USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0617 (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 53:sc= 1.16 USER MOD Single : A 6 SER OG : rot 25:sc= 1.11 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.793 K(o=-0.79,f=-0.091) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.41) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -84:sc= 1.24 USER MOD Single : A 43 SER OG : rot 114:sc= 1.12 USER MOD Single : A 45 SER OG : rot 180:sc= -0.786 USER MOD Single : A 49 CYS SG : rot 48:sc= 0.661 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= -0.226 (180deg=-0.912) USER MOD Single : A 53 TYR OH : rot -118:sc= 1.44 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.19! C(o=-3.2!,f=-8.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 25:sc= 0.0751 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.677 -4.803 -6.666 1.00 0.00 N ATOM 2 CA GLY A 1 7.865 -3.787 -6.019 1.00 0.00 C ATOM 3 C GLY A 1 8.663 -2.500 -5.806 1.00 0.00 C ATOM 4 O GLY A 1 9.618 -2.230 -6.533 1.00 0.00 O ATOM 0 H1 GLY A 1 8.197 -5.135 -7.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.602 -4.400 -6.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.814 -5.603 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.986 -3.577 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.507 -4.160 -5.059 1.00 0.00 H new ATOM 8 N SER A 2 8.243 -1.739 -4.806 1.00 0.00 N ATOM 9 CA SER A 2 8.907 -0.486 -4.488 1.00 0.00 C ATOM 10 C SER A 2 8.833 0.463 -5.686 1.00 0.00 C ATOM 11 O SER A 2 8.731 0.020 -6.829 1.00 0.00 O ATOM 12 CB SER A 2 10.364 -0.722 -4.086 1.00 0.00 C ATOM 13 OG SER A 2 10.628 -0.285 -2.756 1.00 0.00 O ATOM 0 H SER A 2 7.451 -1.966 -4.205 1.00 0.00 H new ATOM 0 HA SER A 2 8.394 -0.031 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.596 -1.783 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.021 -0.195 -4.778 1.00 0.00 H new ATOM 0 HG SER A 2 11.568 -0.454 -2.537 1.00 0.00 H new ATOM 19 N SER A 3 8.888 1.752 -5.383 1.00 0.00 N ATOM 20 CA SER A 3 8.829 2.767 -6.420 1.00 0.00 C ATOM 21 C SER A 3 7.487 2.692 -7.150 1.00 0.00 C ATOM 22 O SER A 3 7.221 1.732 -7.872 1.00 0.00 O ATOM 23 CB SER A 3 9.983 2.609 -7.413 1.00 0.00 C ATOM 24 OG SER A 3 9.828 3.452 -8.551 1.00 0.00 O ATOM 0 H SER A 3 8.973 2.116 -4.434 1.00 0.00 H new ATOM 0 HA SER A 3 8.924 3.744 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.924 2.842 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.043 1.570 -7.737 1.00 0.00 H new ATOM 0 HG SER A 3 10.585 3.323 -9.160 1.00 0.00 H new ATOM 30 N GLY A 4 6.676 3.718 -6.938 1.00 0.00 N ATOM 31 CA GLY A 4 5.367 3.781 -7.566 1.00 0.00 C ATOM 32 C GLY A 4 4.393 4.605 -6.723 1.00 0.00 C ATOM 33 O GLY A 4 4.384 5.833 -6.800 1.00 0.00 O ATOM 0 H GLY A 4 6.900 4.513 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.457 4.222 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.975 2.773 -7.699 1.00 0.00 H new ATOM 37 N SER A 5 3.594 3.897 -5.938 1.00 0.00 N ATOM 38 CA SER A 5 2.618 4.547 -5.081 1.00 0.00 C ATOM 39 C SER A 5 3.074 4.480 -3.622 1.00 0.00 C ATOM 40 O SER A 5 2.721 3.549 -2.900 1.00 0.00 O ATOM 41 CB SER A 5 1.237 3.908 -5.235 1.00 0.00 C ATOM 42 OG SER A 5 1.208 2.572 -4.739 1.00 0.00 O ATOM 0 H SER A 5 3.603 2.879 -5.878 1.00 0.00 H new ATOM 0 HA SER A 5 2.541 5.592 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.499 4.508 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.952 3.910 -6.287 1.00 0.00 H new ATOM 0 HG SER A 5 1.551 2.556 -3.821 1.00 0.00 H new ATOM 48 N SER A 6 3.852 5.479 -3.232 1.00 0.00 N ATOM 49 CA SER A 6 4.360 5.545 -1.872 1.00 0.00 C ATOM 50 C SER A 6 4.794 4.153 -1.408 1.00 0.00 C ATOM 51 O SER A 6 4.084 3.499 -0.646 1.00 0.00 O ATOM 52 CB SER A 6 3.310 6.118 -0.919 1.00 0.00 C ATOM 53 OG SER A 6 2.178 5.262 -0.793 1.00 0.00 O ATOM 0 H SER A 6 4.143 6.249 -3.834 1.00 0.00 H new ATOM 0 HA SER A 6 5.223 6.211 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.758 6.273 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.987 7.095 -1.280 1.00 0.00 H new ATOM 0 HG SER A 6 2.440 4.341 -1.001 1.00 0.00 H new ATOM 59 N GLY A 7 5.959 3.741 -1.887 1.00 0.00 N ATOM 60 CA GLY A 7 6.496 2.439 -1.531 1.00 0.00 C ATOM 61 C GLY A 7 5.465 1.335 -1.772 1.00 0.00 C ATOM 62 O GLY A 7 4.748 0.939 -0.854 1.00 0.00 O ATOM 0 H GLY A 7 6.546 4.286 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.392 2.239 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.795 2.439 -0.483 1.00 0.00 H new ATOM 66 N ASP A 8 5.421 0.871 -3.012 1.00 0.00 N ATOM 67 CA ASP A 8 4.489 -0.179 -3.386 1.00 0.00 C ATOM 68 C ASP A 8 4.640 -1.356 -2.420 1.00 0.00 C ATOM 69 O ASP A 8 5.622 -1.439 -1.685 1.00 0.00 O ATOM 70 CB ASP A 8 4.772 -0.690 -4.800 1.00 0.00 C ATOM 71 CG ASP A 8 3.999 0.023 -5.911 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.318 1.206 -6.156 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.106 -0.632 -6.491 1.00 0.00 O ATOM 0 H ASP A 8 6.016 1.203 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 8 3.482 0.235 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.839 -0.591 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.537 -1.754 -4.840 1.00 0.00 H new ATOM 78 N LYS A 9 3.651 -2.237 -2.452 1.00 0.00 N ATOM 79 CA LYS A 9 3.661 -3.406 -1.589 1.00 0.00 C ATOM 80 C LYS A 9 2.735 -4.475 -2.173 1.00 0.00 C ATOM 81 O LYS A 9 2.157 -5.272 -1.435 1.00 0.00 O ATOM 82 CB LYS A 9 3.315 -3.013 -0.151 1.00 0.00 C ATOM 83 CG LYS A 9 2.157 -2.014 -0.119 1.00 0.00 C ATOM 84 CD LYS A 9 0.819 -2.718 -0.354 1.00 0.00 C ATOM 85 CE LYS A 9 0.488 -3.666 0.800 1.00 0.00 C ATOM 86 NZ LYS A 9 -0.683 -3.171 1.557 1.00 0.00 N ATOM 0 H LYS A 9 2.837 -2.165 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 9 4.661 -3.839 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.048 -3.903 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.190 -2.577 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.139 -1.503 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.309 -1.251 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.027 -1.976 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.857 -3.277 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.282 -4.663 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.348 -3.754 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.894 -3.826 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.473 -2.229 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.505 -3.110 0.923 1.00 0.00 H new ATOM 100 N GLU A 10 2.622 -4.457 -3.493 1.00 0.00 N ATOM 101 CA GLU A 10 1.776 -5.414 -4.185 1.00 0.00 C ATOM 102 C GLU A 10 2.609 -6.599 -4.678 1.00 0.00 C ATOM 103 O GLU A 10 3.837 -6.527 -4.715 1.00 0.00 O ATOM 104 CB GLU A 10 1.030 -4.750 -5.343 1.00 0.00 C ATOM 105 CG GLU A 10 -0.155 -3.928 -4.832 1.00 0.00 C ATOM 106 CD GLU A 10 -0.112 -2.501 -5.385 1.00 0.00 C ATOM 107 OE1 GLU A 10 -0.014 -2.376 -6.625 1.00 0.00 O ATOM 108 OE2 GLU A 10 -0.178 -1.569 -4.555 1.00 0.00 O ATOM 0 H GLU A 10 3.103 -3.794 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 10 1.031 -5.785 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.712 -4.106 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.676 -5.512 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.089 -4.408 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.140 -3.900 -3.742 1.00 0.00 H new ATOM 115 N TRP A 11 1.909 -7.662 -5.045 1.00 0.00 N ATOM 116 CA TRP A 11 2.568 -8.861 -5.533 1.00 0.00 C ATOM 117 C TRP A 11 2.324 -8.954 -7.041 1.00 0.00 C ATOM 118 O TRP A 11 1.619 -8.123 -7.611 1.00 0.00 O ATOM 119 CB TRP A 11 2.089 -10.100 -4.773 1.00 0.00 C ATOM 120 CG TRP A 11 2.662 -10.223 -3.360 1.00 0.00 C ATOM 121 CD1 TRP A 11 3.088 -9.240 -2.554 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.856 -11.443 -2.614 1.00 0.00 C ATOM 123 NE1 TRP A 11 3.541 -9.736 -1.348 1.00 0.00 N ATOM 124 CE2 TRP A 11 3.395 -11.118 -1.386 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.585 -12.777 -2.966 1.00 0.00 C ATOM 126 CZ2 TRP A 11 3.709 -12.072 -0.410 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.905 -13.718 -1.980 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.448 -13.407 -0.739 1.00 0.00 C ATOM 0 H TRP A 11 0.891 -7.718 -5.014 1.00 0.00 H new ATOM 0 HA TRP A 11 3.642 -8.809 -5.356 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.001 -10.078 -4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.359 -10.990 -5.342 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.078 -8.192 -2.815 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.914 -9.189 -0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.163 -13.054 -3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.130 -11.793 0.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.717 -14.759 -2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.668 -14.193 -0.031 1.00 0.00 H new ATOM 139 N ASN A 12 2.921 -9.972 -7.644 1.00 0.00 N ATOM 140 CA ASN A 12 2.777 -10.184 -9.074 1.00 0.00 C ATOM 141 C ASN A 12 2.016 -11.488 -9.318 1.00 0.00 C ATOM 142 O ASN A 12 2.111 -12.424 -8.525 1.00 0.00 O ATOM 143 CB ASN A 12 4.143 -10.299 -9.754 1.00 0.00 C ATOM 144 CG ASN A 12 5.203 -10.802 -8.772 1.00 0.00 C ATOM 145 OD1 ASN A 12 5.382 -10.274 -7.686 1.00 0.00 O ATOM 146 ND2 ASN A 12 5.895 -11.849 -9.212 1.00 0.00 N ATOM 0 H ASN A 12 3.506 -10.659 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 12 2.238 -9.332 -9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.075 -10.980 -10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.440 -9.327 -10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.626 -12.258 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.695 -12.243 -10.131 1.00 0.00 H new ATOM 153 N GLU A 13 1.278 -11.508 -10.418 1.00 0.00 N ATOM 154 CA GLU A 13 0.501 -12.682 -10.776 1.00 0.00 C ATOM 155 C GLU A 13 1.325 -13.952 -10.556 1.00 0.00 C ATOM 156 O GLU A 13 0.773 -15.013 -10.266 1.00 0.00 O ATOM 157 CB GLU A 13 0.007 -12.593 -12.222 1.00 0.00 C ATOM 158 CG GLU A 13 -1.474 -12.964 -12.320 1.00 0.00 C ATOM 159 CD GLU A 13 -2.219 -12.004 -13.249 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.189 -12.260 -14.472 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.803 -11.036 -12.715 1.00 0.00 O ATOM 0 H GLU A 13 1.202 -10.730 -11.073 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.375 -12.724 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.158 -11.582 -12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.595 -13.260 -12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.573 -13.984 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.925 -12.939 -11.328 1.00 0.00 H new ATOM 168 N LYS A 14 2.633 -13.803 -10.701 1.00 0.00 N ATOM 169 CA LYS A 14 3.539 -14.924 -10.521 1.00 0.00 C ATOM 170 C LYS A 14 3.436 -15.432 -9.081 1.00 0.00 C ATOM 171 O LYS A 14 3.340 -16.636 -8.849 1.00 0.00 O ATOM 172 CB LYS A 14 4.960 -14.538 -10.936 1.00 0.00 C ATOM 173 CG LYS A 14 5.519 -15.525 -11.962 1.00 0.00 C ATOM 174 CD LYS A 14 7.044 -15.610 -11.868 1.00 0.00 C ATOM 175 CE LYS A 14 7.632 -16.304 -13.098 1.00 0.00 C ATOM 176 NZ LYS A 14 9.099 -16.116 -13.147 1.00 0.00 N ATOM 0 H LYS A 14 3.087 -12.922 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 14 3.255 -15.750 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.959 -13.532 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.606 -14.516 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.086 -16.511 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.230 -15.214 -12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.463 -14.608 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.326 -16.156 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.396 -17.368 -13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.177 -15.901 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.482 -16.593 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.317 -15.100 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.530 -16.522 -12.292 1.00 0.00 H new ATOM 190 N GLU A 15 3.460 -14.488 -8.152 1.00 0.00 N ATOM 191 CA GLU A 15 3.371 -14.824 -6.741 1.00 0.00 C ATOM 192 C GLU A 15 1.947 -15.261 -6.389 1.00 0.00 C ATOM 193 O GLU A 15 1.743 -16.350 -5.855 1.00 0.00 O ATOM 194 CB GLU A 15 3.815 -13.649 -5.868 1.00 0.00 C ATOM 195 CG GLU A 15 5.261 -13.253 -6.176 1.00 0.00 C ATOM 196 CD GLU A 15 6.014 -14.405 -6.844 1.00 0.00 C ATOM 197 OE1 GLU A 15 6.198 -15.435 -6.160 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.390 -14.229 -8.023 1.00 0.00 O ATOM 0 H GLU A 15 3.540 -13.490 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 15 4.046 -15.656 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.157 -12.797 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.724 -13.918 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.272 -12.380 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.768 -12.968 -5.254 1.00 0.00 H new ATOM 205 N LEU A 16 1.000 -14.389 -6.702 1.00 0.00 N ATOM 206 CA LEU A 16 -0.398 -14.672 -6.425 1.00 0.00 C ATOM 207 C LEU A 16 -0.691 -16.139 -6.745 1.00 0.00 C ATOM 208 O LEU A 16 -0.939 -16.937 -5.843 1.00 0.00 O ATOM 209 CB LEU A 16 -1.301 -13.688 -7.171 1.00 0.00 C ATOM 210 CG LEU A 16 -1.421 -12.290 -6.560 1.00 0.00 C ATOM 211 CD1 LEU A 16 -2.009 -12.358 -5.149 1.00 0.00 C ATOM 212 CD2 LEU A 16 -0.074 -11.564 -6.585 1.00 0.00 C ATOM 0 H LEU A 16 1.173 -13.486 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.613 -14.528 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.929 -13.586 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.299 -14.121 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.112 -11.708 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.084 -11.352 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.001 -12.808 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.362 -12.963 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.187 -10.573 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.657 -12.134 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.268 -11.467 -7.615 1.00 0.00 H new ATOM 224 N GLN A 17 -0.651 -16.450 -8.033 1.00 0.00 N ATOM 225 CA GLN A 17 -0.909 -17.807 -8.483 1.00 0.00 C ATOM 226 C GLN A 17 -0.152 -18.809 -7.609 1.00 0.00 C ATOM 227 O GLN A 17 -0.684 -19.863 -7.264 1.00 0.00 O ATOM 228 CB GLN A 17 -0.537 -17.975 -9.958 1.00 0.00 C ATOM 229 CG GLN A 17 0.982 -18.005 -10.140 1.00 0.00 C ATOM 230 CD GLN A 17 1.353 -18.243 -11.605 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.786 -17.665 -12.518 1.00 0.00 O ATOM 232 NE2 GLN A 17 2.336 -19.122 -11.778 1.00 0.00 N ATOM 0 H GLN A 17 -0.444 -15.785 -8.779 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.977 -18.005 -8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.971 -18.897 -10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.960 -17.156 -10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.411 -17.062 -9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.411 -18.792 -9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.768 -19.570 -10.970 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.658 -19.348 -12.719 1.00 0.00 H new ATOM 241 N LYS A 18 1.078 -18.445 -7.276 1.00 0.00 N ATOM 242 CA LYS A 18 1.913 -19.299 -6.449 1.00 0.00 C ATOM 243 C LYS A 18 1.305 -19.398 -5.049 1.00 0.00 C ATOM 244 O LYS A 18 1.345 -20.456 -4.424 1.00 0.00 O ATOM 245 CB LYS A 18 3.361 -18.803 -6.458 1.00 0.00 C ATOM 246 CG LYS A 18 4.108 -19.316 -7.690 1.00 0.00 C ATOM 247 CD LYS A 18 5.621 -19.157 -7.520 1.00 0.00 C ATOM 248 CE LYS A 18 6.197 -18.219 -8.582 1.00 0.00 C ATOM 249 NZ LYS A 18 6.935 -18.989 -9.608 1.00 0.00 N ATOM 0 H LYS A 18 1.516 -17.570 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 18 1.944 -20.310 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.376 -17.713 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.870 -19.138 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.865 -20.366 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.778 -18.769 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.840 -18.765 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.103 -20.132 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.392 -17.654 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.863 -17.495 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.320 -18.337 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.715 -19.509 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.290 -19.663 -10.067 1.00 0.00 H new ATOM 263 N LEU A 19 0.757 -18.279 -4.596 1.00 0.00 N ATOM 264 CA LEU A 19 0.142 -18.226 -3.281 1.00 0.00 C ATOM 265 C LEU A 19 -1.157 -19.034 -3.298 1.00 0.00 C ATOM 266 O LEU A 19 -1.353 -19.919 -2.466 1.00 0.00 O ATOM 267 CB LEU A 19 -0.042 -16.775 -2.833 1.00 0.00 C ATOM 268 CG LEU A 19 -0.849 -16.565 -1.551 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.115 -17.144 -0.340 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.198 -15.088 -1.358 1.00 0.00 C ATOM 0 H LEU A 19 0.726 -17.402 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 19 0.794 -18.684 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.944 -16.331 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.529 -16.226 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.789 -17.108 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.710 -16.981 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.039 -18.213 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.851 -16.650 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.772 -14.967 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.281 -14.503 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.791 -14.741 -2.204 1.00 0.00 H new ATOM 282 N HIS A 20 -2.012 -18.699 -4.253 1.00 0.00 N ATOM 283 CA HIS A 20 -3.287 -19.382 -4.389 1.00 0.00 C ATOM 284 C HIS A 20 -3.047 -20.857 -4.717 1.00 0.00 C ATOM 285 O HIS A 20 -3.560 -21.741 -4.031 1.00 0.00 O ATOM 286 CB HIS A 20 -4.172 -18.681 -5.423 1.00 0.00 C ATOM 287 CG HIS A 20 -4.522 -17.257 -5.066 1.00 0.00 C ATOM 288 ND1 HIS A 20 -5.825 -16.791 -5.031 1.00 0.00 N ATOM 289 CD2 HIS A 20 -3.727 -16.201 -4.729 1.00 0.00 C ATOM 290 CE1 HIS A 20 -5.803 -15.512 -4.688 1.00 0.00 C ATOM 291 NE2 HIS A 20 -4.502 -15.148 -4.502 1.00 0.00 N ATOM 0 H HIS A 20 -1.847 -17.963 -4.940 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.829 -19.339 -3.444 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.663 -18.689 -6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -5.093 -19.251 -5.544 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -6.660 -17.340 -5.235 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.649 -16.219 -4.659 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.664 -14.870 -4.575 1.00 0.00 H new ATOM 299 N CYS A 21 -2.268 -21.078 -5.765 1.00 0.00 N ATOM 300 CA CYS A 21 -1.954 -22.431 -6.192 1.00 0.00 C ATOM 301 C CYS A 21 -1.577 -23.250 -4.956 1.00 0.00 C ATOM 302 O CYS A 21 -2.330 -24.126 -4.534 1.00 0.00 O ATOM 303 CB CYS A 21 -0.846 -22.448 -7.248 1.00 0.00 C ATOM 304 SG CYS A 21 -0.522 -24.167 -7.786 1.00 0.00 S ATOM 0 H CYS A 21 -1.845 -20.343 -6.331 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.827 -22.876 -6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.138 -21.839 -8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.064 -22.008 -6.840 1.00 0.00 H new ATOM 0 HG CYS A 21 0.418 -24.171 -8.684 1.00 0.00 H new ATOM 310 N ALA A 22 -0.411 -22.935 -4.410 1.00 0.00 N ATOM 311 CA ALA A 22 0.075 -23.630 -3.231 1.00 0.00 C ATOM 312 C ALA A 22 -1.044 -23.702 -2.189 1.00 0.00 C ATOM 313 O ALA A 22 -1.360 -24.779 -1.686 1.00 0.00 O ATOM 314 CB ALA A 22 1.322 -22.923 -2.699 1.00 0.00 C ATOM 0 H ALA A 22 0.211 -22.208 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 22 0.361 -24.652 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.686 -23.445 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.096 -22.925 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.073 -21.895 -2.437 1.00 0.00 H new ATOM 320 N PHE A 23 -1.612 -22.541 -1.897 1.00 0.00 N ATOM 321 CA PHE A 23 -2.688 -22.459 -0.924 1.00 0.00 C ATOM 322 C PHE A 23 -3.786 -23.478 -1.234 1.00 0.00 C ATOM 323 O PHE A 23 -4.457 -23.969 -0.327 1.00 0.00 O ATOM 324 CB PHE A 23 -3.275 -21.049 -1.024 1.00 0.00 C ATOM 325 CG PHE A 23 -4.657 -20.903 -0.385 1.00 0.00 C ATOM 326 CD1 PHE A 23 -4.767 -20.563 0.927 1.00 0.00 C ATOM 327 CD2 PHE A 23 -5.776 -21.115 -1.129 1.00 0.00 C ATOM 328 CE1 PHE A 23 -6.050 -20.427 1.520 1.00 0.00 C ATOM 329 CE2 PHE A 23 -7.059 -20.979 -0.536 1.00 0.00 C ATOM 330 CZ PHE A 23 -7.169 -20.638 0.776 1.00 0.00 C ATOM 0 H PHE A 23 -1.347 -21.650 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.304 -22.670 0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.590 -20.347 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.341 -20.768 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.879 -20.396 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.689 -21.387 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.137 -20.156 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.947 -21.146 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.145 -20.535 1.227 1.00 0.00 H new ATOM 340 N ALA A 24 -3.936 -23.767 -2.518 1.00 0.00 N ATOM 341 CA ALA A 24 -4.941 -24.719 -2.959 1.00 0.00 C ATOM 342 C ALA A 24 -4.343 -26.127 -2.949 1.00 0.00 C ATOM 343 O ALA A 24 -4.889 -27.033 -2.321 1.00 0.00 O ATOM 344 CB ALA A 24 -5.457 -24.315 -4.341 1.00 0.00 C ATOM 0 H ALA A 24 -3.378 -23.358 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.794 -24.718 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.211 -25.030 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.899 -23.320 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.629 -24.307 -5.050 1.00 0.00 H new ATOM 350 N SER A 25 -3.228 -26.267 -3.652 1.00 0.00 N ATOM 351 CA SER A 25 -2.550 -27.549 -3.732 1.00 0.00 C ATOM 352 C SER A 25 -2.281 -28.088 -2.326 1.00 0.00 C ATOM 353 O SER A 25 -2.622 -29.229 -2.018 1.00 0.00 O ATOM 354 CB SER A 25 -1.241 -27.431 -4.515 1.00 0.00 C ATOM 355 OG SER A 25 -0.645 -28.704 -4.753 1.00 0.00 O ATOM 0 H SER A 25 -2.778 -25.513 -4.171 1.00 0.00 H new ATOM 0 HA SER A 25 -3.198 -28.246 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.431 -26.936 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.543 -26.802 -3.962 1.00 0.00 H new ATOM 0 HG SER A 25 0.187 -28.586 -5.257 1.00 0.00 H new ATOM 361 N LEU A 26 -1.672 -27.241 -1.509 1.00 0.00 N ATOM 362 CA LEU A 26 -1.353 -27.618 -0.142 1.00 0.00 C ATOM 363 C LEU A 26 -2.596 -27.445 0.733 1.00 0.00 C ATOM 364 O LEU A 26 -3.410 -26.555 0.493 1.00 0.00 O ATOM 365 CB LEU A 26 -0.135 -26.838 0.358 1.00 0.00 C ATOM 366 CG LEU A 26 1.209 -27.223 -0.262 1.00 0.00 C ATOM 367 CD1 LEU A 26 2.142 -26.013 -0.343 1.00 0.00 C ATOM 368 CD2 LEU A 26 1.848 -28.390 0.494 1.00 0.00 C ATOM 0 H LEU A 26 -1.391 -26.295 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.072 -28.670 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.307 -25.778 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.064 -26.967 1.438 1.00 0.00 H new ATOM 0 HG LEU A 26 1.030 -27.561 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.091 -26.314 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.682 -25.240 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.319 -25.622 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.802 -28.644 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.012 -28.104 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.185 -29.255 0.456 1.00 0.00 H new ATOM 380 N PRO A 27 -2.706 -28.334 1.756 1.00 0.00 N ATOM 381 CA PRO A 27 -3.836 -28.289 2.668 1.00 0.00 C ATOM 382 C PRO A 27 -3.702 -27.122 3.650 1.00 0.00 C ATOM 383 O PRO A 27 -2.592 -26.699 3.969 1.00 0.00 O ATOM 384 CB PRO A 27 -3.843 -29.645 3.355 1.00 0.00 C ATOM 385 CG PRO A 27 -2.453 -30.224 3.147 1.00 0.00 C ATOM 386 CD PRO A 27 -1.762 -29.402 2.071 1.00 0.00 C ATOM 0 HA PRO A 27 -4.782 -28.112 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.069 -29.544 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.605 -30.296 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.884 -30.193 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.516 -31.270 2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.814 -29.000 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.541 -30.007 1.192 1.00 0.00 H new ATOM 394 N LYS A 28 -4.849 -26.636 4.101 1.00 0.00 N ATOM 395 CA LYS A 28 -4.874 -25.527 5.040 1.00 0.00 C ATOM 396 C LYS A 28 -4.913 -26.074 6.468 1.00 0.00 C ATOM 397 O LYS A 28 -4.813 -25.315 7.431 1.00 0.00 O ATOM 398 CB LYS A 28 -6.026 -24.575 4.715 1.00 0.00 C ATOM 399 CG LYS A 28 -5.807 -23.891 3.364 1.00 0.00 C ATOM 400 CD LYS A 28 -6.174 -24.826 2.209 1.00 0.00 C ATOM 401 CE LYS A 28 -7.014 -24.097 1.159 1.00 0.00 C ATOM 402 NZ LYS A 28 -8.424 -24.001 1.600 1.00 0.00 N ATOM 0 H LYS A 28 -5.768 -26.990 3.834 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.965 -24.932 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.966 -25.127 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.112 -23.822 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.411 -22.985 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.765 -23.585 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.266 -25.214 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.728 -25.683 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.610 -23.099 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.959 -24.627 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.981 -23.504 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.810 -24.957 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.472 -23.475 2.496 1.00 0.00 H new ATOM 416 N HIS A 29 -5.059 -27.388 6.561 1.00 0.00 N ATOM 417 CA HIS A 29 -5.113 -28.046 7.855 1.00 0.00 C ATOM 418 C HIS A 29 -3.692 -28.323 8.350 1.00 0.00 C ATOM 419 O HIS A 29 -3.495 -28.707 9.501 1.00 0.00 O ATOM 420 CB HIS A 29 -5.974 -29.309 7.788 1.00 0.00 C ATOM 421 CG HIS A 29 -5.356 -30.431 6.989 1.00 0.00 C ATOM 422 ND1 HIS A 29 -5.932 -30.936 5.836 1.00 0.00 N ATOM 423 CD2 HIS A 29 -4.208 -31.140 7.187 1.00 0.00 C ATOM 424 CE1 HIS A 29 -5.158 -31.904 5.371 1.00 0.00 C ATOM 425 NE2 HIS A 29 -4.090 -32.030 6.210 1.00 0.00 N ATOM 0 H HIS A 29 -5.142 -28.015 5.760 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.592 -27.389 8.581 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.165 -29.661 8.802 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.940 -29.055 7.352 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.512 -31.001 8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.340 -32.491 4.483 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.327 -32.698 6.104 1.00 0.00 H new ATOM 433 N LYS A 30 -2.737 -28.116 7.454 1.00 0.00 N ATOM 434 CA LYS A 30 -1.340 -28.339 7.784 1.00 0.00 C ATOM 435 C LYS A 30 -0.884 -27.282 8.792 1.00 0.00 C ATOM 436 O LYS A 30 -1.531 -26.248 8.948 1.00 0.00 O ATOM 437 CB LYS A 30 -0.489 -28.384 6.514 1.00 0.00 C ATOM 438 CG LYS A 30 -0.081 -29.820 6.178 1.00 0.00 C ATOM 439 CD LYS A 30 1.010 -29.843 5.105 1.00 0.00 C ATOM 440 CE LYS A 30 1.602 -31.246 4.956 1.00 0.00 C ATOM 441 NZ LYS A 30 2.702 -31.450 5.924 1.00 0.00 N ATOM 0 H LYS A 30 -2.904 -27.796 6.500 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.212 -29.311 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.048 -27.957 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.402 -27.771 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.278 -30.320 7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.951 -30.377 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.595 -29.516 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.798 -29.138 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.825 -31.994 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.973 -31.385 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.092 -32.407 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.450 -30.748 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.338 -31.338 6.892 1.00 0.00 H new ATOM 455 N PRO A 31 0.256 -27.587 9.469 1.00 0.00 N ATOM 456 CA PRO A 31 0.806 -26.675 10.457 1.00 0.00 C ATOM 457 C PRO A 31 1.484 -25.480 9.784 1.00 0.00 C ATOM 458 O PRO A 31 0.935 -24.379 9.767 1.00 0.00 O ATOM 459 CB PRO A 31 1.768 -27.518 11.278 1.00 0.00 C ATOM 460 CG PRO A 31 2.071 -28.746 10.434 1.00 0.00 C ATOM 461 CD PRO A 31 1.049 -28.803 9.310 1.00 0.00 C ATOM 0 HA PRO A 31 0.039 -26.234 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.679 -26.964 11.502 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.323 -27.800 12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.081 -28.691 10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.020 -29.649 11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.534 -28.835 8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.427 -29.695 9.385 1.00 0.00 H new ATOM 469 N GLY A 32 2.666 -25.737 9.245 1.00 0.00 N ATOM 470 CA GLY A 32 3.424 -24.696 8.571 1.00 0.00 C ATOM 471 C GLY A 32 2.894 -24.460 7.156 1.00 0.00 C ATOM 472 O GLY A 32 3.659 -24.476 6.192 1.00 0.00 O ATOM 0 H GLY A 32 3.118 -26.651 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.366 -23.770 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.476 -24.978 8.527 1.00 0.00 H new ATOM 476 N PHE A 33 1.589 -24.247 7.075 1.00 0.00 N ATOM 477 CA PHE A 33 0.948 -24.008 5.793 1.00 0.00 C ATOM 478 C PHE A 33 1.651 -22.884 5.030 1.00 0.00 C ATOM 479 O PHE A 33 1.916 -23.011 3.835 1.00 0.00 O ATOM 480 CB PHE A 33 -0.493 -23.586 6.086 1.00 0.00 C ATOM 481 CG PHE A 33 -1.302 -23.226 4.838 1.00 0.00 C ATOM 482 CD1 PHE A 33 -1.480 -24.147 3.854 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.843 -21.984 4.713 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.230 -23.813 2.696 1.00 0.00 C ATOM 485 CE2 PHE A 33 -2.593 -21.650 3.555 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.771 -22.571 2.571 1.00 0.00 C ATOM 0 H PHE A 33 0.958 -24.235 7.876 1.00 0.00 H new ATOM 0 HA PHE A 33 0.992 -24.909 5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.998 -24.396 6.613 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.480 -22.728 6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.051 -25.133 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.702 -21.252 5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.371 -24.545 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.022 -20.664 3.456 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.342 -22.317 1.690 1.00 0.00 H new ATOM 496 N TRP A 34 1.933 -21.808 5.751 1.00 0.00 N ATOM 497 CA TRP A 34 2.600 -20.663 5.156 1.00 0.00 C ATOM 498 C TRP A 34 3.966 -21.124 4.645 1.00 0.00 C ATOM 499 O TRP A 34 4.350 -20.811 3.519 1.00 0.00 O ATOM 500 CB TRP A 34 2.693 -19.505 6.152 1.00 0.00 C ATOM 501 CG TRP A 34 1.353 -18.827 6.445 1.00 0.00 C ATOM 502 CD1 TRP A 34 0.781 -18.612 7.637 1.00 0.00 C ATOM 503 CD2 TRP A 34 0.436 -18.279 5.474 1.00 0.00 C ATOM 504 NE1 TRP A 34 -0.433 -17.969 7.507 1.00 0.00 N ATOM 505 CE2 TRP A 34 -0.650 -17.760 6.150 1.00 0.00 C ATOM 506 CE3 TRP A 34 0.521 -18.225 4.072 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -1.733 -17.150 5.506 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -0.569 -17.612 3.444 1.00 0.00 C ATOM 509 CH2 TRP A 34 -1.670 -17.084 4.109 1.00 0.00 C ATOM 0 H TRP A 34 1.712 -21.706 6.741 1.00 0.00 H new ATOM 0 HA TRP A 34 2.026 -20.277 4.313 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.113 -19.876 7.087 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.388 -18.760 5.764 1.00 0.00 H new ATOM 0 HD1 TRP A 34 1.215 -18.905 8.581 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -1.057 -17.697 8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.361 -18.625 3.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.572 -16.752 6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.554 -17.544 2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -2.473 -16.625 3.551 1.00 0.00 H new ATOM 520 N SER A 35 4.664 -21.860 5.498 1.00 0.00 N ATOM 521 CA SER A 35 5.979 -22.367 5.148 1.00 0.00 C ATOM 522 C SER A 35 5.900 -23.175 3.851 1.00 0.00 C ATOM 523 O SER A 35 6.825 -23.149 3.041 1.00 0.00 O ATOM 524 CB SER A 35 6.557 -23.226 6.274 1.00 0.00 C ATOM 525 OG SER A 35 6.282 -24.611 6.084 1.00 0.00 O ATOM 0 H SER A 35 4.343 -22.117 6.431 1.00 0.00 H new ATOM 0 HA SER A 35 6.644 -21.517 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.635 -23.075 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.141 -22.901 7.228 1.00 0.00 H new ATOM 0 HG SER A 35 5.391 -24.819 6.435 1.00 0.00 H new ATOM 531 N GLU A 36 4.786 -23.875 3.695 1.00 0.00 N ATOM 532 CA GLU A 36 4.573 -24.690 2.511 1.00 0.00 C ATOM 533 C GLU A 36 4.328 -23.799 1.291 1.00 0.00 C ATOM 534 O GLU A 36 5.111 -23.809 0.343 1.00 0.00 O ATOM 535 CB GLU A 36 3.415 -25.667 2.718 1.00 0.00 C ATOM 536 CG GLU A 36 3.740 -26.676 3.821 1.00 0.00 C ATOM 537 CD GLU A 36 2.965 -27.980 3.618 1.00 0.00 C ATOM 538 OE1 GLU A 36 1.838 -27.892 3.084 1.00 0.00 O ATOM 539 OE2 GLU A 36 3.516 -29.034 4.002 1.00 0.00 O ATOM 0 H GLU A 36 4.021 -23.895 4.369 1.00 0.00 H new ATOM 0 HA GLU A 36 5.473 -25.279 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.512 -25.116 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.209 -26.195 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.810 -26.882 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.493 -26.250 4.793 1.00 0.00 H new ATOM 546 N VAL A 37 3.236 -23.051 1.355 1.00 0.00 N ATOM 547 CA VAL A 37 2.878 -22.156 0.267 1.00 0.00 C ATOM 548 C VAL A 37 4.062 -21.240 -0.046 1.00 0.00 C ATOM 549 O VAL A 37 4.177 -20.726 -1.157 1.00 0.00 O ATOM 550 CB VAL A 37 1.604 -21.387 0.621 1.00 0.00 C ATOM 551 CG1 VAL A 37 0.555 -22.316 1.237 1.00 0.00 C ATOM 552 CG2 VAL A 37 1.913 -20.214 1.554 1.00 0.00 C ATOM 0 H VAL A 37 2.588 -23.046 2.143 1.00 0.00 H new ATOM 0 HA VAL A 37 2.659 -22.723 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 37 1.191 -20.981 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.340 -21.744 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.302 -23.102 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.955 -22.765 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.990 -19.684 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.362 -20.589 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.608 -19.532 1.063 1.00 0.00 H new ATOM 562 N ALA A 38 4.913 -21.064 0.955 1.00 0.00 N ATOM 563 CA ALA A 38 6.085 -20.218 0.800 1.00 0.00 C ATOM 564 C ALA A 38 7.133 -20.955 -0.035 1.00 0.00 C ATOM 565 O ALA A 38 8.006 -20.329 -0.635 1.00 0.00 O ATOM 566 CB ALA A 38 6.613 -19.820 2.180 1.00 0.00 C ATOM 0 H ALA A 38 4.814 -21.492 1.875 1.00 0.00 H new ATOM 0 HA ALA A 38 5.829 -19.300 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.492 -19.186 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.840 -19.274 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.883 -20.716 2.738 1.00 0.00 H new ATOM 572 N ALA A 39 7.013 -22.274 -0.048 1.00 0.00 N ATOM 573 CA ALA A 39 7.940 -23.103 -0.800 1.00 0.00 C ATOM 574 C ALA A 39 7.833 -22.760 -2.287 1.00 0.00 C ATOM 575 O ALA A 39 8.830 -22.422 -2.924 1.00 0.00 O ATOM 576 CB ALA A 39 7.648 -24.579 -0.520 1.00 0.00 C ATOM 0 H ALA A 39 6.288 -22.790 0.450 1.00 0.00 H new ATOM 0 HA ALA A 39 8.967 -22.909 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.343 -25.201 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.766 -24.777 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.627 -24.811 -0.822 1.00 0.00 H new ATOM 582 N ALA A 40 6.614 -22.858 -2.798 1.00 0.00 N ATOM 583 CA ALA A 40 6.364 -22.562 -4.199 1.00 0.00 C ATOM 584 C ALA A 40 6.380 -21.046 -4.406 1.00 0.00 C ATOM 585 O ALA A 40 6.645 -20.570 -5.509 1.00 0.00 O ATOM 586 CB ALA A 40 5.038 -23.195 -4.625 1.00 0.00 C ATOM 0 H ALA A 40 5.789 -23.138 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 40 7.146 -22.989 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.850 -22.973 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.089 -24.275 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.229 -22.788 -4.018 1.00 0.00 H new ATOM 592 N VAL A 41 6.094 -20.331 -3.328 1.00 0.00 N ATOM 593 CA VAL A 41 6.073 -18.879 -3.378 1.00 0.00 C ATOM 594 C VAL A 41 7.435 -18.337 -2.940 1.00 0.00 C ATOM 595 O VAL A 41 7.596 -17.133 -2.750 1.00 0.00 O ATOM 596 CB VAL A 41 4.916 -18.343 -2.532 1.00 0.00 C ATOM 597 CG1 VAL A 41 4.949 -16.815 -2.463 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.571 -18.839 -3.065 1.00 0.00 C ATOM 0 H VAL A 41 5.875 -20.730 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 41 5.900 -18.535 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 41 5.036 -18.727 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.116 -16.460 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.888 -16.491 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.866 -16.403 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.766 -18.443 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.439 -18.499 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.548 -19.928 -3.037 1.00 0.00 H new ATOM 608 N GLY A 42 8.381 -19.254 -2.793 1.00 0.00 N ATOM 609 CA GLY A 42 9.724 -18.883 -2.381 1.00 0.00 C ATOM 610 C GLY A 42 10.007 -17.412 -2.692 1.00 0.00 C ATOM 611 O GLY A 42 10.597 -16.704 -1.877 1.00 0.00 O ATOM 0 H GLY A 42 8.244 -20.252 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.843 -19.062 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.452 -19.513 -2.892 1.00 0.00 H new ATOM 615 N SER A 43 9.572 -16.996 -3.872 1.00 0.00 N ATOM 616 CA SER A 43 9.771 -15.621 -4.300 1.00 0.00 C ATOM 617 C SER A 43 9.574 -14.671 -3.118 1.00 0.00 C ATOM 618 O SER A 43 10.170 -13.596 -3.075 1.00 0.00 O ATOM 619 CB SER A 43 8.818 -15.256 -5.440 1.00 0.00 C ATOM 620 OG SER A 43 8.384 -16.405 -6.163 1.00 0.00 O ATOM 0 H SER A 43 9.083 -17.586 -4.545 1.00 0.00 H new ATOM 0 HA SER A 43 10.791 -15.522 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.951 -14.734 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.316 -14.566 -6.121 1.00 0.00 H new ATOM 0 HG SER A 43 7.423 -16.535 -6.024 1.00 0.00 H new ATOM 626 N ARG A 44 8.736 -15.102 -2.187 1.00 0.00 N ATOM 627 CA ARG A 44 8.452 -14.303 -1.007 1.00 0.00 C ATOM 628 C ARG A 44 8.557 -15.163 0.254 1.00 0.00 C ATOM 629 O ARG A 44 8.913 -16.338 0.181 1.00 0.00 O ATOM 630 CB ARG A 44 7.054 -13.687 -1.082 1.00 0.00 C ATOM 631 CG ARG A 44 6.849 -12.951 -2.407 1.00 0.00 C ATOM 632 CD ARG A 44 6.774 -11.439 -2.189 1.00 0.00 C ATOM 633 NE ARG A 44 6.290 -10.773 -3.419 1.00 0.00 N ATOM 634 CZ ARG A 44 6.360 -9.453 -3.636 1.00 0.00 C ATOM 635 NH1 ARG A 44 6.894 -8.648 -2.707 1.00 0.00 N ATOM 636 NH2 ARG A 44 5.896 -8.936 -4.782 1.00 0.00 N ATOM 0 H ARG A 44 8.244 -15.995 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 44 9.188 -13.500 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.302 -14.469 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.913 -12.995 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.669 -13.184 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.932 -13.299 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.105 -11.216 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.757 -11.053 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 44 5.877 -11.356 -4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.247 -9.040 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.947 -7.643 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.489 -9.548 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.950 -7.931 -4.947 1.00 0.00 H new ATOM 650 N SER A 45 8.240 -14.544 1.382 1.00 0.00 N ATOM 651 CA SER A 45 8.293 -15.238 2.657 1.00 0.00 C ATOM 652 C SER A 45 6.912 -15.793 3.010 1.00 0.00 C ATOM 653 O SER A 45 5.906 -15.370 2.442 1.00 0.00 O ATOM 654 CB SER A 45 8.792 -14.312 3.768 1.00 0.00 C ATOM 655 OG SER A 45 8.680 -12.938 3.408 1.00 0.00 O ATOM 0 H SER A 45 7.945 -13.569 1.439 1.00 0.00 H new ATOM 0 HA SER A 45 8.997 -16.065 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.220 -14.496 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.833 -14.544 3.993 1.00 0.00 H new ATOM 0 HG SER A 45 9.007 -12.379 4.144 1.00 0.00 H new ATOM 661 N PRO A 46 6.907 -16.757 3.969 1.00 0.00 N ATOM 662 CA PRO A 46 5.666 -17.374 4.404 1.00 0.00 C ATOM 663 C PRO A 46 4.868 -16.428 5.302 1.00 0.00 C ATOM 664 O PRO A 46 3.641 -16.506 5.359 1.00 0.00 O ATOM 665 CB PRO A 46 6.088 -18.651 5.112 1.00 0.00 C ATOM 666 CG PRO A 46 7.558 -18.470 5.456 1.00 0.00 C ATOM 667 CD PRO A 46 8.079 -17.283 4.663 1.00 0.00 C ATOM 0 HA PRO A 46 4.995 -17.598 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.494 -18.814 6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.941 -19.520 4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.682 -18.299 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.121 -19.370 5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.521 -16.532 5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.853 -17.587 3.958 1.00 0.00 H new ATOM 675 N GLU A 47 5.596 -15.555 5.983 1.00 0.00 N ATOM 676 CA GLU A 47 4.972 -14.594 6.876 1.00 0.00 C ATOM 677 C GLU A 47 4.264 -13.502 6.071 1.00 0.00 C ATOM 678 O GLU A 47 3.346 -12.854 6.570 1.00 0.00 O ATOM 679 CB GLU A 47 5.999 -13.989 7.835 1.00 0.00 C ATOM 680 CG GLU A 47 6.631 -15.070 8.715 1.00 0.00 C ATOM 681 CD GLU A 47 7.254 -14.459 9.972 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.518 -14.352 10.976 1.00 0.00 O ATOM 683 OE2 GLU A 47 8.453 -14.112 9.899 1.00 0.00 O ATOM 0 H GLU A 47 6.613 -15.493 5.934 1.00 0.00 H new ATOM 0 HA GLU A 47 4.227 -15.116 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.776 -13.478 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.518 -13.239 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.874 -15.801 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.394 -15.604 8.149 1.00 0.00 H new ATOM 690 N GLU A 48 4.719 -13.333 4.838 1.00 0.00 N ATOM 691 CA GLU A 48 4.141 -12.331 3.959 1.00 0.00 C ATOM 692 C GLU A 48 2.920 -12.901 3.234 1.00 0.00 C ATOM 693 O GLU A 48 1.967 -12.176 2.950 1.00 0.00 O ATOM 694 CB GLU A 48 5.178 -11.813 2.960 1.00 0.00 C ATOM 695 CG GLU A 48 6.375 -11.193 3.685 1.00 0.00 C ATOM 696 CD GLU A 48 5.954 -9.956 4.480 1.00 0.00 C ATOM 697 OE1 GLU A 48 5.693 -8.923 3.826 1.00 0.00 O ATOM 698 OE2 GLU A 48 5.902 -10.070 5.723 1.00 0.00 O ATOM 0 H GLU A 48 5.481 -13.873 4.427 1.00 0.00 H new ATOM 0 HA GLU A 48 3.817 -11.487 4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.517 -12.631 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.720 -11.071 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.818 -11.928 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.142 -10.920 2.960 1.00 0.00 H new ATOM 705 N CYS A 49 2.987 -14.195 2.956 1.00 0.00 N ATOM 706 CA CYS A 49 1.899 -14.870 2.270 1.00 0.00 C ATOM 707 C CYS A 49 0.620 -14.673 3.086 1.00 0.00 C ATOM 708 O CYS A 49 -0.480 -14.691 2.537 1.00 0.00 O ATOM 709 CB CYS A 49 2.207 -16.352 2.042 1.00 0.00 C ATOM 710 SG CYS A 49 3.758 -16.528 1.086 1.00 0.00 S ATOM 0 H CYS A 49 3.778 -14.794 3.194 1.00 0.00 H new ATOM 0 HA CYS A 49 1.767 -14.436 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.300 -16.864 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.384 -16.825 1.506 1.00 0.00 H new ATOM 0 HG CYS A 49 4.677 -15.769 1.606 1.00 0.00 H new ATOM 716 N GLN A 50 0.808 -14.488 4.385 1.00 0.00 N ATOM 717 CA GLN A 50 -0.317 -14.287 5.283 1.00 0.00 C ATOM 718 C GLN A 50 -0.820 -12.846 5.189 1.00 0.00 C ATOM 719 O GLN A 50 -2.004 -12.612 4.952 1.00 0.00 O ATOM 720 CB GLN A 50 0.060 -14.644 6.722 1.00 0.00 C ATOM 721 CG GLN A 50 -1.112 -14.393 7.674 1.00 0.00 C ATOM 722 CD GLN A 50 -0.627 -14.266 9.119 1.00 0.00 C ATOM 723 OE1 GLN A 50 -0.644 -15.210 9.892 1.00 0.00 O ATOM 724 NE2 GLN A 50 -0.193 -13.051 9.440 1.00 0.00 N ATOM 0 H GLN A 50 1.722 -14.473 4.837 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.124 -14.953 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.358 -15.691 6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.920 -14.052 7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.635 -13.483 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.829 -15.211 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.206 -12.305 8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.153 -12.865 10.381 1.00 0.00 H new ATOM 733 N ARG A 51 0.105 -11.916 5.379 1.00 0.00 N ATOM 734 CA ARG A 51 -0.230 -10.503 5.318 1.00 0.00 C ATOM 735 C ARG A 51 -0.878 -10.169 3.973 1.00 0.00 C ATOM 736 O ARG A 51 -1.768 -9.323 3.902 1.00 0.00 O ATOM 737 CB ARG A 51 1.014 -9.634 5.508 1.00 0.00 C ATOM 738 CG ARG A 51 1.011 -8.965 6.884 1.00 0.00 C ATOM 739 CD ARG A 51 2.355 -9.157 7.590 1.00 0.00 C ATOM 740 NE ARG A 51 2.256 -8.711 8.998 1.00 0.00 N ATOM 741 CZ ARG A 51 3.277 -8.728 9.865 1.00 0.00 C ATOM 742 NH1 ARG A 51 4.480 -9.170 9.475 1.00 0.00 N ATOM 743 NH2 ARG A 51 3.095 -8.304 11.123 1.00 0.00 N ATOM 0 H ARG A 51 1.086 -12.113 5.575 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.932 -10.293 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.909 -10.246 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.052 -8.872 4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.802 -7.901 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.212 -9.385 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.648 -10.206 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.130 -8.590 7.074 1.00 0.00 H new ATOM 0 HE ARG A 51 1.354 -8.369 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.619 -9.494 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.257 -9.183 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.179 -7.968 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.873 -8.317 11.783 1.00 0.00 H new ATOM 757 N LYS A 52 -0.406 -10.850 2.939 1.00 0.00 N ATOM 758 CA LYS A 52 -0.927 -10.635 1.600 1.00 0.00 C ATOM 759 C LYS A 52 -2.376 -11.124 1.538 1.00 0.00 C ATOM 760 O LYS A 52 -3.284 -10.350 1.238 1.00 0.00 O ATOM 761 CB LYS A 52 -0.014 -11.284 0.559 1.00 0.00 C ATOM 762 CG LYS A 52 -0.729 -11.426 -0.786 1.00 0.00 C ATOM 763 CD LYS A 52 -1.110 -10.056 -1.352 1.00 0.00 C ATOM 764 CE LYS A 52 -0.320 -9.751 -2.626 1.00 0.00 C ATOM 765 NZ LYS A 52 -1.187 -9.092 -3.628 1.00 0.00 N ATOM 0 H LYS A 52 0.332 -11.551 3.002 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.938 -9.572 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.886 -10.682 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.304 -12.265 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.083 -11.948 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.625 -12.035 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.178 -10.032 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.918 -9.284 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.527 -9.107 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.086 -10.674 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.019 -9.514 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.184 -9.223 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.968 -8.076 -3.662 1.00 0.00 H new ATOM 779 N TYR A 53 -2.547 -12.406 1.826 1.00 0.00 N ATOM 780 CA TYR A 53 -3.870 -13.007 1.806 1.00 0.00 C ATOM 781 C TYR A 53 -4.848 -12.209 2.671 1.00 0.00 C ATOM 782 O TYR A 53 -5.929 -11.843 2.214 1.00 0.00 O ATOM 783 CB TYR A 53 -3.705 -14.407 2.402 1.00 0.00 C ATOM 784 CG TYR A 53 -4.857 -15.360 2.077 1.00 0.00 C ATOM 785 CD1 TYR A 53 -6.055 -15.251 2.754 1.00 0.00 C ATOM 786 CD2 TYR A 53 -4.698 -16.330 1.108 1.00 0.00 C ATOM 787 CE1 TYR A 53 -7.139 -16.149 2.448 1.00 0.00 C ATOM 788 CE2 TYR A 53 -5.782 -17.227 0.802 1.00 0.00 C ATOM 789 CZ TYR A 53 -6.949 -17.092 1.487 1.00 0.00 C ATOM 790 OH TYR A 53 -7.972 -17.940 1.199 1.00 0.00 O ATOM 0 H TYR A 53 -1.792 -13.045 2.074 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.267 -13.028 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.774 -14.840 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.612 -14.321 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.180 -14.493 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.760 -16.416 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.081 -16.075 2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.671 -17.990 0.046 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.698 -18.861 1.394 1.00 0.00 H new ATOM 800 N MET A 54 -4.432 -11.964 3.905 1.00 0.00 N ATOM 801 CA MET A 54 -5.258 -11.216 4.838 1.00 0.00 C ATOM 802 C MET A 54 -5.900 -10.007 4.154 1.00 0.00 C ATOM 803 O MET A 54 -7.081 -9.730 4.357 1.00 0.00 O ATOM 804 CB MET A 54 -4.401 -10.743 6.013 1.00 0.00 C ATOM 805 CG MET A 54 -4.155 -11.881 7.005 1.00 0.00 C ATOM 806 SD MET A 54 -3.403 -11.242 8.493 1.00 0.00 S ATOM 807 CE MET A 54 -4.602 -11.777 9.701 1.00 0.00 C ATOM 0 H MET A 54 -3.534 -12.270 4.280 1.00 0.00 H new ATOM 0 HA MET A 54 -6.052 -11.871 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.448 -10.365 5.644 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.897 -9.915 6.520 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.097 -12.374 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.508 -12.633 6.555 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.285 -11.458 10.694 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.572 -11.336 9.471 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.682 -12.864 9.677 1.00 0.00 H new ATOM 817 N GLU A 55 -5.094 -9.320 3.358 1.00 0.00 N ATOM 818 CA GLU A 55 -5.569 -8.148 2.644 1.00 0.00 C ATOM 819 C GLU A 55 -6.619 -8.548 1.606 1.00 0.00 C ATOM 820 O GLU A 55 -7.706 -7.973 1.564 1.00 0.00 O ATOM 821 CB GLU A 55 -4.407 -7.398 1.988 1.00 0.00 C ATOM 822 CG GLU A 55 -3.432 -6.868 3.041 1.00 0.00 C ATOM 823 CD GLU A 55 -3.374 -5.340 3.015 1.00 0.00 C ATOM 824 OE1 GLU A 55 -3.463 -4.787 1.897 1.00 0.00 O ATOM 825 OE2 GLU A 55 -3.243 -4.758 4.113 1.00 0.00 O ATOM 0 H GLU A 55 -4.115 -9.553 3.192 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.035 -7.473 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.881 -8.063 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.793 -6.569 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.740 -7.207 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.438 -7.276 2.859 1.00 0.00 H new ATOM 832 N ASN A 56 -6.258 -9.530 0.793 1.00 0.00 N ATOM 833 CA ASN A 56 -7.156 -10.013 -0.241 1.00 0.00 C ATOM 834 C ASN A 56 -7.357 -11.521 -0.073 1.00 0.00 C ATOM 835 O ASN A 56 -6.778 -12.314 -0.814 1.00 0.00 O ATOM 836 CB ASN A 56 -6.575 -9.766 -1.635 1.00 0.00 C ATOM 837 CG ASN A 56 -5.229 -10.475 -1.800 1.00 0.00 C ATOM 838 OD1 ASN A 56 -4.301 -10.289 -1.029 1.00 0.00 O ATOM 839 ND2 ASN A 56 -5.173 -11.294 -2.847 1.00 0.00 N ATOM 0 H ASN A 56 -5.356 -10.004 0.830 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.101 -9.478 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.273 -10.122 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.449 -8.695 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.317 -11.812 -3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.986 -11.404 -3.453 1.00 0.00 H new ATOM 846 N PRO A 57 -8.201 -11.880 0.931 1.00 0.00 N ATOM 847 CA PRO A 57 -8.485 -13.278 1.206 1.00 0.00 C ATOM 848 C PRO A 57 -9.432 -13.862 0.155 1.00 0.00 C ATOM 849 O PRO A 57 -9.602 -13.288 -0.919 1.00 0.00 O ATOM 850 CB PRO A 57 -9.072 -13.292 2.608 1.00 0.00 C ATOM 851 CG PRO A 57 -9.525 -11.867 2.884 1.00 0.00 C ATOM 852 CD PRO A 57 -8.904 -10.967 1.828 1.00 0.00 C ATOM 0 HA PRO A 57 -7.596 -13.906 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.909 -13.988 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.330 -13.615 3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.612 -11.799 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.216 -11.555 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.665 -10.397 1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.220 -10.246 2.275 1.00 0.00 H new ATOM 860 N ARG A 58 -10.023 -14.995 0.503 1.00 0.00 N ATOM 861 CA ARG A 58 -10.948 -15.663 -0.397 1.00 0.00 C ATOM 862 C ARG A 58 -12.303 -14.952 -0.389 1.00 0.00 C ATOM 863 O ARG A 58 -13.193 -15.314 0.379 1.00 0.00 O ATOM 864 CB ARG A 58 -11.145 -17.127 0.003 1.00 0.00 C ATOM 865 CG ARG A 58 -10.938 -18.055 -1.195 1.00 0.00 C ATOM 866 CD ARG A 58 -12.231 -18.212 -1.998 1.00 0.00 C ATOM 867 NE ARG A 58 -12.184 -17.354 -3.204 1.00 0.00 N ATOM 868 CZ ARG A 58 -11.338 -17.541 -4.226 1.00 0.00 C ATOM 869 NH1 ARG A 58 -10.462 -18.555 -4.195 1.00 0.00 N ATOM 870 NH2 ARG A 58 -11.367 -16.713 -5.279 1.00 0.00 N ATOM 0 H ARG A 58 -9.880 -15.468 1.395 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.521 -15.626 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.444 -17.389 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.148 -17.266 0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.153 -17.656 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.600 -19.032 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.365 -19.254 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.088 -17.940 -1.381 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.836 -16.572 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.439 -19.185 -3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.818 -18.697 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.033 -15.941 -5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.723 -16.855 -6.057 1.00 0.00 H new ATOM 884 N GLY A 59 -12.416 -13.954 -1.252 1.00 0.00 N ATOM 885 CA GLY A 59 -13.647 -13.189 -1.354 1.00 0.00 C ATOM 886 C GLY A 59 -13.373 -11.689 -1.233 1.00 0.00 C ATOM 887 O GLY A 59 -13.023 -11.037 -2.216 1.00 0.00 O ATOM 0 H GLY A 59 -11.675 -13.657 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.131 -13.398 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.338 -13.500 -0.571 1.00 0.00 H new ATOM 891 N LYS A 60 -13.541 -11.184 -0.020 1.00 0.00 N ATOM 892 CA LYS A 60 -13.316 -9.773 0.242 1.00 0.00 C ATOM 893 C LYS A 60 -11.975 -9.354 -0.364 1.00 0.00 C ATOM 894 O LYS A 60 -11.202 -10.199 -0.814 1.00 0.00 O ATOM 895 CB LYS A 60 -13.432 -9.481 1.739 1.00 0.00 C ATOM 896 CG LYS A 60 -14.885 -9.213 2.135 1.00 0.00 C ATOM 897 CD LYS A 60 -15.177 -7.711 2.168 1.00 0.00 C ATOM 898 CE LYS A 60 -16.664 -7.437 1.937 1.00 0.00 C ATOM 899 NZ LYS A 60 -17.313 -7.006 3.196 1.00 0.00 N ATOM 0 H LYS A 60 -13.831 -11.727 0.793 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.086 -9.169 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.046 -10.326 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.817 -8.618 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.555 -9.702 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.085 -9.647 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.873 -7.299 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.587 -7.205 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.784 -6.665 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.151 -8.336 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.322 -6.824 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.215 -7.755 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.859 -6.136 3.541 1.00 0.00 H new ATOM 913 N GLY A 61 -11.741 -8.050 -0.358 1.00 0.00 N ATOM 914 CA GLY A 61 -10.507 -7.509 -0.902 1.00 0.00 C ATOM 915 C GLY A 61 -10.574 -5.984 -1.000 1.00 0.00 C ATOM 916 O GLY A 61 -9.917 -5.279 -0.235 1.00 0.00 O ATOM 0 H GLY A 61 -12.385 -7.352 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.668 -7.800 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.324 -7.933 -1.889 1.00 0.00 H new ATOM 920 N SER A 62 -11.373 -5.518 -1.949 1.00 0.00 N ATOM 921 CA SER A 62 -11.534 -4.089 -2.157 1.00 0.00 C ATOM 922 C SER A 62 -12.040 -3.427 -0.874 1.00 0.00 C ATOM 923 O SER A 62 -12.458 -4.111 0.059 1.00 0.00 O ATOM 924 CB SER A 62 -12.494 -3.806 -3.314 1.00 0.00 C ATOM 925 OG SER A 62 -13.858 -3.924 -2.918 1.00 0.00 O ATOM 0 H SER A 62 -11.916 -6.105 -2.582 1.00 0.00 H new ATOM 0 HA SER A 62 -10.562 -3.669 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.314 -2.802 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.292 -4.500 -4.130 1.00 0.00 H new ATOM 0 HG SER A 62 -14.439 -3.734 -3.684 1.00 0.00 H new ATOM 931 N GLN A 63 -11.985 -2.103 -0.868 1.00 0.00 N ATOM 932 CA GLN A 63 -12.432 -1.341 0.286 1.00 0.00 C ATOM 933 C GLN A 63 -11.510 -1.595 1.480 1.00 0.00 C ATOM 934 O GLN A 63 -11.054 -2.718 1.689 1.00 0.00 O ATOM 935 CB GLN A 63 -13.884 -1.674 0.634 1.00 0.00 C ATOM 936 CG GLN A 63 -14.721 -0.401 0.772 1.00 0.00 C ATOM 937 CD GLN A 63 -15.815 -0.575 1.828 1.00 0.00 C ATOM 938 OE1 GLN A 63 -15.689 -0.153 2.965 1.00 0.00 O ATOM 939 NE2 GLN A 63 -16.892 -1.220 1.389 1.00 0.00 N ATOM 0 H GLN A 63 -11.638 -1.539 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.387 -0.281 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.310 -2.311 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.918 -2.239 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.076 0.434 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.174 -0.153 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.932 -1.547 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.678 -1.388 2.018 1.00 0.00 H new ATOM 948 N LYS A 64 -11.263 -0.533 2.233 1.00 0.00 N ATOM 949 CA LYS A 64 -10.403 -0.627 3.400 1.00 0.00 C ATOM 950 C LYS A 64 -11.079 0.069 4.583 1.00 0.00 C ATOM 951 O LYS A 64 -12.111 0.719 4.419 1.00 0.00 O ATOM 952 CB LYS A 64 -9.008 -0.086 3.084 1.00 0.00 C ATOM 953 CG LYS A 64 -8.216 -1.077 2.228 1.00 0.00 C ATOM 954 CD LYS A 64 -7.507 -0.362 1.075 1.00 0.00 C ATOM 955 CE LYS A 64 -6.791 -1.364 0.168 1.00 0.00 C ATOM 956 NZ LYS A 64 -5.370 -1.494 0.560 1.00 0.00 N ATOM 0 H LYS A 64 -11.644 0.397 2.057 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.258 -1.670 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.093 0.866 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.471 0.109 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.482 -1.592 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.888 -1.838 1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.233 0.207 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.787 0.353 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.282 -2.335 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.860 -1.038 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.898 -2.178 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.901 -0.569 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.310 -1.826 1.544 1.00 0.00 H new ATOM 970 N HIS A 65 -10.470 -0.089 5.749 1.00 0.00 N ATOM 971 CA HIS A 65 -11.000 0.516 6.959 1.00 0.00 C ATOM 972 C HIS A 65 -10.636 2.001 6.992 1.00 0.00 C ATOM 973 O HIS A 65 -11.512 2.857 7.100 1.00 0.00 O ATOM 974 CB HIS A 65 -10.521 -0.240 8.200 1.00 0.00 C ATOM 975 CG HIS A 65 -9.027 -0.190 8.410 1.00 0.00 C ATOM 976 ND1 HIS A 65 -8.420 0.710 9.268 1.00 0.00 N ATOM 977 CD2 HIS A 65 -8.025 -0.939 7.866 1.00 0.00 C ATOM 978 CE1 HIS A 65 -7.111 0.504 9.233 1.00 0.00 C ATOM 979 NE2 HIS A 65 -6.869 -0.518 8.363 1.00 0.00 N ATOM 0 H HIS A 65 -9.614 -0.628 5.881 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.088 0.444 6.959 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.015 0.174 9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.832 -1.282 8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.151 -1.739 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.367 1.049 9.795 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.950 -0.897 8.132 1.00 0.00 H new ATOM 987 N VAL A 66 -9.340 2.262 6.897 1.00 0.00 N ATOM 988 CA VAL A 66 -8.848 3.629 6.915 1.00 0.00 C ATOM 989 C VAL A 66 -9.174 4.266 8.267 1.00 0.00 C ATOM 990 O VAL A 66 -10.321 4.238 8.710 1.00 0.00 O ATOM 991 CB VAL A 66 -9.426 4.408 5.732 1.00 0.00 C ATOM 992 CG1 VAL A 66 -9.009 5.879 5.788 1.00 0.00 C ATOM 993 CG2 VAL A 66 -9.014 3.772 4.402 1.00 0.00 C ATOM 0 H VAL A 66 -8.616 1.549 6.807 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.764 3.647 6.801 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.513 4.365 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.433 6.410 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.375 6.326 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.922 5.950 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.438 4.345 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.927 3.770 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.383 2.747 4.359 1.00 0.00 H new ATOM 1003 N THR A 67 -8.144 4.826 8.884 1.00 0.00 N ATOM 1004 CA THR A 67 -8.306 5.469 10.177 1.00 0.00 C ATOM 1005 C THR A 67 -8.410 6.986 10.009 1.00 0.00 C ATOM 1006 O THR A 67 -8.059 7.524 8.959 1.00 0.00 O ATOM 1007 CB THR A 67 -7.143 5.035 11.071 1.00 0.00 C ATOM 1008 OG1 THR A 67 -6.051 5.841 10.635 1.00 0.00 O ATOM 1009 CG2 THR A 67 -6.687 3.603 10.784 1.00 0.00 C ATOM 0 H THR A 67 -7.194 4.848 8.513 1.00 0.00 H new ATOM 0 HA THR A 67 -9.235 5.162 10.657 1.00 0.00 H new ATOM 0 HB THR A 67 -7.438 5.119 12.117 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.254 5.626 11.164 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.860 3.345 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.516 2.916 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.360 3.526 9.747 1.00 0.00 H new ATOM 1017 N SER A 68 -8.894 7.634 11.058 1.00 0.00 N ATOM 1018 CA SER A 68 -9.048 9.079 11.040 1.00 0.00 C ATOM 1019 C SER A 68 -7.724 9.742 10.656 1.00 0.00 C ATOM 1020 O SER A 68 -6.670 9.378 11.175 1.00 0.00 O ATOM 1021 CB SER A 68 -9.529 9.599 12.396 1.00 0.00 C ATOM 1022 OG SER A 68 -8.573 9.365 13.427 1.00 0.00 O ATOM 0 H SER A 68 -9.185 7.185 11.926 1.00 0.00 H new ATOM 0 HA SER A 68 -9.803 9.333 10.296 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.730 10.668 12.324 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.470 9.115 12.657 1.00 0.00 H new ATOM 0 HG SER A 68 -8.916 9.713 14.276 1.00 0.00 H new ATOM 1028 N GLY A 69 -7.821 10.704 9.750 1.00 0.00 N ATOM 1029 CA GLY A 69 -6.644 11.421 9.290 1.00 0.00 C ATOM 1030 C GLY A 69 -7.004 12.415 8.185 1.00 0.00 C ATOM 1031 O GLY A 69 -6.618 12.234 7.031 1.00 0.00 O ATOM 0 H GLY A 69 -8.697 11.004 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.187 11.951 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.904 10.712 8.919 1.00 0.00 H new ATOM 1035 N PRO A 70 -7.760 13.472 8.587 1.00 0.00 N ATOM 1036 CA PRO A 70 -8.177 14.496 7.643 1.00 0.00 C ATOM 1037 C PRO A 70 -7.011 15.420 7.287 1.00 0.00 C ATOM 1038 O PRO A 70 -6.069 15.566 8.064 1.00 0.00 O ATOM 1039 CB PRO A 70 -9.322 15.222 8.331 1.00 0.00 C ATOM 1040 CG PRO A 70 -9.199 14.888 9.809 1.00 0.00 C ATOM 1041 CD PRO A 70 -8.236 13.720 9.944 1.00 0.00 C ATOM 0 HA PRO A 70 -8.502 14.082 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.257 16.298 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.284 14.897 7.936 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.833 15.751 10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.173 14.630 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.412 13.962 10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.734 12.842 10.355 1.00 0.00 H new ATOM 1049 N SER A 71 -7.112 16.021 6.110 1.00 0.00 N ATOM 1050 CA SER A 71 -6.078 16.928 5.641 1.00 0.00 C ATOM 1051 C SER A 71 -6.715 18.183 5.041 1.00 0.00 C ATOM 1052 O SER A 71 -7.887 18.171 4.668 1.00 0.00 O ATOM 1053 CB SER A 71 -5.175 16.247 4.611 1.00 0.00 C ATOM 1054 OG SER A 71 -3.793 16.413 4.919 1.00 0.00 O ATOM 0 H SER A 71 -7.894 15.897 5.467 1.00 0.00 H new ATOM 0 HA SER A 71 -5.461 17.214 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.412 15.184 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.378 16.659 3.622 1.00 0.00 H new ATOM 0 HG SER A 71 -3.250 15.963 4.239 1.00 0.00 H new ATOM 1060 N SER A 72 -5.915 19.236 4.967 1.00 0.00 N ATOM 1061 CA SER A 72 -6.385 20.497 4.419 1.00 0.00 C ATOM 1062 C SER A 72 -6.362 20.443 2.890 1.00 0.00 C ATOM 1063 O SER A 72 -5.377 20.009 2.295 1.00 0.00 O ATOM 1064 CB SER A 72 -5.538 21.667 4.922 1.00 0.00 C ATOM 1065 OG SER A 72 -4.187 21.578 4.478 1.00 0.00 O ATOM 0 H SER A 72 -4.943 19.242 5.278 1.00 0.00 H new ATOM 0 HA SER A 72 -7.409 20.656 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.973 22.605 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.561 21.689 6.012 1.00 0.00 H new ATOM 0 HG SER A 72 -4.148 21.053 3.652 1.00 0.00 H new ATOM 1071 N GLY A 73 -7.460 20.891 2.297 1.00 0.00 N ATOM 1072 CA GLY A 73 -7.578 20.900 0.849 1.00 0.00 C ATOM 1073 C GLY A 73 -6.991 19.624 0.243 1.00 0.00 C ATOM 1074 O GLY A 73 -7.686 18.617 0.115 1.00 0.00 O ATOM 0 H GLY A 73 -8.275 21.250 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.627 20.992 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.062 21.770 0.444 1.00 0.00 H new TER 1078 GLY A 73