USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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 43 THR OG1 : rot 80:sc= 0.066 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.0521 K(o=0.12,f=-0.63) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 14 ASN : amide:sc= -0.992 K(o=-0.99,f=0.13!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0657 (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= -0.0315 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 27 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -127:sc= 0 (180deg=-1.52!) USER MOD Single : A 57 CYS SG : rot 8:sc= 0.283 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.065) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 8:sc= 0.717 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.786 -19.562 -27.050 1.00 0.00 N ATOM 2 CA GLY A 1 4.727 -19.020 -25.705 1.00 0.00 C ATOM 3 C GLY A 1 6.044 -18.411 -25.267 1.00 0.00 C ATOM 4 O GLY A 1 6.885 -18.070 -26.099 1.00 0.00 O ATOM 0 H1 GLY A 1 3.982 -19.204 -27.604 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.676 -19.271 -27.503 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.743 -20.600 -27.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.946 -18.262 -25.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.447 -19.811 -25.010 1.00 0.00 H new ATOM 8 N SER A 2 6.223 -18.270 -23.957 1.00 0.00 N ATOM 9 CA SER A 2 7.445 -17.692 -23.411 1.00 0.00 C ATOM 10 C SER A 2 7.769 -16.365 -24.090 1.00 0.00 C ATOM 11 O SER A 2 8.924 -16.086 -24.412 1.00 0.00 O ATOM 12 CB SER A 2 8.615 -18.664 -23.581 1.00 0.00 C ATOM 13 OG SER A 2 8.664 -19.594 -22.513 1.00 0.00 O ATOM 0 H SER A 2 5.537 -18.548 -23.255 1.00 0.00 H new ATOM 0 HA SER A 2 7.287 -17.507 -22.348 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.515 -19.196 -24.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.551 -18.107 -23.626 1.00 0.00 H new ATOM 0 HG SER A 2 9.419 -20.205 -22.646 1.00 0.00 H new ATOM 19 N SER A 3 6.741 -15.550 -24.303 1.00 0.00 N ATOM 20 CA SER A 3 6.914 -14.254 -24.948 1.00 0.00 C ATOM 21 C SER A 3 8.135 -13.529 -24.390 1.00 0.00 C ATOM 22 O SER A 3 8.923 -12.951 -25.138 1.00 0.00 O ATOM 23 CB SER A 3 5.664 -13.393 -24.753 1.00 0.00 C ATOM 24 OG SER A 3 5.922 -12.038 -25.079 1.00 0.00 O ATOM 0 H SER A 3 5.780 -15.764 -24.038 1.00 0.00 H new ATOM 0 HA SER A 3 7.068 -14.424 -26.014 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.856 -13.773 -25.378 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.328 -13.464 -23.719 1.00 0.00 H new ATOM 0 HG SER A 3 5.107 -11.509 -24.948 1.00 0.00 H new ATOM 30 N GLY A 4 8.286 -13.565 -23.070 1.00 0.00 N ATOM 31 CA GLY A 4 9.413 -12.908 -22.433 1.00 0.00 C ATOM 32 C GLY A 4 9.050 -12.306 -21.091 1.00 0.00 C ATOM 33 O GLY A 4 7.999 -12.613 -20.528 1.00 0.00 O ATOM 0 H GLY A 4 7.648 -14.038 -22.430 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.220 -13.628 -22.298 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.791 -12.124 -23.089 1.00 0.00 H new ATOM 37 N SER A 5 9.923 -11.446 -20.574 1.00 0.00 N ATOM 38 CA SER A 5 9.692 -10.803 -19.286 1.00 0.00 C ATOM 39 C SER A 5 10.351 -9.428 -19.239 1.00 0.00 C ATOM 40 O SER A 5 11.500 -9.265 -19.649 1.00 0.00 O ATOM 41 CB SER A 5 10.229 -11.678 -18.152 1.00 0.00 C ATOM 42 OG SER A 5 9.627 -12.961 -18.169 1.00 0.00 O ATOM 0 H SER A 5 10.797 -11.179 -21.028 1.00 0.00 H new ATOM 0 HA SER A 5 8.617 -10.675 -19.159 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.310 -11.779 -18.247 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.037 -11.195 -17.194 1.00 0.00 H new ATOM 0 HG SER A 5 9.988 -13.502 -17.436 1.00 0.00 H new ATOM 48 N SER A 6 9.615 -8.442 -18.737 1.00 0.00 N ATOM 49 CA SER A 6 10.126 -7.080 -18.639 1.00 0.00 C ATOM 50 C SER A 6 11.512 -7.064 -18.002 1.00 0.00 C ATOM 51 O SER A 6 11.748 -7.717 -16.986 1.00 0.00 O ATOM 52 CB SER A 6 9.167 -6.210 -17.824 1.00 0.00 C ATOM 53 OG SER A 6 7.938 -6.029 -18.506 1.00 0.00 O ATOM 0 H SER A 6 8.663 -8.561 -18.392 1.00 0.00 H new ATOM 0 HA SER A 6 10.204 -6.674 -19.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.984 -6.675 -16.855 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.626 -5.240 -17.631 1.00 0.00 H new ATOM 0 HG SER A 6 7.342 -5.471 -17.964 1.00 0.00 H new ATOM 59 N GLY A 7 12.426 -6.312 -18.607 1.00 0.00 N ATOM 60 CA GLY A 7 13.778 -6.224 -18.086 1.00 0.00 C ATOM 61 C GLY A 7 14.166 -4.805 -17.718 1.00 0.00 C ATOM 62 O GLY A 7 15.111 -4.247 -18.277 1.00 0.00 O ATOM 0 H GLY A 7 12.255 -5.762 -19.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.867 -6.862 -17.206 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.477 -6.607 -18.830 1.00 0.00 H new ATOM 66 N THR A 8 13.435 -4.219 -16.775 1.00 0.00 N ATOM 67 CA THR A 8 13.706 -2.856 -16.335 1.00 0.00 C ATOM 68 C THR A 8 14.784 -2.830 -15.258 1.00 0.00 C ATOM 69 O THR A 8 14.690 -3.537 -14.255 1.00 0.00 O ATOM 70 CB THR A 8 12.435 -2.178 -15.790 1.00 0.00 C ATOM 71 OG1 THR A 8 11.424 -2.145 -16.804 1.00 0.00 O ATOM 72 CG2 THR A 8 12.735 -0.763 -15.320 1.00 0.00 C ATOM 0 H THR A 8 12.651 -4.667 -16.301 1.00 0.00 H new ATOM 0 HA THR A 8 14.056 -2.306 -17.209 1.00 0.00 H new ATOM 0 HB THR A 8 12.077 -2.758 -14.939 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.619 -1.714 -16.449 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.822 -0.305 -14.940 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.483 -0.794 -14.528 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.115 -0.175 -16.155 1.00 0.00 H new ATOM 80 N TYR A 9 15.808 -2.010 -15.471 1.00 0.00 N ATOM 81 CA TYR A 9 16.905 -1.894 -14.518 1.00 0.00 C ATOM 82 C TYR A 9 16.377 -1.738 -13.095 1.00 0.00 C ATOM 83 O TYR A 9 15.176 -1.568 -12.882 1.00 0.00 O ATOM 84 CB TYR A 9 17.795 -0.702 -14.876 1.00 0.00 C ATOM 85 CG TYR A 9 17.068 0.624 -14.857 1.00 0.00 C ATOM 86 CD1 TYR A 9 16.563 1.144 -13.671 1.00 0.00 C ATOM 87 CD2 TYR A 9 16.886 1.356 -16.024 1.00 0.00 C ATOM 88 CE1 TYR A 9 15.898 2.355 -13.649 1.00 0.00 C ATOM 89 CE2 TYR A 9 16.223 2.568 -16.010 1.00 0.00 C ATOM 90 CZ TYR A 9 15.731 3.063 -14.821 1.00 0.00 C ATOM 91 OH TYR A 9 15.069 4.269 -14.803 1.00 0.00 O ATOM 0 H TYR A 9 15.901 -1.416 -16.295 1.00 0.00 H new ATOM 0 HA TYR A 9 17.495 -2.809 -14.569 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.630 -0.659 -14.176 1.00 0.00 H new ATOM 0 HB3 TYR A 9 18.219 -0.860 -15.868 1.00 0.00 H new ATOM 0 HD1 TYR A 9 16.693 0.592 -12.752 1.00 0.00 H new ATOM 0 HD2 TYR A 9 17.269 0.971 -16.957 1.00 0.00 H new ATOM 0 HE1 TYR A 9 15.511 2.745 -12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 9 16.091 3.125 -16.926 1.00 0.00 H new ATOM 0 HH TYR A 9 15.038 4.639 -15.710 1.00 0.00 H new ATOM 101 N ASP A 10 17.282 -1.799 -12.125 1.00 0.00 N ATOM 102 CA ASP A 10 16.910 -1.664 -10.722 1.00 0.00 C ATOM 103 C ASP A 10 16.792 -0.194 -10.330 1.00 0.00 C ATOM 104 O ASP A 10 17.628 0.627 -10.706 1.00 0.00 O ATOM 105 CB ASP A 10 17.938 -2.361 -9.830 1.00 0.00 C ATOM 106 CG ASP A 10 19.364 -2.087 -10.266 1.00 0.00 C ATOM 107 OD1 ASP A 10 19.611 -1.006 -10.840 1.00 0.00 O ATOM 108 OD2 ASP A 10 20.232 -2.954 -10.034 1.00 0.00 O ATOM 0 H ASP A 10 18.279 -1.941 -12.285 1.00 0.00 H new ATOM 0 HA ASP A 10 15.939 -2.138 -10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.806 -2.029 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.757 -3.436 -9.844 1.00 0.00 H new ATOM 113 N GLU A 11 15.748 0.130 -9.574 1.00 0.00 N ATOM 114 CA GLU A 11 15.520 1.501 -9.133 1.00 0.00 C ATOM 115 C GLU A 11 15.825 1.652 -7.646 1.00 0.00 C ATOM 116 O GLU A 11 15.612 0.728 -6.860 1.00 0.00 O ATOM 117 CB GLU A 11 14.075 1.917 -9.414 1.00 0.00 C ATOM 118 CG GLU A 11 13.044 1.061 -8.697 1.00 0.00 C ATOM 119 CD GLU A 11 12.650 -0.167 -9.495 1.00 0.00 C ATOM 120 OE1 GLU A 11 11.698 -0.071 -10.299 1.00 0.00 O ATOM 121 OE2 GLU A 11 13.291 -1.223 -9.316 1.00 0.00 O ATOM 0 H GLU A 11 15.047 -0.538 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 11 16.193 2.152 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.941 2.957 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.894 1.866 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.443 0.750 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.156 1.660 -8.496 1.00 0.00 H new ATOM 128 N TYR A 12 16.324 2.823 -7.266 1.00 0.00 N ATOM 129 CA TYR A 12 16.661 3.096 -5.874 1.00 0.00 C ATOM 130 C TYR A 12 15.574 2.576 -4.939 1.00 0.00 C ATOM 131 O TYR A 12 14.383 2.721 -5.213 1.00 0.00 O ATOM 132 CB TYR A 12 16.859 4.597 -5.660 1.00 0.00 C ATOM 133 CG TYR A 12 17.217 4.964 -4.237 1.00 0.00 C ATOM 134 CD1 TYR A 12 18.451 4.616 -3.699 1.00 0.00 C ATOM 135 CD2 TYR A 12 16.323 5.656 -3.431 1.00 0.00 C ATOM 136 CE1 TYR A 12 18.782 4.948 -2.400 1.00 0.00 C ATOM 137 CE2 TYR A 12 16.646 5.993 -2.131 1.00 0.00 C ATOM 138 CZ TYR A 12 17.877 5.637 -1.620 1.00 0.00 C ATOM 139 OH TYR A 12 18.202 5.970 -0.325 1.00 0.00 O ATOM 0 H TYR A 12 16.504 3.599 -7.903 1.00 0.00 H new ATOM 0 HA TYR A 12 17.592 2.578 -5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 12 17.646 4.950 -6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 12 15.945 5.119 -5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.162 4.077 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 12 15.358 5.936 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 12 19.745 4.670 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 12 15.939 6.532 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 12 17.455 6.454 0.086 1.00 0.00 H new ATOM 149 N GLU A 13 15.994 1.971 -3.832 1.00 0.00 N ATOM 150 CA GLU A 13 15.056 1.430 -2.855 1.00 0.00 C ATOM 151 C GLU A 13 15.562 1.654 -1.433 1.00 0.00 C ATOM 152 O GLU A 13 16.722 1.383 -1.126 1.00 0.00 O ATOM 153 CB GLU A 13 14.836 -0.065 -3.100 1.00 0.00 C ATOM 154 CG GLU A 13 13.495 -0.573 -2.599 1.00 0.00 C ATOM 155 CD GLU A 13 13.552 -1.045 -1.159 1.00 0.00 C ATOM 156 OE1 GLU A 13 13.365 -0.206 -0.252 1.00 0.00 O ATOM 157 OE2 GLU A 13 13.782 -2.252 -0.938 1.00 0.00 O ATOM 0 H GLU A 13 16.977 1.843 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 13 14.107 1.954 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.914 -0.265 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.633 -0.626 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.753 0.221 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.161 -1.394 -3.234 1.00 0.00 H new ATOM 164 N ASN A 14 14.682 2.151 -0.570 1.00 0.00 N ATOM 165 CA ASN A 14 15.038 2.414 0.819 1.00 0.00 C ATOM 166 C ASN A 14 14.125 1.646 1.770 1.00 0.00 C ATOM 167 O ASN A 14 14.588 0.842 2.579 1.00 0.00 O ATOM 168 CB ASN A 14 14.956 3.913 1.115 1.00 0.00 C ATOM 169 CG ASN A 14 15.855 4.326 2.264 1.00 0.00 C ATOM 170 OD1 ASN A 14 15.388 4.853 3.274 1.00 0.00 O ATOM 171 ND2 ASN A 14 17.153 4.088 2.115 1.00 0.00 N ATOM 0 H ASN A 14 13.717 2.380 -0.808 1.00 0.00 H new ATOM 0 HA ASN A 14 16.062 2.076 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.233 4.473 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.925 4.178 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 14 17.807 4.344 2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.496 3.649 1.261 1.00 0.00 H new ATOM 178 N ASP A 15 12.825 1.899 1.665 1.00 0.00 N ATOM 179 CA ASP A 15 11.845 1.230 2.514 1.00 0.00 C ATOM 180 C ASP A 15 10.445 1.342 1.919 1.00 0.00 C ATOM 181 O ASP A 15 10.095 2.356 1.314 1.00 0.00 O ATOM 182 CB ASP A 15 11.865 1.829 3.921 1.00 0.00 C ATOM 183 CG ASP A 15 12.038 3.335 3.907 1.00 0.00 C ATOM 184 OD1 ASP A 15 13.195 3.799 3.830 1.00 0.00 O ATOM 185 OD2 ASP A 15 11.017 4.050 3.971 1.00 0.00 O ATOM 0 H ASP A 15 12.425 2.562 1.001 1.00 0.00 H new ATOM 0 HA ASP A 15 12.111 0.175 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.936 1.578 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.676 1.378 4.493 1.00 0.00 H new ATOM 190 N LEU A 16 9.648 0.294 2.094 1.00 0.00 N ATOM 191 CA LEU A 16 8.285 0.273 1.574 1.00 0.00 C ATOM 192 C LEU A 16 7.308 0.869 2.582 1.00 0.00 C ATOM 193 O LEU A 16 6.101 0.651 2.496 1.00 0.00 O ATOM 194 CB LEU A 16 7.871 -1.159 1.230 1.00 0.00 C ATOM 195 CG LEU A 16 8.809 -1.923 0.295 1.00 0.00 C ATOM 196 CD1 LEU A 16 8.502 -3.412 0.331 1.00 0.00 C ATOM 197 CD2 LEU A 16 8.698 -1.388 -1.125 1.00 0.00 C ATOM 0 H LEU A 16 9.922 -0.553 2.592 1.00 0.00 H new ATOM 0 HA LEU A 16 8.259 0.879 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.779 -1.722 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.881 -1.130 0.775 1.00 0.00 H new ATOM 0 HG LEU A 16 9.833 -1.776 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.179 -3.940 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.633 -3.786 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.473 -3.579 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.372 -1.943 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.674 -1.505 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.968 -0.332 -1.138 1.00 0.00 H new ATOM 209 N GLY A 17 7.840 1.626 3.538 1.00 0.00 N ATOM 210 CA GLY A 17 7.001 2.244 4.548 1.00 0.00 C ATOM 211 C GLY A 17 5.838 1.361 4.955 1.00 0.00 C ATOM 212 O GLY A 17 6.004 0.157 5.152 1.00 0.00 O ATOM 0 H GLY A 17 8.837 1.822 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.604 2.473 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.618 3.191 4.168 1.00 0.00 H new ATOM 216 N ILE A 18 4.659 1.960 5.084 1.00 0.00 N ATOM 217 CA ILE A 18 3.465 1.219 5.471 1.00 0.00 C ATOM 218 C ILE A 18 2.855 0.495 4.275 1.00 0.00 C ATOM 219 O ILE A 18 2.759 1.051 3.181 1.00 0.00 O ATOM 220 CB ILE A 18 2.403 2.147 6.091 1.00 0.00 C ATOM 221 CG1 ILE A 18 2.939 2.786 7.374 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.123 1.374 6.372 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.249 4.082 7.737 1.00 0.00 C ATOM 0 H ILE A 18 4.505 2.956 4.926 1.00 0.00 H new ATOM 0 HA ILE A 18 3.776 0.487 6.216 1.00 0.00 H new ATOM 0 HB ILE A 18 2.176 2.941 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.825 2.080 8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.007 2.972 7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.382 2.043 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.734 0.963 5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.334 0.562 7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.680 4.478 8.657 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.385 4.804 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.185 3.899 7.884 1.00 0.00 H new ATOM 235 N THR A 19 2.442 -0.750 4.492 1.00 0.00 N ATOM 236 CA THR A 19 1.841 -1.551 3.433 1.00 0.00 C ATOM 237 C THR A 19 0.435 -2.000 3.815 1.00 0.00 C ATOM 238 O THR A 19 0.150 -2.254 4.985 1.00 0.00 O ATOM 239 CB THR A 19 2.695 -2.792 3.114 1.00 0.00 C ATOM 240 OG1 THR A 19 2.841 -3.601 4.287 1.00 0.00 O ATOM 241 CG2 THR A 19 4.067 -2.387 2.597 1.00 0.00 C ATOM 0 H THR A 19 2.513 -1.225 5.392 1.00 0.00 H new ATOM 0 HA THR A 19 1.790 -0.918 2.547 1.00 0.00 H new ATOM 0 HB THR A 19 2.187 -3.365 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.384 -4.389 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.652 -3.281 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.953 -1.796 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.580 -1.793 3.354 1.00 0.00 H new ATOM 249 N ALA A 20 -0.441 -2.095 2.820 1.00 0.00 N ATOM 250 CA ALA A 20 -1.817 -2.516 3.051 1.00 0.00 C ATOM 251 C ALA A 20 -2.348 -3.327 1.874 1.00 0.00 C ATOM 252 O ALA A 20 -1.785 -3.294 0.780 1.00 0.00 O ATOM 253 CB ALA A 20 -2.704 -1.306 3.304 1.00 0.00 C ATOM 0 H ALA A 20 -0.222 -1.886 1.846 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.832 -3.154 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.729 -1.636 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.345 -0.768 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.675 -0.646 2.437 1.00 0.00 H new ATOM 259 N VAL A 21 -3.436 -4.056 2.106 1.00 0.00 N ATOM 260 CA VAL A 21 -4.043 -4.875 1.064 1.00 0.00 C ATOM 261 C VAL A 21 -5.499 -4.484 0.836 1.00 0.00 C ATOM 262 O VAL A 21 -6.266 -4.325 1.785 1.00 0.00 O ATOM 263 CB VAL A 21 -3.975 -6.373 1.417 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.957 -6.704 2.532 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.248 -7.223 0.186 1.00 0.00 C ATOM 0 H VAL A 21 -3.914 -4.096 3.006 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.475 -4.698 0.151 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.969 -6.600 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.895 -7.766 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.711 -6.120 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.970 -6.463 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.196 -8.278 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.241 -6.995 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.503 -7.006 -0.579 1.00 0.00 H new ATOM 275 N ALA A 22 -5.873 -4.330 -0.430 1.00 0.00 N ATOM 276 CA ALA A 22 -7.238 -3.959 -0.783 1.00 0.00 C ATOM 277 C ALA A 22 -8.210 -5.094 -0.482 1.00 0.00 C ATOM 278 O ALA A 22 -7.881 -6.269 -0.652 1.00 0.00 O ATOM 279 CB ALA A 22 -7.315 -3.570 -2.252 1.00 0.00 C ATOM 0 H ALA A 22 -5.250 -4.456 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.524 -3.100 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.340 -3.295 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.656 -2.722 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.005 -4.414 -2.869 1.00 0.00 H new ATOM 285 N LEU A 23 -9.409 -4.737 -0.035 1.00 0.00 N ATOM 286 CA LEU A 23 -10.430 -5.726 0.290 1.00 0.00 C ATOM 287 C LEU A 23 -11.492 -5.793 -0.803 1.00 0.00 C ATOM 288 O LEU A 23 -12.035 -6.860 -1.091 1.00 0.00 O ATOM 289 CB LEU A 23 -11.084 -5.391 1.632 1.00 0.00 C ATOM 290 CG LEU A 23 -10.130 -5.151 2.802 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.870 -4.527 3.975 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.461 -6.452 3.222 1.00 0.00 C ATOM 0 H LEU A 23 -9.698 -3.770 0.111 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.947 -6.700 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.698 -4.500 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.757 -6.206 1.899 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.355 -4.457 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.175 -4.364 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.300 -3.573 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.667 -5.196 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.786 -6.261 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.222 -7.170 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.896 -6.858 2.383 1.00 0.00 H new ATOM 304 N TYR A 24 -11.781 -4.647 -1.410 1.00 0.00 N ATOM 305 CA TYR A 24 -12.778 -4.575 -2.471 1.00 0.00 C ATOM 306 C TYR A 24 -12.257 -3.763 -3.653 1.00 0.00 C ATOM 307 O TYR A 24 -11.369 -2.925 -3.501 1.00 0.00 O ATOM 308 CB TYR A 24 -14.073 -3.955 -1.943 1.00 0.00 C ATOM 309 CG TYR A 24 -14.439 -4.413 -0.550 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.803 -3.884 0.567 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.421 -5.376 -0.349 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.134 -4.301 1.842 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.759 -5.797 0.922 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.113 -5.257 2.014 1.00 0.00 C ATOM 315 OH TYR A 24 -15.446 -5.675 3.282 1.00 0.00 O ATOM 0 H TYR A 24 -11.339 -3.756 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.982 -5.590 -2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.974 -2.870 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.888 -4.202 -2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.037 -3.134 0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.928 -5.802 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.629 -3.881 2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.525 -6.545 1.060 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.154 -6.351 3.228 1.00 0.00 H new ATOM 325 N ASP A 25 -12.818 -4.018 -4.830 1.00 0.00 N ATOM 326 CA ASP A 25 -12.413 -3.310 -6.039 1.00 0.00 C ATOM 327 C ASP A 25 -12.615 -1.806 -5.883 1.00 0.00 C ATOM 328 O ASP A 25 -13.594 -1.361 -5.284 1.00 0.00 O ATOM 329 CB ASP A 25 -13.204 -3.821 -7.244 1.00 0.00 C ATOM 330 CG ASP A 25 -14.700 -3.822 -6.996 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.225 -2.788 -6.533 1.00 0.00 O ATOM 332 OD2 ASP A 25 -15.346 -4.857 -7.263 1.00 0.00 O ATOM 0 H ASP A 25 -13.554 -4.709 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.352 -3.500 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.983 -3.198 -8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.878 -4.832 -7.487 1.00 0.00 H new ATOM 337 N TYR A 26 -11.682 -1.030 -6.422 1.00 0.00 N ATOM 338 CA TYR A 26 -11.756 0.424 -6.339 1.00 0.00 C ATOM 339 C TYR A 26 -11.307 1.068 -7.648 1.00 0.00 C ATOM 340 O TYR A 26 -10.214 0.795 -8.142 1.00 0.00 O ATOM 341 CB TYR A 26 -10.892 0.934 -5.184 1.00 0.00 C ATOM 342 CG TYR A 26 -11.300 2.300 -4.681 1.00 0.00 C ATOM 343 CD1 TYR A 26 -12.257 2.436 -3.682 1.00 0.00 C ATOM 344 CD2 TYR A 26 -10.731 3.454 -5.204 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.633 3.682 -3.219 1.00 0.00 C ATOM 346 CE2 TYR A 26 -11.100 4.704 -4.746 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.052 4.813 -3.753 1.00 0.00 C ATOM 348 OH TYR A 26 -12.424 6.056 -3.296 1.00 0.00 O ATOM 0 H TYR A 26 -10.866 -1.383 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.795 0.700 -6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.944 0.222 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.852 0.971 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.714 1.553 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.987 3.373 -5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.378 3.770 -2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.646 5.591 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.919 6.745 -3.776 1.00 0.00 H new ATOM 358 N GLN A 27 -12.159 1.924 -8.201 1.00 0.00 N ATOM 359 CA GLN A 27 -11.851 2.607 -9.452 1.00 0.00 C ATOM 360 C GLN A 27 -11.794 4.117 -9.247 1.00 0.00 C ATOM 361 O GLN A 27 -12.824 4.790 -9.224 1.00 0.00 O ATOM 362 CB GLN A 27 -12.896 2.264 -10.515 1.00 0.00 C ATOM 363 CG GLN A 27 -14.322 2.567 -10.087 1.00 0.00 C ATOM 364 CD GLN A 27 -15.331 1.616 -10.702 1.00 0.00 C ATOM 365 OE1 GLN A 27 -16.221 2.031 -11.444 1.00 0.00 O ATOM 366 NE2 GLN A 27 -15.196 0.331 -10.395 1.00 0.00 N ATOM 0 H GLN A 27 -13.068 2.161 -7.803 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.873 2.267 -9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.673 2.821 -11.425 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.817 1.205 -10.762 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.391 2.511 -9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.573 3.589 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.443 0.031 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.845 -0.356 -10.779 1.00 0.00 H new ATOM 375 N ALA A 28 -10.582 4.644 -9.098 1.00 0.00 N ATOM 376 CA ALA A 28 -10.391 6.074 -8.897 1.00 0.00 C ATOM 377 C ALA A 28 -11.442 6.881 -9.652 1.00 0.00 C ATOM 378 O ALA A 28 -11.711 6.623 -10.825 1.00 0.00 O ATOM 379 CB ALA A 28 -8.992 6.486 -9.334 1.00 0.00 C ATOM 0 H ALA A 28 -9.719 4.101 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.505 6.284 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.863 7.557 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.252 5.942 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.858 6.254 -10.391 1.00 0.00 H new ATOM 385 N ALA A 29 -12.033 7.857 -8.972 1.00 0.00 N ATOM 386 CA ALA A 29 -13.054 8.702 -9.579 1.00 0.00 C ATOM 387 C ALA A 29 -12.439 9.960 -10.181 1.00 0.00 C ATOM 388 O ALA A 29 -13.106 10.711 -10.891 1.00 0.00 O ATOM 389 CB ALA A 29 -14.115 9.070 -8.552 1.00 0.00 C ATOM 0 H ALA A 29 -11.822 8.083 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.524 8.138 -10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.871 9.701 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.584 8.162 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.651 9.610 -7.727 1.00 0.00 H new ATOM 395 N GLY A 30 -11.160 10.185 -9.892 1.00 0.00 N ATOM 396 CA GLY A 30 -10.477 11.354 -10.412 1.00 0.00 C ATOM 397 C GLY A 30 -9.042 11.061 -10.805 1.00 0.00 C ATOM 398 O GLY A 30 -8.535 9.967 -10.555 1.00 0.00 O ATOM 0 H GLY A 30 -10.586 9.578 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.018 11.731 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.491 12.143 -9.660 1.00 0.00 H new ATOM 402 N ASP A 31 -8.388 12.038 -11.422 1.00 0.00 N ATOM 403 CA ASP A 31 -7.003 11.879 -11.851 1.00 0.00 C ATOM 404 C ASP A 31 -6.049 12.017 -10.669 1.00 0.00 C ATOM 405 O ASP A 31 -4.852 11.755 -10.790 1.00 0.00 O ATOM 406 CB ASP A 31 -6.657 12.912 -12.925 1.00 0.00 C ATOM 407 CG ASP A 31 -7.307 12.600 -14.258 1.00 0.00 C ATOM 408 OD1 ASP A 31 -8.380 11.960 -14.261 1.00 0.00 O ATOM 409 OD2 ASP A 31 -6.744 12.996 -15.300 1.00 0.00 O ATOM 0 H ASP A 31 -8.794 12.949 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.891 10.879 -12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.975 13.900 -12.591 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.575 12.952 -13.052 1.00 0.00 H new ATOM 414 N ASP A 32 -6.586 12.432 -9.527 1.00 0.00 N ATOM 415 CA ASP A 32 -5.783 12.605 -8.322 1.00 0.00 C ATOM 416 C ASP A 32 -5.748 11.319 -7.502 1.00 0.00 C ATOM 417 O ASP A 32 -4.792 11.065 -6.770 1.00 0.00 O ATOM 418 CB ASP A 32 -6.337 13.751 -7.474 1.00 0.00 C ATOM 419 CG ASP A 32 -6.708 14.962 -8.307 1.00 0.00 C ATOM 420 OD1 ASP A 32 -7.868 15.035 -8.764 1.00 0.00 O ATOM 421 OD2 ASP A 32 -5.838 15.836 -8.502 1.00 0.00 O ATOM 0 H ASP A 32 -7.574 12.655 -9.410 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.765 12.848 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.216 13.405 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.595 14.040 -6.729 1.00 0.00 H new ATOM 426 N GLU A 33 -6.797 10.513 -7.630 1.00 0.00 N ATOM 427 CA GLU A 33 -6.886 9.255 -6.899 1.00 0.00 C ATOM 428 C GLU A 33 -6.242 8.119 -7.690 1.00 0.00 C ATOM 429 O GLU A 33 -5.798 8.312 -8.822 1.00 0.00 O ATOM 430 CB GLU A 33 -8.347 8.916 -6.599 1.00 0.00 C ATOM 431 CG GLU A 33 -9.023 9.908 -5.666 1.00 0.00 C ATOM 432 CD GLU A 33 -9.694 11.045 -6.412 1.00 0.00 C ATOM 433 OE1 GLU A 33 -9.298 11.316 -7.564 1.00 0.00 O ATOM 434 OE2 GLU A 33 -10.617 11.664 -5.841 1.00 0.00 O ATOM 0 H GLU A 33 -7.596 10.709 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.347 9.372 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.902 8.876 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.397 7.921 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.766 9.386 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.283 10.316 -4.978 1.00 0.00 H new ATOM 441 N ILE A 34 -6.194 6.937 -7.085 1.00 0.00 N ATOM 442 CA ILE A 34 -5.605 5.772 -7.732 1.00 0.00 C ATOM 443 C ILE A 34 -6.570 4.591 -7.721 1.00 0.00 C ATOM 444 O ILE A 34 -7.363 4.432 -6.793 1.00 0.00 O ATOM 445 CB ILE A 34 -4.291 5.352 -7.047 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.480 5.282 -5.531 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.175 6.323 -7.403 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.344 4.589 -4.812 1.00 0.00 C ATOM 0 H ILE A 34 -6.556 6.761 -6.148 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.394 6.057 -8.763 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.012 4.361 -7.405 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.584 6.294 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.411 4.758 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.253 6.013 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.027 6.327 -8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.445 7.325 -7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.545 4.576 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.253 3.566 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.414 5.125 -5.000 1.00 0.00 H new ATOM 460 N SER A 35 -6.496 3.764 -8.759 1.00 0.00 N ATOM 461 CA SER A 35 -7.364 2.598 -8.870 1.00 0.00 C ATOM 462 C SER A 35 -6.577 1.310 -8.644 1.00 0.00 C ATOM 463 O SER A 35 -5.487 1.132 -9.188 1.00 0.00 O ATOM 464 CB SER A 35 -8.035 2.564 -10.245 1.00 0.00 C ATOM 465 OG SER A 35 -7.083 2.342 -11.271 1.00 0.00 O ATOM 0 H SER A 35 -5.844 3.880 -9.535 1.00 0.00 H new ATOM 0 HA SER A 35 -8.132 2.674 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.788 1.776 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.554 3.506 -10.423 1.00 0.00 H new ATOM 0 HG SER A 35 -7.537 2.323 -12.140 1.00 0.00 H new ATOM 471 N PHE A 36 -7.138 0.416 -7.837 1.00 0.00 N ATOM 472 CA PHE A 36 -6.489 -0.855 -7.537 1.00 0.00 C ATOM 473 C PHE A 36 -7.520 -1.971 -7.392 1.00 0.00 C ATOM 474 O PHE A 36 -8.663 -1.729 -7.005 1.00 0.00 O ATOM 475 CB PHE A 36 -5.662 -0.740 -6.255 1.00 0.00 C ATOM 476 CG PHE A 36 -6.305 0.117 -5.202 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.527 -0.237 -4.652 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.688 1.277 -4.761 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.121 0.550 -3.684 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.277 2.068 -3.793 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.495 1.703 -3.253 1.00 0.00 C ATOM 0 H PHE A 36 -8.040 0.548 -7.379 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.827 -1.101 -8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.496 -1.738 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.683 -0.328 -6.499 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.021 -1.138 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.735 1.566 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.074 0.264 -3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.786 2.970 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.957 2.318 -2.495 1.00 0.00 H new ATOM 491 N ASP A 37 -7.107 -3.194 -7.707 1.00 0.00 N ATOM 492 CA ASP A 37 -7.993 -4.348 -7.612 1.00 0.00 C ATOM 493 C ASP A 37 -8.008 -4.907 -6.193 1.00 0.00 C ATOM 494 O ASP A 37 -7.126 -4.628 -5.381 1.00 0.00 O ATOM 495 CB ASP A 37 -7.557 -5.435 -8.597 1.00 0.00 C ATOM 496 CG ASP A 37 -8.249 -5.311 -9.940 1.00 0.00 C ATOM 497 OD1 ASP A 37 -9.387 -4.798 -9.975 1.00 0.00 O ATOM 498 OD2 ASP A 37 -7.653 -5.727 -10.955 1.00 0.00 O ATOM 0 H ASP A 37 -6.164 -3.412 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.002 -4.022 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.478 -5.379 -8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.771 -6.415 -8.170 1.00 0.00 H new ATOM 503 N PRO A 38 -9.034 -5.713 -5.885 1.00 0.00 N ATOM 504 CA PRO A 38 -9.189 -6.327 -4.562 1.00 0.00 C ATOM 505 C PRO A 38 -8.138 -7.399 -4.294 1.00 0.00 C ATOM 506 O PRO A 38 -7.819 -8.202 -5.171 1.00 0.00 O ATOM 507 CB PRO A 38 -10.586 -6.951 -4.622 1.00 0.00 C ATOM 508 CG PRO A 38 -10.829 -7.196 -6.072 1.00 0.00 C ATOM 509 CD PRO A 38 -10.122 -6.089 -6.803 1.00 0.00 C ATOM 0 HA PRO A 38 -9.066 -5.601 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.630 -7.878 -4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.337 -6.282 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.444 -8.170 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.896 -7.192 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.737 -6.425 -7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.788 -5.249 -7.002 1.00 0.00 H new ATOM 517 N ASP A 39 -7.604 -7.406 -3.078 1.00 0.00 N ATOM 518 CA ASP A 39 -6.590 -8.381 -2.694 1.00 0.00 C ATOM 519 C ASP A 39 -5.241 -8.036 -3.316 1.00 0.00 C ATOM 520 O ASP A 39 -4.470 -8.923 -3.683 1.00 0.00 O ATOM 521 CB ASP A 39 -7.017 -9.787 -3.119 1.00 0.00 C ATOM 522 CG ASP A 39 -6.267 -10.871 -2.370 1.00 0.00 C ATOM 523 OD1 ASP A 39 -5.811 -10.604 -1.239 1.00 0.00 O ATOM 524 OD2 ASP A 39 -6.136 -11.987 -2.916 1.00 0.00 O ATOM 0 H ASP A 39 -7.856 -6.747 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.487 -8.353 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.087 -9.906 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.849 -9.906 -4.189 1.00 0.00 H new ATOM 529 N ASP A 40 -4.963 -6.742 -3.432 1.00 0.00 N ATOM 530 CA ASP A 40 -3.707 -6.278 -4.010 1.00 0.00 C ATOM 531 C ASP A 40 -2.740 -5.830 -2.919 1.00 0.00 C ATOM 532 O ASP A 40 -3.085 -5.817 -1.737 1.00 0.00 O ATOM 533 CB ASP A 40 -3.963 -5.129 -4.986 1.00 0.00 C ATOM 534 CG ASP A 40 -4.250 -5.617 -6.392 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.584 -6.575 -6.836 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.143 -5.041 -7.049 1.00 0.00 O ATOM 0 H ASP A 40 -5.591 -5.996 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.256 -7.109 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.806 -4.536 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.095 -4.470 -5.003 1.00 0.00 H new ATOM 541 N ILE A 41 -1.528 -5.464 -3.323 1.00 0.00 N ATOM 542 CA ILE A 41 -0.511 -5.015 -2.380 1.00 0.00 C ATOM 543 C ILE A 41 -0.067 -3.589 -2.688 1.00 0.00 C ATOM 544 O ILE A 41 0.259 -3.263 -3.830 1.00 0.00 O ATOM 545 CB ILE A 41 0.720 -5.940 -2.397 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.308 -7.380 -2.085 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.761 -5.453 -1.400 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.354 -7.540 -0.735 1.00 0.00 C ATOM 0 H ILE A 41 -1.226 -5.470 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.964 -5.045 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 41 1.160 -5.917 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.375 -7.730 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.190 -8.019 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.625 -6.117 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.072 -4.442 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.332 -5.451 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.619 -8.586 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.334 -7.221 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.255 -6.928 -0.697 1.00 0.00 H new ATOM 560 N ILE A 42 -0.055 -2.745 -1.662 1.00 0.00 N ATOM 561 CA ILE A 42 0.353 -1.354 -1.823 1.00 0.00 C ATOM 562 C ILE A 42 1.519 -1.014 -0.902 1.00 0.00 C ATOM 563 O ILE A 42 1.617 -1.528 0.212 1.00 0.00 O ATOM 564 CB ILE A 42 -0.812 -0.389 -1.536 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.896 -0.530 -2.607 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.309 1.045 -1.470 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.910 -1.611 -2.302 1.00 0.00 C ATOM 0 H ILE A 42 -0.323 -2.999 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 42 0.665 -1.234 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.246 -0.646 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.414 0.423 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.423 -0.747 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.145 1.715 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.430 1.135 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.148 1.314 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.648 -1.654 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.404 -2.573 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.410 -1.385 -1.360 1.00 0.00 H new ATOM 579 N THR A 43 2.404 -0.140 -1.374 1.00 0.00 N ATOM 580 CA THR A 43 3.563 0.271 -0.594 1.00 0.00 C ATOM 581 C THR A 43 3.737 1.785 -0.622 1.00 0.00 C ATOM 582 O THR A 43 3.121 2.475 -1.434 1.00 0.00 O ATOM 583 CB THR A 43 4.853 -0.392 -1.113 1.00 0.00 C ATOM 584 OG1 THR A 43 5.131 0.053 -2.445 1.00 0.00 O ATOM 585 CG2 THR A 43 4.728 -1.908 -1.095 1.00 0.00 C ATOM 0 H THR A 43 2.339 0.296 -2.294 1.00 0.00 H new ATOM 0 HA THR A 43 3.384 -0.052 0.431 1.00 0.00 H new ATOM 0 HB THR A 43 5.673 -0.103 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.556 0.935 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.651 -2.354 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.546 -2.246 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.897 -2.212 -1.732 1.00 0.00 H new ATOM 593 N ASN A 44 4.580 2.297 0.269 1.00 0.00 N ATOM 594 CA ASN A 44 4.835 3.731 0.345 1.00 0.00 C ATOM 595 C ASN A 44 3.558 4.492 0.686 1.00 0.00 C ATOM 596 O ASN A 44 3.277 5.543 0.108 1.00 0.00 O ATOM 597 CB ASN A 44 5.407 4.239 -0.980 1.00 0.00 C ATOM 598 CG ASN A 44 6.579 3.407 -1.461 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.594 2.933 -2.597 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.570 3.224 -0.596 1.00 0.00 N ATOM 0 H ASN A 44 5.098 1.740 0.949 1.00 0.00 H new ATOM 0 HA ASN A 44 5.563 3.905 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.624 4.230 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.725 5.275 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.385 2.672 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.516 3.635 0.336 1.00 0.00 H new ATOM 607 N ILE A 45 2.789 3.956 1.628 1.00 0.00 N ATOM 608 CA ILE A 45 1.544 4.586 2.047 1.00 0.00 C ATOM 609 C ILE A 45 1.807 5.730 3.020 1.00 0.00 C ATOM 610 O ILE A 45 2.651 5.621 3.909 1.00 0.00 O ATOM 611 CB ILE A 45 0.595 3.571 2.711 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.067 2.579 1.673 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.556 4.291 3.397 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.697 1.421 2.277 1.00 0.00 C ATOM 0 H ILE A 45 3.007 3.087 2.115 1.00 0.00 H new ATOM 0 HA ILE A 45 1.071 4.979 1.147 1.00 0.00 H new ATOM 0 HB ILE A 45 1.152 3.016 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.582 3.107 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.905 2.189 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.218 3.560 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.162 4.961 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.114 4.869 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.041 0.759 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.045 0.868 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.556 1.801 2.831 1.00 0.00 H new ATOM 626 N GLU A 46 1.076 6.828 2.846 1.00 0.00 N ATOM 627 CA GLU A 46 1.231 7.992 3.710 1.00 0.00 C ATOM 628 C GLU A 46 -0.084 8.330 4.407 1.00 0.00 C ATOM 629 O GLU A 46 -1.140 8.375 3.776 1.00 0.00 O ATOM 630 CB GLU A 46 1.715 9.196 2.899 1.00 0.00 C ATOM 631 CG GLU A 46 3.228 9.296 2.804 1.00 0.00 C ATOM 632 CD GLU A 46 3.882 7.966 2.483 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.892 7.579 1.296 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.385 7.312 3.421 1.00 0.00 O ATOM 0 H GLU A 46 0.372 6.935 2.116 1.00 0.00 H new ATOM 0 HA GLU A 46 1.975 7.752 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.299 9.137 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.327 10.108 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.493 10.022 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.623 9.673 3.747 1.00 0.00 H new ATOM 641 N MET A 47 -0.011 8.568 5.713 1.00 0.00 N ATOM 642 CA MET A 47 -1.195 8.902 6.496 1.00 0.00 C ATOM 643 C MET A 47 -1.403 10.413 6.548 1.00 0.00 C ATOM 644 O MET A 47 -0.736 11.114 7.309 1.00 0.00 O ATOM 645 CB MET A 47 -1.069 8.344 7.914 1.00 0.00 C ATOM 646 CG MET A 47 -0.897 6.834 7.960 1.00 0.00 C ATOM 647 SD MET A 47 -1.222 6.147 9.595 1.00 0.00 S ATOM 648 CE MET A 47 -1.422 4.412 9.199 1.00 0.00 C ATOM 0 H MET A 47 0.855 8.536 6.251 1.00 0.00 H new ATOM 0 HA MET A 47 -2.060 8.450 6.011 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.217 8.814 8.406 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.957 8.618 8.484 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.570 6.373 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.119 6.579 7.658 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.367 4.053 9.605 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.420 4.283 8.117 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.600 3.843 9.634 1.00 0.00 H new ATOM 658 N ILE A 48 -2.330 10.906 5.734 1.00 0.00 N ATOM 659 CA ILE A 48 -2.625 12.333 5.689 1.00 0.00 C ATOM 660 C ILE A 48 -3.884 12.659 6.486 1.00 0.00 C ATOM 661 O ILE A 48 -3.837 13.411 7.460 1.00 0.00 O ATOM 662 CB ILE A 48 -2.806 12.825 4.241 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.529 12.581 3.434 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.175 14.301 4.226 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.740 12.643 1.937 1.00 0.00 C ATOM 0 H ILE A 48 -2.890 10.339 5.097 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.773 12.846 6.134 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.618 12.263 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.782 13.322 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.124 11.603 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.300 14.634 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.108 14.448 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.382 14.879 4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.793 12.461 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.464 11.884 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.115 13.629 1.663 1.00 0.00 H new ATOM 677 N ASP A 49 -5.007 12.088 6.067 1.00 0.00 N ATOM 678 CA ASP A 49 -6.279 12.316 6.743 1.00 0.00 C ATOM 679 C ASP A 49 -6.718 11.071 7.508 1.00 0.00 C ATOM 680 O ASP A 49 -6.082 10.020 7.421 1.00 0.00 O ATOM 681 CB ASP A 49 -7.355 12.712 5.731 1.00 0.00 C ATOM 682 CG ASP A 49 -7.281 14.178 5.351 1.00 0.00 C ATOM 683 OD1 ASP A 49 -7.774 15.019 6.132 1.00 0.00 O ATOM 684 OD2 ASP A 49 -6.729 14.485 4.274 1.00 0.00 O ATOM 0 H ASP A 49 -5.063 11.464 5.262 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.143 13.130 7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.249 12.101 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.339 12.497 6.148 1.00 0.00 H new ATOM 689 N ASP A 50 -7.807 11.198 8.259 1.00 0.00 N ATOM 690 CA ASP A 50 -8.330 10.084 9.041 1.00 0.00 C ATOM 691 C ASP A 50 -9.325 9.266 8.222 1.00 0.00 C ATOM 692 O ASP A 50 -10.275 8.703 8.763 1.00 0.00 O ATOM 693 CB ASP A 50 -9.001 10.598 10.315 1.00 0.00 C ATOM 694 CG ASP A 50 -8.021 10.758 11.461 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.978 10.072 11.450 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.297 11.571 12.368 1.00 0.00 O ATOM 0 H ASP A 50 -8.344 12.061 8.343 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.494 9.440 9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.476 11.557 10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.791 9.908 10.610 1.00 0.00 H new ATOM 701 N GLY A 51 -9.098 9.206 6.913 1.00 0.00 N ATOM 702 CA GLY A 51 -9.983 8.456 6.041 1.00 0.00 C ATOM 703 C GLY A 51 -9.361 8.174 4.688 1.00 0.00 C ATOM 704 O GLY A 51 -9.599 7.121 4.095 1.00 0.00 O ATOM 0 H GLY A 51 -8.318 9.663 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.247 7.513 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.910 9.013 5.903 1.00 0.00 H new ATOM 708 N TRP A 52 -8.564 9.116 4.197 1.00 0.00 N ATOM 709 CA TRP A 52 -7.907 8.964 2.904 1.00 0.00 C ATOM 710 C TRP A 52 -6.391 8.953 3.061 1.00 0.00 C ATOM 711 O TRP A 52 -5.837 9.697 3.871 1.00 0.00 O ATOM 712 CB TRP A 52 -8.327 10.092 1.960 1.00 0.00 C ATOM 713 CG TRP A 52 -9.785 10.066 1.615 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.820 10.495 2.395 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.369 9.584 0.400 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.013 10.308 1.739 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.763 9.752 0.513 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.851 9.028 -0.773 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.642 9.383 -0.502 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.724 8.662 -1.780 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.107 8.842 -1.640 1.00 0.00 C ATOM 0 H TRP A 52 -8.357 9.993 4.675 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.215 8.009 2.478 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.087 11.050 2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.743 10.025 1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.716 10.919 3.383 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.935 10.545 2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.787 8.887 -0.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.708 9.519 -0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.334 8.230 -2.690 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.763 8.548 -2.446 1.00 0.00 H new ATOM 732 N TRP A 53 -5.726 8.107 2.283 1.00 0.00 N ATOM 733 CA TRP A 53 -4.272 8.001 2.337 1.00 0.00 C ATOM 734 C TRP A 53 -3.669 8.076 0.939 1.00 0.00 C ATOM 735 O TRP A 53 -4.385 8.016 -0.060 1.00 0.00 O ATOM 736 CB TRP A 53 -3.860 6.693 3.015 1.00 0.00 C ATOM 737 CG TRP A 53 -4.292 6.605 4.447 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.459 7.643 5.318 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.610 5.413 5.174 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.862 7.168 6.543 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.962 5.804 6.481 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.633 4.054 4.848 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.331 4.884 7.458 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.999 3.142 5.820 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.345 3.560 7.112 1.00 0.00 C ATOM 0 H TRP A 53 -6.170 7.485 1.608 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.893 8.839 2.921 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.286 5.856 2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.776 6.591 2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.298 8.684 5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.055 7.739 7.366 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.370 3.722 3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.597 5.204 8.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.019 2.089 5.580 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.628 2.823 7.849 1.00 0.00 H new ATOM 756 N ARG A 54 -2.348 8.207 0.875 1.00 0.00 N ATOM 757 CA ARG A 54 -1.649 8.291 -0.402 1.00 0.00 C ATOM 758 C ARG A 54 -0.518 7.269 -0.471 1.00 0.00 C ATOM 759 O ARG A 54 0.391 7.277 0.358 1.00 0.00 O ATOM 760 CB ARG A 54 -1.091 9.699 -0.611 1.00 0.00 C ATOM 761 CG ARG A 54 -2.100 10.674 -1.193 1.00 0.00 C ATOM 762 CD ARG A 54 -1.555 12.094 -1.218 1.00 0.00 C ATOM 763 NE ARG A 54 -2.614 13.090 -1.081 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.395 14.400 -1.082 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.162 14.870 -1.212 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.411 15.244 -0.952 1.00 0.00 N ATOM 0 H ARG A 54 -1.740 8.257 1.693 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.365 8.070 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.735 10.085 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.228 9.644 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.362 10.366 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.016 10.646 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.833 12.219 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.020 12.260 -2.153 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.574 12.762 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.378 14.225 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.997 15.877 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.361 14.887 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.242 16.250 -0.953 1.00 0.00 H new ATOM 780 N GLY A 55 -0.582 6.388 -1.465 1.00 0.00 N ATOM 781 CA GLY A 55 0.441 5.372 -1.623 1.00 0.00 C ATOM 782 C GLY A 55 0.724 5.054 -3.078 1.00 0.00 C ATOM 783 O GLY A 55 -0.069 5.388 -3.959 1.00 0.00 O ATOM 0 H GLY A 55 -1.325 6.360 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.360 5.708 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.128 4.463 -1.110 1.00 0.00 H new ATOM 787 N VAL A 56 1.858 4.410 -3.333 1.00 0.00 N ATOM 788 CA VAL A 56 2.243 4.048 -4.691 1.00 0.00 C ATOM 789 C VAL A 56 1.766 2.643 -5.043 1.00 0.00 C ATOM 790 O VAL A 56 2.336 1.651 -4.588 1.00 0.00 O ATOM 791 CB VAL A 56 3.770 4.121 -4.880 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.150 3.758 -6.308 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.286 5.506 -4.518 1.00 0.00 C ATOM 0 H VAL A 56 2.527 4.128 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 56 1.766 4.768 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 56 4.236 3.398 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.232 3.815 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.815 2.744 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.675 4.454 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.367 5.540 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.814 6.249 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.048 5.722 -3.477 1.00 0.00 H new ATOM 803 N CYS A 57 0.717 2.567 -5.855 1.00 0.00 N ATOM 804 CA CYS A 57 0.162 1.283 -6.267 1.00 0.00 C ATOM 805 C CYS A 57 0.318 1.081 -7.771 1.00 0.00 C ATOM 806 O CYS A 57 -0.013 1.962 -8.565 1.00 0.00 O ATOM 807 CB CYS A 57 -1.315 1.194 -5.880 1.00 0.00 C ATOM 808 SG CYS A 57 -2.445 1.872 -7.118 1.00 0.00 S ATOM 0 H CYS A 57 0.234 3.379 -6.241 1.00 0.00 H new ATOM 0 HA CYS A 57 0.713 0.496 -5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.571 0.149 -5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.465 1.722 -4.939 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.783 2.158 -8.200 1.00 0.00 H new ATOM 814 N LYS A 58 0.827 -0.085 -8.156 1.00 0.00 N ATOM 815 CA LYS A 58 1.029 -0.404 -9.565 1.00 0.00 C ATOM 816 C LYS A 58 1.617 0.788 -10.314 1.00 0.00 C ATOM 817 O LYS A 58 1.329 0.996 -11.492 1.00 0.00 O ATOM 818 CB LYS A 58 -0.295 -0.822 -10.209 1.00 0.00 C ATOM 819 CG LYS A 58 -0.793 -2.181 -9.748 1.00 0.00 C ATOM 820 CD LYS A 58 -2.224 -2.430 -10.194 1.00 0.00 C ATOM 821 CE LYS A 58 -2.281 -2.935 -11.627 1.00 0.00 C ATOM 822 NZ LYS A 58 -3.683 -3.100 -12.102 1.00 0.00 N ATOM 0 H LYS A 58 1.107 -0.825 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 58 1.734 -1.233 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.052 -0.071 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.174 -0.837 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.145 -2.962 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.734 -2.242 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.691 -3.159 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.798 -1.508 -10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.756 -2.237 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.759 -3.890 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.679 -3.446 -13.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.177 -3.785 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.174 -2.184 -12.060 1.00 0.00 H new ATOM 836 N GLY A 59 2.444 1.567 -9.622 1.00 0.00 N ATOM 837 CA GLY A 59 3.060 2.727 -10.239 1.00 0.00 C ATOM 838 C GLY A 59 2.119 3.913 -10.312 1.00 0.00 C ATOM 839 O GLY A 59 2.073 4.615 -11.322 1.00 0.00 O ATOM 0 H GLY A 59 2.698 1.415 -8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.949 3.007 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.391 2.467 -11.245 1.00 0.00 H new ATOM 843 N ARG A 60 1.366 4.136 -9.241 1.00 0.00 N ATOM 844 CA ARG A 60 0.419 5.243 -9.189 1.00 0.00 C ATOM 845 C ARG A 60 0.289 5.781 -7.767 1.00 0.00 C ATOM 846 O ARG A 60 -0.011 5.035 -6.835 1.00 0.00 O ATOM 847 CB ARG A 60 -0.950 4.796 -9.704 1.00 0.00 C ATOM 848 CG ARG A 60 -1.137 5.007 -11.198 1.00 0.00 C ATOM 849 CD ARG A 60 -2.592 5.284 -11.543 1.00 0.00 C ATOM 850 NE ARG A 60 -3.327 4.057 -11.840 1.00 0.00 N ATOM 851 CZ ARG A 60 -3.314 3.462 -13.027 1.00 0.00 C ATOM 852 NH1 ARG A 60 -2.607 3.977 -14.023 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.009 2.348 -13.220 1.00 0.00 N ATOM 0 H ARG A 60 1.393 3.564 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 60 0.797 6.041 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.088 3.739 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.726 5.342 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.518 5.841 -11.529 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.796 4.123 -11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.070 5.800 -10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.640 5.952 -12.403 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.880 3.634 -11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.071 4.833 -13.879 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.599 3.518 -14.934 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.554 1.948 -12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.998 1.892 -14.132 1.00 0.00 H new ATOM 867 N TYR A 61 0.517 7.080 -7.609 1.00 0.00 N ATOM 868 CA TYR A 61 0.428 7.718 -6.300 1.00 0.00 C ATOM 869 C TYR A 61 -0.721 8.721 -6.260 1.00 0.00 C ATOM 870 O TYR A 61 -0.666 9.771 -6.899 1.00 0.00 O ATOM 871 CB TYR A 61 1.744 8.419 -5.961 1.00 0.00 C ATOM 872 CG TYR A 61 1.681 9.248 -4.698 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.951 8.683 -3.458 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.351 10.597 -4.746 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.893 9.437 -2.302 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.292 11.359 -3.595 1.00 0.00 C ATOM 877 CZ TYR A 61 1.564 10.774 -2.375 1.00 0.00 C ATOM 878 OH TYR A 61 1.506 11.529 -1.226 1.00 0.00 O ATOM 0 H TYR A 61 0.765 7.712 -8.370 1.00 0.00 H new ATOM 0 HA TYR A 61 0.235 6.943 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.528 7.669 -5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.028 9.062 -6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.211 7.636 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.137 11.058 -5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.104 8.982 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.035 12.406 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 61 1.261 12.451 -1.452 1.00 0.00 H new ATOM 888 N GLY A 62 -1.762 8.389 -5.502 1.00 0.00 N ATOM 889 CA GLY A 62 -2.910 9.270 -5.391 1.00 0.00 C ATOM 890 C GLY A 62 -3.688 9.048 -4.109 1.00 0.00 C ATOM 891 O GLY A 62 -3.269 8.277 -3.244 1.00 0.00 O ATOM 0 H GLY A 62 -1.831 7.526 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.575 10.306 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.569 9.112 -6.245 1.00 0.00 H new ATOM 895 N LEU A 63 -4.824 9.726 -3.984 1.00 0.00 N ATOM 896 CA LEU A 63 -5.663 9.601 -2.798 1.00 0.00 C ATOM 897 C LEU A 63 -6.527 8.346 -2.871 1.00 0.00 C ATOM 898 O LEU A 63 -7.037 7.992 -3.935 1.00 0.00 O ATOM 899 CB LEU A 63 -6.551 10.837 -2.644 1.00 0.00 C ATOM 900 CG LEU A 63 -5.946 12.005 -1.864 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.640 13.308 -2.231 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.040 11.752 -0.367 1.00 0.00 C ATOM 0 H LEU A 63 -5.185 10.368 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.010 9.520 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.821 11.192 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.475 10.537 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.893 12.090 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.196 14.128 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.521 13.496 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.701 13.235 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.605 12.593 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.086 11.640 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.497 10.841 -0.117 1.00 0.00 H new ATOM 914 N PHE A 64 -6.690 7.678 -1.734 1.00 0.00 N ATOM 915 CA PHE A 64 -7.494 6.463 -1.669 1.00 0.00 C ATOM 916 C PHE A 64 -8.045 6.250 -0.263 1.00 0.00 C ATOM 917 O PHE A 64 -7.378 6.512 0.739 1.00 0.00 O ATOM 918 CB PHE A 64 -6.660 5.252 -2.092 1.00 0.00 C ATOM 919 CG PHE A 64 -5.598 4.878 -1.097 1.00 0.00 C ATOM 920 CD1 PHE A 64 -4.340 5.455 -1.158 1.00 0.00 C ATOM 921 CD2 PHE A 64 -5.858 3.950 -0.102 1.00 0.00 C ATOM 922 CE1 PHE A 64 -3.361 5.114 -0.244 1.00 0.00 C ATOM 923 CE2 PHE A 64 -4.883 3.606 0.815 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.632 4.187 0.743 1.00 0.00 C ATOM 0 H PHE A 64 -6.276 7.958 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.333 6.575 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.322 4.399 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.189 5.463 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.122 6.180 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.833 3.490 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.385 5.572 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.099 2.883 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.868 3.917 1.457 1.00 0.00 H new ATOM 934 N PRO A 65 -9.292 5.762 -0.184 1.00 0.00 N ATOM 935 CA PRO A 65 -9.961 5.503 1.095 1.00 0.00 C ATOM 936 C PRO A 65 -9.348 4.323 1.841 1.00 0.00 C ATOM 937 O PRO A 65 -9.145 3.253 1.269 1.00 0.00 O ATOM 938 CB PRO A 65 -11.401 5.186 0.683 1.00 0.00 C ATOM 939 CG PRO A 65 -11.293 4.681 -0.715 1.00 0.00 C ATOM 940 CD PRO A 65 -10.145 5.427 -1.336 1.00 0.00 C ATOM 0 HA PRO A 65 -9.875 6.347 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.845 4.439 1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.032 6.073 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.113 3.606 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.217 4.857 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.614 4.814 -2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.483 6.322 -1.859 1.00 0.00 H new ATOM 948 N ALA A 66 -9.055 4.526 3.121 1.00 0.00 N ATOM 949 CA ALA A 66 -8.468 3.478 3.946 1.00 0.00 C ATOM 950 C ALA A 66 -9.505 2.422 4.313 1.00 0.00 C ATOM 951 O ALA A 66 -9.184 1.416 4.945 1.00 0.00 O ATOM 952 CB ALA A 66 -7.854 4.077 5.203 1.00 0.00 C ATOM 0 H ALA A 66 -9.215 5.407 3.609 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.682 2.992 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.419 3.283 5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.076 4.788 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.626 4.590 5.776 1.00 0.00 H new ATOM 958 N ASN A 67 -10.750 2.659 3.914 1.00 0.00 N ATOM 959 CA ASN A 67 -11.835 1.728 4.203 1.00 0.00 C ATOM 960 C ASN A 67 -11.866 0.595 3.182 1.00 0.00 C ATOM 961 O ASN A 67 -12.278 -0.524 3.493 1.00 0.00 O ATOM 962 CB ASN A 67 -13.178 2.462 4.207 1.00 0.00 C ATOM 963 CG ASN A 67 -13.080 3.843 4.828 1.00 0.00 C ATOM 964 OD1 ASN A 67 -12.538 4.007 5.921 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.605 4.843 4.130 1.00 0.00 N ATOM 0 H ASN A 67 -11.033 3.487 3.390 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.659 1.300 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.543 2.552 3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.911 1.871 4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.569 5.794 4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.045 4.660 3.228 1.00 0.00 H new ATOM 972 N TYR A 68 -11.428 0.891 1.964 1.00 0.00 N ATOM 973 CA TYR A 68 -11.407 -0.102 0.896 1.00 0.00 C ATOM 974 C TYR A 68 -10.118 -0.917 0.937 1.00 0.00 C ATOM 975 O TYR A 68 -9.829 -1.688 0.021 1.00 0.00 O ATOM 976 CB TYR A 68 -11.550 0.580 -0.465 1.00 0.00 C ATOM 977 CG TYR A 68 -12.986 0.819 -0.875 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.695 1.910 -0.388 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.633 -0.047 -1.748 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.007 2.132 -0.759 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.945 0.168 -2.125 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.628 1.258 -1.628 1.00 0.00 C ATOM 983 OH TYR A 68 -16.934 1.475 -2.000 1.00 0.00 O ATOM 0 H TYR A 68 -11.082 1.811 1.691 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.248 -0.779 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.024 1.535 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.062 -0.033 -1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.212 2.596 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.102 -0.902 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.544 2.985 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.433 -0.514 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.220 0.769 -2.617 1.00 0.00 H new ATOM 993 N VAL A 69 -9.347 -0.741 2.005 1.00 0.00 N ATOM 994 CA VAL A 69 -8.090 -1.461 2.167 1.00 0.00 C ATOM 995 C VAL A 69 -7.869 -1.860 3.622 1.00 0.00 C ATOM 996 O VAL A 69 -8.576 -1.398 4.516 1.00 0.00 O ATOM 997 CB VAL A 69 -6.894 -0.616 1.691 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.146 -0.074 0.292 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.618 0.516 2.669 1.00 0.00 C ATOM 0 H VAL A 69 -9.571 -0.106 2.771 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.158 -2.359 1.553 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.012 -1.255 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.290 0.521 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.289 -0.904 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.039 0.551 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.770 1.103 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.497 1.157 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.389 0.101 3.651 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.881 -2.720 3.851 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.567 -3.181 5.198 1.00 0.00 C ATOM 1011 C GLU A 70 -5.073 -3.055 5.482 1.00 0.00 C ATOM 1012 O GLU A 70 -4.239 -3.456 4.670 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.011 -4.634 5.380 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.845 -5.148 6.801 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.626 -6.423 7.055 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -8.576 -6.699 6.294 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.284 -7.145 8.015 1.00 0.00 O ATOM 0 H GLU A 70 -6.285 -3.111 3.121 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.108 -2.552 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.058 -4.724 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.437 -5.268 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.788 -5.329 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.172 -4.380 7.502 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.743 -2.494 6.640 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.350 -2.313 7.033 1.00 0.00 C ATOM 1026 C LEU A 71 -2.732 -3.637 7.474 1.00 0.00 C ATOM 1027 O LEU A 71 -3.275 -4.330 8.335 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.247 -1.288 8.163 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.585 0.157 7.791 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.761 1.002 9.043 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.504 0.744 6.896 1.00 0.00 C ATOM 0 H LEU A 71 -5.421 -2.157 7.323 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.799 -1.946 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.910 -1.599 8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.231 -1.313 8.558 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.525 0.160 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.001 2.027 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.571 0.593 9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.837 0.992 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.761 1.772 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.549 0.728 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.426 0.153 5.984 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.594 -3.980 6.880 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.902 -5.219 7.213 1.00 0.00 C ATOM 1045 C ARG A 72 0.175 -4.975 8.265 1.00 0.00 C ATOM 1046 O ARG A 72 0.940 -4.016 8.172 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.275 -5.831 5.958 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.278 -6.108 4.850 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.828 -7.264 3.969 1.00 0.00 C ATOM 1050 NE ARG A 72 -0.773 -8.524 4.705 1.00 0.00 N ATOM 1051 CZ ARG A 72 -0.490 -9.692 4.140 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -0.237 -9.761 2.841 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -0.458 -10.796 4.877 1.00 0.00 N ATOM 0 H ARG A 72 -1.132 -3.417 6.166 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.634 -5.915 7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.494 -5.157 5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.222 -6.763 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.250 -6.338 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.406 -5.213 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.513 -7.366 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.156 -7.043 3.555 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.962 -8.506 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.259 -8.915 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.020 -10.660 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.651 -10.747 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.241 -11.693 4.443 1.00 0.00 H new ATOM 1067 N GLN A 73 0.228 -5.849 9.265 1.00 0.00 N ATOM 1068 CA GLN A 73 1.210 -5.727 10.335 1.00 0.00 C ATOM 1069 C GLN A 73 2.615 -6.026 9.822 1.00 0.00 C ATOM 1070 O GLN A 73 2.786 -6.525 8.709 1.00 0.00 O ATOM 1071 CB GLN A 73 0.863 -6.674 11.486 1.00 0.00 C ATOM 1072 CG GLN A 73 1.629 -6.382 12.766 1.00 0.00 C ATOM 1073 CD GLN A 73 1.060 -7.112 13.966 1.00 0.00 C ATOM 1074 OE1 GLN A 73 0.286 -8.059 13.821 1.00 0.00 O ATOM 1075 NE2 GLN A 73 1.440 -6.675 15.161 1.00 0.00 N ATOM 0 H GLN A 73 -0.398 -6.649 9.356 1.00 0.00 H new ATOM 0 HA GLN A 73 1.186 -4.700 10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.206 -6.609 11.689 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.067 -7.699 11.176 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.673 -6.667 12.633 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.614 -5.309 12.957 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.083 -5.887 15.235 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.089 -7.128 16.005 1.00 0.00 H new ATOM 1084 N SER A 74 3.617 -5.717 10.638 1.00 0.00 N ATOM 1085 CA SER A 74 5.007 -5.949 10.265 1.00 0.00 C ATOM 1086 C SER A 74 5.636 -7.019 11.151 1.00 0.00 C ATOM 1087 O SER A 74 6.131 -8.034 10.662 1.00 0.00 O ATOM 1088 CB SER A 74 5.808 -4.650 10.367 1.00 0.00 C ATOM 1089 OG SER A 74 7.193 -4.888 10.180 1.00 0.00 O ATOM 0 H SER A 74 3.492 -5.305 11.563 1.00 0.00 H new ATOM 0 HA SER A 74 5.027 -6.299 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.454 -3.941 9.619 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.643 -4.193 11.343 1.00 0.00 H new ATOM 0 HG SER A 74 7.683 -4.042 10.248 1.00 0.00 H new ATOM 1095 N GLY A 75 5.614 -6.784 12.460 1.00 0.00 N ATOM 1096 CA GLY A 75 6.185 -7.736 13.395 1.00 0.00 C ATOM 1097 C GLY A 75 7.691 -7.844 13.264 1.00 0.00 C ATOM 1098 O GLY A 75 8.231 -8.892 12.908 1.00 0.00 O ATOM 0 H GLY A 75 5.211 -5.951 12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.932 -7.438 14.412 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.738 -8.716 13.230 1.00 0.00 H new ATOM 1102 N PRO A 76 8.395 -6.740 13.555 1.00 0.00 N ATOM 1103 CA PRO A 76 9.858 -6.690 13.474 1.00 0.00 C ATOM 1104 C PRO A 76 10.528 -7.522 14.562 1.00 0.00 C ATOM 1105 O PRO A 76 11.735 -7.759 14.521 1.00 0.00 O ATOM 1106 CB PRO A 76 10.174 -5.204 13.667 1.00 0.00 C ATOM 1107 CG PRO A 76 9.017 -4.668 14.438 1.00 0.00 C ATOM 1108 CD PRO A 76 7.818 -5.456 13.986 1.00 0.00 C ATOM 0 HA PRO A 76 10.228 -7.100 12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.109 -5.065 14.209 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.282 -4.695 12.709 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.177 -4.781 15.510 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.880 -3.604 14.246 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.098 -5.590 14.793 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.294 -4.957 13.171 1.00 0.00 H new ATOM 1116 N SER A 77 9.736 -7.964 15.534 1.00 0.00 N ATOM 1117 CA SER A 77 10.254 -8.767 16.636 1.00 0.00 C ATOM 1118 C SER A 77 10.110 -10.257 16.336 1.00 0.00 C ATOM 1119 O SER A 77 9.114 -10.881 16.701 1.00 0.00 O ATOM 1120 CB SER A 77 9.521 -8.424 17.934 1.00 0.00 C ATOM 1121 OG SER A 77 9.807 -7.098 18.345 1.00 0.00 O ATOM 0 H SER A 77 8.734 -7.780 15.581 1.00 0.00 H new ATOM 0 HA SER A 77 11.313 -8.538 16.754 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.447 -8.540 17.790 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.815 -9.123 18.717 1.00 0.00 H new ATOM 0 HG SER A 77 9.326 -6.902 19.176 1.00 0.00 H new ATOM 1127 N SER A 78 11.112 -10.819 15.668 1.00 0.00 N ATOM 1128 CA SER A 78 11.097 -12.234 15.315 1.00 0.00 C ATOM 1129 C SER A 78 12.060 -13.023 16.195 1.00 0.00 C ATOM 1130 O SER A 78 13.264 -12.769 16.202 1.00 0.00 O ATOM 1131 CB SER A 78 11.467 -12.417 13.842 1.00 0.00 C ATOM 1132 OG SER A 78 12.856 -12.229 13.637 1.00 0.00 O ATOM 0 H SER A 78 11.944 -10.316 15.360 1.00 0.00 H new ATOM 0 HA SER A 78 10.089 -12.614 15.479 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.180 -13.416 13.513 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.907 -11.708 13.233 1.00 0.00 H new ATOM 0 HG SER A 78 13.306 -12.148 14.504 1.00 0.00 H new ATOM 1138 N GLY A 79 11.520 -13.985 16.939 1.00 0.00 N ATOM 1139 CA GLY A 79 12.345 -14.798 17.813 1.00 0.00 C ATOM 1140 C GLY A 79 12.321 -14.312 19.249 1.00 0.00 C ATOM 1141 O GLY A 79 11.484 -14.742 20.042 1.00 0.00 O ATOM 0 H GLY A 79 10.526 -14.215 16.951 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.000 -15.831 17.776 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.372 -14.792 17.448 1.00 0.00 H new TER 1145 GLY A 79