USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 927 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 93 HIS : no HE2:sc= -1.81 X(o=-1.3,f=-1.6) USER MOD Set 1.2: A 113 SER OG : rot -80:sc= 0.475 USER MOD Set 2.1: A 68 SER OG : rot -15:sc= 0.836 USER MOD Set 2.2: A 70 HIS : no HE2:sc= -1.93! C(o=-1.1!,f=-7.6!) USER MOD Set 3.1: A 52 ASN : amide:sc= -0.324 K(o=-0.61,f=-3.1!) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.286 K(o=-0.61,f=1.4) USER MOD Set 4.1: A 32 SER OG : rot -103:sc= 0.864 USER MOD Set 4.2: A 48 THR OG1 : rot -159:sc= 0.878 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 28:sc= 0.308 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 7:sc= 0.296 USER MOD Single : A 20 SER OG : rot -50:sc= 0.276 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.596 X(o=-0.6,f=-0.15) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.369 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00475 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.64) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 79 LYS NZ :NH3+ 148:sc= 0.106 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.78) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0084 USER MOD Single : A 87 ASN : amide:sc= -5.04! C(o=-5!,f=-4.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 31:sc= 0.443 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.106 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.46! C(o=-2.5!,f=-15!) USER MOD Single : A 103 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.059) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -166:sc= 0.823 USER MOD Single : A 119 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-1.2) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -56:sc= 0.207 USER MOD Single : A 125 SER OG : rot 180:sc= -0.023 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.178 17.606 -4.372 1.00 0.00 N ATOM 2 CA GLY A 1 5.263 17.773 -5.486 1.00 0.00 C ATOM 3 C GLY A 1 3.894 18.252 -5.045 1.00 0.00 C ATOM 4 O GLY A 1 3.126 17.497 -4.448 1.00 0.00 O ATOM 0 H1 GLY A 1 7.099 17.277 -4.726 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.299 18.516 -3.883 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.792 16.905 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.684 18.487 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.160 16.824 -6.013 1.00 0.00 H new ATOM 8 N SER A 2 3.587 19.512 -5.338 1.00 0.00 N ATOM 9 CA SER A 2 2.303 20.093 -4.963 1.00 0.00 C ATOM 10 C SER A 2 1.319 20.033 -6.127 1.00 0.00 C ATOM 11 O SER A 2 0.589 20.989 -6.386 1.00 0.00 O ATOM 12 CB SER A 2 2.489 21.543 -4.511 1.00 0.00 C ATOM 13 OG SER A 2 3.318 21.618 -3.364 1.00 0.00 O ATOM 0 H SER A 2 4.210 20.150 -5.834 1.00 0.00 H new ATOM 0 HA SER A 2 1.896 19.511 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.929 22.126 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.518 21.986 -4.291 1.00 0.00 H new ATOM 0 HG SER A 2 3.422 22.555 -3.097 1.00 0.00 H new ATOM 19 N SER A 3 1.306 18.902 -6.824 1.00 0.00 N ATOM 20 CA SER A 3 0.415 18.717 -7.964 1.00 0.00 C ATOM 21 C SER A 3 -0.510 17.524 -7.742 1.00 0.00 C ATOM 22 O SER A 3 -0.345 16.765 -6.787 1.00 0.00 O ATOM 23 CB SER A 3 1.226 18.516 -9.245 1.00 0.00 C ATOM 24 OG SER A 3 0.522 19.002 -10.375 1.00 0.00 O ATOM 0 H SER A 3 1.902 18.100 -6.620 1.00 0.00 H new ATOM 0 HA SER A 3 -0.195 19.614 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.182 19.032 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.446 17.457 -9.378 1.00 0.00 H new ATOM 0 HG SER A 3 1.062 18.864 -11.181 1.00 0.00 H new ATOM 30 N GLY A 4 -1.485 17.365 -8.632 1.00 0.00 N ATOM 31 CA GLY A 4 -2.422 16.263 -8.517 1.00 0.00 C ATOM 32 C GLY A 4 -1.771 15.001 -7.985 1.00 0.00 C ATOM 33 O GLY A 4 -2.363 14.281 -7.181 1.00 0.00 O ATOM 0 H GLY A 4 -1.643 17.980 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.239 16.553 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.859 16.058 -9.494 1.00 0.00 H new ATOM 37 N SER A 5 -0.550 14.732 -8.435 1.00 0.00 N ATOM 38 CA SER A 5 0.179 13.546 -8.004 1.00 0.00 C ATOM 39 C SER A 5 -0.015 13.301 -6.510 1.00 0.00 C ATOM 40 O SER A 5 -0.396 14.206 -5.767 1.00 0.00 O ATOM 41 CB SER A 5 1.669 13.695 -8.318 1.00 0.00 C ATOM 42 OG SER A 5 2.281 12.429 -8.499 1.00 0.00 O ATOM 0 H SER A 5 -0.045 15.320 -9.098 1.00 0.00 H new ATOM 0 HA SER A 5 -0.217 12.689 -8.549 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.796 14.296 -9.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.163 14.229 -7.506 1.00 0.00 H new ATOM 0 HG SER A 5 3.232 12.551 -8.700 1.00 0.00 H new ATOM 48 N SER A 6 0.249 12.072 -6.079 1.00 0.00 N ATOM 49 CA SER A 6 0.100 11.707 -4.675 1.00 0.00 C ATOM 50 C SER A 6 1.309 12.162 -3.863 1.00 0.00 C ATOM 51 O SER A 6 2.440 11.763 -4.137 1.00 0.00 O ATOM 52 CB SER A 6 -0.081 10.194 -4.537 1.00 0.00 C ATOM 53 OG SER A 6 1.021 9.496 -5.090 1.00 0.00 O ATOM 0 H SER A 6 0.567 11.313 -6.681 1.00 0.00 H new ATOM 0 HA SER A 6 -0.786 12.210 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.190 9.932 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.999 9.887 -5.039 1.00 0.00 H new ATOM 0 HG SER A 6 1.822 10.058 -5.042 1.00 0.00 H new ATOM 59 N GLY A 7 1.061 13.000 -2.862 1.00 0.00 N ATOM 60 CA GLY A 7 2.138 13.497 -2.026 1.00 0.00 C ATOM 61 C GLY A 7 1.736 13.607 -0.568 1.00 0.00 C ATOM 62 O GLY A 7 1.816 12.644 0.195 1.00 0.00 O ATOM 0 H GLY A 7 0.133 13.344 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.998 12.833 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.453 14.476 -2.388 1.00 0.00 H new ATOM 66 N PRO A 8 1.293 14.806 -0.161 1.00 0.00 N ATOM 67 CA PRO A 8 0.870 15.067 1.218 1.00 0.00 C ATOM 68 C PRO A 8 -0.433 14.358 1.568 1.00 0.00 C ATOM 69 O PRO A 8 -0.911 14.440 2.700 1.00 0.00 O ATOM 70 CB PRO A 8 0.678 16.586 1.248 1.00 0.00 C ATOM 71 CG PRO A 8 0.388 16.959 -0.165 1.00 0.00 C ATOM 72 CD PRO A 8 1.171 15.999 -1.016 1.00 0.00 C ATOM 0 HA PRO A 8 1.596 14.701 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.142 16.868 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.571 17.091 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.679 16.887 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.684 17.989 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.653 15.774 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.147 16.403 -1.283 1.00 0.00 H new ATOM 80 N ALA A 9 -1.004 13.661 0.591 1.00 0.00 N ATOM 81 CA ALA A 9 -2.251 12.936 0.798 1.00 0.00 C ATOM 82 C ALA A 9 -2.154 12.011 2.006 1.00 0.00 C ATOM 83 O ALA A 9 -1.100 11.900 2.634 1.00 0.00 O ATOM 84 CB ALA A 9 -2.613 12.142 -0.449 1.00 0.00 C ATOM 0 H ALA A 9 -0.622 13.583 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.038 13.664 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.547 11.605 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.733 12.823 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.819 11.428 -0.669 1.00 0.00 H new ATOM 90 N THR A 10 -3.261 11.348 2.329 1.00 0.00 N ATOM 91 CA THR A 10 -3.301 10.434 3.463 1.00 0.00 C ATOM 92 C THR A 10 -3.147 8.987 3.009 1.00 0.00 C ATOM 93 O THR A 10 -3.840 8.095 3.500 1.00 0.00 O ATOM 94 CB THR A 10 -4.616 10.576 4.253 1.00 0.00 C ATOM 95 OG1 THR A 10 -5.734 10.372 3.382 1.00 0.00 O ATOM 96 CG2 THR A 10 -4.713 11.949 4.899 1.00 0.00 C ATOM 0 H THR A 10 -4.142 11.428 1.820 1.00 0.00 H new ATOM 0 HA THR A 10 -2.466 10.699 4.112 1.00 0.00 H new ATOM 0 HB THR A 10 -4.626 9.821 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.566 10.462 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.650 12.026 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.876 12.089 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.683 12.717 4.127 1.00 0.00 H new ATOM 104 N ASP A 11 -2.236 8.760 2.069 1.00 0.00 N ATOM 105 CA ASP A 11 -1.991 7.420 1.550 1.00 0.00 C ATOM 106 C ASP A 11 -3.295 6.758 1.116 1.00 0.00 C ATOM 107 O ASP A 11 -3.513 5.572 1.365 1.00 0.00 O ATOM 108 CB ASP A 11 -1.295 6.560 2.606 1.00 0.00 C ATOM 109 CG ASP A 11 0.194 6.835 2.686 1.00 0.00 C ATOM 110 OD1 ASP A 11 0.569 7.953 3.095 1.00 0.00 O ATOM 111 OD2 ASP A 11 0.984 5.931 2.340 1.00 0.00 O ATOM 0 H ASP A 11 -1.655 9.487 1.651 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.342 7.508 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.749 6.746 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.455 5.507 2.376 1.00 0.00 H new ATOM 116 N TRP A 12 -4.158 7.531 0.468 1.00 0.00 N ATOM 117 CA TRP A 12 -5.442 7.020 0.000 1.00 0.00 C ATOM 118 C TRP A 12 -5.433 6.827 -1.512 1.00 0.00 C ATOM 119 O TRP A 12 -5.284 7.786 -2.270 1.00 0.00 O ATOM 120 CB TRP A 12 -6.569 7.974 0.398 1.00 0.00 C ATOM 121 CG TRP A 12 -7.854 7.709 -0.326 1.00 0.00 C ATOM 122 CD1 TRP A 12 -8.117 7.949 -1.644 1.00 0.00 C ATOM 123 CD2 TRP A 12 -9.052 7.155 0.229 1.00 0.00 C ATOM 124 NE1 TRP A 12 -9.406 7.578 -1.942 1.00 0.00 N ATOM 125 CE2 TRP A 12 -10.000 7.086 -0.810 1.00 0.00 C ATOM 126 CE3 TRP A 12 -9.415 6.707 1.502 1.00 0.00 C ATOM 127 CZ2 TRP A 12 -11.286 6.591 -0.613 1.00 0.00 C ATOM 128 CZ3 TRP A 12 -10.692 6.216 1.697 1.00 0.00 C ATOM 129 CH2 TRP A 12 -11.615 6.160 0.643 1.00 0.00 C ATOM 0 H TRP A 12 -3.993 8.515 0.254 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.612 6.051 0.470 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.742 7.894 1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.254 8.999 0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.415 8.369 -2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -9.849 7.656 -2.858 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -8.710 6.744 2.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -11.999 6.549 -1.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -10.984 5.870 2.677 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -12.605 5.769 0.826 1.00 0.00 H new ATOM 140 N LEU A 13 -5.592 5.581 -1.946 1.00 0.00 N ATOM 141 CA LEU A 13 -5.603 5.262 -3.369 1.00 0.00 C ATOM 142 C LEU A 13 -6.771 4.343 -3.713 1.00 0.00 C ATOM 143 O LEU A 13 -6.625 3.403 -4.494 1.00 0.00 O ATOM 144 CB LEU A 13 -4.284 4.602 -3.774 1.00 0.00 C ATOM 145 CG LEU A 13 -3.070 5.529 -3.865 1.00 0.00 C ATOM 146 CD1 LEU A 13 -1.790 4.761 -3.575 1.00 0.00 C ATOM 147 CD2 LEU A 13 -3.002 6.184 -5.237 1.00 0.00 C ATOM 0 H LEU A 13 -5.715 4.775 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.722 6.193 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.060 3.813 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.423 4.122 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.177 6.313 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.937 5.436 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.838 4.339 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.676 3.957 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.133 6.840 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.918 5.414 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.907 6.768 -5.407 1.00 0.00 H new ATOM 159 N SER A 14 -7.930 4.622 -3.125 1.00 0.00 N ATOM 160 CA SER A 14 -9.123 3.820 -3.367 1.00 0.00 C ATOM 161 C SER A 14 -9.339 3.606 -4.862 1.00 0.00 C ATOM 162 O SER A 14 -9.592 2.488 -5.310 1.00 0.00 O ATOM 163 CB SER A 14 -10.351 4.495 -2.755 1.00 0.00 C ATOM 164 OG SER A 14 -11.433 3.587 -2.648 1.00 0.00 O ATOM 0 H SER A 14 -8.068 5.398 -2.477 1.00 0.00 H new ATOM 0 HA SER A 14 -8.979 2.848 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.101 4.885 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.646 5.346 -3.369 1.00 0.00 H new ATOM 0 HG SER A 14 -12.205 4.043 -2.252 1.00 0.00 H new ATOM 170 N ALA A 15 -9.236 4.686 -5.629 1.00 0.00 N ATOM 171 CA ALA A 15 -9.418 4.617 -7.074 1.00 0.00 C ATOM 172 C ALA A 15 -8.374 3.710 -7.716 1.00 0.00 C ATOM 173 O ALA A 15 -7.255 4.139 -7.995 1.00 0.00 O ATOM 174 CB ALA A 15 -9.355 6.011 -7.681 1.00 0.00 C ATOM 0 H ALA A 15 -9.028 5.619 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.402 4.191 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.492 5.944 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.143 6.630 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.384 6.458 -7.466 1.00 0.00 H new ATOM 180 N GLU A 16 -8.748 2.456 -7.947 1.00 0.00 N ATOM 181 CA GLU A 16 -7.842 1.489 -8.555 1.00 0.00 C ATOM 182 C GLU A 16 -8.583 0.208 -8.928 1.00 0.00 C ATOM 183 O GLU A 16 -9.174 -0.453 -8.074 1.00 0.00 O ATOM 184 CB GLU A 16 -6.691 1.165 -7.601 1.00 0.00 C ATOM 185 CG GLU A 16 -5.536 0.435 -8.265 1.00 0.00 C ATOM 186 CD GLU A 16 -4.571 -0.167 -7.262 1.00 0.00 C ATOM 187 OE1 GLU A 16 -3.909 0.606 -6.538 1.00 0.00 O ATOM 188 OE2 GLU A 16 -4.479 -1.411 -7.201 1.00 0.00 O ATOM 0 H GLU A 16 -9.672 2.086 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.437 1.932 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.320 2.092 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.071 0.556 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.930 -0.356 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.997 1.128 -8.911 1.00 0.00 H new ATOM 195 N THR A 17 -8.548 -0.136 -10.212 1.00 0.00 N ATOM 196 CA THR A 17 -9.217 -1.336 -10.700 1.00 0.00 C ATOM 197 C THR A 17 -8.248 -2.510 -10.784 1.00 0.00 C ATOM 198 O THR A 17 -8.343 -3.343 -11.686 1.00 0.00 O ATOM 199 CB THR A 17 -9.846 -1.103 -12.087 1.00 0.00 C ATOM 200 OG1 THR A 17 -8.840 -0.685 -13.017 1.00 0.00 O ATOM 201 CG2 THR A 17 -10.944 -0.054 -12.014 1.00 0.00 C ATOM 0 H THR A 17 -8.064 0.399 -10.932 1.00 0.00 H new ATOM 0 HA THR A 17 -10.006 -1.571 -9.986 1.00 0.00 H new ATOM 0 HB THR A 17 -10.285 -2.042 -12.425 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.958 -0.747 -12.594 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.373 0.093 -13.005 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.722 -0.389 -11.328 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.525 0.887 -11.656 1.00 0.00 H new ATOM 209 N PHE A 18 -7.316 -2.571 -9.839 1.00 0.00 N ATOM 210 CA PHE A 18 -6.329 -3.644 -9.806 1.00 0.00 C ATOM 211 C PHE A 18 -6.259 -4.277 -8.419 1.00 0.00 C ATOM 212 O PHE A 18 -5.181 -4.626 -7.940 1.00 0.00 O ATOM 213 CB PHE A 18 -4.952 -3.111 -10.207 1.00 0.00 C ATOM 214 CG PHE A 18 -4.926 -2.485 -11.572 1.00 0.00 C ATOM 215 CD1 PHE A 18 -5.565 -1.279 -11.808 1.00 0.00 C ATOM 216 CD2 PHE A 18 -4.261 -3.103 -12.619 1.00 0.00 C ATOM 217 CE1 PHE A 18 -5.542 -0.701 -13.063 1.00 0.00 C ATOM 218 CE2 PHE A 18 -4.235 -2.530 -13.877 1.00 0.00 C ATOM 219 CZ PHE A 18 -4.876 -1.327 -14.099 1.00 0.00 C ATOM 0 H PHE A 18 -7.223 -1.890 -9.086 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.636 -4.409 -10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.628 -2.374 -9.472 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.232 -3.929 -10.177 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.087 -0.785 -11.002 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.757 -4.043 -12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.044 0.240 -13.234 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.714 -3.022 -14.685 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.857 -0.877 -15.080 1.00 0.00 H new ATOM 229 N GLU A 19 -7.416 -4.419 -7.781 1.00 0.00 N ATOM 230 CA GLU A 19 -7.485 -5.007 -6.448 1.00 0.00 C ATOM 231 C GLU A 19 -7.318 -6.523 -6.514 1.00 0.00 C ATOM 232 O GLU A 19 -7.649 -7.152 -7.519 1.00 0.00 O ATOM 233 CB GLU A 19 -8.817 -4.659 -5.781 1.00 0.00 C ATOM 234 CG GLU A 19 -8.832 -4.911 -4.283 1.00 0.00 C ATOM 235 CD GLU A 19 -8.083 -3.847 -3.505 1.00 0.00 C ATOM 236 OE1 GLU A 19 -6.892 -3.620 -3.803 1.00 0.00 O ATOM 237 OE2 GLU A 19 -8.689 -3.240 -2.596 1.00 0.00 O ATOM 0 H GLU A 19 -8.318 -4.135 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.670 -4.593 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.043 -3.609 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.611 -5.243 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.864 -4.951 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.389 -5.885 -4.078 1.00 0.00 H new ATOM 244 N SER A 20 -6.801 -7.102 -5.435 1.00 0.00 N ATOM 245 CA SER A 20 -6.584 -8.543 -5.370 1.00 0.00 C ATOM 246 C SER A 20 -5.613 -8.996 -6.456 1.00 0.00 C ATOM 247 O SER A 20 -5.638 -10.150 -6.885 1.00 0.00 O ATOM 248 CB SER A 20 -7.914 -9.286 -5.517 1.00 0.00 C ATOM 249 OG SER A 20 -7.789 -10.638 -5.111 1.00 0.00 O ATOM 0 H SER A 20 -6.525 -6.596 -4.594 1.00 0.00 H new ATOM 0 HA SER A 20 -6.149 -8.777 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.679 -8.792 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.246 -9.243 -6.554 1.00 0.00 H new ATOM 0 HG SER A 20 -7.016 -11.043 -5.557 1.00 0.00 H new ATOM 255 N ASP A 21 -4.759 -8.079 -6.897 1.00 0.00 N ATOM 256 CA ASP A 21 -3.778 -8.382 -7.932 1.00 0.00 C ATOM 257 C ASP A 21 -2.366 -8.053 -7.456 1.00 0.00 C ATOM 258 O ASP A 21 -1.387 -8.614 -7.949 1.00 0.00 O ATOM 259 CB ASP A 21 -4.094 -7.601 -9.209 1.00 0.00 C ATOM 260 CG ASP A 21 -5.121 -8.302 -10.077 1.00 0.00 C ATOM 261 OD1 ASP A 21 -4.914 -9.491 -10.399 1.00 0.00 O ATOM 262 OD2 ASP A 21 -6.132 -7.662 -10.433 1.00 0.00 O ATOM 0 H ASP A 21 -4.726 -7.119 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.830 -9.450 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.462 -6.610 -8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.177 -7.458 -9.780 1.00 0.00 H new ATOM 267 N LEU A 22 -2.269 -7.140 -6.496 1.00 0.00 N ATOM 268 CA LEU A 22 -0.977 -6.735 -5.954 1.00 0.00 C ATOM 269 C LEU A 22 -0.276 -7.911 -5.281 1.00 0.00 C ATOM 270 O LEU A 22 -0.831 -9.006 -5.186 1.00 0.00 O ATOM 271 CB LEU A 22 -1.157 -5.593 -4.952 1.00 0.00 C ATOM 272 CG LEU A 22 -1.509 -4.229 -5.546 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.356 -3.697 -6.383 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.778 -4.322 -6.382 1.00 0.00 C ATOM 0 H LEU A 22 -3.069 -6.666 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.356 -6.390 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.941 -5.874 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.236 -5.491 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.688 -3.533 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.625 -2.725 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.530 -3.592 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.145 -4.392 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.013 -3.342 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.627 -5.033 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.603 -4.658 -5.754 1.00 0.00 H new ATOM 286 N ASP A 23 0.945 -7.676 -4.813 1.00 0.00 N ATOM 287 CA ASP A 23 1.721 -8.715 -4.145 1.00 0.00 C ATOM 288 C ASP A 23 2.239 -8.224 -2.797 1.00 0.00 C ATOM 289 O ASP A 23 3.199 -7.458 -2.733 1.00 0.00 O ATOM 290 CB ASP A 23 2.891 -9.153 -5.027 1.00 0.00 C ATOM 291 CG ASP A 23 2.512 -10.268 -5.981 1.00 0.00 C ATOM 292 OD1 ASP A 23 2.276 -11.399 -5.508 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.452 -10.010 -7.202 1.00 0.00 O ATOM 0 H ASP A 23 1.419 -6.776 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 23 1.067 -9.569 -3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.252 -8.297 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.715 -9.484 -4.395 1.00 0.00 H new ATOM 298 N GLU A 24 1.595 -8.671 -1.723 1.00 0.00 N ATOM 299 CA GLU A 24 1.990 -8.275 -0.377 1.00 0.00 C ATOM 300 C GLU A 24 2.086 -9.490 0.542 1.00 0.00 C ATOM 301 O GLU A 24 1.761 -9.415 1.727 1.00 0.00 O ATOM 302 CB GLU A 24 0.992 -7.267 0.196 1.00 0.00 C ATOM 303 CG GLU A 24 1.551 -6.441 1.342 1.00 0.00 C ATOM 304 CD GLU A 24 0.473 -5.962 2.296 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.543 -6.672 2.449 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.647 -4.877 2.890 1.00 0.00 O ATOM 0 H GLU A 24 0.798 -9.307 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 24 2.973 -7.808 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.668 -6.596 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.107 -7.801 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.280 -7.036 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.083 -5.579 0.938 1.00 0.00 H new ATOM 313 N THR A 25 2.535 -10.611 -0.015 1.00 0.00 N ATOM 314 CA THR A 25 2.673 -11.842 0.752 1.00 0.00 C ATOM 315 C THR A 25 4.138 -12.149 1.041 1.00 0.00 C ATOM 316 O THR A 25 4.454 -12.904 1.961 1.00 0.00 O ATOM 317 CB THR A 25 2.046 -13.039 0.011 1.00 0.00 C ATOM 318 OG1 THR A 25 2.168 -14.225 0.803 1.00 0.00 O ATOM 319 CG2 THR A 25 2.718 -13.252 -1.337 1.00 0.00 C ATOM 0 H THR A 25 2.809 -10.691 -0.994 1.00 0.00 H new ATOM 0 HA THR A 25 2.144 -11.689 1.693 1.00 0.00 H new ATOM 0 HB THR A 25 0.991 -12.822 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.766 -14.980 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.259 -14.102 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.598 -12.358 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.780 -13.449 -1.187 1.00 0.00 H new ATOM 327 N ARG A 26 5.028 -11.560 0.249 1.00 0.00 N ATOM 328 CA ARG A 26 6.461 -11.771 0.421 1.00 0.00 C ATOM 329 C ARG A 26 7.209 -10.442 0.427 1.00 0.00 C ATOM 330 O ARG A 26 6.752 -9.456 -0.153 1.00 0.00 O ATOM 331 CB ARG A 26 7.002 -12.668 -0.694 1.00 0.00 C ATOM 332 CG ARG A 26 7.155 -11.957 -2.028 1.00 0.00 C ATOM 333 CD ARG A 26 8.139 -12.680 -2.935 1.00 0.00 C ATOM 334 NE ARG A 26 7.497 -13.744 -3.701 1.00 0.00 N ATOM 335 CZ ARG A 26 8.151 -14.785 -4.205 1.00 0.00 C ATOM 336 NH1 ARG A 26 9.460 -14.900 -4.024 1.00 0.00 N ATOM 337 NH2 ARG A 26 7.497 -15.713 -4.891 1.00 0.00 N ATOM 0 H ARG A 26 4.783 -10.933 -0.518 1.00 0.00 H new ATOM 0 HA ARG A 26 6.619 -12.261 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.971 -13.066 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.333 -13.519 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.185 -11.892 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.496 -10.935 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.594 -11.964 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.944 -13.102 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 26 6.491 -13.685 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.966 -14.188 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.960 -15.700 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.490 -15.628 -5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.001 -16.511 -5.277 1.00 0.00 H new ATOM 351 N VAL A 27 8.363 -10.421 1.086 1.00 0.00 N ATOM 352 CA VAL A 27 9.176 -9.213 1.168 1.00 0.00 C ATOM 353 C VAL A 27 9.835 -8.903 -0.172 1.00 0.00 C ATOM 354 O VAL A 27 10.173 -9.797 -0.948 1.00 0.00 O ATOM 355 CB VAL A 27 10.268 -9.343 2.247 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.645 -9.637 3.603 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.268 -10.423 1.865 1.00 0.00 C ATOM 0 H VAL A 27 8.756 -11.227 1.571 1.00 0.00 H new ATOM 0 HA VAL A 27 8.505 -8.397 1.438 1.00 0.00 H new ATOM 0 HB VAL A 27 10.801 -8.395 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.431 -9.726 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.971 -8.825 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.086 -10.571 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.032 -10.501 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.752 -11.378 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.737 -10.165 0.916 1.00 0.00 H new ATOM 367 N PRO A 28 10.024 -7.605 -0.451 1.00 0.00 N ATOM 368 CA PRO A 28 10.645 -7.146 -1.697 1.00 0.00 C ATOM 369 C PRO A 28 12.133 -7.477 -1.759 1.00 0.00 C ATOM 370 O PRO A 28 12.921 -6.983 -0.954 1.00 0.00 O ATOM 371 CB PRO A 28 10.436 -5.630 -1.661 1.00 0.00 C ATOM 372 CG PRO A 28 10.313 -5.299 -0.213 1.00 0.00 C ATOM 373 CD PRO A 28 9.646 -6.485 0.427 1.00 0.00 C ATOM 0 HA PRO A 28 10.209 -7.629 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.274 -5.104 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.540 -5.341 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.292 -5.116 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.723 -4.394 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.995 -6.640 1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.564 -6.360 0.475 1.00 0.00 H new ATOM 381 N GLU A 29 12.508 -8.314 -2.721 1.00 0.00 N ATOM 382 CA GLU A 29 13.902 -8.711 -2.887 1.00 0.00 C ATOM 383 C GLU A 29 14.761 -7.519 -3.299 1.00 0.00 C ATOM 384 O GLU A 29 14.245 -6.484 -3.723 1.00 0.00 O ATOM 385 CB GLU A 29 14.018 -9.823 -3.931 1.00 0.00 C ATOM 386 CG GLU A 29 13.427 -9.454 -5.281 1.00 0.00 C ATOM 387 CD GLU A 29 13.746 -10.475 -6.356 1.00 0.00 C ATOM 388 OE1 GLU A 29 14.777 -11.168 -6.228 1.00 0.00 O ATOM 389 OE2 GLU A 29 12.965 -10.582 -7.325 1.00 0.00 O ATOM 0 H GLU A 29 11.867 -8.730 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 29 14.264 -9.084 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.069 -10.079 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.517 -10.716 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.345 -9.358 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.808 -8.479 -5.586 1.00 0.00 H new ATOM 396 N VAL A 30 16.075 -7.671 -3.171 1.00 0.00 N ATOM 397 CA VAL A 30 17.007 -6.609 -3.531 1.00 0.00 C ATOM 398 C VAL A 30 16.501 -5.818 -4.732 1.00 0.00 C ATOM 399 O VAL A 30 15.977 -6.374 -5.697 1.00 0.00 O ATOM 400 CB VAL A 30 18.404 -7.173 -3.852 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.311 -8.256 -4.916 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.339 -6.057 -4.295 1.00 0.00 C ATOM 0 H VAL A 30 16.519 -8.520 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 30 17.081 -5.946 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 30 18.813 -7.621 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.307 -8.643 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.677 -9.066 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.882 -7.836 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.322 -6.473 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.937 -5.578 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.429 -5.320 -3.497 1.00 0.00 H new ATOM 412 N PRO A 31 16.662 -4.488 -4.674 1.00 0.00 N ATOM 413 CA PRO A 31 16.229 -3.591 -5.750 1.00 0.00 C ATOM 414 C PRO A 31 17.082 -3.738 -7.006 1.00 0.00 C ATOM 415 O PRO A 31 18.107 -4.419 -6.995 1.00 0.00 O ATOM 416 CB PRO A 31 16.407 -2.197 -5.143 1.00 0.00 C ATOM 417 CG PRO A 31 17.460 -2.368 -4.103 1.00 0.00 C ATOM 418 CD PRO A 31 17.279 -3.757 -3.555 1.00 0.00 C ATOM 0 HA PRO A 31 15.210 -3.804 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.711 -1.472 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.476 -1.833 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.455 -2.244 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.356 -1.621 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.231 -4.200 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.640 -3.760 -2.672 1.00 0.00 H new ATOM 426 N SER A 32 16.652 -3.094 -8.086 1.00 0.00 N ATOM 427 CA SER A 32 17.375 -3.156 -9.351 1.00 0.00 C ATOM 428 C SER A 32 18.842 -2.786 -9.157 1.00 0.00 C ATOM 429 O SER A 32 19.739 -3.505 -9.598 1.00 0.00 O ATOM 430 CB SER A 32 16.733 -2.220 -10.377 1.00 0.00 C ATOM 431 OG SER A 32 17.316 -0.930 -10.325 1.00 0.00 O ATOM 0 H SER A 32 15.807 -2.523 -8.111 1.00 0.00 H new ATOM 0 HA SER A 32 17.322 -4.180 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.851 -2.636 -11.378 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.662 -2.147 -10.187 1.00 0.00 H new ATOM 0 HG SER A 32 16.713 -0.317 -9.855 1.00 0.00 H new ATOM 437 N SER A 33 19.079 -1.659 -8.494 1.00 0.00 N ATOM 438 CA SER A 33 20.437 -1.190 -8.244 1.00 0.00 C ATOM 439 C SER A 33 20.432 0.015 -7.307 1.00 0.00 C ATOM 440 O SER A 33 19.373 0.517 -6.928 1.00 0.00 O ATOM 441 CB SER A 33 21.123 -0.823 -9.561 1.00 0.00 C ATOM 442 OG SER A 33 22.524 -1.021 -9.478 1.00 0.00 O ATOM 0 H SER A 33 18.348 -1.053 -8.120 1.00 0.00 H new ATOM 0 HA SER A 33 20.992 -1.998 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.714 -1.429 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 33 20.913 0.218 -9.806 1.00 0.00 H new ATOM 0 HG SER A 33 22.939 -0.781 -10.333 1.00 0.00 H new ATOM 448 N LEU A 34 21.622 0.474 -6.938 1.00 0.00 N ATOM 449 CA LEU A 34 21.757 1.620 -6.045 1.00 0.00 C ATOM 450 C LEU A 34 23.009 2.425 -6.378 1.00 0.00 C ATOM 451 O LEU A 34 24.131 1.941 -6.224 1.00 0.00 O ATOM 452 CB LEU A 34 21.809 1.154 -4.589 1.00 0.00 C ATOM 453 CG LEU A 34 22.561 2.066 -3.619 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.731 3.297 -3.290 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.924 1.310 -2.349 1.00 0.00 C ATOM 0 H LEU A 34 22.508 0.071 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 34 20.887 2.262 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.787 1.038 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.271 0.167 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 34 23.483 2.393 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.283 3.934 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.523 3.851 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.792 2.990 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.459 1.974 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.015 0.953 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.559 0.461 -2.600 1.00 0.00 H new ATOM 467 N HIS A 35 22.810 3.658 -6.834 1.00 0.00 N ATOM 468 CA HIS A 35 23.923 4.532 -7.186 1.00 0.00 C ATOM 469 C HIS A 35 24.143 5.592 -6.111 1.00 0.00 C ATOM 470 O HIS A 35 23.196 6.043 -5.466 1.00 0.00 O ATOM 471 CB HIS A 35 23.665 5.204 -8.535 1.00 0.00 C ATOM 472 CG HIS A 35 24.551 6.383 -8.797 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.066 7.657 -9.005 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.898 6.476 -8.881 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.078 8.482 -9.209 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.201 7.790 -9.138 1.00 0.00 N ATOM 0 H HIS A 35 21.888 4.074 -6.968 1.00 0.00 H new ATOM 0 HA HIS A 35 24.823 3.921 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.805 4.471 -9.329 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.624 5.525 -8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.604 5.667 -8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.000 9.542 -9.401 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.140 8.170 -9.255 1.00 0.00 H new ATOM 485 N VAL A 36 25.398 5.985 -5.922 1.00 0.00 N ATOM 486 CA VAL A 36 25.743 6.992 -4.925 1.00 0.00 C ATOM 487 C VAL A 36 26.739 8.001 -5.485 1.00 0.00 C ATOM 488 O VAL A 36 27.710 7.631 -6.145 1.00 0.00 O ATOM 489 CB VAL A 36 26.338 6.348 -3.659 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.317 5.440 -2.991 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.606 5.578 -3.999 1.00 0.00 C ATOM 0 H VAL A 36 26.194 5.621 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 36 24.819 7.506 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 36 26.598 7.141 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.756 4.994 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.439 6.023 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.023 4.651 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.013 5.129 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.373 4.794 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.341 6.259 -4.429 1.00 0.00 H new ATOM 501 N ARG A 37 26.492 9.279 -5.216 1.00 0.00 N ATOM 502 CA ARG A 37 27.367 10.343 -5.694 1.00 0.00 C ATOM 503 C ARG A 37 27.988 11.102 -4.525 1.00 0.00 C ATOM 504 O ARG A 37 27.323 11.866 -3.825 1.00 0.00 O ATOM 505 CB ARG A 37 26.588 11.311 -6.587 1.00 0.00 C ATOM 506 CG ARG A 37 27.440 11.970 -7.659 1.00 0.00 C ATOM 507 CD ARG A 37 28.280 13.100 -7.087 1.00 0.00 C ATOM 508 NE ARG A 37 28.969 13.853 -8.131 1.00 0.00 N ATOM 509 CZ ARG A 37 28.370 14.748 -8.909 1.00 0.00 C ATOM 510 NH1 ARG A 37 27.077 15.000 -8.761 1.00 0.00 N ATOM 511 NH2 ARG A 37 29.065 15.393 -9.837 1.00 0.00 N ATOM 0 H ARG A 37 25.694 9.603 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 37 28.168 9.886 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.770 10.772 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.139 12.085 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.092 11.225 -8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 37 26.797 12.357 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.641 13.774 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 37 29.013 12.691 -6.392 1.00 0.00 H new ATOM 0 HE ARG A 37 29.965 13.683 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.539 14.506 -8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 37 26.620 15.688 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 37 30.060 15.202 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 37 28.604 16.080 -10.434 1.00 0.00 H new ATOM 525 N PRO A 38 29.294 10.887 -4.307 1.00 0.00 N ATOM 526 CA PRO A 38 30.034 11.541 -3.223 1.00 0.00 C ATOM 527 C PRO A 38 30.221 13.034 -3.468 1.00 0.00 C ATOM 528 O PRO A 38 30.793 13.441 -4.480 1.00 0.00 O ATOM 529 CB PRO A 38 31.386 10.824 -3.235 1.00 0.00 C ATOM 530 CG PRO A 38 31.537 10.321 -4.629 1.00 0.00 C ATOM 531 CD PRO A 38 30.149 9.989 -5.102 1.00 0.00 C ATOM 0 HA PRO A 38 29.508 11.473 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.196 11.503 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.407 10.006 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.997 11.075 -5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.180 9.442 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.035 10.168 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.904 8.941 -4.926 1.00 0.00 H new ATOM 539 N LEU A 39 29.735 13.846 -2.535 1.00 0.00 N ATOM 540 CA LEU A 39 29.849 15.296 -2.649 1.00 0.00 C ATOM 541 C LEU A 39 30.710 15.865 -1.526 1.00 0.00 C ATOM 542 O LEU A 39 30.817 15.274 -0.451 1.00 0.00 O ATOM 543 CB LEU A 39 28.462 15.940 -2.620 1.00 0.00 C ATOM 544 CG LEU A 39 27.758 16.080 -3.970 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.920 14.846 -4.265 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.894 17.333 -3.994 1.00 0.00 C ATOM 0 H LEU A 39 29.259 13.525 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 39 30.329 15.524 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.824 15.352 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.553 16.931 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 39 28.517 16.172 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.426 14.964 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.564 13.967 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.168 14.722 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.401 17.416 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.142 17.271 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.520 18.210 -3.829 1.00 0.00 H new ATOM 558 N VAL A 40 31.322 17.017 -1.781 1.00 0.00 N ATOM 559 CA VAL A 40 32.171 17.668 -0.791 1.00 0.00 C ATOM 560 C VAL A 40 31.695 17.365 0.625 1.00 0.00 C ATOM 561 O VAL A 40 32.306 16.571 1.342 1.00 0.00 O ATOM 562 CB VAL A 40 32.203 19.194 -0.995 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.084 19.855 0.055 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.685 19.534 -2.397 1.00 0.00 C ATOM 0 H VAL A 40 31.245 17.519 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 40 33.177 17.270 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 40 31.190 19.580 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.094 20.933 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.690 19.639 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.099 19.467 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.701 20.616 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.689 19.136 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 32.010 19.093 -3.131 1.00 0.00 H new ATOM 574 N THR A 41 30.599 18.002 1.024 1.00 0.00 N ATOM 575 CA THR A 41 30.040 17.803 2.355 1.00 0.00 C ATOM 576 C THR A 41 28.653 17.173 2.280 1.00 0.00 C ATOM 577 O THR A 41 27.832 17.349 3.180 1.00 0.00 O ATOM 578 CB THR A 41 29.947 19.130 3.131 1.00 0.00 C ATOM 579 OG1 THR A 41 29.252 20.107 2.348 1.00 0.00 O ATOM 580 CG2 THR A 41 31.332 19.648 3.485 1.00 0.00 C ATOM 0 H THR A 41 30.080 18.661 0.443 1.00 0.00 H new ATOM 0 HA THR A 41 30.715 17.129 2.883 1.00 0.00 H new ATOM 0 HB THR A 41 29.398 18.948 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.195 20.947 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.241 20.586 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.847 18.914 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.902 19.815 2.571 1.00 0.00 H new ATOM 588 N SER A 42 28.400 16.438 1.202 1.00 0.00 N ATOM 589 CA SER A 42 27.111 15.784 1.009 1.00 0.00 C ATOM 590 C SER A 42 27.264 14.518 0.171 1.00 0.00 C ATOM 591 O SER A 42 28.373 14.148 -0.216 1.00 0.00 O ATOM 592 CB SER A 42 26.126 16.740 0.333 1.00 0.00 C ATOM 593 OG SER A 42 26.761 17.484 -0.693 1.00 0.00 O ATOM 0 H SER A 42 29.070 16.280 0.449 1.00 0.00 H new ATOM 0 HA SER A 42 26.723 15.506 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.294 16.174 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.708 17.421 1.075 1.00 0.00 H new ATOM 0 HG SER A 42 26.111 18.086 -1.111 1.00 0.00 H new ATOM 599 N ILE A 43 26.144 13.859 -0.104 1.00 0.00 N ATOM 600 CA ILE A 43 26.153 12.635 -0.896 1.00 0.00 C ATOM 601 C ILE A 43 24.770 12.341 -1.469 1.00 0.00 C ATOM 602 O ILE A 43 23.809 12.138 -0.727 1.00 0.00 O ATOM 603 CB ILE A 43 26.618 11.427 -0.061 1.00 0.00 C ATOM 604 CG1 ILE A 43 28.038 11.656 0.460 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.550 10.153 -0.889 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.645 10.435 1.115 1.00 0.00 C ATOM 0 H ILE A 43 25.219 14.152 0.210 1.00 0.00 H new ATOM 0 HA ILE A 43 26.856 12.793 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 43 25.951 11.317 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.674 11.968 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 43 28.025 12.475 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.882 9.308 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.523 9.985 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.196 10.251 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.652 10.670 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 43 28.031 10.134 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.690 9.620 0.393 1.00 0.00 H new ATOM 618 N VAL A 44 24.678 12.318 -2.795 1.00 0.00 N ATOM 619 CA VAL A 44 23.414 12.045 -3.468 1.00 0.00 C ATOM 620 C VAL A 44 23.190 10.546 -3.630 1.00 0.00 C ATOM 621 O VAL A 44 23.788 9.907 -4.496 1.00 0.00 O ATOM 622 CB VAL A 44 23.362 12.714 -4.855 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.103 12.298 -5.601 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.435 14.227 -4.719 1.00 0.00 C ATOM 0 H VAL A 44 25.463 12.485 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 44 22.625 12.461 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 44 24.225 12.382 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.083 12.780 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.097 11.216 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.225 12.600 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.397 14.683 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.593 14.580 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.368 14.504 -4.227 1.00 0.00 H new ATOM 634 N VAL A 45 22.322 9.989 -2.791 1.00 0.00 N ATOM 635 CA VAL A 45 22.016 8.564 -2.842 1.00 0.00 C ATOM 636 C VAL A 45 20.737 8.304 -3.629 1.00 0.00 C ATOM 637 O VAL A 45 19.633 8.489 -3.118 1.00 0.00 O ATOM 638 CB VAL A 45 21.865 7.972 -1.428 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.535 6.489 -1.502 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.130 8.205 -0.615 1.00 0.00 C ATOM 0 H VAL A 45 21.818 10.503 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 45 22.853 8.078 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 45 21.040 8.479 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.432 6.088 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.600 6.351 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.336 5.963 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 23.006 7.780 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.974 7.726 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.317 9.276 -0.532 1.00 0.00 H new ATOM 650 N SER A 46 20.894 7.875 -4.877 1.00 0.00 N ATOM 651 CA SER A 46 19.751 7.592 -5.738 1.00 0.00 C ATOM 652 C SER A 46 19.498 6.090 -5.829 1.00 0.00 C ATOM 653 O SER A 46 20.435 5.296 -5.917 1.00 0.00 O ATOM 654 CB SER A 46 19.984 8.167 -7.136 1.00 0.00 C ATOM 655 OG SER A 46 19.074 7.617 -8.072 1.00 0.00 O ATOM 0 H SER A 46 21.801 7.716 -5.315 1.00 0.00 H new ATOM 0 HA SER A 46 18.872 8.065 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.873 9.251 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.006 7.959 -7.452 1.00 0.00 H new ATOM 0 HG SER A 46 19.243 8.002 -8.957 1.00 0.00 H new ATOM 661 N TRP A 47 18.226 5.709 -5.806 1.00 0.00 N ATOM 662 CA TRP A 47 17.848 4.302 -5.886 1.00 0.00 C ATOM 663 C TRP A 47 16.579 4.126 -6.711 1.00 0.00 C ATOM 664 O TRP A 47 15.805 5.067 -6.889 1.00 0.00 O ATOM 665 CB TRP A 47 17.644 3.728 -4.483 1.00 0.00 C ATOM 666 CG TRP A 47 16.482 4.335 -3.756 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.194 3.882 -3.747 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.504 5.507 -2.934 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.413 4.702 -2.969 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.193 5.705 -2.458 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.502 6.406 -2.552 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.858 6.767 -1.622 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.168 7.460 -1.723 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.855 7.633 -1.264 1.00 0.00 C ATOM 0 H TRP A 47 17.439 6.354 -5.733 1.00 0.00 H new ATOM 0 HA TRP A 47 18.656 3.761 -6.378 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.494 2.651 -4.557 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.551 3.884 -3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 47 14.841 3.008 -4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.414 4.583 -2.799 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.517 6.280 -2.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.847 6.902 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.932 8.162 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.626 8.466 -0.615 1.00 0.00 H new ATOM 685 N THR A 48 16.368 2.913 -7.213 1.00 0.00 N ATOM 686 CA THR A 48 15.192 2.614 -8.021 1.00 0.00 C ATOM 687 C THR A 48 14.441 1.406 -7.472 1.00 0.00 C ATOM 688 O THR A 48 15.022 0.510 -6.858 1.00 0.00 O ATOM 689 CB THR A 48 15.573 2.343 -9.489 1.00 0.00 C ATOM 690 OG1 THR A 48 16.579 1.327 -9.555 1.00 0.00 O ATOM 691 CG2 THR A 48 16.080 3.611 -10.159 1.00 0.00 C ATOM 0 H THR A 48 16.996 2.122 -7.074 1.00 0.00 H new ATOM 0 HA THR A 48 14.547 3.491 -7.977 1.00 0.00 H new ATOM 0 HB THR A 48 14.681 2.004 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.049 1.387 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.343 3.395 -11.195 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.301 4.373 -10.134 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.960 3.975 -9.630 1.00 0.00 H new ATOM 699 N PRO A 49 13.119 1.378 -7.697 1.00 0.00 N ATOM 700 CA PRO A 49 12.261 0.284 -7.234 1.00 0.00 C ATOM 701 C PRO A 49 12.517 -1.015 -7.991 1.00 0.00 C ATOM 702 O PRO A 49 13.129 -1.028 -9.059 1.00 0.00 O ATOM 703 CB PRO A 49 10.847 0.798 -7.516 1.00 0.00 C ATOM 704 CG PRO A 49 11.015 1.775 -8.629 1.00 0.00 C ATOM 705 CD PRO A 49 12.361 2.411 -8.422 1.00 0.00 C ATOM 0 HA PRO A 49 12.440 0.042 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.179 -0.015 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.415 1.272 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.964 1.276 -9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.223 2.524 -8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.835 2.666 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.285 3.333 -7.845 1.00 0.00 H new ATOM 713 N PRO A 50 12.037 -2.134 -7.428 1.00 0.00 N ATOM 714 CA PRO A 50 12.201 -3.458 -8.034 1.00 0.00 C ATOM 715 C PRO A 50 11.369 -3.623 -9.301 1.00 0.00 C ATOM 716 O PRO A 50 10.177 -3.320 -9.315 1.00 0.00 O ATOM 717 CB PRO A 50 11.708 -4.412 -6.943 1.00 0.00 C ATOM 718 CG PRO A 50 10.764 -3.597 -6.127 1.00 0.00 C ATOM 719 CD PRO A 50 11.298 -2.192 -6.156 1.00 0.00 C ATOM 0 HA PRO A 50 13.230 -3.639 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.211 -5.282 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.535 -4.784 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.756 -3.640 -6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.708 -3.972 -5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.495 -1.456 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.948 -1.991 -5.304 1.00 0.00 H new ATOM 727 N GLU A 51 12.006 -4.104 -10.364 1.00 0.00 N ATOM 728 CA GLU A 51 11.323 -4.308 -11.636 1.00 0.00 C ATOM 729 C GLU A 51 9.898 -4.807 -11.414 1.00 0.00 C ATOM 730 O GLU A 51 8.952 -4.299 -12.015 1.00 0.00 O ATOM 731 CB GLU A 51 12.096 -5.307 -12.501 1.00 0.00 C ATOM 732 CG GLU A 51 13.487 -4.831 -12.884 1.00 0.00 C ATOM 733 CD GLU A 51 14.463 -5.976 -13.073 1.00 0.00 C ATOM 734 OE1 GLU A 51 14.654 -6.757 -12.118 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.036 -6.090 -14.177 1.00 0.00 O ATOM 0 H GLU A 51 12.993 -4.360 -10.370 1.00 0.00 H new ATOM 0 HA GLU A 51 11.278 -3.349 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.179 -6.252 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.526 -5.506 -13.409 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.428 -4.253 -13.806 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.864 -4.161 -12.111 1.00 0.00 H new ATOM 742 N ASN A 52 9.754 -5.804 -10.548 1.00 0.00 N ATOM 743 CA ASN A 52 8.445 -6.373 -10.247 1.00 0.00 C ATOM 744 C ASN A 52 7.637 -5.435 -9.355 1.00 0.00 C ATOM 745 O ASN A 52 7.635 -5.576 -8.133 1.00 0.00 O ATOM 746 CB ASN A 52 8.602 -7.734 -9.567 1.00 0.00 C ATOM 747 CG ASN A 52 7.364 -8.598 -9.711 1.00 0.00 C ATOM 748 OD1 ASN A 52 6.629 -8.490 -10.692 1.00 0.00 O ATOM 749 ND2 ASN A 52 7.127 -9.461 -8.730 1.00 0.00 N ATOM 0 H ASN A 52 10.528 -6.235 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 52 7.908 -6.504 -11.186 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.458 -8.255 -9.996 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.817 -7.586 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.308 -10.068 -8.772 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.764 -9.517 -7.935 1.00 0.00 H new ATOM 756 N GLN A 53 6.952 -4.481 -9.977 1.00 0.00 N ATOM 757 CA GLN A 53 6.140 -3.520 -9.239 1.00 0.00 C ATOM 758 C GLN A 53 5.069 -4.231 -8.418 1.00 0.00 C ATOM 759 O GLN A 53 4.707 -3.783 -7.331 1.00 0.00 O ATOM 760 CB GLN A 53 5.487 -2.527 -10.201 1.00 0.00 C ATOM 761 CG GLN A 53 6.415 -1.405 -10.639 1.00 0.00 C ATOM 762 CD GLN A 53 6.386 -0.221 -9.692 1.00 0.00 C ATOM 763 OE1 GLN A 53 5.559 0.680 -9.832 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.292 -0.217 -8.721 1.00 0.00 N ATOM 0 H GLN A 53 6.943 -4.353 -10.989 1.00 0.00 H new ATOM 0 HA GLN A 53 6.794 -2.977 -8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.138 -3.064 -11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.608 -2.095 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.434 -1.787 -10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.132 -1.073 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.959 -0.985 -8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.321 0.554 -8.054 1.00 0.00 H new ATOM 773 N ASN A 54 4.564 -5.341 -8.947 1.00 0.00 N ATOM 774 CA ASN A 54 3.533 -6.113 -8.263 1.00 0.00 C ATOM 775 C ASN A 54 3.760 -6.108 -6.755 1.00 0.00 C ATOM 776 O ASN A 54 2.815 -5.982 -5.975 1.00 0.00 O ATOM 777 CB ASN A 54 3.514 -7.551 -8.783 1.00 0.00 C ATOM 778 CG ASN A 54 3.242 -7.624 -10.273 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.166 -7.592 -11.087 1.00 0.00 O ATOM 780 ND2 ASN A 54 1.969 -7.723 -10.638 1.00 0.00 N ATOM 0 H ASN A 54 4.852 -5.726 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 54 2.569 -5.647 -8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.472 -8.025 -8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.751 -8.117 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.725 -7.776 -11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.236 -7.746 -9.929 1.00 0.00 H new ATOM 787 N ILE A 55 5.018 -6.246 -6.351 1.00 0.00 N ATOM 788 CA ILE A 55 5.369 -6.256 -4.936 1.00 0.00 C ATOM 789 C ILE A 55 5.128 -4.891 -4.300 1.00 0.00 C ATOM 790 O ILE A 55 5.728 -3.893 -4.700 1.00 0.00 O ATOM 791 CB ILE A 55 6.842 -6.655 -4.725 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.128 -8.003 -5.390 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.167 -6.712 -3.240 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.601 -8.268 -5.608 1.00 0.00 C ATOM 0 H ILE A 55 5.811 -6.352 -6.983 1.00 0.00 H new ATOM 0 HA ILE A 55 4.728 -6.996 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 55 7.478 -5.900 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.711 -8.799 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.614 -8.042 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.211 -6.995 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.997 -5.733 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.526 -7.449 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.729 -9.241 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.019 -7.493 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.118 -8.262 -4.648 1.00 0.00 H new ATOM 806 N VAL A 56 4.246 -4.855 -3.306 1.00 0.00 N ATOM 807 CA VAL A 56 3.927 -3.613 -2.612 1.00 0.00 C ATOM 808 C VAL A 56 5.123 -3.108 -1.813 1.00 0.00 C ATOM 809 O VAL A 56 5.479 -3.677 -0.781 1.00 0.00 O ATOM 810 CB VAL A 56 2.728 -3.794 -1.663 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.450 -2.506 -0.903 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.498 -4.241 -2.437 1.00 0.00 C ATOM 0 H VAL A 56 3.740 -5.672 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 56 3.669 -2.880 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 56 2.975 -4.570 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.599 -2.653 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.327 -2.233 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.224 -1.708 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.661 -4.364 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.246 -3.490 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.704 -5.190 -2.931 1.00 0.00 H new ATOM 822 N VAL A 57 5.740 -2.034 -2.297 1.00 0.00 N ATOM 823 CA VAL A 57 6.895 -1.450 -1.626 1.00 0.00 C ATOM 824 C VAL A 57 6.518 -0.161 -0.904 1.00 0.00 C ATOM 825 O VAL A 57 6.262 0.864 -1.535 1.00 0.00 O ATOM 826 CB VAL A 57 8.031 -1.153 -2.623 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.238 -0.575 -1.901 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.410 -2.411 -3.389 1.00 0.00 C ATOM 0 H VAL A 57 5.459 -1.551 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 57 7.242 -2.183 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 57 7.677 -0.412 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.030 -0.372 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.954 0.352 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.596 -1.290 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.214 -2.183 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.745 -3.176 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.543 -2.777 -3.939 1.00 0.00 H new ATOM 838 N ARG A 58 6.486 -0.221 0.423 1.00 0.00 N ATOM 839 CA ARG A 58 6.139 0.941 1.232 1.00 0.00 C ATOM 840 C ARG A 58 7.259 1.977 1.204 1.00 0.00 C ATOM 841 O ARG A 58 7.032 3.144 0.889 1.00 0.00 O ATOM 842 CB ARG A 58 5.857 0.518 2.675 1.00 0.00 C ATOM 843 CG ARG A 58 4.825 -0.591 2.794 1.00 0.00 C ATOM 844 CD ARG A 58 3.449 -0.123 2.347 1.00 0.00 C ATOM 845 NE ARG A 58 2.707 0.510 3.433 1.00 0.00 N ATOM 846 CZ ARG A 58 2.787 1.805 3.721 1.00 0.00 C ATOM 847 NH1 ARG A 58 3.573 2.599 3.007 1.00 0.00 N ATOM 848 NH2 ARG A 58 2.081 2.307 4.725 1.00 0.00 N ATOM 0 H ARG A 58 6.696 -1.062 0.961 1.00 0.00 H new ATOM 0 HA ARG A 58 5.240 1.391 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.788 0.188 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.512 1.385 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.134 -1.444 2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.776 -0.934 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.556 0.582 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.882 -0.973 1.968 1.00 0.00 H new ATOM 0 HE ARG A 58 2.094 -0.073 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.118 2.216 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.632 3.592 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.476 1.699 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.143 3.301 4.945 1.00 0.00 H new ATOM 862 N GLY A 59 8.470 1.540 1.538 1.00 0.00 N ATOM 863 CA GLY A 59 9.608 2.442 1.545 1.00 0.00 C ATOM 864 C GLY A 59 10.930 1.706 1.624 1.00 0.00 C ATOM 865 O GLY A 59 10.965 0.475 1.616 1.00 0.00 O ATOM 0 H GLY A 59 8.683 0.579 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.589 3.053 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.523 3.122 2.392 1.00 0.00 H new ATOM 869 N TYR A 60 12.022 2.460 1.698 1.00 0.00 N ATOM 870 CA TYR A 60 13.353 1.871 1.774 1.00 0.00 C ATOM 871 C TYR A 60 14.148 2.470 2.931 1.00 0.00 C ATOM 872 O TYR A 60 13.794 3.521 3.463 1.00 0.00 O ATOM 873 CB TYR A 60 14.105 2.087 0.459 1.00 0.00 C ATOM 874 CG TYR A 60 13.231 1.947 -0.767 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.551 3.040 -1.289 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.087 0.720 -1.405 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.752 2.916 -2.409 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.291 0.588 -2.526 1.00 0.00 C ATOM 879 CZ TYR A 60 11.625 1.688 -3.024 1.00 0.00 C ATOM 880 OH TYR A 60 10.830 1.561 -4.140 1.00 0.00 O ATOM 0 H TYR A 60 12.011 3.480 1.707 1.00 0.00 H new ATOM 0 HA TYR A 60 13.240 0.801 1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.552 3.081 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.923 1.370 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.649 4.003 -0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.606 -0.144 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.230 3.776 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.191 -0.372 -3.010 1.00 0.00 H new ATOM 0 HH TYR A 60 10.850 0.632 -4.452 1.00 0.00 H new ATOM 890 N ALA A 61 15.225 1.792 3.313 1.00 0.00 N ATOM 891 CA ALA A 61 16.073 2.256 4.404 1.00 0.00 C ATOM 892 C ALA A 61 17.478 2.579 3.908 1.00 0.00 C ATOM 893 O ALA A 61 18.128 1.749 3.271 1.00 0.00 O ATOM 894 CB ALA A 61 16.128 1.213 5.510 1.00 0.00 C ATOM 0 H ALA A 61 15.531 0.919 2.883 1.00 0.00 H new ATOM 0 HA ALA A 61 15.638 3.172 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.765 1.573 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.123 1.034 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.536 0.283 5.113 1.00 0.00 H new ATOM 900 N ILE A 62 17.942 3.789 4.204 1.00 0.00 N ATOM 901 CA ILE A 62 19.270 4.220 3.788 1.00 0.00 C ATOM 902 C ILE A 62 20.222 4.292 4.977 1.00 0.00 C ATOM 903 O ILE A 62 19.970 5.008 5.946 1.00 0.00 O ATOM 904 CB ILE A 62 19.225 5.596 3.097 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.226 5.576 1.938 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.610 5.986 2.603 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.647 6.936 1.617 1.00 0.00 C ATOM 0 H ILE A 62 17.417 4.488 4.730 1.00 0.00 H new ATOM 0 HA ILE A 62 19.634 3.478 3.078 1.00 0.00 H new ATOM 0 HB ILE A 62 18.897 6.340 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.720 5.181 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.413 4.892 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.562 6.960 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.297 6.035 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.965 5.242 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.947 6.847 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.124 7.325 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.451 7.618 1.342 1.00 0.00 H new ATOM 919 N GLY A 63 21.320 3.546 4.896 1.00 0.00 N ATOM 920 CA GLY A 63 22.295 3.541 5.971 1.00 0.00 C ATOM 921 C GLY A 63 23.632 4.112 5.544 1.00 0.00 C ATOM 922 O GLY A 63 24.273 3.592 4.629 1.00 0.00 O ATOM 0 H GLY A 63 21.551 2.945 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.908 4.119 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.436 2.520 6.325 1.00 0.00 H new ATOM 926 N TYR A 64 24.055 5.183 6.205 1.00 0.00 N ATOM 927 CA TYR A 64 25.324 5.827 5.885 1.00 0.00 C ATOM 928 C TYR A 64 26.194 5.965 7.131 1.00 0.00 C ATOM 929 O TYR A 64 25.687 6.116 8.242 1.00 0.00 O ATOM 930 CB TYR A 64 25.079 7.204 5.266 1.00 0.00 C ATOM 931 CG TYR A 64 24.300 8.142 6.161 1.00 0.00 C ATOM 932 CD1 TYR A 64 22.935 7.975 6.355 1.00 0.00 C ATOM 933 CD2 TYR A 64 24.931 9.194 6.813 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.219 8.829 7.171 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.224 10.052 7.633 1.00 0.00 C ATOM 936 CZ TYR A 64 22.868 9.866 7.809 1.00 0.00 C ATOM 937 OH TYR A 64 22.160 10.720 8.624 1.00 0.00 O ATOM 0 H TYR A 64 23.538 5.624 6.966 1.00 0.00 H new ATOM 0 HA TYR A 64 25.849 5.200 5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.039 7.660 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.540 7.080 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.424 7.163 5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 64 25.992 9.344 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.157 8.686 7.309 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.730 10.864 8.134 1.00 0.00 H new ATOM 0 HH TYR A 64 22.766 11.394 8.997 1.00 0.00 H new ATOM 947 N GLY A 65 27.508 5.914 6.936 1.00 0.00 N ATOM 948 CA GLY A 65 28.429 6.035 8.051 1.00 0.00 C ATOM 949 C GLY A 65 29.864 5.758 7.650 1.00 0.00 C ATOM 950 O GLY A 65 30.117 5.058 6.669 1.00 0.00 O ATOM 0 H GLY A 65 27.951 5.791 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.359 7.039 8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.135 5.341 8.838 1.00 0.00 H new ATOM 954 N ILE A 66 30.805 6.308 8.410 1.00 0.00 N ATOM 955 CA ILE A 66 32.222 6.117 8.127 1.00 0.00 C ATOM 956 C ILE A 66 32.588 4.636 8.128 1.00 0.00 C ATOM 957 O ILE A 66 32.552 3.978 9.167 1.00 0.00 O ATOM 958 CB ILE A 66 33.105 6.852 9.153 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.842 8.359 9.097 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.575 6.556 8.896 1.00 0.00 C ATOM 961 CD1 ILE A 66 32.936 8.937 7.702 1.00 0.00 C ATOM 0 H ILE A 66 30.612 6.889 9.226 1.00 0.00 H new ATOM 0 HA ILE A 66 32.405 6.534 7.137 1.00 0.00 H new ATOM 0 HB ILE A 66 32.852 6.494 10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 66 31.850 8.562 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.558 8.869 9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.186 7.083 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.750 5.484 8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.843 6.889 7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.738 10.008 7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 66 33.936 8.766 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.201 8.454 7.058 1.00 0.00 H new ATOM 973 N GLY A 67 32.942 4.119 6.956 1.00 0.00 N ATOM 974 CA GLY A 67 33.311 2.720 6.844 1.00 0.00 C ATOM 975 C GLY A 67 32.378 1.810 7.618 1.00 0.00 C ATOM 976 O GLY A 67 32.755 0.701 7.997 1.00 0.00 O ATOM 0 H GLY A 67 32.980 4.644 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.308 2.430 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.329 2.586 7.209 1.00 0.00 H new ATOM 980 N SER A 68 31.157 2.279 7.853 1.00 0.00 N ATOM 981 CA SER A 68 30.169 1.502 8.592 1.00 0.00 C ATOM 982 C SER A 68 28.780 2.120 8.456 1.00 0.00 C ATOM 983 O SER A 68 28.490 3.184 9.003 1.00 0.00 O ATOM 984 CB SER A 68 30.558 1.415 10.069 1.00 0.00 C ATOM 985 OG SER A 68 31.770 0.699 10.235 1.00 0.00 O ATOM 0 H SER A 68 30.828 3.193 7.542 1.00 0.00 H new ATOM 0 HA SER A 68 30.144 0.497 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.666 2.419 10.480 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.762 0.925 10.630 1.00 0.00 H new ATOM 0 HG SER A 68 31.978 0.212 9.410 1.00 0.00 H new ATOM 991 N PRO A 69 27.900 1.436 7.710 1.00 0.00 N ATOM 992 CA PRO A 69 26.527 1.897 7.484 1.00 0.00 C ATOM 993 C PRO A 69 25.673 1.812 8.744 1.00 0.00 C ATOM 994 O PRO A 69 24.595 2.403 8.816 1.00 0.00 O ATOM 995 CB PRO A 69 26.001 0.936 6.415 1.00 0.00 C ATOM 996 CG PRO A 69 26.817 -0.299 6.582 1.00 0.00 C ATOM 997 CD PRO A 69 28.178 0.161 7.028 1.00 0.00 C ATOM 0 HA PRO A 69 26.493 2.945 7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.940 0.731 6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.116 1.354 5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 69 26.369 -0.966 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.880 -0.855 5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.646 -0.560 7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.853 0.296 6.183 1.00 0.00 H new ATOM 1005 N HIS A 70 26.161 1.074 9.736 1.00 0.00 N ATOM 1006 CA HIS A 70 25.442 0.913 10.994 1.00 0.00 C ATOM 1007 C HIS A 70 25.651 2.124 11.899 1.00 0.00 C ATOM 1008 O HIS A 70 25.865 1.982 13.102 1.00 0.00 O ATOM 1009 CB HIS A 70 25.901 -0.358 11.710 1.00 0.00 C ATOM 1010 CG HIS A 70 27.356 -0.353 12.063 1.00 0.00 C ATOM 1011 ND1 HIS A 70 27.896 0.478 13.021 1.00 0.00 N ATOM 1012 CD2 HIS A 70 28.387 -1.087 11.581 1.00 0.00 C ATOM 1013 CE1 HIS A 70 29.195 0.257 13.112 1.00 0.00 C ATOM 1014 NE2 HIS A 70 29.518 -0.688 12.249 1.00 0.00 N ATOM 0 H HIS A 70 27.051 0.578 9.693 1.00 0.00 H new ATOM 0 HA HIS A 70 24.379 0.830 10.767 1.00 0.00 H new ATOM 0 HB2 HIS A 70 25.315 -0.484 12.620 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.692 -1.219 11.075 1.00 0.00 H new ATOM 0 HD1 HIS A 70 27.374 1.158 13.574 1.00 0.00 H new ATOM 0 HD2 HIS A 70 28.330 -1.845 10.814 1.00 0.00 H new ATOM 0 HE1 HIS A 70 29.877 0.763 13.779 1.00 0.00 H new ATOM 1023 N ALA A 71 25.588 3.314 11.310 1.00 0.00 N ATOM 1024 CA ALA A 71 25.769 4.549 12.063 1.00 0.00 C ATOM 1025 C ALA A 71 24.474 5.351 12.121 1.00 0.00 C ATOM 1026 O ALA A 71 24.145 5.941 13.150 1.00 0.00 O ATOM 1027 CB ALA A 71 26.882 5.383 11.447 1.00 0.00 C ATOM 0 H ALA A 71 25.413 3.449 10.314 1.00 0.00 H new ATOM 0 HA ALA A 71 26.049 4.287 13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.007 6.302 12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.813 4.816 11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.625 5.629 10.417 1.00 0.00 H new ATOM 1033 N GLN A 72 23.744 5.369 11.011 1.00 0.00 N ATOM 1034 CA GLN A 72 22.485 6.101 10.936 1.00 0.00 C ATOM 1035 C GLN A 72 21.515 5.421 9.976 1.00 0.00 C ATOM 1036 O GLN A 72 21.923 4.643 9.112 1.00 0.00 O ATOM 1037 CB GLN A 72 22.735 7.543 10.491 1.00 0.00 C ATOM 1038 CG GLN A 72 23.296 8.431 11.590 1.00 0.00 C ATOM 1039 CD GLN A 72 22.387 8.504 12.802 1.00 0.00 C ATOM 1040 OE1 GLN A 72 21.241 8.944 12.706 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.895 8.073 13.950 1.00 0.00 N ATOM 0 H GLN A 72 24.002 4.885 10.151 1.00 0.00 H new ATOM 0 HA GLN A 72 22.038 6.107 11.930 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.428 7.540 9.649 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.799 7.971 10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.272 8.053 11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.452 9.435 11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.850 7.716 13.983 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.330 8.098 14.799 1.00 0.00 H new ATOM 1050 N THR A 73 20.229 5.718 10.132 1.00 0.00 N ATOM 1051 CA THR A 73 19.201 5.133 9.280 1.00 0.00 C ATOM 1052 C THR A 73 18.128 6.159 8.931 1.00 0.00 C ATOM 1053 O THR A 73 17.718 6.955 9.777 1.00 0.00 O ATOM 1054 CB THR A 73 18.535 3.920 9.955 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.533 2.978 10.364 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.552 3.246 9.009 1.00 0.00 C ATOM 0 H THR A 73 19.874 6.360 10.841 1.00 0.00 H new ATOM 0 HA THR A 73 19.697 4.804 8.367 1.00 0.00 H new ATOM 0 HB THR A 73 17.989 4.273 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.102 2.210 10.794 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.094 2.392 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.777 3.957 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.080 2.906 8.118 1.00 0.00 H new ATOM 1064 N ILE A 74 17.676 6.134 7.682 1.00 0.00 N ATOM 1065 CA ILE A 74 16.649 7.060 7.223 1.00 0.00 C ATOM 1066 C ILE A 74 15.546 6.328 6.467 1.00 0.00 C ATOM 1067 O ILE A 74 15.746 5.875 5.340 1.00 0.00 O ATOM 1068 CB ILE A 74 17.242 8.153 6.314 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.317 8.942 7.063 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.144 9.082 5.817 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.120 9.864 6.172 1.00 0.00 C ATOM 0 H ILE A 74 18.005 5.482 6.970 1.00 0.00 H new ATOM 0 HA ILE A 74 16.227 7.528 8.112 1.00 0.00 H new ATOM 0 HB ILE A 74 17.705 7.675 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.843 9.531 7.849 1.00 0.00 H new ATOM 0 HG13 ILE A 74 18.994 8.243 7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.579 9.849 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.411 8.508 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.655 9.555 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.863 10.391 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.622 9.279 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.454 10.587 5.702 1.00 0.00 H new ATOM 1083 N LYS A 75 14.379 6.217 7.093 1.00 0.00 N ATOM 1084 CA LYS A 75 13.242 5.543 6.479 1.00 0.00 C ATOM 1085 C LYS A 75 12.345 6.540 5.753 1.00 0.00 C ATOM 1086 O LYS A 75 11.692 7.374 6.380 1.00 0.00 O ATOM 1087 CB LYS A 75 12.433 4.793 7.540 1.00 0.00 C ATOM 1088 CG LYS A 75 13.109 3.526 8.037 1.00 0.00 C ATOM 1089 CD LYS A 75 12.097 2.529 8.576 1.00 0.00 C ATOM 1090 CE LYS A 75 12.718 1.154 8.770 1.00 0.00 C ATOM 1091 NZ LYS A 75 11.683 0.099 8.949 1.00 0.00 N ATOM 0 H LYS A 75 14.196 6.586 8.026 1.00 0.00 H new ATOM 0 HA LYS A 75 13.626 4.829 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.256 5.457 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.457 4.536 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.673 3.070 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.825 3.777 8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.701 2.888 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.255 2.455 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.339 0.911 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.374 1.171 9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.146 -0.823 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.106 0.317 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.073 0.065 8.108 1.00 0.00 H new ATOM 1105 N VAL A 76 12.317 6.449 4.427 1.00 0.00 N ATOM 1106 CA VAL A 76 11.499 7.341 3.616 1.00 0.00 C ATOM 1107 C VAL A 76 10.443 6.564 2.838 1.00 0.00 C ATOM 1108 O VAL A 76 10.464 5.333 2.803 1.00 0.00 O ATOM 1109 CB VAL A 76 12.360 8.148 2.625 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.323 9.057 3.372 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.112 7.213 1.690 1.00 0.00 C ATOM 0 H VAL A 76 12.852 5.765 3.892 1.00 0.00 H new ATOM 0 HA VAL A 76 11.007 8.030 4.303 1.00 0.00 H new ATOM 0 HB VAL A 76 11.701 8.774 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.923 9.619 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.759 9.750 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.979 8.454 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.715 7.799 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.761 6.560 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.399 6.609 1.129 1.00 0.00 H new ATOM 1121 N ASP A 77 9.521 7.290 2.215 1.00 0.00 N ATOM 1122 CA ASP A 77 8.456 6.668 1.436 1.00 0.00 C ATOM 1123 C ASP A 77 8.965 6.246 0.062 1.00 0.00 C ATOM 1124 O ASP A 77 10.007 6.714 -0.397 1.00 0.00 O ATOM 1125 CB ASP A 77 7.278 7.632 1.283 1.00 0.00 C ATOM 1126 CG ASP A 77 5.949 6.909 1.181 1.00 0.00 C ATOM 1127 OD1 ASP A 77 5.775 5.885 1.875 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.082 7.368 0.408 1.00 0.00 O ATOM 0 H ASP A 77 9.489 8.309 2.234 1.00 0.00 H new ATOM 0 HA ASP A 77 8.121 5.778 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.255 8.311 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.425 8.243 0.393 1.00 0.00 H new ATOM 1133 N TYR A 78 8.223 5.357 -0.591 1.00 0.00 N ATOM 1134 CA TYR A 78 8.601 4.868 -1.911 1.00 0.00 C ATOM 1135 C TYR A 78 8.871 6.028 -2.865 1.00 0.00 C ATOM 1136 O TYR A 78 9.914 6.082 -3.517 1.00 0.00 O ATOM 1137 CB TYR A 78 7.500 3.972 -2.480 1.00 0.00 C ATOM 1138 CG TYR A 78 6.147 4.643 -2.547 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.323 4.704 -1.430 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.692 5.217 -3.728 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.086 5.315 -1.488 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.457 5.831 -3.795 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.657 5.878 -2.672 1.00 0.00 C ATOM 1144 OH TYR A 78 2.426 6.489 -2.732 1.00 0.00 O ATOM 0 H TYR A 78 7.356 4.961 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 78 9.517 4.286 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.786 3.650 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.421 3.074 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.656 4.266 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.315 5.182 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.457 5.352 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.119 6.272 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 78 2.276 6.835 -3.637 1.00 0.00 H new ATOM 1154 N LYS A 79 7.923 6.957 -2.940 1.00 0.00 N ATOM 1155 CA LYS A 79 8.057 8.118 -3.811 1.00 0.00 C ATOM 1156 C LYS A 79 9.507 8.587 -3.874 1.00 0.00 C ATOM 1157 O LYS A 79 10.087 8.695 -4.954 1.00 0.00 O ATOM 1158 CB LYS A 79 7.162 9.257 -3.318 1.00 0.00 C ATOM 1159 CG LYS A 79 5.688 8.892 -3.262 1.00 0.00 C ATOM 1160 CD LYS A 79 4.922 9.812 -2.326 1.00 0.00 C ATOM 1161 CE LYS A 79 3.674 9.135 -1.779 1.00 0.00 C ATOM 1162 NZ LYS A 79 3.280 9.687 -0.453 1.00 0.00 N ATOM 0 H LYS A 79 7.054 6.928 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 79 7.744 7.827 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.490 9.562 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.290 10.118 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.259 8.950 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.580 7.860 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.567 10.111 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.641 10.722 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.853 9.263 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.852 8.064 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.245 9.649 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.720 9.124 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.599 10.674 -0.379 1.00 0.00 H new ATOM 1176 N GLN A 80 10.086 8.863 -2.710 1.00 0.00 N ATOM 1177 CA GLN A 80 11.468 9.320 -2.634 1.00 0.00 C ATOM 1178 C GLN A 80 12.368 8.486 -3.541 1.00 0.00 C ATOM 1179 O GLN A 80 12.661 7.328 -3.245 1.00 0.00 O ATOM 1180 CB GLN A 80 11.973 9.249 -1.191 1.00 0.00 C ATOM 1181 CG GLN A 80 11.445 10.366 -0.307 1.00 0.00 C ATOM 1182 CD GLN A 80 11.370 11.697 -1.030 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.353 12.158 -1.610 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.199 12.322 -0.999 1.00 0.00 N ATOM 0 H GLN A 80 9.619 8.778 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 80 11.500 10.356 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.685 8.290 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.062 9.283 -1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.453 10.098 0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.088 10.467 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.410 11.903 -0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.088 13.221 -1.468 1.00 0.00 H new ATOM 1193 N ARG A 81 12.801 9.083 -4.646 1.00 0.00 N ATOM 1194 CA ARG A 81 13.665 8.395 -5.598 1.00 0.00 C ATOM 1195 C ARG A 81 15.112 8.390 -5.113 1.00 0.00 C ATOM 1196 O ARG A 81 15.828 7.402 -5.274 1.00 0.00 O ATOM 1197 CB ARG A 81 13.579 9.062 -6.972 1.00 0.00 C ATOM 1198 CG ARG A 81 13.809 8.103 -8.129 1.00 0.00 C ATOM 1199 CD ARG A 81 15.292 7.893 -8.392 1.00 0.00 C ATOM 1200 NE ARG A 81 15.546 7.424 -9.752 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.575 8.224 -10.812 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.367 9.526 -10.669 1.00 0.00 N ATOM 1203 NH2 ARG A 81 15.812 7.723 -12.017 1.00 0.00 N ATOM 0 H ARG A 81 12.568 10.042 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 81 13.323 7.363 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.597 9.523 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.315 9.864 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.338 7.145 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.331 8.493 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.826 8.829 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.688 7.169 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 81 15.710 6.428 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.184 9.915 -9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.390 10.139 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.972 6.722 -12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.834 8.339 -12.830 1.00 0.00 H new ATOM 1217 N TYR A 82 15.535 9.501 -4.518 1.00 0.00 N ATOM 1218 CA TYR A 82 16.897 9.625 -4.012 1.00 0.00 C ATOM 1219 C TYR A 82 16.926 10.438 -2.721 1.00 0.00 C ATOM 1220 O TYR A 82 15.927 11.043 -2.332 1.00 0.00 O ATOM 1221 CB TYR A 82 17.795 10.283 -5.062 1.00 0.00 C ATOM 1222 CG TYR A 82 17.590 11.775 -5.185 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.476 12.293 -5.835 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.510 12.669 -4.650 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.285 13.656 -5.951 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.326 14.034 -4.760 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.213 14.522 -5.411 1.00 0.00 C ATOM 1228 OH TYR A 82 17.026 15.881 -5.523 1.00 0.00 O ATOM 0 H TYR A 82 14.955 10.327 -4.375 1.00 0.00 H new ATOM 0 HA TYR A 82 17.271 8.624 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.837 10.088 -4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.608 9.818 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.747 11.618 -6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.383 12.290 -4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.415 14.041 -6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 82 19.050 14.715 -4.338 1.00 0.00 H new ATOM 0 HH TYR A 82 17.769 16.350 -5.089 1.00 0.00 H new ATOM 1238 N TYR A 83 18.079 10.446 -2.062 1.00 0.00 N ATOM 1239 CA TYR A 83 18.240 11.182 -0.813 1.00 0.00 C ATOM 1240 C TYR A 83 19.604 11.862 -0.753 1.00 0.00 C ATOM 1241 O TYR A 83 20.635 11.237 -1.010 1.00 0.00 O ATOM 1242 CB TYR A 83 18.072 10.243 0.382 1.00 0.00 C ATOM 1243 CG TYR A 83 17.814 10.963 1.686 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.865 11.360 2.504 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.518 11.248 2.101 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.633 12.017 3.697 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.277 11.906 3.291 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.338 12.288 4.086 1.00 0.00 C ATOM 1249 OH TYR A 83 17.103 12.944 5.273 1.00 0.00 O ATOM 0 H TYR A 83 18.916 9.952 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 83 17.469 11.952 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.246 9.561 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.970 9.634 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.881 11.151 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.685 10.950 1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.461 12.317 4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.264 12.120 3.598 1.00 0.00 H new ATOM 0 HH TYR A 83 16.138 13.058 5.398 1.00 0.00 H new ATOM 1259 N THR A 84 19.604 13.146 -0.411 1.00 0.00 N ATOM 1260 CA THR A 84 20.841 13.912 -0.317 1.00 0.00 C ATOM 1261 C THR A 84 21.251 14.118 1.136 1.00 0.00 C ATOM 1262 O THR A 84 20.645 14.912 1.856 1.00 0.00 O ATOM 1263 CB THR A 84 20.703 15.287 -0.999 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.291 15.119 -2.360 1.00 0.00 O ATOM 1265 CG2 THR A 84 22.020 16.048 -0.953 1.00 0.00 C ATOM 0 H THR A 84 18.761 13.678 -0.194 1.00 0.00 H new ATOM 0 HA THR A 84 21.610 13.335 -0.830 1.00 0.00 H new ATOM 0 HB THR A 84 19.950 15.862 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.204 15.997 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.898 17.015 -1.440 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.317 16.199 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.789 15.475 -1.471 1.00 0.00 H new ATOM 1273 N ILE A 85 22.283 13.398 1.562 1.00 0.00 N ATOM 1274 CA ILE A 85 22.775 13.503 2.930 1.00 0.00 C ATOM 1275 C ILE A 85 23.661 14.733 3.103 1.00 0.00 C ATOM 1276 O ILE A 85 24.659 14.894 2.402 1.00 0.00 O ATOM 1277 CB ILE A 85 23.571 12.250 3.340 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.723 10.992 3.139 1.00 0.00 C ATOM 1279 CG2 ILE A 85 24.027 12.362 4.788 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.520 9.709 3.213 1.00 0.00 C ATOM 0 H ILE A 85 22.795 12.735 0.979 1.00 0.00 H new ATOM 0 HA ILE A 85 21.900 13.595 3.573 1.00 0.00 H new ATOM 0 HB ILE A 85 24.454 12.175 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.939 10.967 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.229 11.048 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.588 11.469 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.663 13.240 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 85 23.157 12.458 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.855 8.858 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 85 24.287 9.712 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.993 9.630 4.192 1.00 0.00 H new ATOM 1292 N GLU A 86 23.288 15.597 4.042 1.00 0.00 N ATOM 1293 CA GLU A 86 24.049 16.812 4.307 1.00 0.00 C ATOM 1294 C GLU A 86 24.758 16.726 5.656 1.00 0.00 C ATOM 1295 O GLU A 86 24.726 15.692 6.321 1.00 0.00 O ATOM 1296 CB GLU A 86 23.129 18.033 4.280 1.00 0.00 C ATOM 1297 CG GLU A 86 22.626 18.386 2.890 1.00 0.00 C ATOM 1298 CD GLU A 86 22.083 19.799 2.806 1.00 0.00 C ATOM 1299 OE1 GLU A 86 22.735 20.717 3.347 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.007 19.987 2.201 1.00 0.00 O ATOM 0 H GLU A 86 22.464 15.478 4.631 1.00 0.00 H new ATOM 0 HA GLU A 86 24.802 16.916 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.274 17.848 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.663 18.889 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.439 18.270 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.845 17.683 2.601 1.00 0.00 H new ATOM 1307 N ASN A 87 25.399 17.821 6.051 1.00 0.00 N ATOM 1308 CA ASN A 87 26.118 17.870 7.320 1.00 0.00 C ATOM 1309 C ASN A 87 27.011 16.644 7.486 1.00 0.00 C ATOM 1310 O ASN A 87 27.006 15.997 8.534 1.00 0.00 O ATOM 1311 CB ASN A 87 25.131 17.958 8.486 1.00 0.00 C ATOM 1312 CG ASN A 87 23.854 17.183 8.222 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.703 16.045 8.667 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.929 17.797 7.495 1.00 0.00 N ATOM 0 H ASN A 87 25.436 18.686 5.512 1.00 0.00 H new ATOM 0 HA ASN A 87 26.748 18.759 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.605 17.575 9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.886 19.004 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.050 17.325 7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 87 23.097 18.741 7.147 1.00 0.00 H new ATOM 1321 N LEU A 88 27.778 16.332 6.447 1.00 0.00 N ATOM 1322 CA LEU A 88 28.678 15.185 6.478 1.00 0.00 C ATOM 1323 C LEU A 88 30.127 15.634 6.641 1.00 0.00 C ATOM 1324 O LEU A 88 30.428 16.826 6.587 1.00 0.00 O ATOM 1325 CB LEU A 88 28.529 14.360 5.198 1.00 0.00 C ATOM 1326 CG LEU A 88 27.356 13.380 5.164 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.275 12.691 3.811 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.486 12.354 6.280 1.00 0.00 C ATOM 0 H LEU A 88 27.794 16.857 5.573 1.00 0.00 H new ATOM 0 HA LEU A 88 28.410 14.567 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.428 15.046 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.450 13.799 5.042 1.00 0.00 H new ATOM 0 HG LEU A 88 26.434 13.941 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.434 11.997 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.134 13.438 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.199 12.143 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.643 11.665 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.415 11.798 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.493 12.863 7.244 1.00 0.00 H new ATOM 1340 N ASP A 89 31.020 14.671 6.839 1.00 0.00 N ATOM 1341 CA ASP A 89 32.438 14.966 7.007 1.00 0.00 C ATOM 1342 C ASP A 89 33.205 14.700 5.715 1.00 0.00 C ATOM 1343 O ASP A 89 33.306 13.566 5.247 1.00 0.00 O ATOM 1344 CB ASP A 89 33.024 14.128 8.145 1.00 0.00 C ATOM 1345 CG ASP A 89 32.420 14.476 9.491 1.00 0.00 C ATOM 1346 OD1 ASP A 89 32.769 15.543 10.040 1.00 0.00 O ATOM 1347 OD2 ASP A 89 31.598 13.683 9.994 1.00 0.00 O ATOM 0 H ASP A 89 30.787 13.679 6.887 1.00 0.00 H new ATOM 0 HA ASP A 89 32.537 16.022 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.857 13.071 7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.103 14.278 8.184 1.00 0.00 H new ATOM 1352 N PRO A 90 33.759 15.769 5.125 1.00 0.00 N ATOM 1353 CA PRO A 90 34.526 15.677 3.879 1.00 0.00 C ATOM 1354 C PRO A 90 35.863 14.970 4.072 1.00 0.00 C ATOM 1355 O PRO A 90 36.348 14.835 5.196 1.00 0.00 O ATOM 1356 CB PRO A 90 34.747 17.140 3.489 1.00 0.00 C ATOM 1357 CG PRO A 90 34.672 17.890 4.774 1.00 0.00 C ATOM 1358 CD PRO A 90 33.679 17.151 5.627 1.00 0.00 C ATOM 0 HA PRO A 90 34.003 15.094 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.714 17.279 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 90 33.987 17.482 2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.647 17.933 5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.354 18.919 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 90 33.936 17.210 6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.674 17.560 5.520 1.00 0.00 H new ATOM 1366 N SER A 91 36.454 14.520 2.970 1.00 0.00 N ATOM 1367 CA SER A 91 37.734 13.823 3.019 1.00 0.00 C ATOM 1368 C SER A 91 37.633 12.561 3.870 1.00 0.00 C ATOM 1369 O SER A 91 38.473 12.314 4.736 1.00 0.00 O ATOM 1370 CB SER A 91 38.819 14.745 3.580 1.00 0.00 C ATOM 1371 OG SER A 91 39.477 15.449 2.542 1.00 0.00 O ATOM 0 H SER A 91 36.067 14.626 2.032 1.00 0.00 H new ATOM 0 HA SER A 91 38.002 13.534 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.373 15.453 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.545 14.157 4.142 1.00 0.00 H new ATOM 0 HG SER A 91 40.164 16.032 2.927 1.00 0.00 H new ATOM 1377 N SER A 92 36.599 11.765 3.617 1.00 0.00 N ATOM 1378 CA SER A 92 36.385 10.530 4.361 1.00 0.00 C ATOM 1379 C SER A 92 35.539 9.549 3.555 1.00 0.00 C ATOM 1380 O SER A 92 34.714 9.952 2.734 1.00 0.00 O ATOM 1381 CB SER A 92 35.705 10.827 5.699 1.00 0.00 C ATOM 1382 OG SER A 92 36.662 11.107 6.707 1.00 0.00 O ATOM 0 H SER A 92 35.896 11.954 2.902 1.00 0.00 H new ATOM 0 HA SER A 92 37.358 10.075 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 92 35.031 11.676 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.096 9.974 5.998 1.00 0.00 H new ATOM 0 HG SER A 92 37.448 11.532 6.303 1.00 0.00 H new ATOM 1388 N HIS A 93 35.749 8.259 3.795 1.00 0.00 N ATOM 1389 CA HIS A 93 35.006 7.219 3.092 1.00 0.00 C ATOM 1390 C HIS A 93 33.683 6.928 3.795 1.00 0.00 C ATOM 1391 O HIS A 93 33.646 6.721 5.008 1.00 0.00 O ATOM 1392 CB HIS A 93 35.840 5.941 2.999 1.00 0.00 C ATOM 1393 CG HIS A 93 35.032 4.721 2.678 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.367 3.459 3.122 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.898 4.576 1.953 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.474 2.590 2.683 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.572 3.242 1.971 1.00 0.00 N ATOM 0 H HIS A 93 36.428 7.908 4.471 1.00 0.00 H new ATOM 0 HA HIS A 93 34.791 7.577 2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.606 6.071 2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.358 5.785 3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 93 36.177 3.232 3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.352 5.363 1.454 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.480 1.527 2.874 1.00 0.00 H new ATOM 1406 N TYR A 94 32.601 6.913 3.025 1.00 0.00 N ATOM 1407 CA TYR A 94 31.276 6.650 3.574 1.00 0.00 C ATOM 1408 C TYR A 94 30.615 5.473 2.863 1.00 0.00 C ATOM 1409 O TYR A 94 30.619 5.393 1.634 1.00 0.00 O ATOM 1410 CB TYR A 94 30.395 7.894 3.454 1.00 0.00 C ATOM 1411 CG TYR A 94 30.523 8.843 4.623 1.00 0.00 C ATOM 1412 CD1 TYR A 94 29.754 8.674 5.768 1.00 0.00 C ATOM 1413 CD2 TYR A 94 31.413 9.910 4.583 1.00 0.00 C ATOM 1414 CE1 TYR A 94 29.868 9.539 6.839 1.00 0.00 C ATOM 1415 CE2 TYR A 94 31.534 10.779 5.650 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.759 10.589 6.776 1.00 0.00 C ATOM 1417 OH TYR A 94 30.876 11.454 7.840 1.00 0.00 O ATOM 0 H TYR A 94 32.615 7.080 2.019 1.00 0.00 H new ATOM 0 HA TYR A 94 31.391 6.395 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.653 8.424 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.354 7.584 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 94 29.055 7.852 5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 94 32.020 10.062 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 94 29.262 9.393 7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 94 32.231 11.602 5.603 1.00 0.00 H new ATOM 0 HH TYR A 94 30.675 10.978 8.672 1.00 0.00 H new ATOM 1427 N VAL A 95 30.047 4.560 3.645 1.00 0.00 N ATOM 1428 CA VAL A 95 29.379 3.388 3.091 1.00 0.00 C ATOM 1429 C VAL A 95 27.865 3.560 3.105 1.00 0.00 C ATOM 1430 O VAL A 95 27.277 3.892 4.135 1.00 0.00 O ATOM 1431 CB VAL A 95 29.747 2.112 3.871 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.990 0.913 3.322 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.249 1.873 3.823 1.00 0.00 C ATOM 0 H VAL A 95 30.036 4.609 4.664 1.00 0.00 H new ATOM 0 HA VAL A 95 29.720 3.287 2.061 1.00 0.00 H new ATOM 0 HB VAL A 95 29.457 2.248 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.263 0.021 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.918 1.086 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.246 0.771 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.491 0.967 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.566 1.758 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.767 2.722 4.269 1.00 0.00 H new ATOM 1443 N ILE A 96 27.239 3.333 1.955 1.00 0.00 N ATOM 1444 CA ILE A 96 25.792 3.461 1.835 1.00 0.00 C ATOM 1445 C ILE A 96 25.139 2.107 1.578 1.00 0.00 C ATOM 1446 O ILE A 96 25.681 1.272 0.853 1.00 0.00 O ATOM 1447 CB ILE A 96 25.404 4.429 0.702 1.00 0.00 C ATOM 1448 CG1 ILE A 96 26.013 5.811 0.951 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.891 4.525 0.581 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.478 5.900 0.586 1.00 0.00 C ATOM 0 H ILE A 96 27.711 3.060 1.093 1.00 0.00 H new ATOM 0 HA ILE A 96 25.432 3.861 2.783 1.00 0.00 H new ATOM 0 HB ILE A 96 25.800 4.042 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.458 6.553 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.893 6.068 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.633 5.213 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.480 3.539 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.474 4.891 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.843 6.907 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.045 5.182 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.603 5.675 -0.473 1.00 0.00 H new ATOM 1462 N THR A 97 23.970 1.897 2.175 1.00 0.00 N ATOM 1463 CA THR A 97 23.242 0.645 2.010 1.00 0.00 C ATOM 1464 C THR A 97 21.743 0.893 1.888 1.00 0.00 C ATOM 1465 O THR A 97 21.169 1.678 2.644 1.00 0.00 O ATOM 1466 CB THR A 97 23.498 -0.313 3.189 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.045 0.281 4.410 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.977 -0.650 3.301 1.00 0.00 C ATOM 0 H THR A 97 23.507 2.578 2.777 1.00 0.00 H new ATOM 0 HA THR A 97 23.607 0.185 1.092 1.00 0.00 H new ATOM 0 HB THR A 97 22.945 -1.234 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.210 -0.335 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.133 -1.328 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.312 -1.129 2.381 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.547 0.265 3.462 1.00 0.00 H new ATOM 1476 N LEU A 98 21.113 0.219 0.932 1.00 0.00 N ATOM 1477 CA LEU A 98 19.678 0.365 0.711 1.00 0.00 C ATOM 1478 C LEU A 98 18.987 -0.995 0.703 1.00 0.00 C ATOM 1479 O LEU A 98 19.478 -1.950 0.101 1.00 0.00 O ATOM 1480 CB LEU A 98 19.417 1.090 -0.611 1.00 0.00 C ATOM 1481 CG LEU A 98 17.974 1.066 -1.116 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.169 2.191 -0.486 1.00 0.00 C ATOM 1483 CD2 LEU A 98 17.939 1.167 -2.634 1.00 0.00 C ATOM 0 H LEU A 98 21.573 -0.434 0.298 1.00 0.00 H new ATOM 0 HA LEU A 98 19.267 0.956 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.724 2.130 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.056 0.649 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 98 17.523 0.118 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.145 2.158 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.166 2.074 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.618 3.150 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.904 1.148 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.408 2.100 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.480 0.325 -3.067 1.00 0.00 H new ATOM 1495 N LYS A 99 17.843 -1.075 1.375 1.00 0.00 N ATOM 1496 CA LYS A 99 17.081 -2.316 1.444 1.00 0.00 C ATOM 1497 C LYS A 99 15.586 -2.044 1.311 1.00 0.00 C ATOM 1498 O LYS A 99 15.056 -1.122 1.931 1.00 0.00 O ATOM 1499 CB LYS A 99 17.364 -3.040 2.762 1.00 0.00 C ATOM 1500 CG LYS A 99 16.903 -2.271 3.989 1.00 0.00 C ATOM 1501 CD LYS A 99 16.923 -3.143 5.233 1.00 0.00 C ATOM 1502 CE LYS A 99 18.267 -3.072 5.942 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.313 -3.961 7.135 1.00 0.00 N ATOM 0 H LYS A 99 17.423 -0.294 1.880 1.00 0.00 H new ATOM 0 HA LYS A 99 17.392 -2.951 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.871 -4.012 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.435 -3.227 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.547 -1.405 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.894 -1.893 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.134 -2.825 5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.710 -4.176 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.059 -3.354 5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.462 -2.044 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.245 -3.884 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.574 -3.676 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.152 -4.945 6.841 1.00 0.00 H new ATOM 1517 N ALA A 100 14.912 -2.853 0.501 1.00 0.00 N ATOM 1518 CA ALA A 100 13.477 -2.702 0.290 1.00 0.00 C ATOM 1519 C ALA A 100 12.685 -3.343 1.424 1.00 0.00 C ATOM 1520 O ALA A 100 12.953 -4.479 1.817 1.00 0.00 O ATOM 1521 CB ALA A 100 13.073 -3.306 -1.046 1.00 0.00 C ATOM 0 H ALA A 100 15.336 -3.620 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 100 13.247 -1.637 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.999 -3.186 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.606 -2.799 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.324 -4.367 -1.057 1.00 0.00 H new ATOM 1527 N PHE A 101 11.710 -2.608 1.948 1.00 0.00 N ATOM 1528 CA PHE A 101 10.880 -3.105 3.039 1.00 0.00 C ATOM 1529 C PHE A 101 9.402 -2.849 2.759 1.00 0.00 C ATOM 1530 O PHE A 101 9.047 -1.898 2.063 1.00 0.00 O ATOM 1531 CB PHE A 101 11.282 -2.442 4.358 1.00 0.00 C ATOM 1532 CG PHE A 101 10.861 -1.003 4.458 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.530 -0.669 4.652 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.796 0.014 4.359 1.00 0.00 C ATOM 1535 CE1 PHE A 101 9.140 0.653 4.745 1.00 0.00 C ATOM 1536 CE2 PHE A 101 11.411 1.339 4.452 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.081 1.658 4.643 1.00 0.00 C ATOM 0 H PHE A 101 11.475 -1.666 1.635 1.00 0.00 H new ATOM 0 HA PHE A 101 11.036 -4.181 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.842 -2.999 5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.364 -2.505 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.789 -1.451 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.837 -0.230 4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.100 0.900 4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.150 2.123 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.777 2.692 4.712 1.00 0.00 H new ATOM 1547 N ASN A 102 8.545 -3.706 3.305 1.00 0.00 N ATOM 1548 CA ASN A 102 7.105 -3.574 3.112 1.00 0.00 C ATOM 1549 C ASN A 102 6.341 -4.275 4.231 1.00 0.00 C ATOM 1550 O ASN A 102 6.937 -4.790 5.176 1.00 0.00 O ATOM 1551 CB ASN A 102 6.695 -4.155 1.758 1.00 0.00 C ATOM 1552 CG ASN A 102 6.631 -5.670 1.774 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.160 -6.315 2.679 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.981 -6.245 0.769 1.00 0.00 N ATOM 0 H ASN A 102 8.822 -4.499 3.884 1.00 0.00 H new ATOM 0 HA ASN A 102 6.856 -2.513 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.721 -3.756 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.406 -3.832 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.905 -7.261 0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.558 -5.670 0.040 1.00 0.00 H new ATOM 1561 N ASN A 103 5.017 -4.290 4.116 1.00 0.00 N ATOM 1562 CA ASN A 103 4.170 -4.928 5.118 1.00 0.00 C ATOM 1563 C ASN A 103 4.675 -6.330 5.444 1.00 0.00 C ATOM 1564 O ASN A 103 4.736 -6.724 6.609 1.00 0.00 O ATOM 1565 CB ASN A 103 2.723 -4.997 4.624 1.00 0.00 C ATOM 1566 CG ASN A 103 1.735 -5.199 5.756 1.00 0.00 C ATOM 1567 OD1 ASN A 103 0.911 -4.329 6.039 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.812 -6.352 6.410 1.00 0.00 N ATOM 0 H ASN A 103 4.507 -3.868 3.340 1.00 0.00 H new ATOM 0 HA ASN A 103 4.209 -4.327 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.479 -4.077 4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.624 -5.814 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.172 -6.545 7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.511 -7.045 6.142 1.00 0.00 H new ATOM 1575 N VAL A 104 5.036 -7.079 4.407 1.00 0.00 N ATOM 1576 CA VAL A 104 5.538 -8.437 4.583 1.00 0.00 C ATOM 1577 C VAL A 104 6.812 -8.448 5.420 1.00 0.00 C ATOM 1578 O VAL A 104 6.943 -9.229 6.361 1.00 0.00 O ATOM 1579 CB VAL A 104 5.821 -9.111 3.227 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.343 -10.525 3.432 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.568 -9.116 2.364 1.00 0.00 C ATOM 0 H VAL A 104 4.990 -6.769 3.436 1.00 0.00 H new ATOM 0 HA VAL A 104 4.761 -8.997 5.103 1.00 0.00 H new ATOM 0 HB VAL A 104 6.590 -8.538 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.537 -10.985 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.267 -10.492 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.600 -11.113 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.785 -9.596 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.777 -9.665 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.243 -8.091 2.189 1.00 0.00 H new ATOM 1591 N GLY A 105 7.751 -7.575 5.069 1.00 0.00 N ATOM 1592 CA GLY A 105 9.004 -7.500 5.798 1.00 0.00 C ATOM 1593 C GLY A 105 10.081 -6.765 5.025 1.00 0.00 C ATOM 1594 O GLY A 105 9.782 -5.978 4.128 1.00 0.00 O ATOM 0 H GLY A 105 7.667 -6.918 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.837 -6.997 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.349 -8.508 6.026 1.00 0.00 H new ATOM 1598 N GLU A 106 11.338 -7.021 5.376 1.00 0.00 N ATOM 1599 CA GLU A 106 12.463 -6.375 4.710 1.00 0.00 C ATOM 1600 C GLU A 106 13.165 -7.346 3.764 1.00 0.00 C ATOM 1601 O GLU A 106 13.008 -8.561 3.875 1.00 0.00 O ATOM 1602 CB GLU A 106 13.458 -5.841 5.742 1.00 0.00 C ATOM 1603 CG GLU A 106 12.851 -4.842 6.713 1.00 0.00 C ATOM 1604 CD GLU A 106 13.821 -4.420 7.798 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.844 -3.784 7.466 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.558 -4.725 8.980 1.00 0.00 O ATOM 0 H GLU A 106 11.602 -7.670 6.117 1.00 0.00 H new ATOM 0 HA GLU A 106 12.076 -5.541 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.869 -6.679 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.291 -5.368 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.521 -3.961 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.965 -5.280 7.173 1.00 0.00 H new ATOM 1613 N GLY A 107 13.941 -6.799 2.833 1.00 0.00 N ATOM 1614 CA GLY A 107 14.656 -7.629 1.882 1.00 0.00 C ATOM 1615 C GLY A 107 16.147 -7.670 2.153 1.00 0.00 C ATOM 1616 O GLY A 107 16.575 -7.664 3.307 1.00 0.00 O ATOM 0 H GLY A 107 14.087 -5.796 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.256 -8.642 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.483 -7.252 0.874 1.00 0.00 H new ATOM 1620 N ILE A 108 16.939 -7.714 1.087 1.00 0.00 N ATOM 1621 CA ILE A 108 18.390 -7.757 1.216 1.00 0.00 C ATOM 1622 C ILE A 108 19.011 -6.400 0.899 1.00 0.00 C ATOM 1623 O ILE A 108 18.840 -5.851 -0.190 1.00 0.00 O ATOM 1624 CB ILE A 108 19.007 -8.820 0.288 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.123 -9.028 -0.944 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.197 -10.130 1.037 1.00 0.00 C ATOM 1627 CD1 ILE A 108 16.955 -9.957 -0.699 1.00 0.00 C ATOM 0 H ILE A 108 16.600 -7.721 0.125 1.00 0.00 H new ATOM 0 HA ILE A 108 18.606 -8.020 2.251 1.00 0.00 H new ATOM 0 HB ILE A 108 19.984 -8.469 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.745 -8.062 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.732 -9.429 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.634 -10.872 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.862 -9.971 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.232 -10.488 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.372 -10.058 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.326 -10.936 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.324 -9.548 0.090 1.00 0.00 H new ATOM 1639 N PRO A 109 19.750 -5.846 1.871 1.00 0.00 N ATOM 1640 CA PRO A 109 20.413 -4.548 1.719 1.00 0.00 C ATOM 1641 C PRO A 109 21.575 -4.602 0.732 1.00 0.00 C ATOM 1642 O PRO A 109 22.101 -5.676 0.436 1.00 0.00 O ATOM 1643 CB PRO A 109 20.924 -4.242 3.129 1.00 0.00 C ATOM 1644 CG PRO A 109 21.079 -5.577 3.773 1.00 0.00 C ATOM 1645 CD PRO A 109 19.996 -6.444 3.194 1.00 0.00 C ATOM 0 HA PRO A 109 19.737 -3.790 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.872 -3.704 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.220 -3.617 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.065 -5.996 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.981 -5.502 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.314 -7.483 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.099 -6.433 3.813 1.00 0.00 H new ATOM 1653 N LEU A 110 21.970 -3.439 0.227 1.00 0.00 N ATOM 1654 CA LEU A 110 23.071 -3.354 -0.727 1.00 0.00 C ATOM 1655 C LEU A 110 24.293 -2.699 -0.091 1.00 0.00 C ATOM 1656 O LEU A 110 24.197 -2.080 0.969 1.00 0.00 O ATOM 1657 CB LEU A 110 22.640 -2.565 -1.964 1.00 0.00 C ATOM 1658 CG LEU A 110 21.647 -3.264 -2.894 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.747 -2.245 -3.576 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.384 -4.103 -3.927 1.00 0.00 C ATOM 0 H LEU A 110 21.545 -2.542 0.462 1.00 0.00 H new ATOM 0 HA LEU A 110 23.340 -4.367 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.198 -1.624 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.531 -2.314 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 110 21.022 -3.927 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.047 -2.760 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.192 -1.687 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.356 -1.556 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.662 -4.593 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.033 -3.460 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.986 -4.858 -3.421 1.00 0.00 H new ATOM 1672 N TYR A 111 25.440 -2.837 -0.747 1.00 0.00 N ATOM 1673 CA TYR A 111 26.681 -2.259 -0.246 1.00 0.00 C ATOM 1674 C TYR A 111 27.285 -1.299 -1.267 1.00 0.00 C ATOM 1675 O TYR A 111 27.548 -1.675 -2.408 1.00 0.00 O ATOM 1676 CB TYR A 111 27.685 -3.363 0.088 1.00 0.00 C ATOM 1677 CG TYR A 111 27.570 -3.877 1.506 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.419 -4.520 1.942 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.614 -3.719 2.409 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.309 -4.990 3.236 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.515 -4.187 3.705 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.360 -4.822 4.114 1.00 0.00 C ATOM 1683 OH TYR A 111 27.256 -5.289 5.404 1.00 0.00 O ATOM 0 H TYR A 111 25.536 -3.344 -1.627 1.00 0.00 H new ATOM 0 HA TYR A 111 26.451 -1.700 0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.542 -4.194 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.695 -2.985 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.595 -4.655 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.519 -3.222 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.406 -5.486 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.336 -4.057 4.394 1.00 0.00 H new ATOM 0 HH TYR A 111 28.083 -5.091 5.891 1.00 0.00 H new ATOM 1693 N GLU A 112 27.503 -0.057 -0.845 1.00 0.00 N ATOM 1694 CA GLU A 112 28.076 0.957 -1.721 1.00 0.00 C ATOM 1695 C GLU A 112 29.208 1.705 -1.022 1.00 0.00 C ATOM 1696 O GLU A 112 29.383 1.593 0.192 1.00 0.00 O ATOM 1697 CB GLU A 112 26.997 1.946 -2.168 1.00 0.00 C ATOM 1698 CG GLU A 112 26.306 1.549 -3.462 1.00 0.00 C ATOM 1699 CD GLU A 112 26.085 0.052 -3.570 1.00 0.00 C ATOM 1700 OE1 GLU A 112 25.351 -0.502 -2.725 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.646 -0.564 -4.500 1.00 0.00 O ATOM 0 H GLU A 112 27.291 0.270 0.098 1.00 0.00 H new ATOM 0 HA GLU A 112 28.484 0.453 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.250 2.036 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.448 2.930 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.345 2.060 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 112 26.905 1.886 -4.308 1.00 0.00 H new ATOM 1708 N SER A 113 29.973 2.467 -1.796 1.00 0.00 N ATOM 1709 CA SER A 113 31.091 3.230 -1.252 1.00 0.00 C ATOM 1710 C SER A 113 31.206 4.588 -1.938 1.00 0.00 C ATOM 1711 O SER A 113 30.961 4.713 -3.137 1.00 0.00 O ATOM 1712 CB SER A 113 32.396 2.450 -1.418 1.00 0.00 C ATOM 1713 OG SER A 113 32.536 1.469 -0.405 1.00 0.00 O ATOM 0 H SER A 113 29.840 2.573 -2.802 1.00 0.00 H new ATOM 0 HA SER A 113 30.906 3.393 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 113 32.415 1.972 -2.397 1.00 0.00 H new ATOM 0 HB3 SER A 113 33.241 3.137 -1.382 1.00 0.00 H new ATOM 0 HG SER A 113 32.863 1.892 0.417 1.00 0.00 H new ATOM 1719 N ALA A 114 31.580 5.604 -1.166 1.00 0.00 N ATOM 1720 CA ALA A 114 31.730 6.952 -1.698 1.00 0.00 C ATOM 1721 C ALA A 114 32.695 7.773 -0.849 1.00 0.00 C ATOM 1722 O ALA A 114 32.469 7.977 0.344 1.00 0.00 O ATOM 1723 CB ALA A 114 30.376 7.642 -1.777 1.00 0.00 C ATOM 0 H ALA A 114 31.784 5.518 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 114 32.146 6.875 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.503 8.648 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.715 7.073 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.938 7.700 -0.780 1.00 0.00 H new ATOM 1729 N VAL A 115 33.772 8.242 -1.472 1.00 0.00 N ATOM 1730 CA VAL A 115 34.772 9.041 -0.774 1.00 0.00 C ATOM 1731 C VAL A 115 34.548 10.530 -1.009 1.00 0.00 C ATOM 1732 O VAL A 115 34.816 11.046 -2.095 1.00 0.00 O ATOM 1733 CB VAL A 115 36.198 8.670 -1.220 1.00 0.00 C ATOM 1734 CG1 VAL A 115 37.227 9.491 -0.458 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.446 7.181 -1.031 1.00 0.00 C ATOM 0 H VAL A 115 33.974 8.082 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 115 34.664 8.824 0.289 1.00 0.00 H new ATOM 0 HB VAL A 115 36.299 8.900 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 115 38.229 9.215 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 115 37.061 10.551 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 115 37.129 9.296 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.459 6.937 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.326 6.923 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.731 6.614 -1.627 1.00 0.00 H new ATOM 1745 N THR A 116 34.054 11.218 0.015 1.00 0.00 N ATOM 1746 CA THR A 116 33.793 12.649 -0.080 1.00 0.00 C ATOM 1747 C THR A 116 35.001 13.392 -0.639 1.00 0.00 C ATOM 1748 O THR A 116 36.143 13.082 -0.301 1.00 0.00 O ATOM 1749 CB THR A 116 33.427 13.246 1.292 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.292 12.717 2.303 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.979 12.940 1.646 1.00 0.00 C ATOM 0 H THR A 116 33.826 10.807 0.920 1.00 0.00 H new ATOM 0 HA THR A 116 32.948 12.772 -0.758 1.00 0.00 H new ATOM 0 HB THR A 116 33.551 14.328 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.926 12.924 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.743 13.371 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 116 31.321 13.369 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.834 11.860 1.683 1.00 0.00 H new ATOM 1759 N ARG A 117 34.741 14.376 -1.494 1.00 0.00 N ATOM 1760 CA ARG A 117 35.808 15.163 -2.100 1.00 0.00 C ATOM 1761 C ARG A 117 36.446 16.095 -1.074 1.00 0.00 C ATOM 1762 O ARG A 117 35.831 16.475 -0.077 1.00 0.00 O ATOM 1763 CB ARG A 117 35.265 15.978 -3.275 1.00 0.00 C ATOM 1764 CG ARG A 117 35.044 15.157 -4.535 1.00 0.00 C ATOM 1765 CD ARG A 117 34.492 16.010 -5.667 1.00 0.00 C ATOM 1766 NE ARG A 117 35.545 16.742 -6.365 1.00 0.00 N ATOM 1767 CZ ARG A 117 35.447 17.145 -7.626 1.00 0.00 C ATOM 1768 NH1 ARG A 117 34.350 16.890 -8.324 1.00 0.00 N ATOM 1769 NH2 ARG A 117 36.449 17.806 -8.192 1.00 0.00 N ATOM 0 H ARG A 117 33.801 14.647 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 117 36.570 14.475 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.322 16.439 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.960 16.788 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.986 14.704 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 117 34.353 14.341 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.963 15.373 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 117 33.764 16.716 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 117 36.403 16.955 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 117 33.577 16.383 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 117 34.278 17.201 -9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 117 37.295 18.005 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 117 36.373 18.115 -9.161 1.00 0.00 H new ATOM 1783 N PRO A 118 37.710 16.471 -1.320 1.00 0.00 N ATOM 1784 CA PRO A 118 38.459 17.362 -0.429 1.00 0.00 C ATOM 1785 C PRO A 118 37.925 18.790 -0.455 1.00 0.00 C ATOM 1786 O PRO A 118 37.971 19.462 -1.486 1.00 0.00 O ATOM 1787 CB PRO A 118 39.882 17.312 -0.992 1.00 0.00 C ATOM 1788 CG PRO A 118 39.708 16.954 -2.428 1.00 0.00 C ATOM 1789 CD PRO A 118 38.504 16.055 -2.489 1.00 0.00 C ATOM 0 HA PRO A 118 38.387 17.051 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.386 18.272 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.489 16.572 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.560 17.846 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.593 16.448 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.950 16.187 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.784 15.003 -2.431 1.00 0.00 H new ATOM 1797 N HIS A 119 37.421 19.249 0.685 1.00 0.00 N ATOM 1798 CA HIS A 119 36.879 20.599 0.793 1.00 0.00 C ATOM 1799 C HIS A 119 37.996 21.617 1.001 1.00 0.00 C ATOM 1800 O HIS A 119 37.897 22.498 1.856 1.00 0.00 O ATOM 1801 CB HIS A 119 35.879 20.679 1.947 1.00 0.00 C ATOM 1802 CG HIS A 119 35.257 22.032 2.107 1.00 0.00 C ATOM 1803 ND1 HIS A 119 34.659 22.714 1.068 1.00 0.00 N ATOM 1804 CD2 HIS A 119 35.141 22.830 3.195 1.00 0.00 C ATOM 1805 CE1 HIS A 119 34.204 23.873 1.509 1.00 0.00 C ATOM 1806 NE2 HIS A 119 34.483 23.968 2.797 1.00 0.00 N ATOM 0 H HIS A 119 37.376 18.706 1.548 1.00 0.00 H new ATOM 0 HA HIS A 119 36.366 20.834 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 119 35.091 19.943 1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 119 36.384 20.408 2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 119 35.499 22.612 4.190 1.00 0.00 H new ATOM 0 HE1 HIS A 119 33.691 24.617 0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 119 34.248 24.758 3.398 1.00 0.00 H new ATOM 1815 N THR A 120 39.060 21.490 0.214 1.00 0.00 N ATOM 1816 CA THR A 120 40.197 22.397 0.313 1.00 0.00 C ATOM 1817 C THR A 120 40.158 23.450 -0.789 1.00 0.00 C ATOM 1818 O THR A 120 41.191 23.810 -1.353 1.00 0.00 O ATOM 1819 CB THR A 120 41.533 21.635 0.233 1.00 0.00 C ATOM 1820 OG1 THR A 120 41.608 20.907 -0.998 1.00 0.00 O ATOM 1821 CG2 THR A 120 41.681 20.677 1.405 1.00 0.00 C ATOM 0 H THR A 120 39.158 20.767 -0.499 1.00 0.00 H new ATOM 0 HA THR A 120 40.126 22.888 1.284 1.00 0.00 H new ATOM 0 HB THR A 120 42.344 22.362 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 120 42.461 20.426 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 120 42.632 20.150 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 120 41.653 21.238 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 120 40.864 19.955 1.390 1.00 0.00 H new ATOM 1829 N SER A 121 38.959 23.939 -1.091 1.00 0.00 N ATOM 1830 CA SER A 121 38.786 24.949 -2.129 1.00 0.00 C ATOM 1831 C SER A 121 38.133 26.206 -1.561 1.00 0.00 C ATOM 1832 O SER A 121 37.619 26.200 -0.443 1.00 0.00 O ATOM 1833 CB SER A 121 37.937 24.393 -3.274 1.00 0.00 C ATOM 1834 OG SER A 121 38.673 23.462 -4.048 1.00 0.00 O ATOM 0 H SER A 121 38.094 23.653 -0.632 1.00 0.00 H new ATOM 0 HA SER A 121 39.772 25.214 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 121 37.046 23.912 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 121 37.597 25.211 -3.909 1.00 0.00 H new ATOM 0 HG SER A 121 38.108 23.120 -4.772 1.00 0.00 H new ATOM 1840 N GLY A 122 38.158 27.282 -2.340 1.00 0.00 N ATOM 1841 CA GLY A 122 37.566 28.532 -1.899 1.00 0.00 C ATOM 1842 C GLY A 122 38.606 29.538 -1.448 1.00 0.00 C ATOM 1843 O GLY A 122 38.666 29.920 -0.280 1.00 0.00 O ATOM 0 H GLY A 122 38.578 27.311 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 122 36.980 28.960 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 122 36.876 28.334 -1.079 1.00 0.00 H new ATOM 1847 N PRO A 123 39.451 29.984 -2.390 1.00 0.00 N ATOM 1848 CA PRO A 123 40.510 30.958 -2.107 1.00 0.00 C ATOM 1849 C PRO A 123 39.956 32.346 -1.808 1.00 0.00 C ATOM 1850 O PRO A 123 38.742 32.542 -1.755 1.00 0.00 O ATOM 1851 CB PRO A 123 41.330 30.976 -3.400 1.00 0.00 C ATOM 1852 CG PRO A 123 40.375 30.548 -4.460 1.00 0.00 C ATOM 1853 CD PRO A 123 39.437 29.572 -3.804 1.00 0.00 C ATOM 0 HA PRO A 123 41.088 30.687 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 123 41.727 31.971 -3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 123 42.182 30.299 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 123 39.830 31.402 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 123 40.901 30.083 -5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 123 38.435 29.629 -4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 123 39.777 28.544 -3.926 1.00 0.00 H new ATOM 1861 N SER A 124 40.853 33.307 -1.614 1.00 0.00 N ATOM 1862 CA SER A 124 40.453 34.678 -1.317 1.00 0.00 C ATOM 1863 C SER A 124 40.504 35.543 -2.573 1.00 0.00 C ATOM 1864 O SER A 124 40.934 36.696 -2.529 1.00 0.00 O ATOM 1865 CB SER A 124 41.359 35.273 -0.237 1.00 0.00 C ATOM 1866 OG SER A 124 40.811 36.472 0.284 1.00 0.00 O ATOM 0 H SER A 124 41.862 33.162 -1.657 1.00 0.00 H new ATOM 0 HA SER A 124 39.426 34.660 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 124 41.493 34.551 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 124 42.346 35.472 -0.655 1.00 0.00 H new ATOM 0 HG SER A 124 40.654 37.105 -0.448 1.00 0.00 H new ATOM 1872 N SER A 125 40.062 34.978 -3.692 1.00 0.00 N ATOM 1873 CA SER A 125 40.060 35.695 -4.961 1.00 0.00 C ATOM 1874 C SER A 125 38.753 36.456 -5.153 1.00 0.00 C ATOM 1875 O SER A 125 38.746 37.681 -5.270 1.00 0.00 O ATOM 1876 CB SER A 125 40.271 34.720 -6.122 1.00 0.00 C ATOM 1877 OG SER A 125 39.353 33.643 -6.056 1.00 0.00 O ATOM 0 H SER A 125 39.701 34.026 -3.745 1.00 0.00 H new ATOM 0 HA SER A 125 40.879 36.414 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 125 40.152 35.246 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 125 41.290 34.335 -6.097 1.00 0.00 H new ATOM 0 HG SER A 125 39.507 33.035 -6.809 1.00 0.00 H new ATOM 1883 N GLY A 126 37.645 35.720 -5.185 1.00 0.00 N ATOM 1884 CA GLY A 126 36.346 36.342 -5.363 1.00 0.00 C ATOM 1885 C GLY A 126 35.421 36.098 -4.188 1.00 0.00 C ATOM 1886 O GLY A 126 35.774 35.384 -3.249 1.00 0.00 O ATOM 0 H GLY A 126 37.625 34.705 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 126 36.476 37.415 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 126 35.884 35.957 -6.272 1.00 0.00 H new TER 1890 GLY A 126