USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 70 GLN : amide:sc= -1.49 K(o=-2.1,f=-8.2!) USER MOD Set 1.2: A 73 TYR OH : rot 165:sc= -0.647 USER MOD Set 2.1: A 63 LYS NZ :NH3+ -110:sc= 1.21 (180deg=-2.17!) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.537 K(o=1.7,f=-15!) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -140:sc= 1.48 (180deg=1.22) USER MOD Set 3.2: A 60 GLN : amide:sc= 0.219 K(o=1.7,f=-5.7!) USER MOD Set 4.1: A 37 CYS SG : rot -33:sc= -1.92! USER MOD Set 4.2: A 40 CYS SG : rot -159:sc= -1.61! USER MOD Set 5.1: A 36 HIS : no HE2:sc= -4.99! C(o=-5!,f=-7.1!) USER MOD Set 5.2: A 38 GLN : amide:sc= 0 K(o=-5,f=-7.1) USER MOD Set 6.1: A 24 GLN : amide:sc= 0.779 K(o=2.8,f=-8.2!) USER MOD Set 6.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 6.3: A 56 LYS NZ :NH3+ 166:sc= 2.02 (180deg=1.19) USER MOD Set 7.1: A 18 SER OG : rot 66:sc= 0.344 USER MOD Set 7.2: A 57 LYS NZ :NH3+ 154:sc= 0.671 (180deg=-0.0352) USER MOD Set 8.1: A 15 GLN : amide:sc= 0.425 K(o=0.99,f=-3.3!) USER MOD Set 8.2: A 17 SER OG : rot -139:sc= 0.569 USER MOD Single : A 1 LEU N :NH3+ -156:sc= 0.903 (180deg=0.53) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.601 K(o=0.6,f=-0.24) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= 0.218 (180deg=-0.953!) USER MOD Single : A 25 ASN : amide:sc= 0.99 K(o=0.99,f=-5.3!) USER MOD Single : A 26 THR OG1 : rot 128:sc= 0.725 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.667 K(o=-0.67,f=-5.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 160:sc= 0.244 USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00753 USER MOD Single : A 58 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 67 GLN : amide:sc= 0.313 K(o=0.31,f=-3.7!) USER MOD Single : A 72 GLN : amide:sc= 0.609 K(o=0.61,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 37.882 -27.213 10.273 1.00 0.00 N ATOM 2 CA LEU A 1 38.364 -25.940 10.906 1.00 0.00 C ATOM 3 C LEU A 1 39.322 -25.231 9.931 1.00 0.00 C ATOM 4 O LEU A 1 40.429 -25.692 9.695 1.00 0.00 O ATOM 5 CB LEU A 1 39.085 -26.254 12.236 1.00 0.00 C ATOM 6 CG LEU A 1 39.022 -25.036 13.170 1.00 0.00 C ATOM 7 CD1 LEU A 1 37.648 -24.963 13.842 1.00 0.00 C ATOM 8 CD2 LEU A 1 40.096 -25.170 14.249 1.00 0.00 C ATOM 0 H1 LEU A 1 36.972 -27.487 10.695 1.00 0.00 H new ATOM 0 H2 LEU A 1 37.760 -27.068 9.250 1.00 0.00 H new ATOM 0 H3 LEU A 1 38.580 -27.967 10.435 1.00 0.00 H new ATOM 0 HA LEU A 1 37.517 -25.288 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 1 38.620 -27.115 12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 1 40.124 -26.520 12.042 1.00 0.00 H new ATOM 0 HG LEU A 1 39.189 -24.131 12.586 1.00 0.00 H new ATOM 0 HD11 LEU A 1 37.612 -24.097 14.503 1.00 0.00 H new ATOM 0 HD12 LEU A 1 36.875 -24.871 13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 1 37.478 -25.870 14.423 1.00 0.00 H new ATOM 0 HD21 LEU A 1 40.054 -24.307 14.913 1.00 0.00 H new ATOM 0 HD22 LEU A 1 39.923 -26.080 14.824 1.00 0.00 H new ATOM 0 HD23 LEU A 1 41.079 -25.219 13.780 1.00 0.00 H new ATOM 22 N GLU A 2 38.880 -24.141 9.335 1.00 0.00 N ATOM 23 CA GLU A 2 39.733 -23.414 8.336 1.00 0.00 C ATOM 24 C GLU A 2 40.354 -22.172 9.000 1.00 0.00 C ATOM 25 O GLU A 2 39.707 -21.147 9.151 1.00 0.00 O ATOM 26 CB GLU A 2 38.894 -23.007 7.091 1.00 0.00 C ATOM 27 CG GLU A 2 37.812 -24.069 6.718 1.00 0.00 C ATOM 28 CD GLU A 2 38.330 -25.517 6.829 1.00 0.00 C ATOM 29 OE1 GLU A 2 39.331 -25.826 6.208 1.00 0.00 O ATOM 30 OE2 GLU A 2 37.711 -26.289 7.545 1.00 0.00 O ATOM 0 H GLU A 2 37.963 -23.725 9.500 1.00 0.00 H new ATOM 0 HA GLU A 2 40.531 -24.076 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 2 38.407 -22.051 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.561 -22.860 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 2 36.949 -23.946 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 2 37.469 -23.888 5.699 1.00 0.00 H new ATOM 37 N ASP A 3 41.609 -22.271 9.395 1.00 0.00 N ATOM 38 CA ASP A 3 42.311 -21.126 10.056 1.00 0.00 C ATOM 39 C ASP A 3 43.648 -20.860 9.326 1.00 0.00 C ATOM 40 O ASP A 3 44.731 -20.959 9.889 1.00 0.00 O ATOM 41 CB ASP A 3 42.534 -21.463 11.543 1.00 0.00 C ATOM 42 CG ASP A 3 42.533 -20.174 12.361 1.00 0.00 C ATOM 43 OD1 ASP A 3 41.466 -19.764 12.780 1.00 0.00 O ATOM 44 OD2 ASP A 3 43.597 -19.605 12.542 1.00 0.00 O ATOM 0 H ASP A 3 42.179 -23.110 9.283 1.00 0.00 H new ATOM 0 HA ASP A 3 41.708 -20.220 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 3 41.750 -22.132 11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 3 43.481 -21.987 11.670 1.00 0.00 H new ATOM 49 N ARG A 4 43.568 -20.526 8.054 1.00 0.00 N ATOM 50 CA ARG A 4 44.804 -20.243 7.238 1.00 0.00 C ATOM 51 C ARG A 4 45.276 -18.782 7.495 1.00 0.00 C ATOM 52 O ARG A 4 45.303 -17.950 6.601 1.00 0.00 O ATOM 53 CB ARG A 4 44.478 -20.470 5.749 1.00 0.00 C ATOM 54 CG ARG A 4 44.225 -21.963 5.491 1.00 0.00 C ATOM 55 CD ARG A 4 43.099 -22.115 4.472 1.00 0.00 C ATOM 56 NE ARG A 4 42.840 -23.572 4.233 1.00 0.00 N ATOM 57 CZ ARG A 4 41.838 -24.172 4.806 1.00 0.00 C ATOM 58 NH1 ARG A 4 40.665 -24.138 4.257 1.00 0.00 N ATOM 59 NH2 ARG A 4 42.016 -24.806 5.922 1.00 0.00 N ATOM 0 H ARG A 4 42.691 -20.436 7.540 1.00 0.00 H new ATOM 0 HA ARG A 4 45.613 -20.914 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 4 43.600 -19.889 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 4 45.304 -20.120 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 4 45.133 -22.439 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 4 43.959 -22.465 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 4 42.195 -21.628 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 4 43.370 -21.624 3.537 1.00 0.00 H new ATOM 0 HE ARG A 4 43.456 -24.099 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 4 40.528 -23.641 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 4 39.878 -24.608 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 4 42.941 -24.834 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 4 41.231 -25.277 6.372 1.00 0.00 H new ATOM 73 N ARG A 5 45.633 -18.481 8.732 1.00 0.00 N ATOM 74 CA ARG A 5 46.093 -17.100 9.123 1.00 0.00 C ATOM 75 C ARG A 5 47.596 -17.092 9.535 1.00 0.00 C ATOM 76 O ARG A 5 48.055 -16.144 10.148 1.00 0.00 O ATOM 77 CB ARG A 5 45.250 -16.661 10.326 1.00 0.00 C ATOM 78 CG ARG A 5 43.753 -16.671 9.968 1.00 0.00 C ATOM 79 CD ARG A 5 42.949 -15.978 11.073 1.00 0.00 C ATOM 80 NE ARG A 5 42.992 -16.810 12.322 1.00 0.00 N ATOM 81 CZ ARG A 5 42.375 -16.432 13.396 1.00 0.00 C ATOM 82 NH1 ARG A 5 42.735 -15.342 14.005 1.00 0.00 N ATOM 83 NH2 ARG A 5 41.417 -17.163 13.870 1.00 0.00 N ATOM 0 H ARG A 5 45.624 -19.151 9.501 1.00 0.00 H new ATOM 0 HA ARG A 5 45.975 -16.428 8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 5 45.433 -17.328 11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 5 45.548 -15.661 10.641 1.00 0.00 H new ATOM 0 HG2 ARG A 5 43.594 -16.163 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 5 43.407 -17.697 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 5 43.359 -14.987 11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 5 41.917 -15.838 10.752 1.00 0.00 H new ATOM 0 HE ARG A 5 43.515 -17.686 12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 5 43.505 -14.783 13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 5 42.248 -15.046 14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 5 41.154 -18.028 13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 5 40.925 -16.874 14.715 1.00 0.00 H new ATOM 97 N ILE A 6 48.336 -18.156 9.231 1.00 0.00 N ATOM 98 CA ILE A 6 49.794 -18.283 9.605 1.00 0.00 C ATOM 99 C ILE A 6 50.580 -16.970 9.305 1.00 0.00 C ATOM 100 O ILE A 6 50.770 -16.604 8.163 1.00 0.00 O ATOM 101 CB ILE A 6 50.474 -19.468 8.875 1.00 0.00 C ATOM 102 CG1 ILE A 6 49.623 -20.751 8.982 1.00 0.00 C ATOM 103 CG2 ILE A 6 51.829 -19.734 9.541 1.00 0.00 C ATOM 104 CD1 ILE A 6 49.042 -21.110 7.611 1.00 0.00 C ATOM 0 H ILE A 6 47.972 -18.962 8.724 1.00 0.00 H new ATOM 0 HA ILE A 6 49.820 -18.473 10.678 1.00 0.00 H new ATOM 0 HB ILE A 6 50.589 -19.209 7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 50.235 -21.573 9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 6 48.817 -20.604 9.701 1.00 0.00 H new ATOM 0 HG21 ILE A 6 52.324 -20.566 9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 6 52.452 -18.843 9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 6 51.676 -19.982 10.591 1.00 0.00 H new ATOM 0 HD11 ILE A 6 48.443 -22.017 7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 6 48.415 -20.292 7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 6 49.855 -21.277 6.904 1.00 0.00 H new ATOM 116 N PRO A 7 51.007 -16.315 10.366 1.00 0.00 N ATOM 117 CA PRO A 7 51.760 -15.061 10.300 1.00 0.00 C ATOM 118 C PRO A 7 53.210 -15.279 9.817 1.00 0.00 C ATOM 119 O PRO A 7 53.851 -16.266 10.152 1.00 0.00 O ATOM 120 CB PRO A 7 51.678 -14.491 11.709 1.00 0.00 C ATOM 121 CG PRO A 7 51.346 -15.674 12.617 1.00 0.00 C ATOM 122 CD PRO A 7 50.772 -16.781 11.718 1.00 0.00 C ATOM 0 HA PRO A 7 51.347 -14.367 9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 7 52.621 -14.028 11.999 1.00 0.00 H new ATOM 0 HB3 PRO A 7 50.911 -13.720 11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 7 52.238 -16.023 13.138 1.00 0.00 H new ATOM 0 HG3 PRO A 7 50.624 -15.384 13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 7 51.267 -17.735 11.900 1.00 0.00 H new ATOM 0 HD3 PRO A 7 49.709 -16.932 11.906 1.00 0.00 H new ATOM 130 N GLY A 8 53.708 -14.366 9.008 1.00 0.00 N ATOM 131 CA GLY A 8 55.098 -14.477 8.441 1.00 0.00 C ATOM 132 C GLY A 8 55.147 -15.462 7.244 1.00 0.00 C ATOM 133 O GLY A 8 56.221 -15.893 6.870 1.00 0.00 O ATOM 0 H GLY A 8 53.200 -13.533 8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 8 55.440 -13.494 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 8 55.783 -14.814 9.219 1.00 0.00 H new ATOM 137 N THR A 9 54.007 -15.824 6.649 1.00 0.00 N ATOM 138 CA THR A 9 53.995 -16.784 5.486 1.00 0.00 C ATOM 139 C THR A 9 52.596 -16.893 4.824 1.00 0.00 C ATOM 140 O THR A 9 52.508 -16.876 3.629 1.00 0.00 O ATOM 141 CB THR A 9 54.485 -18.163 5.930 1.00 0.00 C ATOM 142 OG1 THR A 9 54.324 -19.110 4.880 1.00 0.00 O ATOM 143 CG2 THR A 9 53.693 -18.591 7.135 1.00 0.00 C ATOM 0 H THR A 9 53.086 -15.488 6.929 1.00 0.00 H new ATOM 0 HA THR A 9 54.675 -16.386 4.733 1.00 0.00 H new ATOM 0 HB THR A 9 55.544 -18.110 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.643 -19.987 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 9 54.032 -19.574 7.463 1.00 0.00 H new ATOM 0 HG22 THR A 9 53.837 -17.870 7.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 52.635 -18.640 6.877 1.00 0.00 H new ATOM 151 N ALA A 10 51.507 -17.004 5.567 1.00 0.00 N ATOM 152 CA ALA A 10 50.137 -17.114 4.918 1.00 0.00 C ATOM 153 C ALA A 10 49.735 -15.758 4.309 1.00 0.00 C ATOM 154 O ALA A 10 49.403 -15.684 3.139 1.00 0.00 O ATOM 155 CB ALA A 10 49.121 -17.563 5.959 1.00 0.00 C ATOM 0 H ALA A 10 51.503 -17.023 6.587 1.00 0.00 H new ATOM 0 HA ALA A 10 50.167 -17.852 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 10 48.137 -17.643 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 10 49.414 -18.534 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 49.083 -16.834 6.769 1.00 0.00 H new ATOM 161 N GLU A 11 49.832 -14.681 5.062 1.00 0.00 N ATOM 162 CA GLU A 11 49.548 -13.317 4.476 1.00 0.00 C ATOM 163 C GLU A 11 50.640 -13.041 3.392 1.00 0.00 C ATOM 164 O GLU A 11 50.370 -12.440 2.367 1.00 0.00 O ATOM 165 CB GLU A 11 49.530 -12.231 5.590 1.00 0.00 C ATOM 166 CG GLU A 11 50.951 -11.805 6.025 1.00 0.00 C ATOM 167 CD GLU A 11 51.523 -12.793 7.039 1.00 0.00 C ATOM 168 OE1 GLU A 11 52.042 -13.808 6.618 1.00 0.00 O ATOM 169 OE2 GLU A 11 51.444 -12.515 8.219 1.00 0.00 O ATOM 0 H GLU A 11 50.093 -14.683 6.048 1.00 0.00 H new ATOM 0 HA GLU A 11 48.562 -13.286 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 11 48.986 -11.357 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 11 48.988 -12.612 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 51.603 -11.752 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 11 50.919 -10.806 6.461 1.00 0.00 H new ATOM 176 N GLU A 12 51.853 -13.560 3.609 1.00 0.00 N ATOM 177 CA GLU A 12 52.981 -13.446 2.622 1.00 0.00 C ATOM 178 C GLU A 12 52.586 -14.231 1.334 1.00 0.00 C ATOM 179 O GLU A 12 52.827 -13.786 0.225 1.00 0.00 O ATOM 180 CB GLU A 12 54.253 -14.043 3.313 1.00 0.00 C ATOM 181 CG GLU A 12 54.878 -15.216 2.521 1.00 0.00 C ATOM 182 CD GLU A 12 56.332 -15.453 2.938 1.00 0.00 C ATOM 183 OE1 GLU A 12 57.153 -14.587 2.680 1.00 0.00 O ATOM 184 OE2 GLU A 12 56.604 -16.510 3.468 1.00 0.00 O ATOM 0 H GLU A 12 52.100 -14.069 4.458 1.00 0.00 H new ATOM 0 HA GLU A 12 53.186 -12.416 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 12 54.997 -13.256 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 12 53.989 -14.387 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 12 54.296 -16.122 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 12 54.833 -15.002 1.453 1.00 0.00 H new ATOM 191 N ASN A 13 51.987 -15.400 1.523 1.00 0.00 N ATOM 192 CA ASN A 13 51.530 -16.316 0.411 1.00 0.00 C ATOM 193 C ASN A 13 50.673 -15.585 -0.632 1.00 0.00 C ATOM 194 O ASN A 13 50.712 -15.916 -1.805 1.00 0.00 O ATOM 195 CB ASN A 13 50.704 -17.450 1.049 1.00 0.00 C ATOM 196 CG ASN A 13 51.502 -18.737 1.148 1.00 0.00 C ATOM 197 OD1 ASN A 13 51.077 -19.770 0.687 1.00 0.00 O ATOM 198 ND2 ASN A 13 52.645 -18.720 1.738 1.00 0.00 N ATOM 0 H ASN A 13 51.789 -15.770 2.453 1.00 0.00 H new ATOM 0 HA ASN A 13 52.407 -16.700 -0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 13 50.377 -17.147 2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 13 49.805 -17.623 0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 13 53.191 -19.578 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 13 53.005 -17.849 2.128 1.00 0.00 H new ATOM 205 N LEU A 14 49.920 -14.603 -0.201 1.00 0.00 N ATOM 206 CA LEU A 14 49.050 -13.803 -1.131 1.00 0.00 C ATOM 207 C LEU A 14 49.940 -13.052 -2.143 1.00 0.00 C ATOM 208 O LEU A 14 50.447 -11.979 -1.857 1.00 0.00 O ATOM 209 CB LEU A 14 48.202 -12.822 -0.323 1.00 0.00 C ATOM 210 CG LEU A 14 46.842 -13.469 -0.077 1.00 0.00 C ATOM 211 CD1 LEU A 14 46.733 -13.891 1.379 1.00 0.00 C ATOM 212 CD2 LEU A 14 45.743 -12.477 -0.418 1.00 0.00 C ATOM 0 H LEU A 14 49.868 -14.313 0.776 1.00 0.00 H new ATOM 0 HA LEU A 14 48.381 -14.468 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 14 48.689 -12.586 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 14 48.085 -11.883 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 14 46.736 -14.351 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 14 45.761 -14.353 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 47.521 -14.607 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 46.838 -13.016 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 14 44.770 -12.937 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 45.844 -11.592 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 14 45.825 -12.189 -1.466 1.00 0.00 H new ATOM 224 N GLN A 15 50.168 -13.659 -3.307 1.00 0.00 N ATOM 225 CA GLN A 15 51.056 -13.078 -4.393 1.00 0.00 C ATOM 226 C GLN A 15 52.565 -13.340 -4.110 1.00 0.00 C ATOM 227 O GLN A 15 53.330 -13.478 -5.049 1.00 0.00 O ATOM 228 CB GLN A 15 50.810 -11.562 -4.564 1.00 0.00 C ATOM 229 CG GLN A 15 51.290 -11.100 -5.951 1.00 0.00 C ATOM 230 CD GLN A 15 51.201 -9.573 -6.049 1.00 0.00 C ATOM 231 OE1 GLN A 15 52.088 -8.875 -5.616 1.00 0.00 O ATOM 232 NE2 GLN A 15 50.165 -9.017 -6.602 1.00 0.00 N ATOM 0 H GLN A 15 49.761 -14.561 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 15 50.791 -13.585 -5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 15 49.749 -11.343 -4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 15 51.338 -11.010 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 15 52.317 -11.425 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 15 50.680 -11.560 -6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 15 49.411 -9.597 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 15 50.106 -8.001 -6.668 1.00 0.00 H new ATOM 241 N LYS A 16 52.999 -13.405 -2.841 1.00 0.00 N ATOM 242 CA LYS A 16 54.453 -13.642 -2.490 1.00 0.00 C ATOM 243 C LYS A 16 55.409 -12.733 -3.325 1.00 0.00 C ATOM 244 O LYS A 16 56.448 -13.169 -3.799 1.00 0.00 O ATOM 245 CB LYS A 16 54.792 -15.142 -2.666 1.00 0.00 C ATOM 246 CG LYS A 16 54.881 -15.815 -1.279 1.00 0.00 C ATOM 247 CD LYS A 16 56.348 -15.947 -0.798 1.00 0.00 C ATOM 248 CE LYS A 16 57.115 -14.609 -0.888 1.00 0.00 C ATOM 249 NZ LYS A 16 56.606 -13.630 0.126 1.00 0.00 N ATOM 0 H LYS A 16 52.388 -13.301 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 16 54.606 -13.369 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 16 54.028 -15.630 -3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 16 55.737 -15.252 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 54.312 -15.232 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 16 54.423 -16.803 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.360 -16.302 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 16 56.860 -16.698 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 16 58.179 -14.784 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 16 57.008 -14.191 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 56.888 -12.667 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 55.569 -13.687 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 57.008 -13.856 1.058 1.00 0.00 H new ATOM 263 N SER A 17 55.065 -11.465 -3.480 1.00 0.00 N ATOM 264 CA SER A 17 55.934 -10.508 -4.257 1.00 0.00 C ATOM 265 C SER A 17 56.963 -9.828 -3.319 1.00 0.00 C ATOM 266 O SER A 17 57.021 -10.118 -2.130 1.00 0.00 O ATOM 267 CB SER A 17 55.039 -9.447 -4.916 1.00 0.00 C ATOM 268 OG SER A 17 54.355 -8.702 -3.910 1.00 0.00 O ATOM 0 H SER A 17 54.214 -11.052 -3.098 1.00 0.00 H new ATOM 0 HA SER A 17 56.482 -11.056 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 17 55.643 -8.778 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 17 54.319 -9.926 -5.580 1.00 0.00 H new ATOM 0 HG SER A 17 53.428 -8.551 -4.188 1.00 0.00 H new ATOM 274 N SER A 18 57.778 -8.926 -3.846 1.00 0.00 N ATOM 275 CA SER A 18 58.804 -8.218 -3.002 1.00 0.00 C ATOM 276 C SER A 18 58.303 -6.798 -2.616 1.00 0.00 C ATOM 277 O SER A 18 59.057 -5.835 -2.659 1.00 0.00 O ATOM 278 CB SER A 18 60.130 -8.134 -3.787 1.00 0.00 C ATOM 279 OG SER A 18 59.926 -7.494 -5.052 1.00 0.00 O ATOM 0 H SER A 18 57.773 -8.652 -4.829 1.00 0.00 H new ATOM 0 HA SER A 18 58.966 -8.777 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.868 -7.579 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.532 -9.135 -3.940 1.00 0.00 H new ATOM 0 HG SER A 18 59.681 -6.556 -4.908 1.00 0.00 H new ATOM 285 N GLY A 19 57.039 -6.667 -2.237 1.00 0.00 N ATOM 286 CA GLY A 19 56.474 -5.324 -1.847 1.00 0.00 C ATOM 287 C GLY A 19 56.108 -4.510 -3.103 1.00 0.00 C ATOM 288 O GLY A 19 55.613 -5.052 -4.077 1.00 0.00 O ATOM 0 H GLY A 19 56.375 -7.439 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.590 -5.461 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 19 57.202 -4.775 -1.250 1.00 0.00 H new ATOM 292 N GLY A 20 56.348 -3.210 -3.078 1.00 0.00 N ATOM 293 CA GLY A 20 56.019 -2.339 -4.264 1.00 0.00 C ATOM 294 C GLY A 20 56.000 -0.859 -3.853 1.00 0.00 C ATOM 295 O GLY A 20 57.039 -0.231 -3.754 1.00 0.00 O ATOM 0 H GLY A 20 56.758 -2.716 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 20 56.755 -2.494 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 20 55.049 -2.622 -4.673 1.00 0.00 H new ATOM 299 N VAL A 21 54.825 -0.304 -3.619 1.00 0.00 N ATOM 300 CA VAL A 21 54.714 1.143 -3.216 1.00 0.00 C ATOM 301 C VAL A 21 54.328 1.264 -1.716 1.00 0.00 C ATOM 302 O VAL A 21 53.358 0.662 -1.286 1.00 0.00 O ATOM 303 CB VAL A 21 53.679 1.874 -4.100 1.00 0.00 C ATOM 304 CG1 VAL A 21 54.246 2.050 -5.510 1.00 0.00 C ATOM 305 CG2 VAL A 21 52.369 1.086 -4.193 1.00 0.00 C ATOM 0 H VAL A 21 53.934 -0.795 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 21 55.686 1.614 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 21 53.473 2.843 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 53.516 2.566 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 21 55.163 2.638 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 21 54.464 1.072 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 21 51.662 1.628 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 21 52.564 0.106 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 21 51.947 0.963 -3.196 1.00 0.00 H new ATOM 315 N PRO A 22 55.104 2.038 -0.953 1.00 0.00 N ATOM 316 CA PRO A 22 54.851 2.242 0.504 1.00 0.00 C ATOM 317 C PRO A 22 53.699 3.229 0.789 1.00 0.00 C ATOM 318 O PRO A 22 53.002 3.103 1.777 1.00 0.00 O ATOM 319 CB PRO A 22 56.184 2.791 1.025 1.00 0.00 C ATOM 320 CG PRO A 22 56.914 3.405 -0.193 1.00 0.00 C ATOM 321 CD PRO A 22 56.298 2.769 -1.452 1.00 0.00 C ATOM 0 HA PRO A 22 54.537 1.318 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 22 56.019 3.542 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 22 56.781 1.998 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 22 56.794 4.488 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 22 57.984 3.204 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 22 56.022 3.527 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 22 57.001 2.094 -1.941 1.00 0.00 H new ATOM 329 N GLY A 23 53.523 4.205 -0.063 1.00 0.00 N ATOM 330 CA GLY A 23 52.437 5.238 0.123 1.00 0.00 C ATOM 331 C GLY A 23 52.834 6.241 1.225 1.00 0.00 C ATOM 332 O GLY A 23 52.039 6.559 2.087 1.00 0.00 O ATOM 0 H GLY A 23 54.092 4.340 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 23 52.265 5.767 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 23 51.501 4.747 0.389 1.00 0.00 H new ATOM 336 N GLN A 24 54.058 6.741 1.189 1.00 0.00 N ATOM 337 CA GLN A 24 54.540 7.725 2.222 1.00 0.00 C ATOM 338 C GLN A 24 54.791 9.112 1.569 1.00 0.00 C ATOM 339 O GLN A 24 55.828 9.732 1.759 1.00 0.00 O ATOM 340 CB GLN A 24 55.820 7.173 2.891 1.00 0.00 C ATOM 341 CG GLN A 24 56.872 6.769 1.842 1.00 0.00 C ATOM 342 CD GLN A 24 58.165 6.365 2.547 1.00 0.00 C ATOM 343 OE1 GLN A 24 58.394 5.200 2.803 1.00 0.00 O ATOM 344 NE2 GLN A 24 59.022 7.279 2.883 1.00 0.00 N ATOM 0 H GLN A 24 54.749 6.504 0.478 1.00 0.00 H new ATOM 0 HA GLN A 24 53.778 7.859 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 24 56.239 7.928 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 24 55.567 6.310 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 24 56.500 5.941 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 24 57.060 7.600 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 24 58.833 8.258 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 24 59.885 7.018 3.361 1.00 0.00 H new ATOM 353 N ASN A 25 53.835 9.593 0.790 1.00 0.00 N ATOM 354 CA ASN A 25 53.987 10.931 0.102 1.00 0.00 C ATOM 355 C ASN A 25 52.694 11.767 0.152 1.00 0.00 C ATOM 356 O ASN A 25 52.742 12.953 0.421 1.00 0.00 O ATOM 357 CB ASN A 25 54.394 10.699 -1.361 1.00 0.00 C ATOM 358 CG ASN A 25 55.087 11.950 -1.905 1.00 0.00 C ATOM 359 OD1 ASN A 25 54.469 12.767 -2.550 1.00 0.00 O ATOM 360 ND2 ASN A 25 56.348 12.142 -1.665 1.00 0.00 N ATOM 0 H ASN A 25 52.954 9.115 0.601 1.00 0.00 H new ATOM 0 HA ASN A 25 54.756 11.493 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 25 55.062 9.841 -1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 25 53.514 10.468 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 25 56.813 12.978 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 25 56.874 11.457 -1.122 1.00 0.00 H new ATOM 367 N THR A 26 51.566 11.139 -0.128 1.00 0.00 N ATOM 368 CA THR A 26 50.163 11.767 -0.155 1.00 0.00 C ATOM 369 C THR A 26 49.999 12.767 -1.311 1.00 0.00 C ATOM 370 O THR A 26 49.030 12.741 -2.047 1.00 0.00 O ATOM 371 CB THR A 26 49.761 12.438 1.208 1.00 0.00 C ATOM 372 OG1 THR A 26 49.773 13.860 1.125 1.00 0.00 O ATOM 373 CG2 THR A 26 50.713 12.036 2.316 1.00 0.00 C ATOM 0 H THR A 26 51.549 10.145 -0.357 1.00 0.00 H new ATOM 0 HA THR A 26 49.479 10.935 -0.320 1.00 0.00 H new ATOM 0 HB THR A 26 48.751 12.092 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 26 48.917 14.214 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 26 50.411 12.515 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 26 50.690 10.953 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 26 51.725 12.350 2.058 1.00 0.00 H new ATOM 381 N GLY A 27 50.921 13.656 -1.402 1.00 0.00 N ATOM 382 CA GLY A 27 50.905 14.762 -2.415 1.00 0.00 C ATOM 383 C GLY A 27 51.143 16.091 -1.670 1.00 0.00 C ATOM 384 O GLY A 27 51.743 17.008 -2.207 1.00 0.00 O ATOM 0 H GLY A 27 51.736 13.676 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 51.678 14.602 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 27 49.950 14.785 -2.940 1.00 0.00 H new ATOM 388 N GLY A 28 50.692 16.180 -0.423 1.00 0.00 N ATOM 389 CA GLY A 28 50.888 17.411 0.411 1.00 0.00 C ATOM 390 C GLY A 28 49.797 17.502 1.486 1.00 0.00 C ATOM 391 O GLY A 28 48.939 16.643 1.562 1.00 0.00 O ATOM 0 H GLY A 28 50.188 15.431 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 28 51.871 17.388 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 28 50.859 18.297 -0.223 1.00 0.00 H new ATOM 395 N GLN A 29 49.858 18.526 2.336 1.00 0.00 N ATOM 396 CA GLN A 29 48.866 18.713 3.477 1.00 0.00 C ATOM 397 C GLN A 29 49.142 17.654 4.568 1.00 0.00 C ATOM 398 O GLN A 29 49.520 17.992 5.677 1.00 0.00 O ATOM 399 CB GLN A 29 47.399 18.609 3.000 1.00 0.00 C ATOM 400 CG GLN A 29 47.029 19.818 2.127 1.00 0.00 C ATOM 401 CD GLN A 29 45.505 19.973 2.066 1.00 0.00 C ATOM 402 OE1 GLN A 29 44.981 21.012 2.398 1.00 0.00 O ATOM 403 NE2 GLN A 29 44.764 18.985 1.655 1.00 0.00 N ATOM 0 H GLN A 29 50.569 19.255 2.285 1.00 0.00 H new ATOM 0 HA GLN A 29 49.003 19.717 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 29 47.259 17.688 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 29 46.733 18.558 3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 29 47.479 20.723 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 29 47.430 19.688 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 29 45.197 18.106 1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 29 43.750 19.090 1.615 1.00 0.00 H new ATOM 412 N GLU A 30 48.981 16.383 4.240 1.00 0.00 N ATOM 413 CA GLU A 30 49.253 15.270 5.210 1.00 0.00 C ATOM 414 C GLU A 30 50.779 15.102 5.373 1.00 0.00 C ATOM 415 O GLU A 30 51.275 14.989 6.482 1.00 0.00 O ATOM 416 CB GLU A 30 48.652 13.954 4.675 1.00 0.00 C ATOM 417 CG GLU A 30 47.118 14.071 4.533 1.00 0.00 C ATOM 418 CD GLU A 30 46.740 14.475 3.100 1.00 0.00 C ATOM 419 OE1 GLU A 30 46.965 13.686 2.198 1.00 0.00 O ATOM 420 OE2 GLU A 30 46.242 15.573 2.932 1.00 0.00 O ATOM 0 H GLU A 30 48.666 16.070 3.322 1.00 0.00 H new ATOM 0 HA GLU A 30 48.800 15.509 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 30 49.094 13.713 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 30 48.898 13.135 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 30 46.650 13.119 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 30 46.737 14.810 5.238 1.00 0.00 H new ATOM 427 N ALA A 31 51.522 15.084 4.270 1.00 0.00 N ATOM 428 CA ALA A 31 52.997 14.930 4.329 1.00 0.00 C ATOM 429 C ALA A 31 53.662 16.021 3.438 1.00 0.00 C ATOM 430 O ALA A 31 53.219 17.158 3.420 1.00 0.00 O ATOM 431 CB ALA A 31 53.323 13.505 3.851 1.00 0.00 C ATOM 0 H ALA A 31 51.144 15.172 3.327 1.00 0.00 H new ATOM 0 HA ALA A 31 53.385 15.064 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 31 54.402 13.350 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 31 52.835 12.782 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 31 52.964 13.372 2.830 1.00 0.00 H new ATOM 437 N ARG A 32 54.715 15.673 2.717 1.00 0.00 N ATOM 438 CA ARG A 32 55.463 16.636 1.816 1.00 0.00 C ATOM 439 C ARG A 32 55.846 17.954 2.572 1.00 0.00 C ATOM 440 O ARG A 32 55.459 19.037 2.156 1.00 0.00 O ATOM 441 CB ARG A 32 54.593 16.937 0.580 1.00 0.00 C ATOM 442 CG ARG A 32 54.607 15.737 -0.382 1.00 0.00 C ATOM 443 CD ARG A 32 55.374 16.104 -1.658 1.00 0.00 C ATOM 444 NE ARG A 32 54.395 16.436 -2.742 1.00 0.00 N ATOM 445 CZ ARG A 32 54.633 16.110 -3.972 1.00 0.00 C ATOM 446 NH1 ARG A 32 54.518 14.874 -4.346 1.00 0.00 N ATOM 447 NH2 ARG A 32 54.980 17.026 -4.822 1.00 0.00 N ATOM 0 H ARG A 32 55.101 14.729 2.715 1.00 0.00 H new ATOM 0 HA ARG A 32 56.399 16.175 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 32 53.570 17.153 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 54.966 17.826 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 32 55.074 14.878 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 32 53.586 15.447 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 32 56.030 16.954 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 32 56.009 15.274 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 32 53.531 16.925 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 32 54.240 14.161 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 32 54.705 14.615 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 32 55.064 17.997 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 32 55.169 16.776 -5.793 1.00 0.00 H new ATOM 461 N PRO A 33 56.603 17.830 3.672 1.00 0.00 N ATOM 462 CA PRO A 33 57.029 18.977 4.472 1.00 0.00 C ATOM 463 C PRO A 33 58.261 19.691 3.865 1.00 0.00 C ATOM 464 O PRO A 33 59.139 19.057 3.303 1.00 0.00 O ATOM 465 CB PRO A 33 57.376 18.364 5.824 1.00 0.00 C ATOM 466 CG PRO A 33 57.681 16.897 5.575 1.00 0.00 C ATOM 467 CD PRO A 33 57.088 16.559 4.217 1.00 0.00 C ATOM 0 HA PRO A 33 56.256 19.743 4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 33 58.235 18.868 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 33 56.546 18.473 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 33 58.756 16.717 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 33 57.246 16.272 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 33 57.836 16.112 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 33 56.276 15.838 4.312 1.00 0.00 H new ATOM 475 N ASN A 34 58.330 21.005 4.007 1.00 0.00 N ATOM 476 CA ASN A 34 59.501 21.806 3.486 1.00 0.00 C ATOM 477 C ASN A 34 59.337 23.281 3.914 1.00 0.00 C ATOM 478 O ASN A 34 58.707 24.070 3.229 1.00 0.00 O ATOM 479 CB ASN A 34 59.598 21.705 1.947 1.00 0.00 C ATOM 480 CG ASN A 34 60.969 22.193 1.463 1.00 0.00 C ATOM 481 OD1 ASN A 34 61.900 22.342 2.235 1.00 0.00 O ATOM 482 ND2 ASN A 34 61.139 22.449 0.206 1.00 0.00 N ATOM 0 H ASN A 34 57.613 21.564 4.469 1.00 0.00 H new ATOM 0 HA ASN A 34 60.421 21.401 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 34 59.441 20.673 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 34 58.810 22.301 1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 34 62.046 22.772 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 34 60.366 22.327 -0.448 1.00 0.00 H new ATOM 489 N TYR A 35 59.858 23.637 5.073 1.00 0.00 N ATOM 490 CA TYR A 35 59.712 25.014 5.604 1.00 0.00 C ATOM 491 C TYR A 35 61.075 25.717 5.721 1.00 0.00 C ATOM 492 O TYR A 35 61.348 26.685 5.038 1.00 0.00 O ATOM 493 CB TYR A 35 58.990 24.961 6.977 1.00 0.00 C ATOM 494 CG TYR A 35 59.198 23.734 7.743 1.00 0.00 C ATOM 495 CD1 TYR A 35 58.501 22.602 7.400 1.00 0.00 C ATOM 496 CD2 TYR A 35 60.051 23.762 8.816 1.00 0.00 C ATOM 497 CE1 TYR A 35 58.661 21.467 8.130 1.00 0.00 C ATOM 498 CE2 TYR A 35 60.234 22.642 9.561 1.00 0.00 C ATOM 499 CZ TYR A 35 59.538 21.462 9.232 1.00 0.00 C ATOM 500 OH TYR A 35 59.709 20.317 9.978 1.00 0.00 O ATOM 0 H TYR A 35 60.387 23.007 5.676 1.00 0.00 H new ATOM 0 HA TYR A 35 59.111 25.599 4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.324 25.807 7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 35 57.920 25.090 6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 35 57.829 22.613 6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 35 60.576 24.672 9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.117 20.572 7.866 1.00 0.00 H new ATOM 0 HE2 TYR A 35 60.911 22.655 10.403 1.00 0.00 H new ATOM 0 HH TYR A 35 60.350 20.489 10.699 1.00 0.00 H new ATOM 510 N HIS A 36 61.912 25.218 6.580 1.00 0.00 N ATOM 511 CA HIS A 36 63.292 25.804 6.804 1.00 0.00 C ATOM 512 C HIS A 36 64.359 25.236 5.830 1.00 0.00 C ATOM 513 O HIS A 36 65.541 25.464 6.016 1.00 0.00 O ATOM 514 CB HIS A 36 63.732 25.630 8.285 1.00 0.00 C ATOM 515 CG HIS A 36 63.633 24.205 8.761 1.00 0.00 C ATOM 516 ND1 HIS A 36 63.848 23.850 10.079 1.00 0.00 N ATOM 517 CD2 HIS A 36 63.311 23.056 8.114 1.00 0.00 C ATOM 518 CE1 HIS A 36 63.646 22.525 10.177 1.00 0.00 C ATOM 519 NE2 HIS A 36 63.314 21.992 9.003 1.00 0.00 N ATOM 0 H HIS A 36 61.706 24.405 7.161 1.00 0.00 H new ATOM 0 HA HIS A 36 63.218 26.869 6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 36 64.760 25.975 8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 36 63.113 26.264 8.920 1.00 0.00 H new ATOM 0 HD1 HIS A 36 64.112 24.478 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 36 63.085 22.981 7.060 1.00 0.00 H new ATOM 0 HE1 HIS A 36 63.741 21.963 11.094 1.00 0.00 H new ATOM 527 N CYS A 37 63.944 24.506 4.798 1.00 0.00 N ATOM 528 CA CYS A 37 64.895 23.909 3.769 1.00 0.00 C ATOM 529 C CYS A 37 65.641 22.669 4.294 1.00 0.00 C ATOM 530 O CYS A 37 66.237 21.944 3.520 1.00 0.00 O ATOM 531 CB CYS A 37 65.897 24.955 3.246 1.00 0.00 C ATOM 532 SG CYS A 37 66.441 24.480 1.581 1.00 0.00 S ATOM 0 H CYS A 37 62.962 24.294 4.622 1.00 0.00 H new ATOM 0 HA CYS A 37 64.269 23.583 2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 37 65.433 25.941 3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 37 66.754 25.022 3.916 1.00 0.00 H new ATOM 0 HG CYS A 37 66.481 23.184 1.491 1.00 0.00 H new ATOM 538 N GLN A 38 65.545 22.365 5.567 1.00 0.00 N ATOM 539 CA GLN A 38 66.168 21.122 6.108 1.00 0.00 C ATOM 540 C GLN A 38 65.327 19.955 5.555 1.00 0.00 C ATOM 541 O GLN A 38 65.858 18.961 5.125 1.00 0.00 O ATOM 542 CB GLN A 38 66.184 21.205 7.658 1.00 0.00 C ATOM 543 CG GLN A 38 65.526 19.972 8.310 1.00 0.00 C ATOM 544 CD GLN A 38 66.142 19.702 9.682 1.00 0.00 C ATOM 545 OE1 GLN A 38 65.891 20.415 10.626 1.00 0.00 O ATOM 546 NE2 GLN A 38 66.942 18.693 9.839 1.00 0.00 N ATOM 0 H GLN A 38 65.056 22.933 6.259 1.00 0.00 H new ATOM 0 HA GLN A 38 67.206 20.981 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 38 67.213 21.293 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 38 65.661 22.106 7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 38 64.453 20.136 8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 65.656 19.101 7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 38 67.159 18.086 9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 38 67.354 18.506 10.753 1.00 0.00 H new ATOM 555 N LEU A 39 64.019 20.118 5.488 1.00 0.00 N ATOM 556 CA LEU A 39 63.157 19.065 4.870 1.00 0.00 C ATOM 557 C LEU A 39 63.528 18.964 3.372 1.00 0.00 C ATOM 558 O LEU A 39 63.528 17.887 2.811 1.00 0.00 O ATOM 559 CB LEU A 39 61.673 19.437 5.069 1.00 0.00 C ATOM 560 CG LEU A 39 61.133 18.875 6.402 1.00 0.00 C ATOM 561 CD1 LEU A 39 61.346 17.359 6.475 1.00 0.00 C ATOM 562 CD2 LEU A 39 61.848 19.537 7.585 1.00 0.00 C ATOM 0 H LEU A 39 63.519 20.936 5.836 1.00 0.00 H new ATOM 0 HA LEU A 39 63.317 18.095 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 39 61.562 20.521 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 39 61.083 19.046 4.240 1.00 0.00 H new ATOM 0 HG LEU A 39 60.066 19.091 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 39 60.959 16.982 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 39 60.820 16.878 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 39 62.411 17.137 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 61.458 19.132 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 39 62.918 19.337 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 39 61.678 20.613 7.557 1.00 0.00 H new ATOM 574 N CYS A 40 63.938 20.074 2.754 1.00 0.00 N ATOM 575 CA CYS A 40 64.422 20.036 1.333 1.00 0.00 C ATOM 576 C CYS A 40 65.785 19.300 1.318 1.00 0.00 C ATOM 577 O CYS A 40 66.077 18.584 0.377 1.00 0.00 O ATOM 578 CB CYS A 40 64.504 21.482 0.767 1.00 0.00 C ATOM 579 SG CYS A 40 66.208 21.987 0.381 1.00 0.00 S ATOM 0 H CYS A 40 63.953 20.999 3.185 1.00 0.00 H new ATOM 0 HA CYS A 40 63.733 19.494 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 40 63.896 21.550 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 40 64.079 22.176 1.492 1.00 0.00 H new ATOM 0 HG CYS A 40 66.278 23.285 0.341 1.00 0.00 H new ATOM 585 N PHE A 41 66.574 19.395 2.390 1.00 0.00 N ATOM 586 CA PHE A 41 67.841 18.617 2.482 1.00 0.00 C ATOM 587 C PHE A 41 67.422 17.170 2.575 1.00 0.00 C ATOM 588 O PHE A 41 67.909 16.368 1.814 1.00 0.00 O ATOM 589 CB PHE A 41 68.640 19.122 3.723 1.00 0.00 C ATOM 590 CG PHE A 41 69.203 18.063 4.628 1.00 0.00 C ATOM 591 CD1 PHE A 41 70.478 17.589 4.401 1.00 0.00 C ATOM 592 CD2 PHE A 41 68.513 17.674 5.780 1.00 0.00 C ATOM 593 CE1 PHE A 41 71.080 16.751 5.311 1.00 0.00 C ATOM 594 CE2 PHE A 41 69.095 16.804 6.673 1.00 0.00 C ATOM 595 CZ PHE A 41 70.393 16.345 6.459 1.00 0.00 C ATOM 0 H PHE A 41 66.377 19.986 3.198 1.00 0.00 H new ATOM 0 HA PHE A 41 68.504 18.738 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 41 69.463 19.744 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 41 67.986 19.764 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 41 71.007 17.877 3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 41 67.521 18.057 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 41 72.088 16.405 5.138 1.00 0.00 H new ATOM 0 HE2 PHE A 41 68.544 16.476 7.542 1.00 0.00 H new ATOM 0 HZ PHE A 41 70.863 15.683 7.172 1.00 0.00 H new ATOM 605 N LEU A 42 66.459 16.849 3.434 1.00 0.00 N ATOM 606 CA LEU A 42 65.957 15.449 3.505 1.00 0.00 C ATOM 607 C LEU A 42 65.412 15.043 2.122 1.00 0.00 C ATOM 608 O LEU A 42 65.515 13.901 1.752 1.00 0.00 O ATOM 609 CB LEU A 42 64.858 15.354 4.578 1.00 0.00 C ATOM 610 CG LEU A 42 65.378 14.683 5.850 1.00 0.00 C ATOM 611 CD1 LEU A 42 66.479 15.534 6.452 1.00 0.00 C ATOM 612 CD2 LEU A 42 64.238 14.548 6.858 1.00 0.00 C ATOM 0 H LEU A 42 66.013 17.503 4.077 1.00 0.00 H new ATOM 0 HA LEU A 42 66.764 14.770 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 42 64.491 16.353 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 42 64.012 14.789 4.186 1.00 0.00 H new ATOM 0 HG LEU A 42 65.768 13.695 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 66.852 15.058 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 67.293 15.636 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 42 66.084 16.520 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.609 14.070 7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 42 63.849 15.537 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 42 63.441 13.941 6.427 1.00 0.00 H new ATOM 624 N ARG A 43 64.882 15.981 1.333 1.00 0.00 N ATOM 625 CA ARG A 43 64.406 15.633 -0.040 1.00 0.00 C ATOM 626 C ARG A 43 65.624 15.204 -0.918 1.00 0.00 C ATOM 627 O ARG A 43 65.456 14.398 -1.819 1.00 0.00 O ATOM 628 CB ARG A 43 63.668 16.852 -0.641 1.00 0.00 C ATOM 629 CG ARG A 43 63.340 16.631 -2.128 1.00 0.00 C ATOM 630 CD ARG A 43 62.792 17.927 -2.747 1.00 0.00 C ATOM 631 NE ARG A 43 63.794 19.046 -2.603 1.00 0.00 N ATOM 632 CZ ARG A 43 64.980 18.957 -3.131 1.00 0.00 C ATOM 633 NH1 ARG A 43 65.129 19.066 -4.416 1.00 0.00 N ATOM 634 NH2 ARG A 43 66.006 18.764 -2.367 1.00 0.00 N ATOM 0 H ARG A 43 64.767 16.960 1.594 1.00 0.00 H new ATOM 0 HA ARG A 43 63.709 14.796 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.747 17.032 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 43 64.285 17.744 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 43 64.235 16.314 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 43 62.607 15.831 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 62.566 17.766 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.857 18.203 -2.259 1.00 0.00 H new ATOM 0 HE ARG A 43 63.538 19.886 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 43 64.316 19.222 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 43 66.059 18.996 -4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 43 65.882 18.683 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 43 66.939 18.693 -2.774 1.00 0.00 H new ATOM 648 N SER A 44 66.846 15.717 -0.678 1.00 0.00 N ATOM 649 CA SER A 44 68.012 15.283 -1.542 1.00 0.00 C ATOM 650 C SER A 44 69.354 15.152 -0.750 1.00 0.00 C ATOM 651 O SER A 44 70.376 15.589 -1.247 1.00 0.00 O ATOM 652 CB SER A 44 68.166 16.290 -2.701 1.00 0.00 C ATOM 653 OG SER A 44 68.468 17.592 -2.191 1.00 0.00 O ATOM 0 H SER A 44 67.067 16.392 0.054 1.00 0.00 H new ATOM 0 HA SER A 44 67.792 14.285 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 44 68.959 15.962 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 44 67.247 16.325 -3.286 1.00 0.00 H new ATOM 0 HG SER A 44 68.872 18.135 -2.900 1.00 0.00 H new ATOM 659 N LEU A 45 69.373 14.539 0.452 1.00 0.00 N ATOM 660 CA LEU A 45 70.675 14.330 1.244 1.00 0.00 C ATOM 661 C LEU A 45 71.649 13.434 0.410 1.00 0.00 C ATOM 662 O LEU A 45 71.781 12.239 0.667 1.00 0.00 O ATOM 663 CB LEU A 45 70.299 13.546 2.505 1.00 0.00 C ATOM 664 CG LEU A 45 70.270 14.393 3.731 1.00 0.00 C ATOM 665 CD1 LEU A 45 68.861 14.859 3.911 1.00 0.00 C ATOM 666 CD2 LEU A 45 70.645 13.557 4.944 1.00 0.00 C ATOM 0 H LEU A 45 68.540 14.176 0.915 1.00 0.00 H new ATOM 0 HA LEU A 45 71.148 15.286 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.320 13.088 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 45 71.012 12.734 2.648 1.00 0.00 H new ATOM 0 HG LEU A 45 70.968 15.225 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 45 68.796 15.485 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 45 68.554 15.436 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 45 68.204 13.997 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 45 70.622 14.181 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 45 69.934 12.738 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 45 71.648 13.151 4.810 1.00 0.00 H new ATOM 678 N GLY A 46 72.234 13.961 -0.660 1.00 0.00 N ATOM 679 CA GLY A 46 73.076 13.108 -1.590 1.00 0.00 C ATOM 680 C GLY A 46 72.192 11.954 -2.177 1.00 0.00 C ATOM 681 O GLY A 46 72.704 11.009 -2.738 1.00 0.00 O ATOM 0 H GLY A 46 72.164 14.943 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 46 73.479 13.719 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 46 73.926 12.692 -1.050 1.00 0.00 H new ATOM 685 N ILE A 47 70.859 12.042 -2.002 1.00 0.00 N ATOM 686 CA ILE A 47 69.828 11.033 -2.441 1.00 0.00 C ATOM 687 C ILE A 47 70.019 9.593 -1.880 1.00 0.00 C ATOM 688 O ILE A 47 69.031 8.882 -1.782 1.00 0.00 O ATOM 689 CB ILE A 47 69.489 11.079 -3.950 1.00 0.00 C ATOM 690 CG1 ILE A 47 70.346 12.103 -4.740 1.00 0.00 C ATOM 691 CG2 ILE A 47 68.005 11.489 -4.049 1.00 0.00 C ATOM 692 CD1 ILE A 47 69.981 13.545 -4.344 1.00 0.00 C ATOM 0 H ILE A 47 70.436 12.843 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 47 68.923 11.381 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 47 69.697 10.103 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.404 11.925 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.191 11.965 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 47 67.710 11.538 -5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 47 67.389 10.753 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 47 67.866 12.467 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.595 14.245 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.929 13.727 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.161 13.686 -3.278 1.00 0.00 H new ATOM 704 N ASP A 48 71.194 9.182 -1.389 1.00 0.00 N ATOM 705 CA ASP A 48 71.300 7.838 -0.708 1.00 0.00 C ATOM 706 C ASP A 48 70.501 7.952 0.607 1.00 0.00 C ATOM 707 O ASP A 48 69.940 6.977 1.066 1.00 0.00 O ATOM 708 CB ASP A 48 72.767 7.471 -0.412 1.00 0.00 C ATOM 709 CG ASP A 48 72.817 6.169 0.406 1.00 0.00 C ATOM 710 OD1 ASP A 48 72.608 5.115 -0.169 1.00 0.00 O ATOM 711 OD2 ASP A 48 73.021 6.253 1.604 1.00 0.00 O ATOM 0 H ASP A 48 72.062 9.715 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 48 70.905 7.052 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.317 7.348 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.250 8.278 0.139 1.00 0.00 H new ATOM 716 N TYR A 49 70.366 9.157 1.182 1.00 0.00 N ATOM 717 CA TYR A 49 69.519 9.287 2.379 1.00 0.00 C ATOM 718 C TYR A 49 68.027 9.083 1.929 1.00 0.00 C ATOM 719 O TYR A 49 67.170 8.839 2.731 1.00 0.00 O ATOM 720 CB TYR A 49 69.701 10.656 3.070 1.00 0.00 C ATOM 721 CG TYR A 49 68.507 10.913 3.902 1.00 0.00 C ATOM 722 CD1 TYR A 49 68.271 10.139 5.006 1.00 0.00 C ATOM 723 CD2 TYR A 49 67.575 11.817 3.463 1.00 0.00 C ATOM 724 CE1 TYR A 49 67.094 10.265 5.681 1.00 0.00 C ATOM 725 CE2 TYR A 49 66.405 11.973 4.119 1.00 0.00 C ATOM 726 CZ TYR A 49 66.131 11.191 5.250 1.00 0.00 C ATOM 727 OH TYR A 49 64.937 11.325 5.923 1.00 0.00 O ATOM 0 H TYR A 49 70.808 10.017 0.858 1.00 0.00 H new ATOM 0 HA TYR A 49 69.807 8.535 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 49 70.601 10.655 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 49 69.824 11.444 2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 49 69.015 9.431 5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 49 67.778 12.410 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 49 66.902 9.652 6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 49 65.683 12.698 3.774 1.00 0.00 H new ATOM 0 HH TYR A 49 64.391 12.012 5.487 1.00 0.00 H new ATOM 737 N LEU A 50 67.687 9.166 0.665 1.00 0.00 N ATOM 738 CA LEU A 50 66.250 8.919 0.296 1.00 0.00 C ATOM 739 C LEU A 50 66.066 7.434 0.078 1.00 0.00 C ATOM 740 O LEU A 50 65.018 6.885 0.379 1.00 0.00 O ATOM 741 CB LEU A 50 65.769 9.906 -0.754 1.00 0.00 C ATOM 742 CG LEU A 50 65.627 11.258 0.015 1.00 0.00 C ATOM 743 CD1 LEU A 50 64.724 11.072 1.263 1.00 0.00 C ATOM 744 CD2 LEU A 50 66.992 11.650 0.569 1.00 0.00 C ATOM 0 H LEU A 50 68.316 9.386 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 50 65.547 9.147 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 50 66.481 9.990 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 64.818 9.594 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 50 65.216 11.998 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.633 12.021 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 50 63.736 10.734 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 50 65.168 10.330 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 50 66.908 12.593 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 67.346 10.874 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 50 67.699 11.764 -0.253 1.00 0.00 H new ATOM 756 N ASP A 51 67.183 6.770 -0.159 1.00 0.00 N ATOM 757 CA ASP A 51 67.235 5.327 -0.073 1.00 0.00 C ATOM 758 C ASP A 51 67.018 5.094 1.469 1.00 0.00 C ATOM 759 O ASP A 51 66.271 4.245 1.844 1.00 0.00 O ATOM 760 CB ASP A 51 68.616 4.943 -0.578 1.00 0.00 C ATOM 761 CG ASP A 51 68.586 3.539 -1.193 1.00 0.00 C ATOM 762 OD1 ASP A 51 68.187 2.615 -0.498 1.00 0.00 O ATOM 763 OD2 ASP A 51 68.970 3.403 -2.338 1.00 0.00 O ATOM 0 H ASP A 51 68.067 7.211 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 51 66.516 4.743 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 51 68.953 5.666 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 51 69.332 4.973 0.243 1.00 0.00 H new ATOM 768 N ALA A 52 67.582 5.996 2.339 1.00 0.00 N ATOM 769 CA ALA A 52 67.318 6.007 3.847 1.00 0.00 C ATOM 770 C ALA A 52 65.811 6.173 4.044 1.00 0.00 C ATOM 771 O ALA A 52 65.198 5.348 4.705 1.00 0.00 O ATOM 772 CB ALA A 52 68.013 7.221 4.551 1.00 0.00 C ATOM 0 H ALA A 52 68.223 6.729 2.036 1.00 0.00 H new ATOM 0 HA ALA A 52 67.707 5.083 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 52 67.801 7.192 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 52 69.090 7.165 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 52 67.632 8.152 4.131 1.00 0.00 H new ATOM 778 N SER A 53 65.197 7.222 3.456 1.00 0.00 N ATOM 779 CA SER A 53 63.699 7.389 3.603 1.00 0.00 C ATOM 780 C SER A 53 62.953 6.079 3.205 1.00 0.00 C ATOM 781 O SER A 53 61.851 5.830 3.674 1.00 0.00 O ATOM 782 CB SER A 53 63.217 8.534 2.712 1.00 0.00 C ATOM 783 OG SER A 53 61.878 8.874 3.064 1.00 0.00 O ATOM 0 H SER A 53 65.665 7.939 2.902 1.00 0.00 H new ATOM 0 HA SER A 53 63.481 7.614 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 53 63.867 9.401 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 53 63.266 8.240 1.664 1.00 0.00 H new ATOM 0 HG SER A 53 61.567 9.609 2.495 1.00 0.00 H new ATOM 789 N LEU A 54 63.549 5.244 2.351 1.00 0.00 N ATOM 790 CA LEU A 54 62.897 3.964 1.920 1.00 0.00 C ATOM 791 C LEU A 54 63.776 2.701 2.225 1.00 0.00 C ATOM 792 O LEU A 54 63.612 1.684 1.559 1.00 0.00 O ATOM 793 CB LEU A 54 62.639 4.060 0.404 1.00 0.00 C ATOM 794 CG LEU A 54 61.493 5.041 0.122 1.00 0.00 C ATOM 795 CD1 LEU A 54 61.610 5.560 -1.310 1.00 0.00 C ATOM 796 CD2 LEU A 54 60.152 4.327 0.285 1.00 0.00 C ATOM 0 H LEU A 54 64.467 5.409 1.939 1.00 0.00 H new ATOM 0 HA LEU A 54 61.971 3.840 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 54 63.544 4.390 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 54 62.391 3.076 0.007 1.00 0.00 H new ATOM 0 HG LEU A 54 61.552 5.873 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 54 60.797 6.257 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 54 62.565 6.071 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 54 61.552 4.723 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 54 59.341 5.026 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 54 60.095 3.494 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 54 60.062 3.950 1.304 1.00 0.00 H new ATOM 808 N ARG A 55 64.709 2.725 3.205 1.00 0.00 N ATOM 809 CA ARG A 55 65.571 1.488 3.477 1.00 0.00 C ATOM 810 C ARG A 55 64.730 0.222 3.802 1.00 0.00 C ATOM 811 O ARG A 55 65.260 -0.876 3.756 1.00 0.00 O ATOM 812 CB ARG A 55 66.588 1.747 4.605 1.00 0.00 C ATOM 813 CG ARG A 55 67.644 2.740 4.120 1.00 0.00 C ATOM 814 CD ARG A 55 68.492 2.124 2.999 1.00 0.00 C ATOM 815 NE ARG A 55 69.905 2.585 3.135 1.00 0.00 N ATOM 816 CZ ARG A 55 70.410 3.457 2.302 1.00 0.00 C ATOM 817 NH1 ARG A 55 70.835 3.076 1.138 1.00 0.00 N ATOM 818 NH2 ARG A 55 70.482 4.704 2.642 1.00 0.00 N ATOM 0 H ARG A 55 64.900 3.527 3.806 1.00 0.00 H new ATOM 0 HA ARG A 55 66.110 1.293 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 55 66.079 2.141 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 55 67.062 0.812 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.159 3.647 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 55 68.286 3.031 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 55 68.446 1.036 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 55 68.095 2.415 2.026 1.00 0.00 H new ATOM 0 HE ARG A 55 70.485 2.215 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.776 2.094 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.228 3.759 0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 55 70.145 5.003 3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 55 70.875 5.387 1.995 1.00 0.00 H new ATOM 832 N LYS A 56 63.426 0.352 4.066 1.00 0.00 N ATOM 833 CA LYS A 56 62.541 -0.856 4.311 1.00 0.00 C ATOM 834 C LYS A 56 62.679 -1.843 3.115 1.00 0.00 C ATOM 835 O LYS A 56 62.611 -3.044 3.289 1.00 0.00 O ATOM 836 CB LYS A 56 61.068 -0.411 4.431 1.00 0.00 C ATOM 837 CG LYS A 56 60.877 0.502 5.656 1.00 0.00 C ATOM 838 CD LYS A 56 59.994 1.706 5.281 1.00 0.00 C ATOM 839 CE LYS A 56 60.870 2.888 4.843 1.00 0.00 C ATOM 840 NZ LYS A 56 60.041 4.130 4.764 1.00 0.00 N ATOM 0 H LYS A 56 62.942 1.248 4.121 1.00 0.00 H new ATOM 0 HA LYS A 56 62.848 -1.345 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 56 60.767 0.117 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 56 60.424 -1.286 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 56 60.416 -0.058 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 56 61.846 0.849 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 56 59.313 1.430 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 56 59.379 1.995 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 56 61.687 3.029 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 56 61.321 2.679 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 60.664 4.960 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 59.434 4.089 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 59.447 4.206 5.614 1.00 0.00 H new ATOM 854 N LYS A 57 62.911 -1.324 1.913 1.00 0.00 N ATOM 855 CA LYS A 57 63.114 -2.187 0.701 1.00 0.00 C ATOM 856 C LYS A 57 64.626 -2.522 0.553 1.00 0.00 C ATOM 857 O LYS A 57 64.979 -3.608 0.118 1.00 0.00 O ATOM 858 CB LYS A 57 62.607 -1.426 -0.541 1.00 0.00 C ATOM 859 CG LYS A 57 62.769 -2.275 -1.812 1.00 0.00 C ATOM 860 CD LYS A 57 61.856 -3.508 -1.748 1.00 0.00 C ATOM 861 CE LYS A 57 61.422 -3.900 -3.164 1.00 0.00 C ATOM 862 NZ LYS A 57 62.135 -5.144 -3.592 1.00 0.00 N ATOM 0 H LYS A 57 62.967 -0.322 1.729 1.00 0.00 H new ATOM 0 HA LYS A 57 62.559 -3.119 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 57 61.558 -1.162 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 57 63.159 -0.492 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 57 62.524 -1.678 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 63.808 -2.588 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 57 62.381 -4.338 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 60.981 -3.294 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 57 60.344 -4.061 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 57 61.641 -3.089 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 61.564 -5.644 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 63.056 -4.892 -4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 62.281 -5.762 -2.768 1.00 0.00 H new ATOM 876 N ASN A 58 65.516 -1.598 0.922 1.00 0.00 N ATOM 877 CA ASN A 58 67.002 -1.852 0.821 1.00 0.00 C ATOM 878 C ASN A 58 67.459 -2.969 1.799 1.00 0.00 C ATOM 879 O ASN A 58 68.512 -3.542 1.582 1.00 0.00 O ATOM 880 CB ASN A 58 67.774 -0.544 1.092 1.00 0.00 C ATOM 881 CG ASN A 58 69.195 -0.616 0.537 1.00 0.00 C ATOM 882 OD1 ASN A 58 70.009 -1.378 1.000 1.00 0.00 O ATOM 883 ND2 ASN A 58 69.549 0.166 -0.415 1.00 0.00 N ATOM 0 H ASN A 58 65.267 -0.679 1.289 1.00 0.00 H new ATOM 0 HA ASN A 58 67.221 -2.196 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 58 67.245 0.294 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.809 -0.355 2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 58 70.505 0.138 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 58 68.875 0.816 -0.818 1.00 0.00 H new ATOM 890 N LYS A 59 66.674 -3.344 2.815 1.00 0.00 N ATOM 891 CA LYS A 59 67.075 -4.508 3.715 1.00 0.00 C ATOM 892 C LYS A 59 66.815 -5.805 2.884 1.00 0.00 C ATOM 893 O LYS A 59 65.896 -6.567 3.131 1.00 0.00 O ATOM 894 CB LYS A 59 66.264 -4.492 5.040 1.00 0.00 C ATOM 895 CG LYS A 59 64.750 -4.380 4.772 1.00 0.00 C ATOM 896 CD LYS A 59 63.994 -5.495 5.511 1.00 0.00 C ATOM 897 CE LYS A 59 62.871 -6.045 4.619 1.00 0.00 C ATOM 898 NZ LYS A 59 63.372 -7.228 3.854 1.00 0.00 N ATOM 0 H LYS A 59 65.787 -2.900 3.055 1.00 0.00 H new ATOM 0 HA LYS A 59 68.122 -4.446 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 59 66.469 -5.402 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 66.589 -3.654 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 59 64.387 -3.406 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 59 64.557 -4.448 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 59 64.682 -6.296 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 59 63.576 -5.109 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 59 62.014 -6.330 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 59 62.528 -5.273 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 63.001 -7.196 2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 64.412 -7.210 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 63.053 -8.102 4.318 1.00 0.00 H new ATOM 912 N GLN A 60 67.624 -5.959 1.848 1.00 0.00 N ATOM 913 CA GLN A 60 67.557 -7.060 0.808 1.00 0.00 C ATOM 914 C GLN A 60 68.203 -6.495 -0.497 1.00 0.00 C ATOM 915 O GLN A 60 68.794 -7.235 -1.268 1.00 0.00 O ATOM 916 CB GLN A 60 66.101 -7.468 0.483 1.00 0.00 C ATOM 917 CG GLN A 60 65.780 -8.822 1.135 1.00 0.00 C ATOM 918 CD GLN A 60 64.319 -9.198 0.866 1.00 0.00 C ATOM 919 OE1 GLN A 60 63.413 -8.579 1.385 1.00 0.00 O ATOM 920 NE2 GLN A 60 64.044 -10.193 0.077 1.00 0.00 N ATOM 0 H GLN A 60 68.390 -5.310 1.670 1.00 0.00 H new ATOM 0 HA GLN A 60 68.073 -7.940 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 60 65.411 -6.707 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 60 65.964 -7.533 -0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 60 66.442 -9.592 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 60 65.959 -8.770 2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 60 64.799 -10.719 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 60 63.073 -10.449 -0.102 1.00 0.00 H new ATOM 929 N ARG A 61 68.083 -5.167 -0.730 1.00 0.00 N ATOM 930 CA ARG A 61 68.669 -4.485 -1.944 1.00 0.00 C ATOM 931 C ARG A 61 70.136 -4.882 -2.189 1.00 0.00 C ATOM 932 O ARG A 61 70.566 -4.897 -3.321 1.00 0.00 O ATOM 933 CB ARG A 61 68.612 -2.970 -1.805 1.00 0.00 C ATOM 934 CG ARG A 61 67.305 -2.452 -2.449 1.00 0.00 C ATOM 935 CD ARG A 61 67.509 -1.022 -2.955 1.00 0.00 C ATOM 936 NE ARG A 61 68.561 -1.027 -4.023 1.00 0.00 N ATOM 937 CZ ARG A 61 68.277 -1.449 -5.219 1.00 0.00 C ATOM 938 NH1 ARG A 61 68.366 -2.712 -5.495 1.00 0.00 N ATOM 939 NH2 ARG A 61 67.923 -0.605 -6.132 1.00 0.00 N ATOM 0 H ARG A 61 67.589 -4.533 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 61 68.063 -4.813 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 61 68.651 -2.687 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 61 69.476 -2.515 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 61 67.013 -3.102 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 61 66.495 -2.478 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 61 66.574 -0.625 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 61 67.810 -0.371 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 61 69.503 -0.698 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 68.658 -3.372 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 61 68.144 -3.046 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.867 0.390 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 61 67.700 -0.934 -7.071 1.00 0.00 H new ATOM 953 N LEU A 62 70.897 -5.203 -1.142 1.00 0.00 N ATOM 954 CA LEU A 62 72.345 -5.628 -1.313 1.00 0.00 C ATOM 955 C LEU A 62 72.462 -6.701 -2.429 1.00 0.00 C ATOM 956 O LEU A 62 73.387 -6.672 -3.218 1.00 0.00 O ATOM 957 CB LEU A 62 72.909 -6.179 0.021 1.00 0.00 C ATOM 958 CG LEU A 62 71.946 -7.196 0.673 1.00 0.00 C ATOM 959 CD1 LEU A 62 72.675 -8.516 0.917 1.00 0.00 C ATOM 960 CD2 LEU A 62 71.449 -6.647 2.012 1.00 0.00 C ATOM 0 H LEU A 62 70.573 -5.188 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 62 72.930 -4.755 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 62 73.872 -6.655 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 62 73.086 -5.353 0.710 1.00 0.00 H new ATOM 0 HG LEU A 62 71.101 -7.363 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 62 71.991 -9.230 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.032 -8.915 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.523 -8.346 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 62 70.770 -7.366 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 62 72.299 -6.478 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 62 70.924 -5.706 1.847 1.00 0.00 H new ATOM 972 N LYS A 63 71.497 -7.606 -2.522 1.00 0.00 N ATOM 973 CA LYS A 63 71.498 -8.643 -3.606 1.00 0.00 C ATOM 974 C LYS A 63 70.587 -8.182 -4.778 1.00 0.00 C ATOM 975 O LYS A 63 70.841 -8.534 -5.921 1.00 0.00 O ATOM 976 CB LYS A 63 70.994 -9.983 -3.038 1.00 0.00 C ATOM 977 CG LYS A 63 72.125 -11.024 -3.071 1.00 0.00 C ATOM 978 CD LYS A 63 72.123 -11.765 -4.423 1.00 0.00 C ATOM 979 CE LYS A 63 73.386 -11.412 -5.230 1.00 0.00 C ATOM 980 NZ LYS A 63 73.123 -10.246 -6.137 1.00 0.00 N ATOM 0 H LYS A 63 70.705 -7.664 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 63 72.513 -8.774 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 63 70.644 -9.846 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 63 70.144 -10.338 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 63 73.086 -10.533 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 63 71.998 -11.737 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.080 -12.841 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.233 -11.495 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 63 74.204 -11.174 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 63 73.701 -12.274 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.113 -10.570 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 72.202 -9.824 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.871 -9.534 -6.013 1.00 0.00 H new ATOM 994 N ALA A 64 69.540 -7.397 -4.506 1.00 0.00 N ATOM 995 CA ALA A 64 68.620 -6.904 -5.601 1.00 0.00 C ATOM 996 C ALA A 64 69.318 -5.840 -6.479 1.00 0.00 C ATOM 997 O ALA A 64 69.003 -5.720 -7.649 1.00 0.00 O ATOM 998 CB ALA A 64 67.343 -6.313 -4.975 1.00 0.00 C ATOM 0 H ALA A 64 69.290 -7.081 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 64 68.359 -7.749 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 64 66.681 -5.958 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 64 66.834 -7.081 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 64 67.609 -5.481 -4.323 1.00 0.00 H new ATOM 1004 N ILE A 65 70.284 -5.105 -5.947 1.00 0.00 N ATOM 1005 CA ILE A 65 71.034 -4.091 -6.771 1.00 0.00 C ATOM 1006 C ILE A 65 71.769 -4.823 -7.930 1.00 0.00 C ATOM 1007 O ILE A 65 71.891 -4.289 -9.017 1.00 0.00 O ATOM 1008 CB ILE A 65 72.012 -3.300 -5.867 1.00 0.00 C ATOM 1009 CG1 ILE A 65 72.562 -2.081 -6.625 1.00 0.00 C ATOM 1010 CG2 ILE A 65 73.174 -4.184 -5.420 1.00 0.00 C ATOM 1011 CD1 ILE A 65 71.820 -0.819 -6.177 1.00 0.00 C ATOM 0 H ILE A 65 70.583 -5.168 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 65 70.344 -3.370 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 65 71.464 -2.967 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 65 73.630 -1.974 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 65 72.442 -2.224 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 65 73.847 -3.607 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 65 72.789 -5.035 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.717 -4.542 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 65 72.212 0.044 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 65 70.756 -0.927 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 65 71.963 -0.674 -5.106 1.00 0.00 H new ATOM 1023 N GLN A 66 72.201 -6.064 -7.707 1.00 0.00 N ATOM 1024 CA GLN A 66 72.861 -6.868 -8.795 1.00 0.00 C ATOM 1025 C GLN A 66 71.854 -7.916 -9.368 1.00 0.00 C ATOM 1026 O GLN A 66 72.247 -8.805 -10.107 1.00 0.00 O ATOM 1027 CB GLN A 66 74.104 -7.601 -8.249 1.00 0.00 C ATOM 1028 CG GLN A 66 75.020 -6.637 -7.460 1.00 0.00 C ATOM 1029 CD GLN A 66 75.045 -6.989 -5.963 1.00 0.00 C ATOM 1030 OE1 GLN A 66 74.553 -8.020 -5.541 1.00 0.00 O ATOM 1031 NE2 GLN A 66 75.614 -6.175 -5.133 1.00 0.00 N ATOM 0 H GLN A 66 72.120 -6.547 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 66 73.170 -6.186 -9.587 1.00 0.00 H new ATOM 0 HB2 GLN A 66 73.791 -8.421 -7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 66 74.662 -8.042 -9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 66 76.032 -6.682 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 66 74.670 -5.613 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 66 76.030 -5.308 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 66 75.646 -6.401 -4.139 1.00 0.00 H new ATOM 1040 N GLN A 67 70.559 -7.819 -9.040 1.00 0.00 N ATOM 1041 CA GLN A 67 69.537 -8.788 -9.574 1.00 0.00 C ATOM 1042 C GLN A 67 69.190 -8.435 -11.039 1.00 0.00 C ATOM 1043 O GLN A 67 69.837 -7.612 -11.667 1.00 0.00 O ATOM 1044 CB GLN A 67 68.251 -8.679 -8.718 1.00 0.00 C ATOM 1045 CG GLN A 67 67.959 -10.001 -8.002 1.00 0.00 C ATOM 1046 CD GLN A 67 67.639 -11.116 -9.007 1.00 0.00 C ATOM 1047 OE1 GLN A 67 66.736 -10.988 -9.806 1.00 0.00 O ATOM 1048 NE2 GLN A 67 68.346 -12.205 -9.012 1.00 0.00 N ATOM 0 H GLN A 67 70.179 -7.102 -8.422 1.00 0.00 H new ATOM 0 HA GLN A 67 69.941 -9.799 -9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 67 68.364 -7.881 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 67 67.407 -8.411 -9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 67 68.819 -10.288 -7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 67 67.119 -9.871 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 67 69.108 -12.322 -8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 67 68.140 -12.944 -9.684 1.00 0.00 H new ATOM 1057 N GLY A 68 68.139 -9.034 -11.568 1.00 0.00 N ATOM 1058 CA GLY A 68 67.695 -8.725 -12.974 1.00 0.00 C ATOM 1059 C GLY A 68 67.022 -7.328 -13.056 1.00 0.00 C ATOM 1060 O GLY A 68 66.790 -6.838 -14.144 1.00 0.00 O ATOM 0 H GLY A 68 67.568 -9.726 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 68 68.554 -8.758 -13.645 1.00 0.00 H new ATOM 0 HA3 GLY A 68 66.996 -9.489 -13.314 1.00 0.00 H new ATOM 1064 N ARG A 69 66.701 -6.695 -11.916 1.00 0.00 N ATOM 1065 CA ARG A 69 66.036 -5.342 -11.899 1.00 0.00 C ATOM 1066 C ARG A 69 64.670 -5.429 -12.614 1.00 0.00 C ATOM 1067 O ARG A 69 64.477 -4.921 -13.708 1.00 0.00 O ATOM 1068 CB ARG A 69 66.956 -4.279 -12.545 1.00 0.00 C ATOM 1069 CG ARG A 69 67.000 -3.023 -11.658 1.00 0.00 C ATOM 1070 CD ARG A 69 65.731 -2.183 -11.865 1.00 0.00 C ATOM 1071 NE ARG A 69 65.861 -0.896 -11.102 1.00 0.00 N ATOM 1072 CZ ARG A 69 64.821 -0.155 -10.866 1.00 0.00 C ATOM 1073 NH1 ARG A 69 64.377 0.651 -11.780 1.00 0.00 N ATOM 1074 NH2 ARG A 69 64.243 -0.215 -9.709 1.00 0.00 N ATOM 0 H ARG A 69 66.882 -7.080 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 69 65.861 -5.034 -10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 69 67.961 -4.682 -12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 69 66.589 -4.022 -13.538 1.00 0.00 H new ATOM 0 HG2 ARG A 69 67.087 -3.312 -10.610 1.00 0.00 H new ATOM 0 HG3 ARG A 69 67.882 -2.429 -11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.585 -1.978 -12.926 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.855 -2.735 -11.524 1.00 0.00 H new ATOM 0 HE ARG A 69 66.777 -0.600 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 69 64.845 0.703 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 69 63.560 1.233 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 69 64.605 -0.841 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 69 63.426 0.364 -9.517 1.00 0.00 H new ATOM 1088 N GLN A 70 63.721 -6.084 -11.974 1.00 0.00 N ATOM 1089 CA GLN A 70 62.344 -6.246 -12.558 1.00 0.00 C ATOM 1090 C GLN A 70 61.580 -4.898 -12.486 1.00 0.00 C ATOM 1091 O GLN A 70 62.179 -3.916 -12.071 1.00 0.00 O ATOM 1092 CB GLN A 70 61.665 -7.391 -11.808 1.00 0.00 C ATOM 1093 CG GLN A 70 62.106 -8.665 -12.513 1.00 0.00 C ATOM 1094 CD GLN A 70 60.963 -9.357 -13.252 1.00 0.00 C ATOM 1095 OE1 GLN A 70 60.178 -8.731 -13.928 1.00 0.00 O ATOM 1096 NE2 GLN A 70 60.847 -10.641 -13.176 1.00 0.00 N ATOM 0 H GLN A 70 63.845 -6.518 -11.060 1.00 0.00 H new ATOM 0 HA GLN A 70 62.369 -6.506 -13.616 1.00 0.00 H new ATOM 0 HB2 GLN A 70 61.961 -7.402 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 70 60.580 -7.286 -11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 70 62.899 -8.427 -13.221 1.00 0.00 H new ATOM 0 HG3 GLN A 70 62.528 -9.353 -11.781 1.00 0.00 H new ATOM 0 HE21 GLN A 70 61.502 -11.180 -12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 70 60.100 -11.116 -13.682 1.00 0.00 H new ATOM 1105 N PRO A 71 60.313 -4.835 -12.936 1.00 0.00 N ATOM 1106 CA PRO A 71 59.547 -3.588 -12.958 1.00 0.00 C ATOM 1107 C PRO A 71 59.331 -2.866 -11.638 1.00 0.00 C ATOM 1108 O PRO A 71 58.244 -2.787 -11.090 1.00 0.00 O ATOM 1109 CB PRO A 71 58.302 -3.907 -13.678 1.00 0.00 C ATOM 1110 CG PRO A 71 58.139 -5.387 -13.670 1.00 0.00 C ATOM 1111 CD PRO A 71 59.526 -5.957 -13.463 1.00 0.00 C ATOM 0 HA PRO A 71 60.142 -2.827 -13.464 1.00 0.00 H new ATOM 0 HB2 PRO A 71 57.449 -3.426 -13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 71 58.345 -3.533 -14.701 1.00 0.00 H new ATOM 0 HG2 PRO A 71 57.465 -5.701 -12.873 1.00 0.00 H new ATOM 0 HG3 PRO A 71 57.709 -5.738 -14.608 1.00 0.00 H new ATOM 0 HD2 PRO A 71 59.511 -6.793 -12.764 1.00 0.00 H new ATOM 0 HD3 PRO A 71 59.945 -6.330 -14.398 1.00 0.00 H new ATOM 1119 N GLN A 72 60.406 -2.288 -11.193 1.00 0.00 N ATOM 1120 CA GLN A 72 60.529 -1.444 -9.958 1.00 0.00 C ATOM 1121 C GLN A 72 60.047 -2.085 -8.637 1.00 0.00 C ATOM 1122 O GLN A 72 60.386 -1.603 -7.571 1.00 0.00 O ATOM 1123 CB GLN A 72 59.842 -0.134 -10.249 1.00 0.00 C ATOM 1124 CG GLN A 72 60.574 0.551 -11.421 1.00 0.00 C ATOM 1125 CD GLN A 72 61.005 1.951 -11.053 1.00 0.00 C ATOM 1126 OE1 GLN A 72 62.130 2.154 -10.648 1.00 0.00 O ATOM 1127 NE2 GLN A 72 60.189 2.930 -11.186 1.00 0.00 N ATOM 0 H GLN A 72 61.295 -2.375 -11.685 1.00 0.00 H new ATOM 0 HA GLN A 72 61.592 -1.309 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 72 58.795 -0.303 -10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 72 59.857 0.506 -9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 72 61.446 -0.039 -11.703 1.00 0.00 H new ATOM 0 HG3 GLN A 72 59.919 0.586 -12.291 1.00 0.00 H new ATOM 0 HE21 GLN A 72 59.242 2.762 -11.526 1.00 0.00 H new ATOM 0 HE22 GLN A 72 60.486 3.877 -10.951 1.00 0.00 H new ATOM 1136 N TYR A 73 59.343 -3.180 -8.692 1.00 0.00 N ATOM 1137 CA TYR A 73 58.907 -3.900 -7.484 1.00 0.00 C ATOM 1138 C TYR A 73 60.113 -4.640 -6.902 1.00 0.00 C ATOM 1139 O TYR A 73 60.281 -4.743 -5.700 1.00 0.00 O ATOM 1140 CB TYR A 73 57.758 -4.838 -7.871 1.00 0.00 C ATOM 1141 CG TYR A 73 58.150 -5.999 -8.783 1.00 0.00 C ATOM 1142 CD1 TYR A 73 58.866 -7.089 -8.273 1.00 0.00 C ATOM 1143 CD2 TYR A 73 57.718 -6.022 -10.117 1.00 0.00 C ATOM 1144 CE1 TYR A 73 59.162 -8.179 -9.087 1.00 0.00 C ATOM 1145 CE2 TYR A 73 57.999 -7.131 -10.918 1.00 0.00 C ATOM 1146 CZ TYR A 73 58.723 -8.205 -10.403 1.00 0.00 C ATOM 1147 OH TYR A 73 58.988 -9.300 -11.187 1.00 0.00 O ATOM 0 H TYR A 73 59.045 -3.615 -9.565 1.00 0.00 H new ATOM 0 HA TYR A 73 58.534 -3.225 -6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 73 57.318 -5.244 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 73 56.983 -4.253 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 73 59.190 -7.084 -7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 73 57.170 -5.185 -10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 73 59.734 -9.006 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 73 57.654 -7.157 -11.941 1.00 0.00 H new ATOM 0 HH TYR A 73 58.422 -9.275 -11.987 1.00 0.00 H new ATOM 1157 N LEU A 74 60.956 -5.113 -7.779 1.00 0.00 N ATOM 1158 CA LEU A 74 62.217 -5.819 -7.361 1.00 0.00 C ATOM 1159 C LEU A 74 63.223 -4.801 -6.760 1.00 0.00 C ATOM 1160 O LEU A 74 63.911 -5.118 -5.802 1.00 0.00 O ATOM 1161 CB LEU A 74 62.838 -6.501 -8.576 1.00 0.00 C ATOM 1162 CG LEU A 74 63.675 -7.698 -8.109 1.00 0.00 C ATOM 1163 CD1 LEU A 74 62.758 -8.780 -7.527 1.00 0.00 C ATOM 1164 CD2 LEU A 74 64.445 -8.273 -9.291 1.00 0.00 C ATOM 0 H LEU A 74 60.828 -5.042 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 74 61.978 -6.566 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.057 -6.833 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 74 63.463 -5.796 -9.124 1.00 0.00 H new ATOM 0 HG LEU A 74 64.374 -7.367 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 63.359 -9.627 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.208 -8.373 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 74 62.054 -9.110 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 74 65.040 -9.124 -8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 74 63.743 -8.599 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 74 65.104 -7.508 -9.703 1.00 0.00 H new ATOM 1176 N LEU A 75 63.284 -3.590 -7.326 1.00 0.00 N ATOM 1177 CA LEU A 75 64.208 -2.484 -6.856 1.00 0.00 C ATOM 1178 C LEU A 75 65.640 -2.701 -7.397 1.00 0.00 C ATOM 1179 O LEU A 75 66.132 -1.805 -8.066 1.00 0.00 O ATOM 1180 CB LEU A 75 64.220 -2.356 -5.307 1.00 0.00 C ATOM 1181 CG LEU A 75 63.843 -0.926 -4.855 1.00 0.00 C ATOM 1182 CD1 LEU A 75 64.797 0.107 -5.461 1.00 0.00 C ATOM 1183 CD2 LEU A 75 62.410 -0.594 -5.283 1.00 0.00 C ATOM 1184 OXT LEU A 75 66.225 -3.741 -7.138 1.00 0.00 O ATOM 0 H LEU A 75 62.706 -3.323 -8.123 1.00 0.00 H new ATOM 0 HA LEU A 75 63.822 -1.547 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 75 63.520 -3.072 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 75 65.210 -2.610 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 75 63.920 -0.889 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 75 64.511 1.105 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 75 65.816 -0.105 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 75 64.743 0.058 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 75 62.158 0.416 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 75 62.331 -0.657 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 75 61.720 -1.304 -4.827 1.00 0.00 H new TER 1196 LEU A 75