ATOM 370 N GLY A 27 -6.485 2.554 9.935 1.00 0.00 N ATOM 371 CA GLY A 27 -7.391 2.820 8.829 1.00 0.00 C ATOM 372 C GLY A 27 -6.629 3.340 7.609 1.00 0.00 C ATOM 373 O GLY A 27 -5.820 4.259 7.722 1.00 0.00 O ATOM 0 H GLY A 27 -5.538 2.296 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.927 1.908 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.138 3.552 9.135 1.00 0.00 H new ATOM 377 N GLN A 28 -6.914 2.727 6.469 1.00 0.00 N ATOM 378 CA GLN A 28 -6.265 3.116 5.228 1.00 0.00 C ATOM 379 C GLN A 28 -6.514 4.598 4.941 1.00 0.00 C ATOM 380 O GLN A 28 -5.713 5.247 4.269 1.00 0.00 O ATOM 381 CB GLN A 28 -6.741 2.245 4.063 1.00 0.00 C ATOM 382 CG GLN A 28 -8.249 1.997 4.145 1.00 0.00 C ATOM 383 CD GLN A 28 -8.865 1.901 2.749 1.00 0.00 C ATOM 384 OE1 GLN A 28 -9.319 2.877 2.173 1.00 0.00 O ATOM 385 NE2 GLN A 28 -8.856 0.673 2.237 1.00 0.00 N ATOM 0 H GLN A 28 -7.585 1.964 6.379 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.192 2.962 5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.500 2.732 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.211 1.293 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.440 1.076 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.724 2.805 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.460 -0.100 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.245 0.504 1.309 1.00 0.00 H new ATOM 392 N GLN A 29 -7.626 5.091 5.466 1.00 0.00 N ATOM 393 CA GLN A 29 -7.990 6.485 5.274 1.00 0.00 C ATOM 394 C GLN A 29 -6.747 7.373 5.349 1.00 0.00 C ATOM 395 O GLN A 29 -6.460 8.125 4.418 1.00 0.00 O ATOM 396 CB GLN A 29 -9.040 6.923 6.298 1.00 0.00 C ATOM 397 CG GLN A 29 -10.454 6.742 5.746 1.00 0.00 C ATOM 398 CD GLN A 29 -10.785 7.829 4.720 1.00 0.00 C ATOM 399 OE1 GLN A 29 -10.807 9.011 5.016 1.00 0.00 O ATOM 400 NE2 GLN A 29 -11.042 7.362 3.501 1.00 0.00 N ATOM 0 H GLN A 29 -8.287 4.550 6.024 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.430 6.593 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.926 6.341 7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.880 7.968 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.544 5.760 5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.175 6.776 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.006 6.359 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.275 8.007 2.746 1.00 0.00 H new ATOM 407 N ASP A 30 -6.041 7.257 6.463 1.00 0.00 N ATOM 408 CA ASP A 30 -4.835 8.040 6.671 1.00 0.00 C ATOM 409 C ASP A 30 -3.649 7.322 6.025 1.00 0.00 C ATOM 410 O ASP A 30 -2.915 6.600 6.698 1.00 0.00 O ATOM 411 CB ASP A 30 -4.534 8.203 8.163 1.00 0.00 C ATOM 412 CG ASP A 30 -5.651 8.857 8.980 1.00 0.00 C ATOM 413 OD1 ASP A 30 -6.330 9.782 8.509 1.00 0.00 O ATOM 414 OD2 ASP A 30 -5.813 8.375 10.165 1.00 0.00 O ATOM 0 H ASP A 30 -6.281 6.632 7.232 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.990 9.023 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.323 7.221 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.628 8.798 8.273 1.00 0.00 H new ATOM 419 N TRP A 31 -3.497 7.546 4.728 1.00 0.00 N ATOM 420 CA TRP A 31 -2.413 6.929 3.984 1.00 0.00 C ATOM 421 C TRP A 31 -1.126 7.692 4.305 1.00 0.00 C ATOM 422 O TRP A 31 -0.094 7.084 4.585 1.00 0.00 O ATOM 423 CB TRP A 31 -2.727 6.892 2.487 1.00 0.00 C ATOM 424 CG TRP A 31 -3.821 5.892 2.106 1.00 0.00 C ATOM 425 CD1 TRP A 31 -5.126 6.130 1.916 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.650 4.477 1.875 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.806 4.977 1.580 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.880 3.940 1.554 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.494 3.679 1.934 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -5.073 2.584 1.268 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.704 2.325 1.645 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.936 1.769 1.321 1.00 0.00 C ATOM 0 H TRP A 31 -4.107 8.147 4.173 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.285 5.888 4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.031 7.888 2.165 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.817 6.645 1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.587 7.102 2.014 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.804 4.900 1.386 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.522 4.078 2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.046 2.188 1.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.849 1.666 1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.016 0.713 1.111 1.00 0.00 H new ATOM 442 N LYS A 32 -1.229 9.012 4.256 1.00 0.00 N ATOM 443 CA LYS A 32 -0.086 9.863 4.538 1.00 0.00 C ATOM 444 C LYS A 32 0.711 9.270 5.701 1.00 0.00 C ATOM 445 O LYS A 32 1.937 9.189 5.641 1.00 0.00 O ATOM 446 CB LYS A 32 -0.538 11.305 4.774 1.00 0.00 C ATOM 447 CG LYS A 32 -0.729 12.045 3.448 1.00 0.00 C ATOM 448 CD LYS A 32 -0.178 13.470 3.532 1.00 0.00 C ATOM 449 CE LYS A 32 -0.963 14.414 2.618 1.00 0.00 C ATOM 450 NZ LYS A 32 -1.413 15.607 3.371 1.00 0.00 N ATOM 0 H LYS A 32 -2.087 9.513 4.025 1.00 0.00 H new ATOM 0 HA LYS A 32 0.583 9.900 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.473 11.310 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.201 11.826 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.224 11.503 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.788 12.075 3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.232 13.825 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.874 13.475 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.339 14.720 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.825 13.893 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.944 16.238 2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.026 15.310 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.586 16.112 3.748 1.00 0.00 H new ATOM 459 N PHE A 33 -0.018 8.871 6.733 1.00 0.00 N ATOM 460 CA PHE A 33 0.606 8.286 7.909 1.00 0.00 C ATOM 461 C PHE A 33 1.162 6.896 7.600 1.00 0.00 C ATOM 462 O PHE A 33 2.343 6.631 7.823 1.00 0.00 O ATOM 463 CB PHE A 33 -0.481 8.163 8.977 1.00 0.00 C ATOM 464 CG PHE A 33 -0.072 7.321 10.187 1.00 0.00 C ATOM 465 CD1 PHE A 33 1.155 7.491 10.750 1.00 0.00 C ATOM 466 CD2 PHE A 33 -0.934 6.404 10.700 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.535 6.709 11.873 1.00 0.00 C ATOM 468 CE2 PHE A 33 -0.554 5.621 11.824 1.00 0.00 C ATOM 469 CZ PHE A 33 0.672 5.791 12.386 1.00 0.00 C ATOM 0 H PHE A 33 -1.035 8.941 6.780 1.00 0.00 H new ATOM 0 HA PHE A 33 1.434 8.912 8.242 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.756 9.161 9.318 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.371 7.724 8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.840 8.220 10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.908 6.270 10.253 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.509 6.843 12.320 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.239 4.892 12.231 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.961 5.197 13.240 1.00 0.00 H new ATOM 478 N LEU A 34 0.285 6.042 7.092 1.00 0.00 N ATOM 479 CA LEU A 34 0.674 4.683 6.752 1.00 0.00 C ATOM 480 C LEU A 34 2.011 4.712 6.006 1.00 0.00 C ATOM 481 O LEU A 34 2.902 3.915 6.292 1.00 0.00 O ATOM 482 CB LEU A 34 -0.446 3.983 5.979 1.00 0.00 C ATOM 483 CG LEU A 34 -1.745 3.745 6.752 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.889 3.385 5.802 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.550 2.688 7.840 1.00 0.00 C ATOM 0 H LEU A 34 -0.693 6.264 6.908 1.00 0.00 H new ATOM 0 HA LEU A 34 0.824 4.092 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.676 4.577 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.073 3.021 5.629 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.021 4.674 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.801 3.221 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.046 4.201 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.636 2.476 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.488 2.538 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.239 1.749 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.784 3.023 8.539 1.00 0.00 H new ATOM 496 N ALA A 35 2.107 5.639 5.064 1.00 0.00 N ATOM 497 CA ALA A 35 3.317 5.781 4.275 1.00 0.00 C ATOM 498 C ALA A 35 4.486 6.127 5.201 1.00 0.00 C ATOM 499 O ALA A 35 5.595 5.626 5.021 1.00 0.00 O ATOM 500 CB ALA A 35 3.100 6.839 3.191 1.00 0.00 C ATOM 0 H ALA A 35 1.365 6.299 4.830 1.00 0.00 H new ATOM 0 HA ALA A 35 3.559 4.845 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.009 6.945 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.279 6.533 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.858 7.794 3.658 1.00 0.00 H new ATOM 506 N SER A 36 4.197 6.981 6.172 1.00 0.00 N ATOM 507 CA SER A 36 5.209 7.400 7.126 1.00 0.00 C ATOM 508 C SER A 36 5.793 6.179 7.840 1.00 0.00 C ATOM 509 O SER A 36 6.982 6.151 8.158 1.00 0.00 O ATOM 510 CB SER A 36 4.632 8.384 8.146 1.00 0.00 C ATOM 511 OG SER A 36 4.037 9.516 7.518 1.00 0.00 O ATOM 0 H SER A 36 3.276 7.394 6.318 1.00 0.00 H new ATOM 0 HA SER A 36 6.003 7.909 6.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.887 7.876 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.424 8.716 8.817 1.00 0.00 H new ATOM 0 HG SER A 36 3.293 9.222 6.952 1.00 0.00 H new ATOM 516 N HIS A 37 4.932 5.199 8.069 1.00 0.00 N ATOM 517 CA HIS A 37 5.348 3.978 8.738 1.00 0.00 C ATOM 518 C HIS A 37 6.488 3.325 7.953 1.00 0.00 C ATOM 519 O HIS A 37 7.408 2.759 8.543 1.00 0.00 O ATOM 520 CB HIS A 37 4.158 3.039 8.945 1.00 0.00 C ATOM 521 CG HIS A 37 3.884 2.704 10.391 1.00 0.00 C ATOM 522 ND1 HIS A 37 4.608 1.752 11.090 1.00 0.00 N ATOM 523 CD2 HIS A 37 2.961 3.202 11.263 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.132 1.689 12.325 1.00 0.00 C ATOM 525 NE2 HIS A 37 3.112 2.589 12.431 1.00 0.00 N ATOM 0 H HIS A 37 3.948 5.225 7.803 1.00 0.00 H new ATOM 0 HA HIS A 37 5.727 4.215 9.732 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.268 3.497 8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.338 2.114 8.396 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.231 3.966 11.041 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.489 1.039 13.110 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.557 2.762 13.269 1.00 0.00 H new ATOM 532 N PHE A 38 6.390 3.426 6.636 1.00 0.00 N ATOM 533 CA PHE A 38 7.402 2.852 5.765 1.00 0.00 C ATOM 534 C PHE A 38 8.572 3.820 5.573 1.00 0.00 C ATOM 535 O PHE A 38 8.452 5.010 5.858 1.00 0.00 O ATOM 536 CB PHE A 38 6.736 2.602 4.411 1.00 0.00 C ATOM 537 CG PHE A 38 5.831 1.368 4.381 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.377 0.125 4.312 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.479 1.516 4.424 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.538 -1.020 4.286 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.639 0.371 4.396 1.00 0.00 C ATOM 542 CZ PHE A 38 4.186 -0.873 4.328 1.00 0.00 C ATOM 0 H PHE A 38 5.626 3.896 6.151 1.00 0.00 H new ATOM 0 HA PHE A 38 7.793 1.933 6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.147 3.478 4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.510 2.491 3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.450 0.008 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.045 2.503 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.973 -2.007 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.566 0.488 4.429 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.547 -1.744 4.307 1.00 0.00 H new ATOM 551 N PRO A 39 9.706 3.257 5.079 1.00 0.00 N ATOM 552 CA PRO A 39 10.898 4.056 4.844 1.00 0.00 C ATOM 553 C PRO A 39 10.740 4.922 3.593 1.00 0.00 C ATOM 554 O PRO A 39 10.268 6.055 3.673 1.00 0.00 O ATOM 555 CB PRO A 39 12.031 3.050 4.732 1.00 0.00 C ATOM 556 CG PRO A 39 11.372 1.710 4.441 1.00 0.00 C ATOM 557 CD PRO A 39 9.886 1.850 4.729 1.00 0.00 C ATOM 0 HA PRO A 39 11.093 4.766 5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.722 3.327 3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.609 3.009 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.534 1.422 3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.809 0.927 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.287 1.579 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.578 1.197 5.545 1.00 0.00 H new ATOM 562 N ASN A 40 11.145 4.355 2.466 1.00 0.00 N ATOM 563 CA ASN A 40 11.056 5.062 1.199 1.00 0.00 C ATOM 564 C ASN A 40 9.712 4.748 0.539 1.00 0.00 C ATOM 565 O ASN A 40 9.652 3.993 -0.428 1.00 0.00 O ATOM 566 CB ASN A 40 12.166 4.622 0.243 1.00 0.00 C ATOM 567 CG ASN A 40 12.534 5.748 -0.725 1.00 0.00 C ATOM 568 OD1 ASN A 40 13.605 6.330 -0.662 1.00 0.00 O ATOM 569 ND2 ASN A 40 11.590 6.022 -1.621 1.00 0.00 N ATOM 0 H ASN A 40 11.535 3.415 2.404 1.00 0.00 H new ATOM 0 HA ASN A 40 11.156 6.129 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.046 4.326 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.841 3.746 -0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.740 6.758 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.716 5.496 -1.618 1.00 0.00 H new ATOM 575 N ARG A 41 8.664 5.345 1.091 1.00 0.00 N ATOM 576 CA ARG A 41 7.325 5.139 0.569 1.00 0.00 C ATOM 577 C ARG A 41 6.452 6.364 0.845 1.00 0.00 C ATOM 578 O ARG A 41 6.729 7.133 1.765 1.00 0.00 O ATOM 579 CB ARG A 41 6.672 3.906 1.197 1.00 0.00 C ATOM 580 CG ARG A 41 7.222 2.618 0.580 1.00 0.00 C ATOM 581 CD ARG A 41 6.785 2.480 -0.880 1.00 0.00 C ATOM 582 NE ARG A 41 7.899 2.850 -1.781 1.00 0.00 N ATOM 583 CZ ARG A 41 8.895 2.011 -2.136 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.924 0.745 -1.668 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.841 2.447 -2.947 1.00 0.00 N ATOM 0 H ARG A 41 8.717 5.971 1.894 1.00 0.00 H new ATOM 0 HA ARG A 41 7.410 4.984 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.851 3.903 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.592 3.950 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.310 2.618 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.872 1.758 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.471 1.455 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.924 3.120 -1.072 1.00 0.00 H new ATOM 0 HE ARG A 41 7.915 3.798 -2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.190 0.416 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.680 0.117 -1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.812 3.405 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.601 1.826 -3.225 1.00 0.00 H new ATOM 595 N THR A 42 5.416 6.510 0.031 1.00 0.00 N ATOM 596 CA THR A 42 4.502 7.630 0.177 1.00 0.00 C ATOM 597 C THR A 42 3.055 7.161 0.013 1.00 0.00 C ATOM 598 O THR A 42 2.795 6.148 -0.634 1.00 0.00 O ATOM 599 CB THR A 42 4.910 8.707 -0.831 1.00 0.00 C ATOM 600 OG1 THR A 42 4.113 9.834 -0.477 1.00 0.00 O ATOM 601 CG2 THR A 42 4.467 8.372 -2.257 1.00 0.00 C ATOM 0 H THR A 42 5.190 5.871 -0.731 1.00 0.00 H new ATOM 0 HA THR A 42 4.560 8.061 1.176 1.00 0.00 H new ATOM 0 HB THR A 42 5.992 8.835 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.315 10.580 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.781 9.168 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.922 7.432 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.382 8.277 -2.288 1.00 0.00 H new ATOM 609 N ASP A 43 2.150 7.922 0.612 1.00 0.00 N ATOM 610 CA ASP A 43 0.735 7.597 0.540 1.00 0.00 C ATOM 611 C ASP A 43 0.392 7.137 -0.878 1.00 0.00 C ATOM 612 O ASP A 43 -0.342 6.167 -1.059 1.00 0.00 O ATOM 613 CB ASP A 43 -0.127 8.819 0.862 1.00 0.00 C ATOM 614 CG ASP A 43 0.214 10.079 0.065 1.00 0.00 C ATOM 615 OD1 ASP A 43 -0.353 10.328 -1.010 1.00 0.00 O ATOM 616 OD2 ASP A 43 1.116 10.833 0.596 1.00 0.00 O ATOM 0 H ASP A 43 2.369 8.761 1.149 1.00 0.00 H new ATOM 0 HA ASP A 43 0.533 6.810 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.172 8.565 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.031 9.042 1.925 1.00 0.00 H new ATOM 621 N GLN A 44 0.940 7.854 -1.848 1.00 0.00 N ATOM 622 CA GLN A 44 0.702 7.532 -3.244 1.00 0.00 C ATOM 623 C GLN A 44 1.103 6.083 -3.530 1.00 0.00 C ATOM 624 O GLN A 44 0.297 5.300 -4.030 1.00 0.00 O ATOM 625 CB GLN A 44 1.447 8.499 -4.165 1.00 0.00 C ATOM 626 CG GLN A 44 0.540 8.989 -5.296 1.00 0.00 C ATOM 627 CD GLN A 44 1.360 9.368 -6.531 1.00 0.00 C ATOM 628 OE1 GLN A 44 2.159 10.289 -6.519 1.00 0.00 O ATOM 629 NE2 GLN A 44 1.117 8.607 -7.595 1.00 0.00 N ATOM 0 H GLN A 44 1.549 8.658 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.364 7.640 -3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.808 9.351 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.323 8.005 -4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.177 8.210 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.035 9.851 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.434 7.851 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.613 8.779 -8.469 1.00 0.00 H new ATOM 636 N GLN A 45 2.348 5.772 -3.200 1.00 0.00 N ATOM 637 CA GLN A 45 2.865 4.431 -3.416 1.00 0.00 C ATOM 638 C GLN A 45 2.018 3.407 -2.658 1.00 0.00 C ATOM 639 O GLN A 45 1.553 2.428 -3.241 1.00 0.00 O ATOM 640 CB GLN A 45 4.336 4.338 -3.004 1.00 0.00 C ATOM 641 CG GLN A 45 5.183 5.366 -3.758 1.00 0.00 C ATOM 642 CD GLN A 45 5.868 4.729 -4.969 1.00 0.00 C ATOM 643 OE1 GLN A 45 5.233 4.197 -5.866 1.00 0.00 O ATOM 644 NE2 GLN A 45 7.194 4.811 -4.945 1.00 0.00 N ATOM 0 H GLN A 45 3.013 6.425 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 45 2.805 4.206 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.428 4.503 -1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.711 3.335 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.552 6.192 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.935 5.784 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.663 5.270 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.743 4.415 -5.708 1.00 0.00 H new ATOM 651 N CYS A 46 1.843 3.667 -1.371 1.00 0.00 N ATOM 652 CA CYS A 46 1.060 2.780 -0.527 1.00 0.00 C ATOM 653 C CYS A 46 -0.336 2.645 -1.138 1.00 0.00 C ATOM 654 O CYS A 46 -0.741 1.553 -1.535 1.00 0.00 O ATOM 655 CB CYS A 46 1.005 3.277 0.919 1.00 0.00 C ATOM 656 SG CYS A 46 2.459 2.667 1.847 1.00 0.00 S ATOM 0 H CYS A 46 2.230 4.480 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 46 1.534 1.799 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.983 4.367 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.088 2.932 1.396 1.00 0.00 H new ATOM 0 HG CYS A 46 2.403 3.096 3.073 1.00 0.00 H new ATOM 661 N GLN A 47 -1.034 3.770 -1.195 1.00 0.00 N ATOM 662 CA GLN A 47 -2.375 3.791 -1.751 1.00 0.00 C ATOM 663 C GLN A 47 -2.396 3.101 -3.117 1.00 0.00 C ATOM 664 O GLN A 47 -3.215 2.216 -3.357 1.00 0.00 O ATOM 665 CB GLN A 47 -2.905 5.222 -1.852 1.00 0.00 C ATOM 666 CG GLN A 47 -4.426 5.235 -2.014 1.00 0.00 C ATOM 667 CD GLN A 47 -5.080 6.162 -0.987 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.454 7.043 -0.421 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.370 5.914 -0.779 1.00 0.00 N ATOM 0 H GLN A 47 -0.695 4.674 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.033 3.241 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.626 5.780 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.441 5.726 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.685 5.562 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.816 4.224 -1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.833 5.160 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.896 6.477 -0.111 1.00 0.00 H new ATOM 676 N TYR A 48 -1.483 3.532 -3.975 1.00 0.00 N ATOM 677 CA TYR A 48 -1.386 2.967 -5.310 1.00 0.00 C ATOM 678 C TYR A 48 -1.163 1.455 -5.250 1.00 0.00 C ATOM 679 O TYR A 48 -1.989 0.682 -5.732 1.00 0.00 O ATOM 680 CB TYR A 48 -0.166 3.625 -5.959 1.00 0.00 C ATOM 681 CG TYR A 48 0.185 3.062 -7.338 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.907 1.891 -7.440 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.219 3.726 -8.477 1.00 0.00 C ATOM 684 CE1 TYR A 48 1.238 1.360 -8.737 1.00 0.00 C ATOM 685 CE2 TYR A 48 0.112 3.196 -9.775 1.00 0.00 C ATOM 686 CZ TYR A 48 0.824 2.039 -9.840 1.00 0.00 C ATOM 687 OH TYR A 48 1.137 1.538 -11.066 1.00 0.00 O ATOM 0 H TYR A 48 -0.804 4.266 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.304 3.145 -5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.349 4.696 -6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.693 3.504 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.224 1.372 -6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.783 4.643 -8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.802 0.444 -8.831 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.198 3.705 -10.675 1.00 0.00 H new ATOM 0 HH TYR A 48 0.776 2.126 -11.762 1.00 0.00 H new ATOM 696 N ARG A 49 -0.041 1.077 -4.654 1.00 0.00 N ATOM 697 CA ARG A 49 0.301 -0.329 -4.525 1.00 0.00 C ATOM 698 C ARG A 49 -0.876 -1.110 -3.938 1.00 0.00 C ATOM 699 O ARG A 49 -0.987 -2.318 -4.139 1.00 0.00 O ATOM 700 CB ARG A 49 1.527 -0.517 -3.629 1.00 0.00 C ATOM 701 CG ARG A 49 1.839 -2.003 -3.430 1.00 0.00 C ATOM 702 CD ARG A 49 2.384 -2.625 -4.718 1.00 0.00 C ATOM 703 NE ARG A 49 2.197 -4.092 -4.688 1.00 0.00 N ATOM 704 CZ ARG A 49 2.970 -4.967 -5.367 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.990 -4.528 -6.134 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.713 -6.258 -5.268 1.00 0.00 N ATOM 0 H ARG A 49 0.643 1.720 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 49 0.531 -0.707 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.387 -0.018 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.351 -0.046 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.568 -2.121 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.936 -2.530 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.871 -2.202 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.442 -2.387 -4.828 1.00 0.00 H new ATOM 0 HE ARG A 49 1.437 -4.466 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.182 -3.529 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.569 -5.196 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.941 -6.581 -4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.287 -6.933 -5.774 1.00 0.00 H new ATOM 716 N TRP A 50 -1.727 -0.388 -3.223 1.00 0.00 N ATOM 717 CA TRP A 50 -2.891 -0.999 -2.605 1.00 0.00 C ATOM 718 C TRP A 50 -4.005 -1.060 -3.653 1.00 0.00 C ATOM 719 O TRP A 50 -4.461 -2.144 -4.014 1.00 0.00 O ATOM 720 CB TRP A 50 -3.302 -0.240 -1.341 1.00 0.00 C ATOM 721 CG TRP A 50 -4.744 -0.498 -0.901 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.874 -0.093 -1.498 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.170 -1.242 0.260 1.00 0.00 C ATOM 724 NE1 TRP A 50 -6.991 -0.518 -0.808 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.549 -1.238 0.294 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.414 -1.895 1.249 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.292 -1.874 1.297 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.171 -2.524 2.244 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.560 -2.531 2.293 1.00 0.00 C ATOM 0 H TRP A 50 -1.633 0.614 -3.058 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.665 -2.013 -2.276 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.630 -0.517 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.171 0.828 -1.513 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -5.906 0.492 -2.405 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -7.962 -0.337 -1.061 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.334 -1.910 1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.372 -1.858 1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.638 -3.040 3.029 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.072 -3.041 3.096 1.00 0.00 H new ATOM 739 N LEU A 51 -4.408 0.115 -4.111 1.00 0.00 N ATOM 740 CA LEU A 51 -5.459 0.209 -5.110 1.00 0.00 C ATOM 741 C LEU A 51 -5.010 -0.508 -6.385 1.00 0.00 C ATOM 742 O LEU A 51 -5.797 -0.683 -7.314 1.00 0.00 O ATOM 743 CB LEU A 51 -5.859 1.668 -5.333 1.00 0.00 C ATOM 744 CG LEU A 51 -6.808 2.269 -4.294 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.083 3.745 -4.593 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.100 1.454 -4.194 1.00 0.00 C ATOM 0 H LEU A 51 -4.026 1.011 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.361 -0.294 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.952 2.273 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.327 1.750 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.322 2.222 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.760 4.149 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.146 4.301 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.539 3.838 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.757 1.903 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.601 1.447 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.863 0.431 -3.900 1.00 0.00 H new ATOM 757 N ARG A 52 -3.745 -0.902 -6.389 1.00 0.00 N ATOM 758 CA ARG A 52 -3.181 -1.595 -7.535 1.00 0.00 C ATOM 759 C ARG A 52 -3.036 -3.088 -7.234 1.00 0.00 C ATOM 760 O ARG A 52 -3.428 -3.929 -8.042 1.00 0.00 O ATOM 761 CB ARG A 52 -1.812 -1.022 -7.906 1.00 0.00 C ATOM 762 CG ARG A 52 -1.954 0.339 -8.591 1.00 0.00 C ATOM 763 CD ARG A 52 -2.961 0.270 -9.742 1.00 0.00 C ATOM 764 NE ARG A 52 -2.684 1.344 -10.722 1.00 0.00 N ATOM 765 CZ ARG A 52 -3.359 1.506 -11.878 1.00 0.00 C ATOM 766 NH1 ARG A 52 -4.361 0.665 -12.211 1.00 0.00 N ATOM 767 NH2 ARG A 52 -3.027 2.502 -12.680 1.00 0.00 N ATOM 0 H ARG A 52 -3.095 -0.755 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.861 -1.454 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.202 -0.920 -7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.292 -1.714 -8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.277 1.084 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.985 0.663 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.902 -0.703 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.975 0.372 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.935 2.003 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.613 -0.101 -11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.866 0.795 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.270 3.135 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.528 2.638 -13.558 1.00 0.00 H new ATOM 777 N VAL A 53 -2.473 -3.372 -6.069 1.00 0.00 N ATOM 778 CA VAL A 53 -2.271 -4.750 -5.652 1.00 0.00 C ATOM 779 C VAL A 53 -3.222 -5.071 -4.496 1.00 0.00 C ATOM 780 O VAL A 53 -4.087 -5.937 -4.621 1.00 0.00 O ATOM 781 CB VAL A 53 -0.801 -4.980 -5.297 1.00 0.00 C ATOM 782 CG1 VAL A 53 -0.548 -6.443 -4.930 1.00 0.00 C ATOM 783 CG2 VAL A 53 0.113 -4.536 -6.440 1.00 0.00 C ATOM 0 H VAL A 53 -2.150 -2.672 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.505 -5.434 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.567 -4.371 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.505 -6.579 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.161 -6.714 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.807 -7.080 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.153 -4.710 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.124 -5.107 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.038 -3.474 -6.635 1.00 0.00 H new ATOM 793 N LEU A 54 -3.028 -4.358 -3.396 1.00 0.00 N ATOM 794 CA LEU A 54 -3.857 -4.557 -2.219 1.00 0.00 C ATOM 795 C LEU A 54 -5.207 -3.868 -2.430 1.00 0.00 C ATOM 796 O LEU A 54 -5.510 -2.876 -1.769 1.00 0.00 O ATOM 797 CB LEU A 54 -3.120 -4.094 -0.961 1.00 0.00 C ATOM 798 CG LEU A 54 -1.599 -4.266 -0.973 1.00 0.00 C ATOM 799 CD1 LEU A 54 -0.993 -3.868 0.374 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.211 -5.690 -1.378 1.00 0.00 C ATOM 0 H LEU A 54 -2.309 -3.642 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.060 -5.618 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.345 -3.040 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.521 -4.640 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.185 -3.594 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.089 -3.999 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.225 -2.824 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.410 -4.497 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.125 -5.785 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.637 -6.399 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.594 -5.902 -2.376 1.00 0.00 H new ATOM 811 N SER A 55 -5.980 -4.422 -3.351 1.00 0.00 N ATOM 812 CA SER A 55 -7.291 -3.874 -3.657 1.00 0.00 C ATOM 813 C SER A 55 -8.379 -4.888 -3.299 1.00 0.00 C ATOM 814 O SER A 55 -8.639 -5.819 -4.061 1.00 0.00 O ATOM 815 CB SER A 55 -7.394 -3.482 -5.132 1.00 0.00 C ATOM 816 OG SER A 55 -6.964 -4.531 -5.994 1.00 0.00 O ATOM 0 H SER A 55 -5.724 -5.245 -3.896 1.00 0.00 H new ATOM 0 HA SER A 55 -7.433 -2.973 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.426 -3.220 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.790 -2.593 -5.314 1.00 0.00 H new ATOM 0 HG SER A 55 -7.362 -5.378 -5.703 1.00 0.00 H new ATOM 821 N GLY A 56 -8.985 -4.676 -2.141 1.00 0.00 N ATOM 822 CA GLY A 56 -10.038 -5.561 -1.674 1.00 0.00 C ATOM 823 C GLY A 56 -11.396 -5.146 -2.246 1.00 0.00 C ATOM 824 O GLY A 56 -11.867 -4.038 -1.995 1.00 0.00 O ATOM 0 H GLY A 56 -8.767 -3.904 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.813 -6.586 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.077 -5.543 -0.585 1.00 0.00 H new ATOM 828 N PRO A 57 -12.002 -6.082 -3.024 1.00 0.00 N ATOM 829 CA PRO A 57 -13.296 -5.825 -3.633 1.00 0.00 C ATOM 830 C PRO A 57 -14.418 -5.912 -2.596 1.00 0.00 C ATOM 831 O PRO A 57 -15.292 -6.770 -2.692 1.00 0.00 O ATOM 832 CB PRO A 57 -13.425 -6.864 -4.735 1.00 0.00 C ATOM 833 CG PRO A 57 -12.416 -7.952 -4.403 1.00 0.00 C ATOM 834 CD PRO A 57 -11.474 -7.406 -3.342 1.00 0.00 C ATOM 0 HA PRO A 57 -13.376 -4.818 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.437 -7.268 -4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.219 -6.425 -5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.924 -8.845 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.860 -8.242 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.456 -8.047 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.451 -7.346 -3.714 1.00 0.00 H new ATOM 839 N SER A 58 -14.356 -5.009 -1.628 1.00 0.00 N ATOM 840 CA SER A 58 -15.355 -4.972 -0.574 1.00 0.00 C ATOM 841 C SER A 58 -16.670 -4.413 -1.120 1.00 0.00 C ATOM 842 O SER A 58 -16.712 -3.291 -1.623 1.00 0.00 O ATOM 843 CB SER A 58 -14.873 -4.134 0.613 1.00 0.00 C ATOM 844 OG SER A 58 -15.007 -4.831 1.848 1.00 0.00 O ATOM 0 H SER A 58 -13.629 -4.297 -1.552 1.00 0.00 H new ATOM 0 HA SER A 58 -15.519 -5.990 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.829 -3.860 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.443 -3.206 0.657 1.00 0.00 H new ATOM 0 HG SER A 58 -14.687 -4.264 2.580 1.00 0.00 H new ATOM 849 N SER A 59 -17.713 -5.221 -1.002 1.00 0.00 N ATOM 850 CA SER A 59 -19.027 -4.822 -1.476 1.00 0.00 C ATOM 851 C SER A 59 -19.532 -3.621 -0.672 1.00 0.00 C ATOM 852 O SER A 59 -19.819 -2.567 -1.239 1.00 0.00 O ATOM 853 CB SER A 59 -20.023 -5.980 -1.382 1.00 0.00 C ATOM 854 OG SER A 59 -19.741 -7.004 -2.332 1.00 0.00 O ATOM 0 H SER A 59 -17.675 -6.151 -0.585 1.00 0.00 H new ATOM 0 HA SER A 59 -18.939 -4.538 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 59 -19.996 -6.401 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.033 -5.604 -1.543 1.00 0.00 H new ATOM 0 HG SER A 59 -20.397 -7.726 -2.239 1.00 0.00 H new ATOM 859 N GLY A 60 -19.623 -3.820 0.634 1.00 0.00 N ATOM 860 CA GLY A 60 -20.087 -2.767 1.521 1.00 0.00 C ATOM 861 C GLY A 60 -18.974 -1.755 1.800 1.00 0.00 C ATOM 862 O GLY A 60 -19.210 -0.548 1.784 1.00 0.00 O ATOM 0 H GLY A 60 -19.383 -4.695 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -20.941 -2.259 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.431 -3.202 2.459 1.00 0.00 H new TER 866 GLY A 60